#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 2.75 -0.05 0.00 2.12 0.33 -4.91 118.70 118.94 1qf3 s GLU 2 Ca 0.00 -1.11 0.06 0.00 0.36 0.00 0.00 54.97 54.28 1qf3 s GLU 2 Cb 0.00 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1qf3 s GLU 2 CO 0.00 -0.66 -0.22 0.99 -0.54 0.00 0.00 175.26 174.83 1qf3 s THR 3 N 1.48 2.34 -0.11 -1.70 2.01 -1.26 -0.66 115.64 117.74 1qf3 s THR 3 Ca 0.00 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1qf3 s THR 3 Cb -0.19 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.46 1qf3 s THR 3 CO 0.05 0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.68 1qf3 s VAL 4 N -0.36 1.67 -0.12 3.82 1.01 -0.80 -4.98 120.40 120.64 1qf3 s VAL 4 Ca 0.03 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1qf3 s VAL 4 Cb -0.12 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.80 1qf3 s VAL 4 CO 0.02 0.47 0.31 -0.94 0.00 0.00 0.00 175.10 174.96 1qf3 s SER 5 N 0.79 -0.32 0.10 3.32 1.04 -1.26 -1.30 113.70 116.06 1qf3 s SER 5 Ca -0.10 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 56.84 1qf3 s SER 5 Cb -0.16 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1qf3 s SER 5 CO 0.01 -0.11 0.25 0.72 0.98 0.00 0.00 173.24 175.09 1qf3 s PHE 6 N 0.19 0.06 -0.09 5.02 -0.12 -0.70 -5.00 117.98 117.34 1qf3 s PHE 6 Ca -0.00 -0.46 -0.04 0.00 -0.05 0.00 0.00 56.93 56.38 1qf3 s PHE 6 Cb -0.02 0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.44 1qf3 s PHE 6 CO 0.00 -0.59 0.19 1.21 -0.05 0.00 0.00 175.22 175.99 1qf3 s ASN 7 N -2.85 0.12 -0.25 1.98 2.47 -1.26 -1.32 114.94 113.84 1qf3 s ASN 7 Ca 0.05 0.41 0.03 0.00 0.42 0.00 0.00 52.86 53.77 1qf3 s ASN 7 Cb 0.04 0.35 0.05 0.00 -1.45 0.00 0.00 41.25 40.24 1qf3 s ASN 7 CO -0.11 -0.19 -0.12 -0.36 -3.72 0.00 0.00 177.10 172.60 1qf3 s PHE 8 N 1.66 3.12 -0.14 0.43 0.08 0.92 -4.94 117.98 119.11 1qf3 s PHE 8 Ca -0.05 -2.18 0.18 0.00 0.12 0.00 0.00 56.93 55.01 1qf3 s PHE 8 Cb -0.11 -1.90 -0.13 0.00 -0.57 0.00 0.00 43.02 40.31 1qf3 s PHE 8 CO -0.07 -0.86 0.80 0.09 -0.10 0.00 0.00 175.22 175.08 1qf3 n ASN 9 N 4.48 0.76 -3.63 1.36 3.02 -1.26 -1.38 115.26 118.60 1qf3 n ASN 9 Ca -0.15 0.32 -0.15 0.00 -0.03 0.00 0.00 54.58 54.57 1qf3 n ASN 9 Cb 0.43 0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.90 1qf3 n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qf3 s SER 10 N -5.60 -0.52 0.14 6.41 1.04 -1.26 -4.69 113.70 109.22 1qf3 s SER 10 Ca -0.03 0.69 0.05 0.00 0.48 0.00 0.00 55.95 57.14 1qf3 s SER 10 Cb 0.09 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 1qf3 s SER 10 CO 0.81 -0.44 0.07 -0.36 0.98 0.00 0.00 173.24 174.31 1qf3 s PHE 11 N -0.76 3.06 -0.01 5.02 0.40 0.02 -5.05 117.98 120.65 1qf3 s PHE 11 Ca -0.08 -0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1qf3 s PHE 11 Cb -0.03 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1qf3 s PHE 11 CO 0.06 0.51 0.05 -1.54 0.70 0.00 0.00 175.22 175.00 1qf3 s SER 12 N -2.83 -0.01 0.07 1.36 1.04 -1.26 -4.47 113.70 107.59 1qf3 s SER 12 Ca 0.29 0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.43 1qf3 s SER 12 Cb -0.10 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 1qf3 s SER 12 CO 0.21 -0.08 1.10 -1.83 0.98 0.00 0.00 173.24 173.62 1qf3 s GLU 13 N -0.26 4.52 0.00 4.02 -1.05 -1.26 -3.21 118.70 121.47 1qf3 s GLU 13 Ca -0.03 1.64 0.00 0.00 -0.15 0.00 0.00 54.97 56.43 1qf3 s GLU 13 Cb -0.02 -3.36 0.00 0.00 -0.44 0.00 0.00 34.13 30.30 1qf3 s GLU 13 CO 0.00 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.53 1qf3 n GLY 14 N 2.80 0.84 3.63 -3.83 0.00 -1.26 -5.06 105.19 102.32 1qf3 n GLY 14 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.84 6.86 0.12 1.61 3.04 -1.20 -4.90 114.94 118.63 1qf3 s ASN 15 Ca 0.00 0.92 0.08 0.00 0.04 0.00 0.00 52.86 53.90 1qf3 s ASN 15 Cb 0.00 -2.53 0.43 0.00 -1.54 0.00 0.00 41.25 37.60 1qf3 s ASN 15 CO 0.00 -0.91 1.23 -0.81 -3.04 0.00 0.00 177.10 173.57 1qf3 n PRO 16 N 6.95 0.05 0.03 0.43 -0.04 -1.26 -1.93 135.00 139.23 1qf3 n PRO 16 Ca 0.11 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 1qf3 n PRO 16 Cb 0.47 -1.67 0.47 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.60 2.55 -2.37 0.55 0.00 -1.26 -4.75 120.51 113.64 1qf3 n ALA 17 Ca -0.01 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1qf3 n ALA 17 Cb 0.02 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.04 2.35 -0.18 0.00 1.01 -0.81 -0.04 121.20 120.48 1qf3 s ILE 18 Ca 0.12 -1.18 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1qf3 s ILE 18 Cb 0.17 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1qf3 s ILE 18 CO 0.59 0.46 -0.10 0.20 0.00 0.00 0.00 174.94 176.09 1qf3 s ASN 19 N -1.02 4.01 -0.11 3.58 0.02 -0.13 -4.75 114.94 116.54 1qf3 s ASN 19 Ca 0.12 -0.41 -0.04 0.00 -1.02 0.00 0.00 52.86 51.50 1qf3 s ASN 19 Cb -0.10 -1.65 -0.04 0.00 0.02 0.00 0.00 41.25 39.48 1qf3 s ASN 19 CO 0.02 0.04 0.05 -0.36 0.02 0.00 0.00 177.10 176.87 1qf3 s PHE 20 N 1.08 3.32 -0.03 2.20 0.40 -1.26 -1.23 117.98 122.46 1qf3 s PHE 20 Ca 0.00 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 1qf3 s PHE 20 Cb -0.15 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.54 1qf3 s PHE 20 CO -0.02 0.53 -0.03 -0.65 0.70 0.00 0.00 175.22 175.75 1qf3 s GLN 21 N -0.81 0.51 2.66 0.44 -0.21 -0.13 -5.01 119.66 117.11 1qf3 s GLN 21 Ca 0.13 -0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.46 1qf3 s GLN 21 Cb -0.12 -0.58 0.00 0.00 1.00 0.00 0.00 33.01 33.31 1qf3 s GLN 21 CO 0.03 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.55 1qf3 n GLY 22 N 3.84 -0.28 0.51 3.09 0.00 -1.26 -0.78 105.19 110.31 1qf3 n GLY 22 Ca -0.24 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 1.13 0.85 -4.77 1.61 8.00 -0.40 -4.90 116.55 118.07 1qf3 n ASP 23 Ca 0.00 -1.65 -0.39 0.00 0.71 0.00 0.00 54.79 53.46 1qf3 n ASP 23 Cb 0.00 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.70 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 -0.98 2.40 -0.04 2.53 1.01 -1.23 -4.25 120.40 119.84 1qf3 s VAL 24 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1qf3 s VAL 24 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1qf3 s VAL 24 CO 0.00 0.04 0.19 0.28 0.00 0.00 0.00 175.10 175.61 1qf3 s THR 25 N -1.26 0.04 -0.32 3.92 -1.32 -0.34 -4.99 115.64 111.36 1qf3 s THR 25 Ca 0.60 -0.32 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 1qf3 s THR 25 Cb -0.40 -0.38 0.02 0.00 -1.51 0.00 0.00 72.50 70.23 1qf3 s THR 25 CO 0.51 -0.17 0.11 -0.69 -2.21 0.00 0.00 174.62 172.17 1qf3 s VAL 26 N -0.62 4.07 0.90 5.08 1.01 -1.26 -0.43 120.40 129.16 1qf3 s VAL 26 Ca -0.07 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1qf3 s VAL 26 Cb -0.04 -3.18 0.13 0.00 0.00 0.00 0.00 36.38 33.30 1qf3 s VAL 26 CO 0.01 -0.03 1.09 -0.76 0.00 0.00 0.00 175.10 175.41 1qf3 s LEU 27 N 1.49 2.20 0.60 3.92 1.43 0.36 -4.92 118.68 123.76 1qf3 s LEU 27 Ca 0.02 1.45 0.37 0.00 -1.03 0.00 0.00 54.13 54.93 1qf3 s LEU 27 Cb -0.18 -3.85 1.94 0.00 0.03 0.00 0.00 46.19 44.13 1qf3 s LEU 27 CO 0.04 -2.67 2.22 0.77 0.23 0.00 0.00 176.35 176.93 1qf3 h SER 28 N -1.57 0.00 -0.10 2.29 4.64 -1.98 -1.66 113.55 115.16 1qf3 h SER 28 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1qf3 h SER 28 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1qf3 h SER 28 CO 0.55 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 1qf3 n ASN 29 N -3.30 1.28 0.00 4.97 0.23 -1.26 -4.90 115.26 112.28 1qf3 n ASN 29 Ca -0.02 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 1qf3 n ASN 29 Cb 0.15 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 1.07 0.87 3.83 4.83 0.00 -0.62 -4.92 105.19 110.26 1qf3 n GLY 30 Ca 0.17 0.00 -0.32 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 -2.60 5.95 -0.20 1.61 0.02 -1.26 -0.80 114.94 117.67 1qf3 s ASN 31 Ca 0.00 1.61 -0.06 0.00 -1.02 0.00 0.00 52.86 53.39 1qf3 s ASN 31 Cb 0.00 -2.50 -0.03 0.00 0.02 0.00 0.00 41.25 38.74 1qf3 s ASN 31 CO 0.00 -1.05 0.03 -0.63 0.02 0.00 0.00 177.10 175.47 1qf3 s ILE 32 N -2.84 4.34 -0.28 0.60 1.01 -0.89 -0.49 121.20 122.65 1qf3 s ILE 32 Ca 0.59 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 1qf3 s ILE 32 Cb -0.13 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1qf3 s ILE 32 CO 0.45 0.43 0.12 -1.58 0.00 0.00 0.00 174.94 174.36 1qf3 s GLN 33 N 0.79 3.60 0.11 2.79 0.74 0.43 -1.45 119.66 126.66 1qf3 s GLN 33 Ca 0.02 -0.53 -0.07 0.00 0.05 0.00 0.00 55.36 54.83 1qf3 s GLN 33 Cb -0.14 -3.47 -0.15 0.00 1.10 0.00 0.00 33.01 30.35 1qf3 s GLN 33 CO 0.02 -0.27 1.26 -0.07 -0.55 0.00 0.00 175.29 175.68 1qf3 h LEU 34 N 8.30 0.62 -9.35 3.68 3.38 -1.37 -0.90 115.31 119.68 1qf3 h LEU 34 Ca -0.36 -0.51 -0.59 0.00 0.09 0.00 0.00 57.88 56.51 1qf3 h LEU 34 Cb 1.17 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 1qf3 h LEU 34 CO 0.59 1.32 -0.71 0.42 0.09 0.00 0.00 178.44 180.14 1qf3 s THR 35 N -3.22 2.76 -0.27 0.22 -4.23 -1.26 -3.05 115.64 106.59 1qf3 s THR 35 Ca -0.07 -2.23 -0.15 0.00 -1.18 0.00 0.00 61.69 58.07 1qf3 s THR 35 Cb 0.08 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1qf3 s THR 35 CO 0.88 -0.37 0.36 0.21 -0.54 0.00 0.00 174.62 175.16 1qf3 s ASN 36 N -3.58 6.23 0.22 3.99 3.84 -1.26 -4.88 114.94 119.50 1qf3 s ASN 36 Ca 0.31 0.24 0.19 0.00 0.21 0.00 0.00 52.86 53.80 1qf3 s ASN 36 Cb -0.05 -2.20 0.88 0.00 -0.55 0.00 0.00 41.25 39.33 1qf3 s ASN 36 CO 0.17 -0.18 1.57 0.18 -2.79 0.00 0.00 177.10 176.04 1qf3 n LEU 37 N 5.31 0.46 -0.76 3.21 4.32 -1.26 -2.78 117.00 125.50 1qf3 n LEU 37 Ca -0.09 0.66 0.07 0.00 -0.02 0.00 0.00 56.01 56.63 1qf3 n LEU 37 Cb 0.51 -0.66 0.19 0.00 -1.62 0.00 0.00 43.42 41.83 1qf3 n LEU 37 CO 0.37 -0.68 0.66 0.59 -1.22 0.00 0.00 177.39 177.11 1qf3 n ASN 38 N -2.07 3.21 -4.43 -1.43 3.02 -1.26 -4.99 115.26 107.31 1qf3 n ASN 38 Ca 0.01 -2.16 -0.31 0.00 -0.03 0.00 0.00 54.58 52.08 1qf3 n ASN 38 Cb 0.11 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.29 2.16 0.25 3.52 1.02 -1.12 -5.11 119.74 119.18 1qf3 s LYS 39 Ca 0.29 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 1qf3 s LYS 39 Cb 0.17 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 1qf3 s LYS 39 CO 0.16 0.56 0.96 0.08 -0.92 0.00 0.00 175.35 176.19 1qf3 s VAL 40 N -0.82 4.03 -1.51 3.17 1.01 -1.26 -3.75 120.40 121.27 1qf3 s VAL 40 Ca 0.13 2.00 -0.10 0.00 0.00 0.00 0.00 61.98 64.01 1qf3 s VAL 40 Cb -0.10 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1qf3 s VAL 40 CO 0.03 0.45 0.80 0.59 0.00 0.00 0.00 175.10 176.96 1qf3 n ASN 41 N 1.36 -3.09 -4.76 3.32 5.03 -1.16 -4.91 115.26 111.05 1qf3 n ASN 41 Ca -0.01 -0.87 -0.37 0.00 0.87 0.00 0.00 54.58 54.19 1qf3 n ASN 41 Cb 0.47 -3.54 0.02 0.00 -1.02 0.00 0.00 39.78 35.71 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 -3.67 5.58 -0.15 6.41 0.15 -1.23 -4.29 113.70 116.49 1qf3 s SER 42 Ca 0.45 2.52 -0.08 0.00 0.70 0.00 0.00 55.95 59.54 1qf3 s SER 42 Cb -0.23 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.52 1qf3 s SER 42 CO 0.86 -1.34 0.36 -0.69 1.20 0.00 0.00 173.24 173.63 1qf3 s VAL 43 N -1.45 -0.05 0.00 4.45 1.01 -1.26 -1.55 120.40 121.54 1qf3 s VAL 43 Ca 0.70 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1qf3 s VAL 43 Cb -0.34 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1qf3 s VAL 43 CO 0.40 0.05 -0.04 -0.83 0.00 0.00 0.00 175.10 174.68 1qf3 s GLY 44 N 1.42 0.19 -0.03 4.51 0.00 -0.99 -1.27 107.32 111.15 1qf3 s GLY 44 Ca -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.36 1qf3 s GLY 44 CO -0.12 -0.21 0.12 0.50 0.00 0.00 0.00 173.10 173.39 1qf3 s ARG 45 N -0.29 0.25 -0.05 2.90 0.52 0.04 -1.71 118.95 120.62 1qf3 s ARG 45 Ca -0.01 -0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1qf3 s ARG 45 Cb -0.03 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.56 1qf3 s ARG 45 CO -0.00 -0.05 -0.13 0.54 0.02 0.00 0.00 175.30 175.68 1qf3 s VAL 46 N -0.46 1.16 0.12 3.52 0.11 -0.54 -0.95 120.40 123.35 1qf3 s VAL 46 Ca -0.05 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1qf3 s VAL 46 Cb -0.04 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1qf3 s VAL 46 CO 0.00 0.35 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.23 1qf3 s LEU 47 N 0.30 2.41 -0.24 2.54 1.43 -0.36 -0.98 118.68 123.77 1qf3 s LEU 47 Ca -0.07 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 51.92 1qf3 s LEU 47 Cb -0.12 -0.52 0.01 0.00 0.03 0.00 0.00 46.19 45.59 1qf3 s LEU 47 CO 0.02 -0.16 1.05 -0.47 0.23 0.00 0.00 176.35 177.02 1qf3 s TYR 48 N -2.19 3.31 0.25 0.29 5.04 -0.28 -0.96 117.35 122.80 1qf3 s TYR 48 Ca 0.09 1.42 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 1qf3 s TYR 48 Cb -0.05 -3.34 0.45 0.00 0.35 0.00 0.00 41.96 39.38 1qf3 s TYR 48 CO 0.03 -0.53 1.63 0.00 -1.34 0.00 0.00 175.55 175.33 1qf3 h ALA 49 N 7.56 0.80 -2.40 3.97 0.00 -0.75 -3.42 119.26 125.01 1qf3 h ALA 49 Ca -0.19 0.25 -0.54 0.00 0.00 0.00 0.00 54.91 54.43 1qf3 h ALA 49 Cb 1.06 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1qf3 h ALA 49 CO 0.99 -0.43 0.49 1.41 0.00 0.00 0.00 179.25 181.71 1qf3 s MET 50 N -6.12 4.48 0.18 0.00 0.00 -1.26 -5.01 119.30 111.58 1qf3 s MET 50 Ca -0.13 1.55 -0.30 0.00 0.00 0.00 0.00 55.69 56.81 1qf3 s MET 50 Cb 0.23 -3.45 -0.08 0.00 0.00 0.00 0.00 34.83 31.53 1qf3 s MET 50 CO 0.76 -0.19 1.18 -1.25 0.00 0.00 0.00 175.02 175.51 1qf3 s PRO 51 N 1.29 4.51 -0.13 4.11 0.04 -1.26 -4.85 135.00 138.70 1qf3 s PRO 51 Ca 0.54 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 63.34 1qf3 s PRO 51 Cb -0.24 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1qf3 s PRO 51 CO 0.26 -0.06 0.16 0.08 0.04 0.00 0.00 177.00 177.48 1qf3 s VAL 52 N -0.07 5.45 -0.57 -0.36 1.01 0.80 -4.87 120.40 121.80 1qf3 s VAL 52 Ca 0.52 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 1qf3 s VAL 52 Cb -0.32 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1qf3 s VAL 52 CO 0.36 0.56 0.82 -0.60 0.00 0.00 0.00 175.10 176.24 1qf3 s ARG 53 N -0.63 3.17 0.19 2.72 3.52 -1.26 -1.13 118.95 125.54 1qf3 s ARG 53 Ca 0.14 -0.75 0.24 0.00 -0.13 0.00 0.00 55.73 55.23 1qf3 s ARG 53 Cb -0.12 -4.14 0.40 0.00 -1.56 0.00 0.00 34.95 29.53 1qf3 s ARG 53 CO 0.03 -1.50 1.42 -0.84 -0.81 0.00 0.00 175.30 173.60 1qf3 h ILE 54 N 5.95 0.00 -2.41 4.11 3.07 -1.57 -3.46 117.51 123.19 1qf3 h ILE 54 Ca -0.28 -0.63 -0.06 0.00 1.55 0.00 0.00 64.86 65.44 1qf3 h ILE 54 Cb 1.08 1.35 -0.18 0.00 -0.27 0.00 0.00 36.82 38.80 1qf3 h ILE 54 CO 1.08 0.00 0.11 -1.66 -1.05 0.00 0.00 178.15 176.62 1qf3 s TRP 55 N -3.19 -0.54 -0.13 0.16 1.48 -1.24 -0.16 118.94 115.32 1qf3 s TRP 55 Ca 0.06 0.79 -0.00 0.00 -1.06 0.00 0.00 56.10 55.89 1qf3 s TRP 55 Cb 0.11 0.38 -0.01 0.00 -1.16 0.00 0.00 33.47 32.79 1qf3 s TRP 55 CO 0.70 -0.62 -0.13 0.45 -4.06 0.00 0.00 176.95 173.28 1qf3 s SER 56 N -1.58 4.00 0.42 -2.66 0.15 -0.65 -4.63 113.70 108.75 1qf3 s SER 56 Ca -0.08 -0.33 0.27 0.00 0.70 0.00 0.00 55.95 56.50 1qf3 s SER 56 Cb -0.01 -1.61 0.75 0.00 -1.71 0.00 0.00 66.02 63.45 1qf3 s SER 56 CO 0.04 0.17 1.75 0.77 1.20 0.00 0.00 173.24 177.16 1qf3 h SER 57 N 6.69 0.00 0.23 5.45 4.64 -1.95 0.32 113.55 128.94 1qf3 h SER 57 Ca -0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1qf3 h SER 57 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1qf3 h SER 57 CO 0.55 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 176.41 1qf3 h ALA 58 N 2.10 -0.30 0.07 5.18 0.00 -1.98 -3.39 119.26 120.93 1qf3 h ALA 58 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 1qf3 h ALA 58 Cb 0.77 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1qf3 h ALA 58 CO 0.00 -0.36 -1.50 1.79 0.00 0.00 0.00 179.25 179.18 1qf3 h THR 59 N -0.92 0.87 0.00 0.00 1.35 -1.98 -3.49 112.91 108.74 1qf3 h THR 59 Ca -0.03 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1qf3 h THR 59 Cb 0.49 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1qf3 h THR 59 CO 0.05 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1qf3 n GLY 60 N 1.68 0.76 3.81 5.82 0.00 0.11 -5.06 105.19 112.31 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 -2.06 6.35 0.10 1.61 0.02 -1.24 -4.82 114.94 114.90 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 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 1qf3 s ASN 61 CO 0.00 -0.78 -0.24 -0.69 0.02 0.00 0.00 177.10 175.41 1qf3 s VAL 62 N -2.26 2.41 0.58 1.60 1.01 -1.26 -1.64 120.40 120.84 1qf3 s VAL 62 Ca 0.64 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1qf3 s VAL 62 Cb -0.14 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1qf3 s VAL 62 CO 0.25 0.17 0.89 0.00 0.00 0.00 0.00 175.10 176.41 1qf3 s ALA 63 N -1.01 3.33 0.14 5.51 0.00 0.78 -4.72 121.76 125.79 1qf3 s ALA 63 Ca 0.14 -0.72 0.09 0.00 0.00 0.00 0.00 51.96 51.47 1qf3 s ALA 63 Cb -0.10 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1qf3 s ALA 63 CO 0.06 -0.78 -0.14 -1.12 0.00 0.00 0.00 175.76 173.78 1qf3 s SER 64 N -4.30 4.08 0.06 0.00 0.01 -0.82 -4.22 113.70 108.50 1qf3 s SER 64 Ca 0.54 -0.55 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 1qf3 s SER 64 Cb -0.10 -0.64 -0.00 0.00 0.21 0.00 0.00 66.02 65.48 1qf3 s SER 64 CO 0.45 0.15 0.18 0.72 0.41 0.00 0.00 173.24 175.15 1qf3 s PHE 65 N -1.36 0.12 -0.05 2.43 -0.12 -1.04 -1.46 117.98 116.49 1qf3 s PHE 65 Ca 0.21 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.63 1qf3 s PHE 65 Cb -0.10 -0.06 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1qf3 s PHE 65 CO 0.12 -0.49 -0.00 -1.17 -0.05 0.00 0.00 175.22 173.64 1qf3 s LEU 66 N -2.50 0.80 -0.03 -1.99 2.96 -0.46 -1.64 118.68 115.82 1qf3 s LEU 66 Ca 0.00 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1qf3 s LEU 66 Cb 0.02 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.35 1qf3 s LEU 66 CO -0.08 -0.15 0.11 0.28 -1.32 0.00 0.00 176.35 175.19 1qf3 s THR 67 N 1.60 0.03 -0.00 3.68 -1.32 -0.57 -1.86 115.64 117.20 1qf3 s THR 67 Ca -0.01 -0.26 -0.01 0.00 -1.21 0.00 0.00 61.69 60.20 1qf3 s THR 67 Cb -0.13 -0.25 -0.00 0.00 -1.51 0.00 0.00 72.50 70.61 1qf3 s THR 67 CO -0.03 -0.14 0.02 -0.94 -2.21 0.00 0.00 174.62 171.32 1qf3 s SER 68 N -0.44 0.06 0.11 8.08 1.04 -0.84 -0.21 113.70 121.50 1qf3 s SER 68 Ca -0.05 -0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 1qf3 s SER 68 Cb -0.03 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1qf3 s SER 68 CO 0.00 -0.15 0.38 0.72 0.98 0.00 0.00 173.24 175.17 1qf3 s PHE 69 N -0.64 -0.17 -0.00 5.02 -0.71 -0.90 -1.40 117.98 119.18 1qf3 s PHE 69 Ca -0.07 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 55.75 1qf3 s PHE 69 Cb -0.04 0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 1qf3 s PHE 69 CO -0.00 -0.67 -0.18 -1.54 -1.34 0.00 0.00 175.22 171.50 1qf3 s SER 70 N -2.70 2.07 0.23 1.98 1.04 -1.15 -1.14 113.70 114.02 1qf3 s SER 70 Ca 0.02 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1qf3 s SER 70 Cb 0.02 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1qf3 s SER 70 CO -0.11 0.20 0.12 0.72 0.98 0.00 0.00 173.24 175.15 1qf3 s PHE 71 N -0.48 1.35 -0.08 5.02 -0.12 -0.61 -1.28 117.98 121.77 1qf3 s PHE 71 Ca 0.06 -1.31 -0.05 0.00 -0.05 0.00 0.00 56.93 55.59 1qf3 s PHE 71 Cb -0.07 -0.71 0.03 0.00 -0.63 0.00 0.00 43.02 41.64 1qf3 s PHE 71 CO -0.00 -0.52 0.19 -2.00 -0.05 0.00 0.00 175.22 172.84 1qf3 s GLU 72 N -4.08 0.18 -0.02 1.99 2.12 -0.76 -1.12 118.70 117.01 1qf3 s GLU 72 Ca 0.38 0.36 0.07 0.00 0.36 0.00 0.00 54.97 56.14 1qf3 s GLU 72 Cb 0.07 -0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 1qf3 s GLU 72 CO 0.13 -0.10 -0.23 -1.64 -0.54 0.00 0.00 175.26 172.89 1qf3 s MET 73 N 0.68 1.88 -0.00 4.30 -1.94 -1.26 -0.70 119.30 122.26 1qf3 s MET 73 Ca -0.05 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.12 1qf3 s MET 73 Cb -0.06 -1.79 -0.00 0.00 2.01 0.00 0.00 34.83 34.98 1qf3 s MET 73 CO -0.04 0.47 0.01 0.21 -0.01 0.00 0.00 175.02 175.67 1qf3 s LYS 74 N -0.48 0.09 0.38 2.03 2.20 -0.90 -1.02 119.74 122.04 1qf3 s LYS 74 Ca 0.07 -0.11 -0.25 0.00 -0.36 0.00 0.00 55.97 55.33 1qf3 s LYS 74 Cb -0.09 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.17 1qf3 s LYS 74 CO -0.00 -0.01 1.03 -0.51 -0.36 0.00 0.00 175.35 175.49 1qf3 s ASP 75 N -0.31 6.89 0.23 1.43 1.11 -1.26 -1.08 116.67 123.67 1qf3 s ASP 75 Ca -0.03 2.01 0.11 0.00 0.18 0.00 0.00 52.55 54.82 1qf3 s ASP 75 Cb -0.02 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1qf3 s ASP 75 CO -0.00 -0.40 -0.21 0.27 1.18 0.00 0.00 175.17 176.01 1qf3 s ILE 76 N -1.64 2.48 0.35 0.77 -4.36 -1.26 -4.89 121.20 112.66 1qf3 s ILE 76 Ca 0.56 -2.15 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 1qf3 s ILE 76 Cb -0.22 -2.24 -0.11 0.00 1.25 0.00 0.00 42.46 41.15 1qf3 s ILE 76 CO 0.27 -0.23 1.39 -0.75 0.24 0.00 0.00 174.94 175.86 1qf3 s LYS 77 N -3.02 4.25 0.00 0.37 2.20 -1.26 -3.58 119.74 118.69 1qf3 s LYS 77 Ca 0.25 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 1qf3 s LYS 77 Cb -0.07 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1qf3 s LYS 77 CO 0.12 -0.34 0.00 -0.25 -0.36 0.00 0.00 175.35 174.52 1qf3 n ASP 78 N 0.67 0.00 -4.81 1.43 8.00 -1.26 -4.97 116.55 115.60 1qf3 n ASP 78 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1qf3 n ASP 78 Cb 0.41 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.06 3.30 0.15 1.24 2.02 -1.23 -5.06 117.35 116.72 1qf3 s TYR 79 Ca 0.00 0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.56 1qf3 s TYR 79 Cb 0.00 -1.69 -0.07 0.00 -0.40 0.00 0.00 41.96 39.79 1qf3 s TYR 79 CO 0.00 0.55 1.19 -0.51 -1.57 0.00 0.00 175.55 175.21 1qf3 s ASP 80 N -2.20 7.10 -0.50 2.29 1.11 -0.63 -4.68 116.67 119.17 1qf3 s ASP 80 Ca 0.28 2.16 -0.27 0.00 0.18 0.00 0.00 52.55 54.90 1qf3 s ASP 80 Cb -0.12 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.26 1qf3 s ASP 80 CO 0.21 -0.38 1.73 -2.84 1.18 0.00 0.00 175.17 175.07 1qf3 s PRO 81 N 0.07 3.03 0.17 8.23 0.02 -1.26 -0.46 135.00 144.80 1qf3 s PRO 81 Ca 0.54 0.86 -0.20 0.00 0.02 0.00 0.00 61.00 62.23 1qf3 s PRO 81 Cb -0.32 -4.26 0.05 0.00 0.02 0.00 0.00 34.50 29.99 1qf3 s PRO 81 CO 0.34 -2.24 0.53 0.00 -0.33 0.00 0.00 177.00 175.30 1qf3 s ALA 82 N 7.63 -1.22 -0.20 -1.55 0.00 -1.26 -4.70 121.76 120.46 1qf3 s ALA 82 Ca 0.68 0.11 0.13 0.00 0.00 0.00 0.00 51.96 52.88 1qf3 s ALA 82 Cb -0.15 0.82 -0.18 0.00 0.00 0.00 0.00 23.12 23.61 1qf3 s ALA 82 CO 0.26 -0.76 0.36 -0.25 0.00 0.00 0.00 175.76 175.37 1qf3 n ASP 83 N -0.33 1.59 0.00 0.00 9.92 -0.54 -3.38 116.55 123.81 1qf3 n ASP 83 Ca -0.14 -0.26 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1qf3 n ASP 83 Cb 0.64 1.40 0.00 0.00 -0.64 0.00 0.00 41.12 42.51 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 1.62 0.97 3.37 0.44 0.00 -1.26 -1.90 105.19 108.42 1qf3 n GLY 84 Ca -0.01 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.05 2.12 -0.04 -0.61 1.01 -1.10 -3.61 121.20 117.92 1qf3 s ILE 85 Ca 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 60.65 58.88 1qf3 s ILE 85 Cb 0.00 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.60 1qf3 s ILE 85 CO 0.00 0.01 0.08 -0.51 0.00 0.00 0.00 174.94 174.52 1qf3 s ILE 86 N -1.21 -0.10 -0.20 2.92 2.07 -0.33 -0.92 121.20 123.43 1qf3 s ILE 86 Ca 0.13 0.29 -0.21 0.00 -1.41 0.00 0.00 60.65 59.44 1qf3 s ILE 86 Cb -0.10 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 1qf3 s ILE 86 CO 0.06 0.12 0.66 0.12 -1.91 0.00 0.00 174.94 173.98 1qf3 s PHE 87 N 1.56 3.36 0.16 3.50 5.36 -0.53 -1.77 117.98 129.62 1qf3 s PHE 87 Ca -0.04 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 56.89 1qf3 s PHE 87 Cb -0.12 -2.83 -0.04 0.00 -0.34 0.00 0.00 43.02 39.68 1qf3 s PHE 87 CO -0.04 -0.21 0.01 -0.59 -1.46 0.00 0.00 175.22 172.93 1qf3 s PHE 88 N 2.05 1.11 -0.09 10.12 -0.71 0.06 -0.66 117.98 129.86 1qf3 s PHE 88 Ca 0.29 -1.07 0.01 0.00 -1.04 0.00 0.00 56.93 55.13 1qf3 s PHE 88 Cb -0.16 -0.64 0.02 0.00 -1.21 0.00 0.00 43.02 41.04 1qf3 s PHE 88 CO 0.10 -0.28 -0.10 0.42 -1.34 0.00 0.00 175.22 174.02 1qf3 s ILE 89 N -3.75 1.08 0.20 -4.49 1.01 0.11 -1.91 121.20 113.45 1qf3 s ILE 89 Ca 0.23 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1qf3 s ILE 89 Cb 0.06 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1qf3 s ILE 89 CO 0.03 0.36 0.29 0.00 0.00 0.00 0.00 174.94 175.62 1qf3 s ALA 90 N 1.15 0.33 0.73 9.38 0.00 -0.76 -1.71 121.76 130.89 1qf3 s ALA 90 Ca -0.05 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 1qf3 s ALA 90 Cb -0.14 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.08 1qf3 s ALA 90 CO -0.02 -0.70 0.87 -2.30 0.00 0.00 0.00 175.76 173.61 1qf3 n PRO 91 N -0.29 0.43 0.33 0.00 -0.02 -1.26 -0.45 135.00 133.74 1qf3 n PRO 91 Ca -0.02 0.20 0.21 0.00 -2.02 0.00 0.00 63.50 61.86 1qf3 n PRO 91 Cb 0.64 -2.13 1.11 0.00 -0.02 0.00 0.00 33.50 33.10 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 -0.34 0.00 -0.57 -0.52 4.11 -1.86 -1.53 114.58 113.87 1qf3 h GLU 92 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1qf3 h GLU 92 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1qf3 h GLU 92 CO 0.46 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.14 1qf3 n ASP 93 N -2.99 3.04 -4.72 3.06 5.68 -1.26 -4.94 116.55 114.41 1qf3 n ASP 93 Ca -0.03 -2.22 -0.42 0.00 -0.50 0.00 0.00 54.79 51.63 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 0.28 -1.33 0.00 0.00 177.20 176.15 1qf3 s THR 94 N -1.65 2.12 0.07 2.12 -1.32 -0.58 -5.02 115.64 111.39 1qf3 s THR 94 Ca 0.32 0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 1qf3 s THR 94 Cb 0.20 -3.06 -0.04 0.00 -1.51 0.00 0.00 72.50 68.10 1qf3 s THR 94 CO 0.17 0.01 -0.06 -1.10 -2.21 0.00 0.00 174.62 171.42 1qf3 s GLN 95 N 1.16 0.70 0.17 7.08 -1.52 -1.26 -5.09 119.66 120.90 1qf3 s GLN 95 Ca 0.74 -1.13 -0.33 0.00 -1.95 0.00 0.00 55.36 52.69 1qf3 s GLN 95 Cb -0.49 -0.17 -0.12 0.00 -0.22 0.00 0.00 33.01 32.00 1qf3 s GLN 95 CO 0.32 -0.01 1.70 -0.89 -0.25 0.00 0.00 175.29 176.16 1qf3 n ILE 96 N 0.47 0.07 -1.54 1.08 5.41 -1.26 -4.85 119.36 118.73 1qf3 n ILE 96 Ca -0.16 -0.01 -0.46 0.00 1.00 0.00 0.00 62.75 63.12 1qf3 n ILE 96 Cb 0.59 -1.86 -0.02 0.00 -0.71 0.00 0.00 39.64 37.63 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 4.10 0.97 -2.00 0.38 -0.02 -1.26 -4.87 135.00 132.30 1qf3 n PRO 97 Ca 0.17 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1qf3 n PRO 97 Cb 0.33 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.86 3.68 -0.75 3.55 0.00 -1.26 -2.15 121.76 123.97 1qf3 s ALA 98 Ca 0.63 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1qf3 s ALA 98 Cb -0.80 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1qf3 s ALA 98 CO 0.57 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1qf3 n GLY 99 N 3.81 0.03 3.68 0.00 0.00 -1.26 -4.95 105.19 106.50 1qf3 n GLY 99 Ca 0.14 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 45.18 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 0.34 3.30 -0.50 1.61 2.88 -0.91 -4.87 113.62 115.47 1qf3 n SER 100 Ca -0.10 1.04 0.09 0.00 -1.33 0.00 0.00 58.87 58.57 1qf3 n SER 100 Cb 0.57 -1.42 0.33 0.00 -0.75 0.00 0.00 64.21 62.93 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 4.05 0.24 -1.60 2.46 -5.35 -1.26 -5.01 119.36 112.89 1qf3 n ILE 101 Ca 0.19 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1qf3 n ILE 101 Cb 0.30 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 1.05 3.29 7.00 3.28 0.00 -1.26 -4.71 105.19 113.85 1qf3 n GLY 102 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.75 0.00 -0.02 0.00 0.71 -2.55 105.19 106.08 1qf3 n GLY 103 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.34 0.17 -0.02 0.00 -1.26 -2.15 105.19 101.59 1qf3 n GLY 104 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.09 0.00 -1.15 2.61 -2.24 -1.06 -4.93 114.28 106.43 1qf3 n THR 105 Ca 0.05 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1qf3 n THR 105 Cb 0.04 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.88 -0.33 -0.24 3.22 4.77 -0.91 -1.82 117.00 120.81 1qf3 n LEU 106 Ca 0.11 0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1qf3 n LEU 106 Cb 0.33 -2.15 -0.01 0.00 -2.33 0.00 0.00 43.42 39.26 1qf3 n LEU 106 CO 0.27 -0.79 -0.03 0.61 -1.33 0.00 0.00 177.39 176.13 1qf3 n GLY 107 N 0.15 0.62 0.00 -0.72 0.00 -1.26 -3.87 105.19 100.12 1qf3 n GLY 107 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.88 0.00 -4.52 1.61 0.24 -0.75 -4.48 118.33 107.55 1qf3 n VAL 108 Ca -0.03 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.34 61.89 1qf3 n VAL 108 Cb 0.12 0.60 -0.10 0.00 -1.47 0.00 0.00 33.84 32.99 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 -1.14 2.90 0.69 -1.34 1.04 -1.15 -4.58 113.70 110.12 1qf3 s SER 109 Ca 0.00 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1qf3 s SER 109 Cb 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1qf3 s SER 109 CO 0.00 -0.60 0.00 -0.90 0.98 0.00 0.00 173.24 172.72 1qf3 n ASP 110 N -0.84 0.00 -0.02 7.02 5.68 -0.02 -4.84 116.55 123.53 1qf3 n ASP 110 Ca -0.04 -0.75 -0.02 0.00 -0.50 0.00 0.00 54.79 53.48 1qf3 n ASP 110 Cb 0.67 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.90 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 -0.69 1.22 0.00 2.12 2.02 -1.94 -1.93 112.91 113.72 1qf3 h THR 111 Ca 0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1qf3 h THR 111 Cb 0.00 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1qf3 h THR 111 CO 0.00 0.31 0.00 0.29 0.37 0.00 0.00 175.52 176.49 1qf3 n LYS 112 N -4.23 0.20 -0.38 6.66 4.76 -1.26 -4.88 118.16 119.04 1qf3 n LYS 112 Ca 0.01 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1qf3 n LYS 112 Cb 0.29 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 1qf3 n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qf3 n GLY 113 N 0.43 0.80 3.96 0.72 0.00 -0.72 -4.95 105.19 105.42 1qf3 n GLY 113 Ca 0.03 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 3.94 0.00 4.61 0.00 -1.26 -1.01 121.76 126.04 1qf3 s ALA 114 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1qf3 s ALA 114 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1qf3 s ALA 114 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1qf3 n GLY 115 N -0.99 -1.20 3.00 0.00 0.00 -1.06 -0.84 105.19 104.09 1qf3 n GLY 115 Ca -0.08 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.44 3.45 0.09 1.61 2.46 -1.26 -4.44 115.29 114.75 1qf3 s HIS 116 Ca 0.00 -3.02 -0.27 0.00 0.47 0.00 0.00 55.06 52.24 1qf3 s HIS 116 Cb 0.00 -2.93 0.09 0.00 -0.13 0.00 0.00 32.58 29.61 1qf3 s HIS 116 CO 0.00 -0.85 1.11 -0.59 -2.47 0.00 0.00 174.74 171.94 1qf3 s PHE 117 N 0.28 -0.07 -0.02 3.88 -0.71 -1.26 -4.53 117.98 115.55 1qf3 s PHE 117 Ca 0.14 -0.16 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 1qf3 s PHE 117 Cb -0.23 0.61 0.02 0.00 -1.21 0.00 0.00 43.02 42.21 1qf3 s PHE 117 CO -0.04 -0.61 -0.00 0.08 -1.34 0.00 0.00 175.22 173.31 1qf3 s VAL 118 N -2.80 0.15 0.17 -2.49 1.01 -0.69 0.49 120.40 116.24 1qf3 s VAL 118 Ca 0.15 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 1qf3 s VAL 118 Cb 0.01 -0.21 0.07 0.00 0.00 0.00 0.00 36.38 36.25 1qf3 s VAL 118 CO 0.00 0.10 1.00 -0.83 0.00 0.00 0.00 175.10 175.38 1qf3 s GLY 119 N 0.63 -0.06 -0.18 4.51 0.00 -0.22 0.06 107.32 112.05 1qf3 s GLY 119 Ca -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.56 1qf3 s GLY 119 CO -0.01 1.05 -0.14 0.14 0.00 0.00 0.00 173.10 174.13 1qf3 s VAL 120 N -2.72 2.62 0.01 1.40 1.01 0.17 -0.38 120.40 122.50 1qf3 s VAL 120 Ca 0.17 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1qf3 s VAL 120 Cb -0.02 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1qf3 s VAL 120 CO 0.04 0.50 0.00 -1.83 0.00 0.00 0.00 175.10 173.81 1qf3 s GLU 121 N 1.15 2.76 -0.75 2.72 -1.05 -0.26 -1.45 118.70 121.82 1qf3 s GLU 121 Ca 0.01 -0.64 0.04 0.00 -0.15 0.00 0.00 54.97 54.23 1qf3 s GLU 121 Cb -0.14 -2.65 0.19 0.00 -0.44 0.00 0.00 34.13 31.08 1qf3 s GLU 121 CO -0.06 0.61 0.58 1.19 0.95 0.00 0.00 175.26 178.54 1qf3 n PHE 122 N 1.30 3.49 -2.67 4.83 3.01 -0.10 -1.72 117.46 125.61 1qf3 n PHE 122 Ca -0.14 -4.26 -0.43 0.00 1.01 0.00 0.00 57.45 53.63 1qf3 n PHE 122 Cb 0.53 -0.74 -0.02 0.00 -0.01 0.00 0.00 39.48 39.24 1qf3 n PHE 122 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1qf3 s ASP 123 N -1.25 7.09 -0.22 4.37 -1.08 -0.78 -2.70 116.67 122.11 1qf3 s ASP 123 Ca 0.26 1.37 0.15 0.00 -0.52 0.00 0.00 52.55 53.81 1qf3 s ASP 123 Cb -0.04 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.57 1qf3 s ASP 123 CO -0.15 -0.67 1.60 0.35 0.52 0.00 0.00 175.17 176.82 1qf3 n THR 124 N 5.32 2.56 -3.66 1.71 -2.24 -0.80 -2.31 114.28 114.87 1qf3 n THR 124 Ca 0.12 -1.66 -0.09 0.00 -2.27 0.00 0.00 64.05 60.15 1qf3 n THR 124 Cb 0.46 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.87 -0.84 4.78 6.14 -1.25 -4.69 117.35 117.79 1qf3 s TYR 125 Ca 0.49 1.79 -0.25 0.00 0.64 0.00 0.00 57.07 59.74 1qf3 s TYR 125 Cb 0.39 0.48 0.05 0.00 0.42 0.00 0.00 41.96 43.29 1qf3 s TYR 125 CO 0.12 -0.45 1.31 0.45 0.64 0.00 0.00 175.55 177.62 1qf3 s SER 126 N 1.51 6.30 -0.58 4.32 0.15 -1.26 -4.98 113.70 119.17 1qf3 s SER 126 Ca -0.10 -0.92 -0.21 0.00 0.70 0.00 0.00 55.95 55.42 1qf3 s SER 126 Cb -0.06 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 1qf3 s SER 126 CO -0.17 -1.65 0.79 0.20 1.20 0.00 0.00 173.24 173.61 1qf3 s ASN 127 N 4.17 6.21 0.56 5.45 -0.87 -1.26 -4.91 114.94 124.29 1qf3 s ASN 127 Ca 0.38 -1.02 0.26 0.00 -1.57 0.00 0.00 52.86 50.91 1qf3 s ASN 127 Cb -0.06 -2.35 1.53 0.00 -0.02 0.00 0.00 41.25 40.36 1qf3 s ASN 127 CO 0.05 -1.16 2.07 0.77 -2.57 0.00 0.00 177.10 176.26 1qf3 h SER 128 N 9.26 0.00 0.90 -1.22 4.64 -1.94 -1.30 113.55 123.88 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 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1qf3 h SER 128 CO 1.08 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 178.09 1qf3 h GLU 129 N 0.00 0.00 -0.30 4.77 9.09 -1.97 -2.35 114.58 123.82 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 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 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 -3.06 0.60 -3.59 2.06 4.01 -0.53 -4.98 117.16 111.68 1qf3 n TYR 130 Ca 0.00 -0.63 -0.23 0.00 -0.16 0.00 0.00 57.90 56.89 1qf3 n TYR 130 Cb 0.28 -0.12 0.08 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.12 -4.89 -4.78 7.72 3.02 -0.88 -4.25 115.26 111.33 1qf3 n ASN 131 Ca 0.14 -0.59 -0.36 0.00 -0.03 0.00 0.00 54.58 53.74 1qf3 n ASN 131 Cb 0.57 -4.92 -0.02 0.00 -0.61 0.00 0.00 39.78 34.81 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 -3.64 6.28 0.73 6.41 1.01 -0.98 -4.89 116.67 121.59 1qf3 s ASP 132 Ca 0.42 2.20 -0.13 0.00 0.71 0.00 0.00 52.55 55.75 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 0.74 -0.84 1.12 -2.84 0.21 0.00 0.00 175.17 173.56 1qf3 s PRO 133 N -2.75 2.38 0.00 8.23 0.02 -1.26 -4.77 135.00 136.84 1qf3 s PRO 133 Ca 0.63 1.36 0.13 0.00 0.02 0.00 0.00 61.00 63.15 1qf3 s PRO 133 Cb -0.26 -1.90 0.77 0.00 0.02 0.00 0.00 34.50 33.14 1qf3 s PRO 133 CO 0.31 -1.57 1.20 -0.35 -0.33 0.00 0.00 177.00 176.25 1qf3 n PRO 134 N -3.01 0.49 -4.39 5.54 -0.04 -1.26 -4.56 135.00 127.78 1qf3 n PRO 134 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1qf3 n PRO 134 Cb 0.52 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.00 0.38 0.71 0.52 -4.23 -1.26 -4.94 115.64 104.82 1qf3 s THR 135 Ca 0.19 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1qf3 s THR 135 Cb 0.09 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1qf3 s THR 135 CO 0.15 0.00 1.20 -1.81 -0.54 0.00 0.00 174.62 173.62 1qf3 s ASP 136 N -3.45 4.38 0.13 3.99 1.01 -1.26 -4.79 116.67 116.69 1qf3 s ASP 136 Ca 0.33 2.33 -0.25 0.00 0.71 0.00 0.00 52.55 55.67 1qf3 s ASP 136 Cb 0.04 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.45 1qf3 s ASP 136 CO 0.18 -2.14 0.83 -1.38 0.21 0.00 0.00 175.17 172.88 1qf3 s HIS 137 N -1.97 -0.28 -0.00 4.23 -3.43 -0.98 -1.54 115.29 111.32 1qf3 s HIS 137 Ca 0.74 0.01 0.05 0.00 -0.80 0.00 0.00 55.06 55.05 1qf3 s HIS 137 Cb -0.29 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 1qf3 s HIS 137 CO 0.44 -0.83 -0.13 0.08 -2.00 0.00 0.00 174.74 172.30 1qf3 s VAL 138 N -3.44 3.19 0.05 -5.38 1.01 -0.61 -1.87 120.40 113.35 1qf3 s VAL 138 Ca 0.08 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1qf3 s VAL 138 Cb -0.02 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.05 1qf3 s VAL 138 CO -0.03 0.44 0.29 -0.83 0.00 0.00 0.00 175.10 174.97 1qf3 s GLY 139 N -1.20 -0.09 -0.26 4.51 0.00 -0.70 -1.11 107.32 108.46 1qf3 s GLY 139 Ca 0.14 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.67 1qf3 s GLY 139 CO 0.04 -0.30 0.16 -0.42 0.00 0.00 0.00 173.10 172.58 1qf3 s ILE 140 N -2.77 5.10 -0.17 0.90 -1.09 -0.30 -1.10 121.20 121.77 1qf3 s ILE 140 Ca -0.03 0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1qf3 s ILE 140 Cb -0.00 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1qf3 s ILE 140 CO -0.05 0.29 -0.05 -1.81 -1.23 0.00 0.00 174.94 172.09 1qf3 s ASP 141 N 1.56 4.49 -0.34 3.58 1.01 0.49 -1.08 116.67 126.38 1qf3 s ASP 141 Ca 0.07 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.11 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 0.08 0.10 0.06 -0.69 0.21 0.00 0.00 175.17 174.94 1qf3 s VAL 142 N 0.74 2.06 -1.90 -1.27 1.01 -1.26 -1.06 120.40 118.72 1qf3 s VAL 142 Ca -0.02 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.73 1qf3 s VAL 142 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1qf3 s VAL 142 CO 0.02 -0.62 0.00 0.59 0.00 0.00 0.00 175.10 175.09 1qf3 n ASN 143 N 4.31 -5.65 -3.61 3.32 3.02 0.18 -4.94 115.26 111.90 1qf3 n ASN 143 Ca 0.03 0.19 -0.05 0.00 -0.03 0.00 0.00 54.58 54.72 1qf3 n ASN 143 Cb 0.42 -4.77 -0.04 0.00 -0.61 0.00 0.00 39.78 34.78 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 -2.37 -0.17 0.00 6.41 0.15 -1.26 -2.58 113.70 113.89 1qf3 s SER 144 Ca 0.00 0.12 0.20 0.00 0.70 0.00 0.00 55.95 56.97 1qf3 s SER 144 Cb 0.00 0.15 0.58 0.00 -1.71 0.00 0.00 66.02 65.04 1qf3 s SER 144 CO 0.00 -0.20 1.46 1.33 1.20 0.00 0.00 173.24 177.03 1qf3 n VAL 145 N 0.35 0.38 -3.06 4.45 0.24 -0.18 -4.43 118.33 116.07 1qf3 n VAL 145 Ca -0.03 -0.51 -0.45 0.00 -2.04 0.00 0.00 64.34 61.32 1qf3 n VAL 145 Cb 0.58 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.41 6.59 0.25 -1.34 -1.08 -1.26 -4.90 116.67 113.52 1qf3 s ASP 146 Ca 0.33 -2.11 -0.30 0.00 -0.52 0.00 0.00 52.55 49.95 1qf3 s ASP 146 Cb 0.18 -2.33 -0.14 0.00 -1.46 0.00 0.00 42.92 39.17 1qf3 s ASP 146 CO 0.26 -0.94 1.19 -1.20 0.52 0.00 0.00 175.17 175.00 1qf3 n SER 147 N 5.82 1.90 -0.01 -0.34 7.64 -1.26 -4.82 113.62 122.56 1qf3 n SER 147 Ca 0.15 1.16 -0.05 0.00 1.01 0.00 0.00 58.87 61.15 1qf3 n SER 147 Cb 0.47 -1.33 0.16 0.00 -1.01 0.00 0.00 64.21 62.50 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 2.52 1.28 -2.41 0.44 2.07 -1.44 -3.45 116.25 115.26 1qf3 h VAL 148 Ca -0.43 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 1qf3 h VAL 148 Cb 1.32 1.39 -0.22 0.00 -1.52 0.00 0.00 31.29 32.25 1qf3 h VAL 148 CO 0.67 0.44 -0.06 -0.75 0.02 0.00 0.00 177.57 177.89 1qf3 s LYS 149 N -4.44 0.69 0.13 1.57 2.20 -1.23 -5.02 119.74 113.64 1qf3 s LYS 149 Ca -0.07 0.65 -0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1qf3 s LYS 149 Cb 0.13 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1qf3 s LYS 149 CO 0.81 -0.11 0.03 0.95 -0.36 0.00 0.00 175.35 176.66 1qf3 s THR 150 N 0.02 0.32 -0.09 3.43 -4.23 -1.26 -1.15 115.64 112.68 1qf3 s THR 150 Ca -0.02 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 1qf3 s THR 150 Cb -0.04 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.84 1qf3 s THR 150 CO 0.02 -0.54 0.21 0.54 -0.54 0.00 0.00 174.62 174.31 1qf3 s VAL 151 N -3.90 -0.03 0.40 2.29 0.11 -0.27 -4.98 120.40 114.02 1qf3 s VAL 151 Ca 0.22 0.11 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 1qf3 s VAL 151 Cb 0.07 -0.32 -0.11 0.00 -1.53 0.00 0.00 36.38 34.49 1qf3 s VAL 151 CO 0.01 0.04 1.09 -2.65 -3.33 0.00 0.00 175.10 170.27 1qf3 n PRO 152 N 3.82 1.55 -4.07 1.54 -0.02 -1.26 -1.57 135.00 134.99 1qf3 n PRO 152 Ca -0.21 0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 1qf3 n PRO 152 Cb 0.54 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.22 1.03 -0.13 6.00 -0.00 -0.59 -4.77 118.94 119.26 1qf3 s TRP 153 Ca 0.61 -1.29 -0.05 0.00 -0.00 0.00 0.00 56.10 55.38 1qf3 s TRP 153 Cb -0.56 -0.01 0.06 0.00 -0.00 0.00 0.00 33.47 32.96 1qf3 s TRP 153 CO 0.58 -1.20 0.25 1.21 -0.00 0.00 0.00 176.95 177.80 1qf3 s ASN 154 N -3.24 0.43 -0.26 5.86 2.47 -1.26 -4.10 114.94 114.84 1qf3 s ASN 154 Ca 0.29 0.54 -0.18 0.00 0.42 0.00 0.00 52.86 53.93 1qf3 s ASN 154 Cb -0.01 0.66 -0.03 0.00 -1.45 0.00 0.00 41.25 40.42 1qf3 s ASN 154 CO 0.20 -0.24 0.51 -0.55 -3.72 0.00 0.00 177.10 173.30 1qf3 s SER 155 N 2.41 6.43 -0.26 -4.21 0.15 -1.26 -5.04 113.70 111.92 1qf3 s SER 155 Ca 0.02 0.52 -0.09 0.00 0.70 0.00 0.00 55.95 57.10 1qf3 s SER 155 Cb -0.12 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1qf3 s SER 155 CO -0.08 -0.29 0.11 -0.69 1.20 0.00 0.00 173.24 173.49 1qf3 s VAL 156 N 2.30 4.67 0.13 4.45 1.01 -1.26 -5.06 120.40 126.64 1qf3 s VAL 156 Ca 0.21 -0.05 -0.33 0.00 0.00 0.00 0.00 61.98 61.82 1qf3 s VAL 156 Cb -0.16 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.90 1qf3 s VAL 156 CO 0.09 0.31 1.73 -0.24 0.00 0.00 0.00 175.10 176.99 1qf3 n SER 157 N 4.95 3.61 -0.02 3.32 2.88 -1.26 -1.97 113.62 125.13 1qf3 n SER 157 Ca -0.15 1.03 -0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1qf3 n SER 157 Cb 0.52 -1.48 -0.00 0.00 -0.75 0.00 0.00 64.21 62.49 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 3.90 0.47 3.73 0.46 0.00 -0.19 -4.94 105.19 108.63 1qf3 n GLY 158 Ca 0.18 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.96 3.65 -0.24 4.61 0.00 -0.83 -5.00 121.76 121.99 1qf3 s ALA 159 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1qf3 s ALA 159 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 21.04 1qf3 s ALA 159 CO 0.00 0.23 0.97 0.08 0.00 0.00 0.00 175.76 177.03 1qf3 s VAL 160 N 0.17 4.72 -0.02 0.00 1.01 -1.26 -4.32 120.40 120.71 1qf3 s VAL 160 Ca 0.08 1.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.89 1qf3 s VAL 160 Cb -0.11 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1qf3 s VAL 160 CO -0.01 -0.17 0.05 -0.69 0.00 0.00 0.00 175.10 174.28 1qf3 s VAL 161 N 3.11 4.52 -0.02 2.92 1.01 -0.28 -4.44 120.40 127.22 1qf3 s VAL 161 Ca 0.41 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1qf3 s VAL 161 Cb -0.15 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1qf3 s VAL 161 CO 0.07 0.40 -0.26 -0.54 0.00 0.00 0.00 175.10 174.77 1qf3 s LYS 162 N -1.55 2.09 0.02 2.72 1.02 -1.13 -1.57 119.74 121.34 1qf3 s LYS 162 Ca 0.20 -0.93 0.03 0.00 0.02 0.00 0.00 55.97 55.29 1qf3 s LYS 162 Cb -0.12 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1qf3 s LYS 162 CO 0.11 0.55 -0.10 0.08 -0.92 0.00 0.00 175.35 175.08 1qf3 s VAL 163 N -0.61 0.76 -0.05 3.17 1.01 -0.29 -0.66 120.40 123.72 1qf3 s VAL 163 Ca 0.10 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1qf3 s VAL 163 Cb -0.10 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1qf3 s VAL 163 CO -0.01 0.02 -0.09 -0.89 0.00 0.00 0.00 175.10 174.13 1qf3 s THR 164 N -0.62 0.83 -0.05 3.92 2.01 -0.47 -2.12 115.64 119.15 1qf3 s THR 164 Ca 0.00 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1qf3 s THR 164 Cb -0.06 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1qf3 s THR 164 CO 0.00 0.28 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.37 1qf3 s VAL 165 N 0.67 1.31 -0.06 3.82 1.01 0.71 -1.01 120.40 126.86 1qf3 s VAL 165 Ca -0.12 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1qf3 s VAL 165 Cb -0.14 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1qf3 s VAL 165 CO 0.02 0.39 -0.15 -0.63 0.00 0.00 0.00 175.10 174.72 1qf3 s ILE 166 N 0.28 1.32 -0.12 2.22 1.01 -0.56 -1.51 121.20 123.84 1qf3 s ILE 166 Ca -0.08 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1qf3 s ILE 166 Cb -0.13 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1qf3 s ILE 166 CO 0.03 0.39 -0.20 -0.47 0.00 0.00 0.00 174.94 174.69 1qf3 s TYR 167 N 0.40 2.41 -0.31 3.97 5.04 -0.65 -1.45 117.35 126.75 1qf3 s TYR 167 Ca -0.11 -1.14 -0.07 0.00 -2.44 0.00 0.00 57.07 53.30 1qf3 s TYR 167 Cb -0.14 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.52 1qf3 s TYR 167 CO 0.04 -0.53 0.11 0.34 -1.34 0.00 0.00 175.55 174.17 1qf3 s ASP 168 N 0.76 5.28 0.20 4.32 2.15 -0.42 -2.50 116.67 126.45 1qf3 s ASP 168 Ca -0.10 -0.81 -0.11 0.00 0.43 0.00 0.00 52.55 51.96 1qf3 s ASP 168 Cb -0.16 -1.91 0.22 0.00 -0.30 0.00 0.00 42.92 40.78 1qf3 s ASP 168 CO 0.00 -0.24 1.74 0.77 -0.17 0.00 0.00 175.17 177.27 1qf3 h SER 169 N 8.27 0.15 -0.01 -0.34 4.64 -1.87 0.51 113.55 124.89 1qf3 h SER 169 Ca -0.29 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1qf3 h SER 169 Cb 1.12 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1qf3 h SER 169 CO 0.61 0.10 -0.25 0.28 -0.87 0.00 0.00 176.83 176.70 1qf3 h SER 170 N 0.34 -0.74 0.64 4.97 0.02 -1.93 -2.75 113.55 114.10 1qf3 h SER 170 Ca 0.27 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1qf3 h SER 170 Cb 0.33 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1qf3 h SER 170 CO -0.30 -0.32 -0.67 0.35 -1.14 0.00 0.00 176.83 174.76 1qf3 n THR 171 N -5.37 0.19 -3.06 -2.27 -2.24 -1.18 -4.95 114.28 95.40 1qf3 n THR 171 Ca -0.05 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 1qf3 n THR 171 Cb 0.28 0.08 0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.86 -5.03 -3.77 -0.78 5.02 0.18 -4.85 118.16 107.07 1qf3 n LYS 172 Ca 0.04 0.81 -0.36 0.00 -2.02 0.00 0.00 58.31 56.78 1qf3 n LYS 172 Cb 0.40 -5.52 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 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 -3.16 5.43 -0.26 -0.18 2.01 -1.07 -0.71 115.64 117.70 1qf3 s THR 173 Ca 0.33 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 1qf3 s THR 173 Cb -0.14 -3.46 0.04 0.00 0.01 0.00 0.00 72.50 68.94 1qf3 s THR 173 CO 0.41 0.52 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.59 1qf3 s LEU 174 N -0.31 3.41 -0.03 4.42 2.96 0.12 -1.31 118.68 127.94 1qf3 s LEU 174 Ca 0.12 -1.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.06 1qf3 s LEU 174 Cb -0.12 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1qf3 s LEU 174 CO 0.02 -0.17 -0.25 -0.94 -1.32 0.00 0.00 176.35 173.69 1qf3 s SER 175 N 1.28 3.12 -0.00 3.68 1.04 -0.53 -1.02 113.70 121.27 1qf3 s SER 175 Ca -0.02 -0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1qf3 s SER 175 Cb -0.18 -0.51 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 1qf3 s SER 175 CO -0.04 0.30 -0.23 -0.69 0.98 0.00 0.00 173.24 173.56 1qf3 s VAL 176 N -0.50 1.84 -0.12 5.02 1.01 0.26 -1.50 120.40 126.40 1qf3 s VAL 176 Ca 0.07 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1qf3 s VAL 176 Cb -0.11 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1qf3 s VAL 176 CO 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 1qf3 s ALA 177 N -0.60 1.48 -0.25 5.51 0.00 -0.18 -2.23 121.76 125.49 1qf3 s ALA 177 Ca 0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 1qf3 s ALA 177 Cb -0.09 -0.95 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 1qf3 s ALA 177 CO -0.00 -0.40 0.01 0.08 0.00 0.00 0.00 175.76 175.45 1qf3 s VAL 178 N 1.63 3.66 -0.48 0.00 1.01 0.11 -1.36 120.40 124.97 1qf3 s VAL 178 Ca 0.05 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1qf3 s VAL 178 Cb -0.13 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.53 1qf3 s VAL 178 CO -0.09 0.27 0.60 -0.89 0.00 0.00 0.00 175.10 174.99 1qf3 s THR 179 N 1.49 4.91 1.00 3.92 2.01 0.17 -0.72 115.64 128.41 1qf3 s THR 179 Ca 0.04 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 1qf3 s THR 179 Cb -0.16 -4.24 0.19 0.00 0.01 0.00 0.00 72.50 68.30 1qf3 s THR 179 CO -0.00 -0.71 1.10 0.20 -0.69 0.00 0.00 174.62 174.52 1qf3 s ASN 180 N 2.45 2.66 0.18 3.53 0.01 0.27 -2.84 114.94 121.21 1qf3 s ASN 180 Ca 0.16 1.10 -0.13 0.00 -0.71 0.00 0.00 52.86 53.28 1qf3 s ASN 180 Cb -0.18 -1.74 0.12 0.00 0.41 0.00 0.00 41.25 39.86 1qf3 s ASN 180 CO 0.13 -3.10 1.83 -0.78 -1.51 0.00 0.00 177.10 173.67 1qf3 h ASP 181 N -1.87 0.58 0.00 -1.22 3.58 -1.86 -2.57 116.42 113.05 1qf3 h ASP 181 Ca -0.54 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.91 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 0.58 0.41 0.00 -0.46 -2.88 0.00 0.00 179.24 176.89 1qf3 n ASN 182 N -4.75 0.00 0.00 2.28 2.04 -1.26 -4.88 115.26 108.69 1qf3 n ASN 182 Ca 0.05 -1.09 0.00 0.00 -0.44 0.00 0.00 54.58 53.10 1qf3 n ASN 182 Cb 0.07 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 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 0.48 2.47 3.74 4.83 0.00 -0.97 -5.06 105.19 110.68 1qf3 n GLY 183 Ca 0.12 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1qf3 n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf3 n ASP 184 N 0.07 2.47 -4.47 1.61 9.92 -1.26 -4.64 116.55 120.24 1qf3 n ASP 184 Ca 0.00 0.92 -0.28 0.00 -0.53 0.00 0.00 54.79 54.90 1qf3 n ASP 184 Cb 0.00 -1.57 -0.11 0.00 -0.64 0.00 0.00 41.12 38.80 1qf3 n ASP 184 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1qf3 s ILE 185 N -1.32 2.64 -0.04 0.53 -4.36 -1.26 -0.56 121.20 116.82 1qf3 s ILE 185 Ca 0.76 -1.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.37 1qf3 s ILE 185 Cb -0.40 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.06 1qf3 s ILE 185 CO 0.45 -0.05 -0.11 -0.89 0.24 0.00 0.00 174.94 174.58 1qf3 s THR 186 N -1.51 0.98 0.15 8.37 2.01 0.10 -4.95 115.64 120.79 1qf3 s THR 186 Ca 0.20 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.82 1qf3 s THR 186 Cb -0.09 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1qf3 s THR 186 CO 0.11 0.30 -0.12 0.42 -0.69 0.00 0.00 174.62 174.64 1qf3 s THR 187 N 0.34 1.36 -0.24 -0.82 -4.23 -1.26 0.05 115.64 110.85 1qf3 s THR 187 Ca -0.07 -1.99 -0.23 0.00 -1.18 0.00 0.00 61.69 58.22 1qf3 s THR 187 Cb -0.11 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 71.99 1qf3 s THR 187 CO 0.02 -0.61 0.66 -0.51 -0.54 0.00 0.00 174.62 173.64 1qf3 s ILE 188 N -2.86 0.00 0.02 2.99 2.07 -0.95 -4.98 121.20 117.49 1qf3 s ILE 188 Ca 0.16 -0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.35 1qf3 s ILE 188 Cb -0.01 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1qf3 s ILE 188 CO 0.03 -0.00 0.07 0.00 -1.91 0.00 0.00 174.94 173.13 1qf3 s ALA 189 N 0.27 -0.11 -0.13 1.50 0.00 -1.26 -0.58 121.76 121.46 1qf3 s ALA 189 Ca -0.01 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 1qf3 s ALA 189 Cb -0.04 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.29 1qf3 s ALA 189 CO 0.01 -0.21 0.61 -1.14 0.00 0.00 0.00 175.76 175.03 1qf3 s GLN 190 N -1.67 0.87 -0.24 0.00 2.00 -0.19 -4.98 119.66 115.45 1qf3 s GLN 190 Ca -0.13 0.47 -0.22 0.00 -2.00 0.00 0.00 55.36 53.48 1qf3 s GLN 190 Cb -0.07 0.41 -0.01 0.00 0.80 0.00 0.00 33.01 34.14 1qf3 s GLN 190 CO -0.01 -0.20 0.71 0.08 -0.50 0.00 0.00 175.29 175.37 1qf3 s VAL 191 N -0.54 4.93 -0.10 1.34 1.01 -1.26 -0.70 120.40 125.07 1qf3 s VAL 191 Ca -0.07 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 1qf3 s VAL 191 Cb -0.03 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1qf3 s VAL 191 CO 0.05 -0.00 -0.04 -0.69 0.00 0.00 0.00 175.10 174.42 1qf3 s VAL 192 N 2.55 0.75 -0.90 2.92 1.01 0.11 -4.99 120.40 121.85 1qf3 s VAL 192 Ca 0.30 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1qf3 s VAL 192 Cb -0.15 -0.84 0.08 0.00 0.00 0.00 0.00 36.38 35.46 1qf3 s VAL 192 CO 0.08 0.30 1.25 -0.62 0.00 0.00 0.00 175.10 176.11 1qf3 s ASP 193 N 1.82 6.45 0.44 3.32 -1.08 -1.26 -4.72 116.67 121.64 1qf3 s ASP 193 Ca 0.05 -1.45 0.14 0.00 -0.52 0.00 0.00 52.55 50.76 1qf3 s ASP 193 Cb -0.13 -2.49 1.03 0.00 -1.46 0.00 0.00 42.92 39.88 1qf3 s ASP 193 CO -0.07 -1.39 1.99 -0.07 0.52 0.00 0.00 175.17 176.15 1qf3 h LEU 194 N 11.82 0.36 -1.69 -1.34 3.38 -1.96 -1.66 115.31 124.22 1qf3 h LEU 194 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1qf3 h LEU 194 Cb 1.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1qf3 h LEU 194 CO 1.27 0.22 -0.18 0.50 0.09 0.00 0.00 178.44 180.34 1qf3 h LYS 195 N 0.40 0.00 0.00 1.13 3.64 -1.89 -0.98 116.57 118.87 1qf3 h LYS 195 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1qf3 h LYS 195 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1qf3 h LYS 195 CO -0.07 0.18 -1.33 0.00 -2.27 0.00 0.00 179.45 175.96 1qf3 n ALA 196 N -2.32 3.72 -0.07 5.00 0.00 -0.65 -4.45 120.51 121.74 1qf3 n ALA 196 Ca -0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 1qf3 n ALA 196 Cb 0.29 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.89 1.22 -4.43 0.00 4.76 -1.03 -5.04 118.16 111.75 1qf3 n LYS 197 Ca 0.01 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.20 1qf3 n LYS 197 Cb 0.44 -1.41 -0.10 0.00 -1.84 0.00 0.00 35.03 32.11 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 -5.02 2.40 0.63 -0.35 1.43 -0.39 -4.90 118.68 112.48 1qf3 s LEU 198 Ca -0.08 -1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 51.75 1qf3 s LEU 198 Cb 0.06 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.78 1qf3 s LEU 198 CO 0.67 -0.42 0.91 -2.16 0.23 0.00 0.00 176.35 175.58 1qf3 s PRO 199 N -3.78 2.42 0.27 1.29 0.04 -1.26 -4.65 135.00 129.33 1qf3 s PRO 199 Ca 0.31 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1qf3 s PRO 199 Cb 0.05 -2.30 0.62 0.00 0.04 0.00 0.00 34.50 32.91 1qf3 s PRO 199 CO 0.12 -0.97 1.70 0.93 0.04 0.00 0.00 177.00 178.82 1qf3 h GLU 200 N -0.29 0.36 -5.51 4.56 5.08 -1.95 -3.39 114.58 113.44 1qf3 h GLU 200 Ca -0.44 -0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.25 1qf3 h GLU 200 Cb 1.30 -0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.28 1qf3 h GLU 200 CO 0.58 0.24 -0.63 1.03 -1.00 0.00 0.00 179.01 179.22 1qf3 s ARG 201 N -5.95 3.52 0.23 2.33 0.52 -1.26 -1.52 118.95 116.82 1qf3 s ARG 201 Ca -0.12 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 1qf3 s ARG 201 Cb 0.24 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 1qf3 s ARG 201 CO 0.77 0.39 0.24 0.14 0.02 0.00 0.00 175.30 176.86 1qf3 s VAL 202 N -0.03 0.00 0.01 3.52 -7.23 -0.28 -3.61 120.40 112.78 1qf3 s VAL 202 Ca 0.03 -1.87 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 1qf3 s VAL 202 Cb -0.13 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1qf3 s VAL 202 CO 0.02 0.00 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.11 1qf3 s LYS 203 N -3.97 1.20 -0.02 4.82 1.02 0.41 -0.14 119.74 123.06 1qf3 s LYS 203 Ca 0.36 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.68 1qf3 s LYS 203 Cb 0.05 -1.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.12 1qf3 s LYS 203 CO 0.14 0.32 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.82 1qf3 s PHE 204 N -0.57 3.06 -0.01 3.18 0.40 -1.26 -1.82 117.98 120.95 1qf3 s PHE 204 Ca 0.05 0.08 -0.20 0.00 -0.60 0.00 0.00 56.93 56.26 1qf3 s PHE 204 Cb -0.07 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.85 1qf3 s PHE 204 CO 0.00 0.45 0.92 0.41 0.70 0.00 0.00 175.22 177.70 1qf3 n GLY 205 N 1.56 0.34 3.46 4.36 0.00 -0.81 -1.12 105.19 112.99 1qf3 n GLY 205 Ca -0.15 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.33 2.32 -0.01 1.61 0.08 -0.15 -0.76 117.98 118.73 1qf3 s PHE 206 Ca 0.22 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 56.81 1qf3 s PHE 206 Cb -0.01 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.41 1qf3 s PHE 206 CO -0.00 0.64 0.27 0.45 -0.10 0.00 0.00 175.22 176.48 1qf3 s SER 207 N -3.23 -0.14 0.10 1.36 0.15 -0.73 -1.47 113.70 109.74 1qf3 s SER 207 Ca 0.27 0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.86 1qf3 s SER 207 Cb -0.06 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1qf3 s SER 207 CO 0.14 -0.42 0.21 0.00 1.20 0.00 0.00 173.24 174.36 1qf3 s ALA 208 N -1.31 -0.23 0.22 5.45 0.00 -0.69 -1.18 121.76 124.02 1qf3 s ALA 208 Ca -0.14 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1qf3 s ALA 208 Cb -0.06 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1qf3 s ALA 208 CO 0.04 -0.53 0.55 -1.54 0.00 0.00 0.00 175.76 174.27 1qf3 s SER 209 N -2.87 -0.22 0.35 0.00 1.04 -1.24 -2.35 113.70 108.41 1qf3 s SER 209 Ca 0.06 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1qf3 s SER 209 Cb 0.05 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1qf3 s SER 209 CO -0.10 -1.12 0.41 -0.83 0.98 0.00 0.00 173.24 172.58 1qf3 s GLY 210 N -2.92 1.88 0.00 7.32 0.00 -0.60 -1.46 107.32 111.54 1qf3 s GLY 210 Ca 0.13 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1qf3 s GLY 210 CO 0.02 -1.19 0.00 -1.14 0.00 0.00 0.00 173.10 170.78 1qf3 n SER 211 N -1.56 0.25 0.04 1.64 3.41 0.85 -0.21 113.62 118.05 1qf3 n SER 211 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.56 1qf3 n SER 211 Cb 0.62 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.17 0.00 1.04 6.46 -1.92 -3.07 115.31 117.65 1qf3 h LEU 212 Ca 0.00 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1qf3 h LEU 212 Cb 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1qf3 h LEU 212 CO 0.00 0.41 -0.99 0.61 -0.62 0.00 0.00 178.44 177.85 1qf3 n GLY 213 N 0.89 -1.12 3.45 3.75 0.00 -1.26 -4.83 105.19 106.07 1qf3 n GLY 213 Ca -0.07 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.35 1.86 -0.07 -0.02 0.00 -1.26 -1.61 107.32 102.87 1qf3 s GLY 214 Ca 0.06 -1.35 -0.23 0.00 0.00 0.00 0.00 44.72 43.20 1qf3 s GLY 214 CO 0.82 0.68 0.53 0.50 0.00 0.00 0.00 173.10 175.62 1qf3 s ARG 215 N 1.62 0.84 0.13 2.90 0.52 0.39 -0.10 118.95 125.25 1qf3 s ARG 215 Ca 0.05 0.22 -0.25 0.00 -0.52 0.00 0.00 55.73 55.22 1qf3 s ARG 215 Cb -0.17 0.39 0.07 0.00 0.52 0.00 0.00 34.95 35.76 1qf3 s ARG 215 CO 0.06 -0.23 0.95 1.14 0.02 0.00 0.00 175.30 177.25 1qf3 s GLN 216 N -0.91 1.14 -0.03 3.54 -2.07 -1.22 -4.04 119.66 116.07 1qf3 s GLN 216 Ca -0.09 -0.61 -0.28 0.00 -1.82 0.00 0.00 55.36 52.55 1qf3 s GLN 216 Cb -0.03 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.27 1qf3 s GLN 216 CO 0.06 -0.52 0.90 0.42 -1.32 0.00 0.00 175.29 174.83 1qf3 s ILE 217 N -3.26 4.92 -0.29 3.63 1.01 -0.24 -4.88 121.20 122.08 1qf3 s ILE 217 Ca 0.11 1.87 0.03 0.00 0.00 0.00 0.00 60.65 62.67 1qf3 s ILE 217 Cb -0.01 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.30 1qf3 s ILE 217 CO 0.01 0.17 -0.03 -1.00 0.00 0.00 0.00 174.94 174.09 1qf3 s HIS 218 N 1.04 3.36 -0.06 3.97 3.76 -1.26 -2.12 115.29 123.98 1qf3 s HIS 218 Ca 0.47 -2.55 0.02 0.00 -0.15 0.00 0.00 55.06 52.85 1qf3 s HIS 218 Cb -0.20 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 1qf3 s HIS 218 CO 0.24 -0.90 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.62 1qf3 s LEU 219 N 1.06 2.96 -0.23 0.89 1.43 0.12 -1.06 118.68 123.85 1qf3 s LEU 219 Ca 0.00 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1qf3 s LEU 219 Cb -0.19 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1qf3 s LEU 219 CO -0.07 0.35 -0.07 -0.63 0.23 0.00 0.00 176.35 176.15 1qf3 s ILE 220 N -0.74 2.94 -0.17 -0.59 -1.09 -0.53 -1.83 121.20 119.18 1qf3 s ILE 220 Ca 0.11 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 1qf3 s ILE 220 Cb -0.11 -2.40 -0.22 0.00 -1.58 0.00 0.00 42.46 38.15 1qf3 s ILE 220 CO 0.01 0.34 0.14 0.54 -1.23 0.00 0.00 174.94 174.74 1qf3 n ARG 221 N 4.71 0.69 -3.75 2.79 1.74 -0.41 -2.10 116.66 120.34 1qf3 n ARG 221 Ca -0.18 0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1qf3 n ARG 221 Cb 0.49 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 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 -6.49 -0.30 -0.29 0.55 1.04 -1.23 -4.42 113.70 102.56 1qf3 s SER 222 Ca -0.23 -0.48 -0.15 0.00 0.48 0.00 0.00 55.95 55.57 1qf3 s SER 222 Cb 0.08 0.64 0.14 0.00 0.10 0.00 0.00 66.02 66.98 1qf3 s SER 222 CO 0.72 -1.15 0.92 0.86 0.98 0.00 0.00 173.24 175.57 1qf3 s TRP 223 N -3.88 -0.74 0.07 5.02 -0.00 -0.48 -2.95 118.94 115.98 1qf3 s TRP 223 Ca 0.10 1.38 0.06 0.00 -0.00 0.00 0.00 56.10 57.64 1qf3 s TRP 223 Cb -0.03 0.44 -0.03 0.00 -0.00 0.00 0.00 33.47 33.86 1qf3 s TRP 223 CO -0.00 -0.37 -0.17 -1.54 -0.00 0.00 0.00 176.95 174.87 1qf3 s SER 224 N 1.92 2.09 -0.04 5.86 1.04 -0.49 -0.06 113.70 124.02 1qf3 s SER 224 Ca -0.07 -0.57 -0.17 0.00 0.48 0.00 0.00 55.95 55.62 1qf3 s SER 224 Cb -0.05 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.98 1qf3 s SER 224 CO -0.17 0.04 0.38 0.12 0.98 0.00 0.00 173.24 174.59 1qf3 s PHE 225 N -1.03 -0.29 -0.17 5.02 2.19 -0.44 -1.99 117.98 121.27 1qf3 s PHE 225 Ca 0.03 0.53 -0.13 0.00 0.33 0.00 0.00 56.93 57.69 1qf3 s PHE 225 Cb -0.09 0.15 0.05 0.00 -1.31 0.00 0.00 43.02 41.82 1qf3 s PHE 225 CO 0.02 -0.39 0.44 0.99 1.83 0.00 0.00 175.22 178.11 1qf3 s THR 226 N -1.05 -0.01 0.02 0.12 2.01 -0.78 -1.72 115.64 114.24 1qf3 s THR 226 Ca -0.11 0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1qf3 s THR 226 Cb -0.04 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 1qf3 s THR 226 CO 0.04 0.02 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.01 1qf3 s SER 227 N 0.75 0.37 -0.03 3.53 1.04 -0.42 -1.36 113.70 117.57 1qf3 s SER 227 Ca -0.04 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 1qf3 s SER 227 Cb -0.05 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1qf3 s SER 227 CO -0.05 -0.18 0.04 -0.89 0.98 0.00 0.00 173.24 173.13 1qf3 s THR 228 N -1.02 -0.02 -0.14 2.02 2.01 -0.54 -1.90 115.64 116.06 1qf3 s THR 228 Ca -0.10 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1qf3 s THR 228 Cb -0.07 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1qf3 s THR 228 CO -0.00 0.15 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.74 1qf3 s LEU 229 N 1.63 2.78 -0.35 4.42 2.96 0.17 -1.95 118.68 128.33 1qf3 s LEU 229 Ca -0.02 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.29 1qf3 s LEU 229 Cb -0.13 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1qf3 s LEU 229 CO -0.03 0.15 1.18 -0.63 -1.32 0.00 0.00 176.35 175.70 1qf3 s ILE 230 N 0.45 4.29 -1.13 6.68 1.01 -1.26 -0.51 121.20 130.72 1qf3 s ILE 230 Ca -0.09 1.43 -0.05 0.00 0.00 0.00 0.00 60.65 61.95 1qf3 s ILE 230 Cb -0.16 -4.36 0.27 0.00 0.01 0.00 0.00 42.46 38.22 1qf3 s ILE 230 CO 0.04 -0.61 1.63 0.35 0.00 0.00 0.00 174.94 176.35 1qf3 n THR 231 N 6.26 5.14 0.00 2.92 -2.24 -1.26 -4.86 114.28 120.24 1qf3 n THR 231 Ca 0.13 -5.52 0.00 0.00 -2.27 0.00 0.00 64.05 56.40 1qf3 n THR 231 Cb 0.47 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 1qf3 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57