#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 2.63 -0.07 0.00 2.12 0.44 -4.91 118.70 118.91 1qf3 s GLU 2 Ca 0.00 -1.16 0.05 0.00 0.36 0.00 0.00 54.97 54.22 1qf3 s GLU 2 Cb 0.00 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1qf3 s GLU 2 CO 0.00 -0.64 -0.22 0.99 -0.54 0.00 0.00 175.26 174.84 1qf3 s THR 3 N 1.39 2.28 -0.12 -1.70 2.01 -1.26 -0.36 115.64 117.89 1qf3 s THR 3 Ca -0.02 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1qf3 s THR 3 Cb -0.19 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.48 1qf3 s THR 3 CO 0.02 0.57 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.64 1qf3 s VAL 4 N -0.17 1.77 -0.10 3.82 1.01 -0.62 -4.97 120.40 121.14 1qf3 s VAL 4 Ca -0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1qf3 s VAL 4 Cb -0.14 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1qf3 s VAL 4 CO 0.04 0.49 0.31 -0.94 0.00 0.00 0.00 175.10 175.00 1qf3 s SER 5 N 0.86 -0.30 0.11 3.32 1.04 -1.26 -0.84 113.70 116.62 1qf3 s SER 5 Ca -0.08 0.55 -0.13 0.00 0.48 0.00 0.00 55.95 56.78 1qf3 s SER 5 Cb -0.15 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1qf3 s SER 5 CO -0.01 -0.15 0.31 0.72 0.98 0.00 0.00 173.24 175.09 1qf3 s PHE 6 N -0.02 -0.03 -0.07 5.02 -0.12 -0.47 -4.99 117.98 117.30 1qf3 s PHE 6 Ca -0.02 -0.34 -0.03 0.00 -0.05 0.00 0.00 56.93 56.49 1qf3 s PHE 6 Cb -0.03 0.11 0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1qf3 s PHE 6 CO 0.01 -0.64 0.16 1.21 -0.05 0.00 0.00 175.22 175.91 1qf3 s ASN 7 N -2.84 0.18 -0.25 1.98 2.47 -1.26 -1.03 114.94 114.19 1qf3 s ASN 7 Ca 0.04 0.32 0.02 0.00 0.42 0.00 0.00 52.86 53.67 1qf3 s ASN 7 Cb 0.03 0.23 0.06 0.00 -1.45 0.00 0.00 41.25 40.12 1qf3 s ASN 7 CO -0.11 -0.18 -0.11 -0.36 -3.72 0.00 0.00 177.10 172.62 1qf3 s PHE 8 N 1.57 3.08 -0.07 0.43 0.08 0.18 -4.94 117.98 118.31 1qf3 s PHE 8 Ca -0.05 -2.16 0.14 0.00 0.12 0.00 0.00 56.93 54.98 1qf3 s PHE 8 Cb -0.12 -1.87 -0.20 0.00 -0.57 0.00 0.00 43.02 40.26 1qf3 s PHE 8 CO -0.06 -0.85 0.73 0.09 -0.10 0.00 0.00 175.22 175.02 1qf3 n ASN 9 N 4.49 0.88 -3.66 1.36 3.02 -1.26 -1.31 115.26 118.78 1qf3 n ASN 9 Ca -0.14 0.41 -0.15 0.00 -0.03 0.00 0.00 54.58 54.66 1qf3 n ASN 9 Cb 0.43 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 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 -5.98 -0.41 0.18 6.41 1.04 -1.26 -4.69 113.70 108.98 1qf3 s SER 10 Ca -0.04 0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.90 1qf3 s SER 10 Cb 0.08 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1qf3 s SER 10 CO 0.82 -0.47 0.10 -0.36 0.98 0.00 0.00 173.24 174.31 1qf3 s PHE 11 N -1.07 3.06 -0.04 5.02 0.40 0.41 -5.05 117.98 120.71 1qf3 s PHE 11 Ca -0.11 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1qf3 s PHE 11 Cb -0.03 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 42.05 1qf3 s PHE 11 CO 0.06 0.52 0.11 -1.54 0.70 0.00 0.00 175.22 175.07 1qf3 s SER 12 N -3.14 -0.09 0.07 1.36 1.04 -1.26 -4.46 113.70 107.21 1qf3 s SER 12 Ca 0.30 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 1qf3 s SER 12 Cb -0.10 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 1qf3 s SER 12 CO 0.22 -0.08 1.11 -1.83 0.98 0.00 0.00 173.24 173.64 1qf3 s GLU 13 N -0.13 4.51 0.00 4.02 -1.05 -1.26 -3.16 118.70 121.63 1qf3 s GLU 13 Ca -0.02 1.65 0.00 0.00 -0.15 0.00 0.00 54.97 56.45 1qf3 s GLU 13 Cb -0.02 -3.37 0.00 0.00 -0.44 0.00 0.00 34.13 30.30 1qf3 s GLU 13 CO 0.00 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.50 1qf3 n GLY 14 N 2.89 1.08 3.62 -3.83 0.00 -1.26 -5.07 105.19 102.61 1qf3 n GLY 14 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.98 6.66 0.20 1.61 3.04 -1.19 -4.90 114.94 118.39 1qf3 s ASN 15 Ca 0.00 0.84 0.12 0.00 0.04 0.00 0.00 52.86 53.86 1qf3 s ASN 15 Cb 0.00 -2.54 0.64 0.00 -1.54 0.00 0.00 41.25 37.81 1qf3 s ASN 15 CO 0.00 -1.16 1.31 -0.81 -3.04 0.00 0.00 177.10 173.41 1qf3 n PRO 16 N 7.53 0.08 0.02 0.43 -0.04 -1.26 -1.61 135.00 140.15 1qf3 n PRO 16 Ca 0.13 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.28 1qf3 n PRO 16 Cb 0.48 -1.85 0.53 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.50 -2.35 0.55 0.00 -1.26 -4.74 120.51 113.60 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 0.11 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 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 2.25 -0.18 0.00 1.01 -0.63 -0.67 121.20 119.95 1qf3 s ILE 18 Ca 0.13 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 1qf3 s ILE 18 Cb 0.18 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1qf3 s ILE 18 CO 0.57 0.50 -0.08 0.20 0.00 0.00 0.00 174.94 176.14 1qf3 s ASN 19 N -0.86 4.22 -0.13 3.58 0.02 0.06 -4.75 114.94 117.09 1qf3 s ASN 19 Ca 0.11 -0.35 -0.04 0.00 -1.02 0.00 0.00 52.86 51.56 1qf3 s ASN 19 Cb -0.10 -1.69 -0.03 0.00 0.02 0.00 0.00 41.25 39.44 1qf3 s ASN 19 CO 0.00 0.06 0.02 -0.36 0.02 0.00 0.00 177.10 176.85 1qf3 s PHE 20 N 0.99 3.19 -0.05 2.20 0.08 -1.26 -0.58 117.98 122.55 1qf3 s PHE 20 Ca -0.00 0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.14 1qf3 s PHE 20 Cb -0.15 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1qf3 s PHE 20 CO -0.00 0.30 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.72 1qf3 s GLN 21 N -0.29 0.83 1.85 0.44 -0.21 0.09 -5.01 119.66 117.36 1qf3 s GLN 21 Ca 0.07 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1qf3 s GLN 21 Cb -0.12 -0.86 0.00 0.00 1.00 0.00 0.00 33.01 33.03 1qf3 s GLN 21 CO 0.02 -0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1qf3 n GLY 22 N 4.14 -0.22 0.58 3.09 0.00 -1.26 -0.52 105.19 110.99 1qf3 n GLY 22 Ca -0.23 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 0.68 1.09 -4.77 1.61 8.00 0.39 -4.91 116.55 118.64 1qf3 n ASP 23 Ca 0.00 -1.68 -0.40 0.00 0.71 0.00 0.00 54.79 53.42 1qf3 n ASP 23 Cb 0.00 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 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 -0.83 2.50 -0.07 2.53 1.01 -1.22 -4.21 120.40 120.12 1qf3 s VAL 24 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1qf3 s VAL 24 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1qf3 s VAL 24 CO 0.00 0.08 0.19 0.28 0.00 0.00 0.00 175.10 175.65 1qf3 s THR 25 N -1.22 0.01 -0.37 3.92 -1.32 -0.23 -5.00 115.64 111.43 1qf3 s THR 25 Ca 0.56 -0.05 -0.12 0.00 -1.21 0.00 0.00 61.69 60.87 1qf3 s THR 25 Cb -0.40 -0.29 0.01 0.00 -1.51 0.00 0.00 72.50 70.32 1qf3 s THR 25 CO 0.52 -0.02 0.22 -0.69 -2.21 0.00 0.00 174.62 172.43 1qf3 s VAL 26 N -0.00 4.81 0.91 5.08 1.01 -1.26 -0.22 120.40 130.74 1qf3 s VAL 26 Ca -0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1qf3 s VAL 26 Cb -0.02 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.89 1qf3 s VAL 26 CO 0.00 -0.16 1.09 -0.76 0.00 0.00 0.00 175.10 175.27 1qf3 s LEU 27 N 1.61 2.16 0.57 3.92 1.43 0.35 -4.93 118.68 123.79 1qf3 s LEU 27 Ca 0.04 1.46 0.32 0.00 -1.03 0.00 0.00 54.13 54.92 1qf3 s LEU 27 Cb -0.18 -3.84 1.70 0.00 0.03 0.00 0.00 46.19 43.90 1qf3 s LEU 27 CO 0.08 -2.73 2.15 0.77 0.23 0.00 0.00 176.35 176.85 1qf3 h SER 28 N -1.61 0.00 -0.12 2.29 4.64 -1.98 -1.97 113.55 114.80 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 0.06 0.00 -0.46 -0.87 0.00 0.00 176.83 176.11 1qf3 n ASN 29 N -3.46 1.07 0.00 4.97 0.23 -1.26 -4.89 115.26 111.93 1qf3 n ASN 29 Ca -0.02 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 1qf3 n ASN 29 Cb 0.19 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 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 0.98 1.14 3.84 4.83 0.00 -0.74 -4.92 105.19 110.32 1qf3 n GLY 30 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.83 6.02 -0.16 1.61 0.02 -1.26 -0.45 114.94 117.89 1qf3 s ASN 31 Ca 0.00 1.58 -0.04 0.00 -1.02 0.00 0.00 52.86 53.38 1qf3 s ASN 31 Cb 0.00 -2.50 -0.03 0.00 0.02 0.00 0.00 41.25 38.75 1qf3 s ASN 31 CO 0.00 -1.01 -0.03 -0.63 0.02 0.00 0.00 177.10 175.45 1qf3 s ILE 32 N -2.88 3.91 -0.25 0.60 1.01 -0.81 -0.50 121.20 122.28 1qf3 s ILE 32 Ca 0.58 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 1qf3 s ILE 32 Cb -0.12 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1qf3 s ILE 32 CO 0.46 0.49 0.06 -1.58 0.00 0.00 0.00 174.94 174.37 1qf3 s GLN 33 N 0.39 3.52 0.12 2.79 0.74 0.70 -1.19 119.66 126.74 1qf3 s GLN 33 Ca -0.04 -0.56 -0.08 0.00 0.05 0.00 0.00 55.36 54.73 1qf3 s GLN 33 Cb -0.14 -3.30 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 1qf3 s GLN 33 CO 0.03 -0.24 1.31 -0.07 -0.55 0.00 0.00 175.29 175.77 1qf3 h LEU 34 N 8.22 0.74 -9.61 3.68 3.38 -1.39 -0.58 115.31 119.75 1qf3 h LEU 34 Ca -0.38 -0.53 -0.59 0.00 0.09 0.00 0.00 57.88 56.47 1qf3 h LEU 34 Cb 1.16 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 1qf3 h LEU 34 CO 0.59 1.32 -0.61 0.42 0.09 0.00 0.00 178.44 180.24 1qf3 s THR 35 N -3.52 2.49 -0.29 0.22 -4.23 -1.26 -3.05 115.64 105.99 1qf3 s THR 35 Ca -0.08 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.35 1qf3 s THR 35 Cb 0.09 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1qf3 s THR 35 CO 0.89 -0.16 0.16 0.21 -0.54 0.00 0.00 174.62 175.18 1qf3 s ASN 36 N -3.72 5.70 0.13 3.99 3.84 -1.26 -4.90 114.94 118.73 1qf3 s ASN 36 Ca 0.35 -0.28 0.12 0.00 0.21 0.00 0.00 52.86 53.26 1qf3 s ASN 36 Cb 0.02 -2.05 0.60 0.00 -0.55 0.00 0.00 41.25 39.27 1qf3 s ASN 36 CO 0.19 -0.13 1.38 0.18 -2.79 0.00 0.00 177.10 175.94 1qf3 n LEU 37 N 5.02 0.26 -0.75 3.21 4.32 -1.26 -2.54 117.00 125.26 1qf3 n LEU 37 Ca -0.14 0.60 0.06 0.00 -0.02 0.00 0.00 56.01 56.52 1qf3 n LEU 37 Cb 0.51 -0.61 0.18 0.00 -1.62 0.00 0.00 43.42 41.88 1qf3 n LEU 37 CO 0.33 -0.60 0.65 0.59 -1.22 0.00 0.00 177.39 177.15 1qf3 n ASN 38 N -1.83 3.11 -4.44 -1.43 3.02 -1.26 -5.00 115.26 107.43 1qf3 n ASN 38 Ca 0.00 -2.04 -0.31 0.00 -0.03 0.00 0.00 54.58 52.21 1qf3 n ASN 38 Cb 0.07 -0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.08 2.05 0.22 3.52 1.02 -1.05 -5.12 119.74 119.31 1qf3 s LYS 39 Ca 0.27 -0.99 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 1qf3 s LYS 39 Cb 0.15 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1qf3 s LYS 39 CO 0.18 0.54 0.91 0.08 -0.92 0.00 0.00 175.35 176.14 1qf3 s VAL 40 N -0.90 4.15 -1.56 3.17 1.01 -1.26 -3.77 120.40 121.24 1qf3 s VAL 40 Ca 0.14 2.02 -0.11 0.00 0.00 0.00 0.00 61.98 64.03 1qf3 s VAL 40 Cb -0.10 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.07 1qf3 s VAL 40 CO 0.05 0.49 0.73 0.59 0.00 0.00 0.00 175.10 176.96 1qf3 n ASN 41 N 1.58 -2.73 -4.76 3.32 5.03 -1.06 -4.91 115.26 111.74 1qf3 n ASN 41 Ca -0.02 -0.94 -0.37 0.00 0.87 0.00 0.00 54.58 54.11 1qf3 n ASN 41 Cb 0.47 -3.18 0.02 0.00 -1.02 0.00 0.00 39.78 36.07 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 -3.65 5.58 -0.11 6.41 0.15 -1.24 -4.29 113.70 116.54 1qf3 s SER 42 Ca 0.48 2.53 -0.06 0.00 0.70 0.00 0.00 55.95 59.59 1qf3 s SER 42 Cb -0.25 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.49 1qf3 s SER 42 CO 0.89 -1.34 0.27 -0.69 1.20 0.00 0.00 173.24 173.57 1qf3 s VAL 43 N -1.44 -0.03 0.00 4.45 1.01 -1.26 -1.62 120.40 121.50 1qf3 s VAL 43 Ca 0.70 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1qf3 s VAL 43 Cb -0.34 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1qf3 s VAL 43 CO 0.40 0.05 -0.02 -0.83 0.00 0.00 0.00 175.10 174.70 1qf3 s GLY 44 N 1.17 0.10 -0.02 4.51 0.00 -0.96 -0.46 107.32 111.66 1qf3 s GLY 44 Ca -0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 1qf3 s GLY 44 CO -0.08 -0.11 0.09 0.50 0.00 0.00 0.00 173.10 173.50 1qf3 s ARG 45 N -0.14 0.24 -0.05 2.90 0.52 0.32 -1.65 118.95 121.09 1qf3 s ARG 45 Ca -0.00 -0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 1qf3 s ARG 45 Cb -0.01 0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.57 1qf3 s ARG 45 CO -0.00 -0.04 -0.11 0.54 0.02 0.00 0.00 175.30 175.70 1qf3 s VAL 46 N -0.52 1.01 0.15 3.52 0.11 -0.32 -0.73 120.40 123.62 1qf3 s VAL 46 Ca -0.06 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1qf3 s VAL 46 Cb -0.04 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1qf3 s VAL 46 CO 0.00 0.32 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.19 1qf3 s LEU 47 N 0.49 2.46 -0.24 2.54 1.43 0.25 -0.88 118.68 124.73 1qf3 s LEU 47 Ca -0.10 -0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 51.82 1qf3 s LEU 47 Cb -0.13 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.53 1qf3 s LEU 47 CO 0.02 -0.17 1.00 -0.47 0.23 0.00 0.00 176.35 176.96 1qf3 s TYR 48 N -2.52 3.32 0.29 0.29 5.04 -0.14 -0.76 117.35 122.88 1qf3 s TYR 48 Ca 0.14 1.38 0.03 0.00 -2.44 0.00 0.00 57.07 56.18 1qf3 s TYR 48 Cb -0.03 -3.25 0.72 0.00 0.35 0.00 0.00 41.96 39.75 1qf3 s TYR 48 CO 0.04 -0.48 1.67 0.00 -1.34 0.00 0.00 175.55 175.43 1qf3 h ALA 49 N 7.54 1.36 -2.47 3.97 0.00 -1.19 -3.42 119.26 125.05 1qf3 h ALA 49 Ca -0.20 0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1qf3 h ALA 49 Cb 1.07 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1qf3 h ALA 49 CO 0.96 -0.41 0.31 1.41 0.00 0.00 0.00 179.25 181.52 1qf3 s MET 50 N -5.91 4.52 0.15 0.00 0.00 -1.26 -5.00 119.30 111.80 1qf3 s MET 50 Ca -0.12 1.28 -0.30 0.00 0.00 0.00 0.00 55.69 56.55 1qf3 s MET 50 Cb 0.25 -3.46 -0.07 0.00 0.00 0.00 0.00 34.83 31.55 1qf3 s MET 50 CO 0.77 -0.04 1.13 -1.25 0.00 0.00 0.00 175.02 175.63 1qf3 s PRO 51 N 1.03 4.55 -0.14 4.11 0.04 -1.26 -4.84 135.00 138.48 1qf3 s PRO 51 Ca 0.48 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 63.19 1qf3 s PRO 51 Cb -0.20 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1qf3 s PRO 51 CO 0.25 -0.01 0.14 0.08 0.04 0.00 0.00 177.00 177.49 1qf3 s VAL 52 N 0.04 5.47 -0.64 -0.36 1.01 -0.21 -4.86 120.40 120.85 1qf3 s VAL 52 Ca 0.52 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.48 1qf3 s VAL 52 Cb -0.30 -3.41 0.08 0.00 0.00 0.00 0.00 36.38 32.75 1qf3 s VAL 52 CO 0.34 0.57 0.87 -0.60 0.00 0.00 0.00 175.10 176.28 1qf3 s ARG 53 N -0.61 3.09 0.21 2.72 3.52 -1.26 -1.20 118.95 125.41 1qf3 s ARG 53 Ca 0.13 -1.03 0.26 0.00 -0.13 0.00 0.00 55.73 54.96 1qf3 s ARG 53 Cb -0.12 -4.25 0.70 0.00 -1.56 0.00 0.00 34.95 29.72 1qf3 s ARG 53 CO 0.02 -1.72 1.68 -0.84 -0.81 0.00 0.00 175.30 173.64 1qf3 h ILE 54 N 5.95 0.00 -2.80 4.11 3.07 -1.59 -3.46 117.51 122.79 1qf3 h ILE 54 Ca -0.28 -0.51 -0.04 0.00 1.55 0.00 0.00 64.86 65.57 1qf3 h ILE 54 Cb 1.08 1.43 -0.15 0.00 -0.27 0.00 0.00 36.82 38.91 1qf3 h ILE 54 CO 1.15 0.00 0.12 -1.66 -1.05 0.00 0.00 178.15 176.71 1qf3 s TRP 55 N -3.12 -0.49 -0.11 0.16 1.48 -1.25 -0.41 118.94 115.21 1qf3 s TRP 55 Ca 0.10 0.46 0.04 0.00 -1.06 0.00 0.00 56.10 55.63 1qf3 s TRP 55 Cb 0.12 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.87 1qf3 s TRP 55 CO 0.62 -0.73 -0.23 0.45 -4.06 0.00 0.00 176.95 173.01 1qf3 s SER 56 N -2.25 3.04 0.46 -2.66 0.15 -0.68 -4.67 113.70 107.08 1qf3 s SER 56 Ca -0.03 -0.56 0.26 0.00 0.70 0.00 0.00 55.95 56.32 1qf3 s SER 56 Cb -0.00 -1.39 0.87 0.00 -1.71 0.00 0.00 66.02 63.79 1qf3 s SER 56 CO -0.06 0.13 1.80 0.77 1.20 0.00 0.00 173.24 177.09 1qf3 h SER 57 N 6.89 0.00 0.27 5.45 4.64 -1.94 0.35 113.55 129.20 1qf3 h SER 57 Ca -0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1qf3 h SER 57 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1qf3 h SER 57 CO 0.49 0.15 -0.13 0.00 -0.87 0.00 0.00 176.83 176.48 1qf3 h ALA 58 N 1.85 -0.36 0.09 5.18 0.00 -1.98 -3.38 119.26 120.66 1qf3 h ALA 58 Ca -0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 1qf3 h ALA 58 Cb 0.78 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1qf3 h ALA 58 CO 0.02 -0.45 -1.62 1.79 0.00 0.00 0.00 179.25 179.00 1qf3 h THR 59 N -0.86 0.83 0.00 0.00 1.35 -1.98 -3.49 112.91 108.76 1qf3 h THR 59 Ca -0.04 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 1qf3 h THR 59 Cb 0.51 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1qf3 h THR 59 CO 0.06 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1qf3 n GLY 60 N 1.76 0.73 3.80 5.82 0.00 0.12 -5.06 105.19 112.36 1qf3 n GLY 60 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.21 6.52 0.03 1.61 0.02 -1.24 -4.81 114.94 114.86 1qf3 s ASN 61 Ca 0.00 1.89 0.07 0.00 -1.02 0.00 0.00 52.86 53.81 1qf3 s ASN 61 Cb 0.00 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 1qf3 s ASN 61 CO 0.00 -0.66 -0.20 -0.69 0.02 0.00 0.00 177.10 175.57 1qf3 s VAL 62 N -1.97 2.60 0.61 1.60 1.01 -1.26 -1.69 120.40 121.29 1qf3 s VAL 62 Ca 0.65 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1qf3 s VAL 62 Cb -0.16 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1qf3 s VAL 62 CO 0.19 0.39 0.96 0.00 0.00 0.00 0.00 175.10 176.65 1qf3 s ALA 63 N -0.85 3.16 0.12 5.51 0.00 0.45 -4.75 121.76 125.40 1qf3 s ALA 63 Ca 0.13 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.72 1qf3 s ALA 63 Cb -0.10 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1qf3 s ALA 63 CO 0.03 -0.81 -0.14 -1.12 0.00 0.00 0.00 175.76 173.72 1qf3 s SER 64 N -4.27 4.10 0.03 0.00 0.01 -0.92 -4.22 113.70 108.43 1qf3 s SER 64 Ca 0.54 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 57.21 1qf3 s SER 64 Cb -0.11 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.46 1qf3 s SER 64 CO 0.49 0.17 0.16 0.72 0.41 0.00 0.00 173.24 175.18 1qf3 s PHE 65 N -1.26 0.08 -0.09 2.43 -0.12 -1.03 -1.61 117.98 116.38 1qf3 s PHE 65 Ca 0.20 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1qf3 s PHE 65 Cb -0.10 -0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.25 1qf3 s PHE 65 CO 0.12 -0.38 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.67 1qf3 s LEU 66 N -1.92 1.22 0.00 -1.99 2.96 -0.55 -1.36 118.68 117.04 1qf3 s LEU 66 Ca -0.07 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1qf3 s LEU 66 Cb -0.03 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 1qf3 s LEU 66 CO -0.03 -0.09 0.03 0.28 -1.32 0.00 0.00 176.35 175.22 1qf3 s THR 67 N 1.40 0.06 -0.04 3.68 -1.32 -0.61 -2.03 115.64 116.79 1qf3 s THR 67 Ca -0.02 -0.53 -0.05 0.00 -1.21 0.00 0.00 61.69 59.89 1qf3 s THR 67 Cb -0.13 -0.22 0.01 0.00 -1.51 0.00 0.00 72.50 70.65 1qf3 s THR 67 CO -0.04 -0.29 0.13 -0.94 -2.21 0.00 0.00 174.62 171.27 1qf3 s SER 68 N -0.89 -0.11 0.14 8.08 1.04 -1.00 -0.26 113.70 120.68 1qf3 s SER 68 Ca -0.10 0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 1qf3 s SER 68 Cb -0.06 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1qf3 s SER 68 CO -0.00 -0.08 0.36 0.72 0.98 0.00 0.00 173.24 175.21 1qf3 s PHE 69 N -0.10 -0.01 -0.02 5.02 -0.12 -0.81 -1.62 117.98 120.31 1qf3 s PHE 69 Ca -0.02 -0.34 0.04 0.00 -0.05 0.00 0.00 56.93 56.56 1qf3 s PHE 69 Cb -0.02 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1qf3 s PHE 69 CO 0.00 -0.71 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.79 1qf3 s SER 70 N -2.86 1.64 0.29 1.98 1.04 -1.13 -1.00 113.70 113.67 1qf3 s SER 70 Ca 0.07 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.27 1qf3 s SER 70 Cb 0.02 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1qf3 s SER 70 CO -0.08 0.16 0.14 0.72 0.98 0.00 0.00 173.24 175.16 1qf3 s PHE 71 N -0.22 1.57 -0.11 5.02 -0.12 -0.63 -1.09 117.98 122.40 1qf3 s PHE 71 Ca 0.03 -1.32 -0.09 0.00 -0.05 0.00 0.00 56.93 55.50 1qf3 s PHE 71 Cb -0.06 -0.86 0.03 0.00 -0.63 0.00 0.00 43.02 41.50 1qf3 s PHE 71 CO -0.00 -0.48 0.28 -2.00 -0.05 0.00 0.00 175.22 172.97 1qf3 s GLU 72 N -3.88 0.30 -0.03 1.99 2.12 -0.75 -1.21 118.70 117.25 1qf3 s GLU 72 Ca 0.36 0.44 0.07 0.00 0.36 0.00 0.00 54.97 56.20 1qf3 s GLU 72 Cb 0.06 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 1qf3 s GLU 72 CO 0.16 -0.07 -0.23 -1.64 -0.54 0.00 0.00 175.26 172.94 1qf3 s MET 73 N 0.44 2.06 -0.01 4.30 -1.94 -1.26 -0.76 119.30 122.13 1qf3 s MET 73 Ca -0.02 -0.84 -0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1qf3 s MET 73 Cb -0.04 -1.90 0.01 0.00 2.01 0.00 0.00 34.83 34.91 1qf3 s MET 73 CO -0.02 0.45 0.02 0.21 -0.01 0.00 0.00 175.02 175.67 1qf3 s LYS 74 N -0.40 -0.01 0.44 2.03 2.20 -0.90 -0.98 119.74 122.11 1qf3 s LYS 74 Ca 0.05 0.08 -0.24 0.00 -0.36 0.00 0.00 55.97 55.50 1qf3 s LYS 74 Cb -0.10 -0.10 -0.08 0.00 -1.51 0.00 0.00 37.83 36.04 1qf3 s LYS 74 CO 0.01 -0.07 1.19 -0.51 -0.36 0.00 0.00 175.35 175.60 1qf3 s ASP 75 N 0.44 6.26 0.27 1.43 1.11 -1.26 -1.18 116.67 123.75 1qf3 s ASP 75 Ca -0.04 2.37 0.12 0.00 0.18 0.00 0.00 52.55 55.18 1qf3 s ASP 75 Cb -0.05 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 1qf3 s ASP 75 CO -0.01 -0.86 -0.20 0.27 1.18 0.00 0.00 175.17 175.56 1qf3 s ILE 76 N -1.47 2.52 0.31 0.77 -4.36 -1.26 -4.87 121.20 112.83 1qf3 s ILE 76 Ca 0.61 -2.32 -0.29 0.00 -0.26 0.00 0.00 60.65 58.39 1qf3 s ILE 76 Cb -0.31 -2.30 -0.10 0.00 1.25 0.00 0.00 42.46 41.00 1qf3 s ILE 76 CO 0.38 -0.35 1.33 -0.75 0.24 0.00 0.00 174.94 175.78 1qf3 s LYS 77 N -3.39 4.34 0.00 0.37 2.20 -1.26 -3.73 119.74 118.27 1qf3 s LYS 77 Ca 0.29 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 1qf3 s LYS 77 Cb -0.06 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1qf3 s LYS 77 CO 0.14 -0.23 0.00 -0.25 -0.36 0.00 0.00 175.35 174.66 1qf3 n ASP 78 N 1.13 0.00 -4.86 1.43 8.00 -1.26 -4.98 116.55 116.02 1qf3 n ASP 78 Ca 0.01 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.21 1qf3 n ASP 78 Cb 0.42 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.80 3.36 0.17 1.24 2.02 -1.24 -5.06 117.35 117.03 1qf3 s TYR 79 Ca 0.00 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.55 1qf3 s TYR 79 Cb 0.00 -1.68 -0.08 0.00 -0.40 0.00 0.00 41.96 39.81 1qf3 s TYR 79 CO 0.00 0.55 1.13 -0.51 -1.57 0.00 0.00 175.55 175.15 1qf3 s ASP 80 N -2.57 7.20 -0.47 2.29 1.11 -0.64 -4.69 116.67 118.91 1qf3 s ASP 80 Ca 0.32 2.13 -0.28 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 0.25 -0.28 1.65 -2.84 1.18 0.00 0.00 175.17 175.14 1qf3 s PRO 81 N -0.26 3.20 0.17 8.23 0.02 -1.26 -0.31 135.00 144.79 1qf3 s PRO 81 Ca 0.51 0.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.22 1qf3 s PRO 81 Cb -0.30 -4.19 0.06 0.00 0.02 0.00 0.00 34.50 30.08 1qf3 s PRO 81 CO 0.35 -2.04 0.59 0.00 -0.33 0.00 0.00 177.00 175.57 1qf3 s ALA 82 N 6.96 -1.45 -0.41 -1.55 0.00 -1.26 -4.70 121.76 119.35 1qf3 s ALA 82 Ca 0.67 0.31 0.11 0.00 0.00 0.00 0.00 51.96 53.04 1qf3 s ALA 82 Cb -0.16 0.86 -0.13 0.00 0.00 0.00 0.00 23.12 23.69 1qf3 s ALA 82 CO 0.28 -0.79 0.42 -0.25 0.00 0.00 0.00 175.76 175.43 1qf3 n ASP 83 N -0.37 0.95 0.00 0.00 9.92 -0.32 -3.42 116.55 123.31 1qf3 n ASP 83 Ca -0.15 -0.59 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 1qf3 n ASP 83 Cb 0.64 1.12 0.00 0.00 -0.64 0.00 0.00 41.12 42.24 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 1.40 0.96 3.40 0.44 0.00 -1.26 -2.31 105.19 107.82 1qf3 n GLY 84 Ca 0.01 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.01 2.26 -0.07 -0.61 1.01 -1.01 -3.62 121.20 118.15 1qf3 s ILE 85 Ca 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 60.65 58.65 1qf3 s ILE 85 Cb 0.00 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.45 1qf3 s ILE 85 CO 0.00 -0.12 0.15 -0.51 0.00 0.00 0.00 174.94 174.46 1qf3 s ILE 86 N -1.63 -0.10 -0.24 2.92 2.07 -0.19 -1.12 121.20 122.92 1qf3 s ILE 86 Ca 0.19 0.22 -0.18 0.00 -1.41 0.00 0.00 60.65 59.47 1qf3 s ILE 86 Cb -0.08 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 1qf3 s ILE 86 CO 0.09 0.09 0.50 0.12 -1.91 0.00 0.00 174.94 173.83 1qf3 s PHE 87 N 1.42 3.31 0.17 3.50 5.36 -0.29 -1.43 117.98 130.03 1qf3 s PHE 87 Ca -0.06 0.66 0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1qf3 s PHE 87 Cb -0.12 -2.68 -0.05 0.00 -0.34 0.00 0.00 43.02 39.84 1qf3 s PHE 87 CO -0.06 -0.20 0.00 -0.59 -1.46 0.00 0.00 175.22 172.92 1qf3 s PHE 88 N 2.00 1.21 -0.08 10.12 -0.71 -0.57 -0.17 117.98 129.77 1qf3 s PHE 88 Ca 0.21 -1.02 0.01 0.00 -1.04 0.00 0.00 56.93 55.10 1qf3 s PHE 88 Cb -0.15 -0.69 0.02 0.00 -1.21 0.00 0.00 43.02 40.98 1qf3 s PHE 88 CO 0.09 -0.22 -0.10 0.42 -1.34 0.00 0.00 175.22 174.07 1qf3 s ILE 89 N -3.66 1.06 0.17 -4.49 1.01 0.94 -2.17 121.20 114.06 1qf3 s ILE 89 Ca 0.24 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1qf3 s ILE 89 Cb 0.06 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1qf3 s ILE 89 CO 0.04 0.35 0.25 0.00 0.00 0.00 0.00 174.94 175.58 1qf3 s ALA 90 N 1.02 0.23 0.81 9.38 0.00 -0.82 -1.40 121.76 130.98 1qf3 s ALA 90 Ca -0.08 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 1qf3 s ALA 90 Cb -0.15 0.94 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1qf3 s ALA 90 CO -0.00 -0.64 0.77 -2.30 0.00 0.00 0.00 175.76 173.59 1qf3 n PRO 91 N -0.22 0.11 0.34 0.00 -0.02 -1.26 -0.45 135.00 133.50 1qf3 n PRO 91 Ca -0.06 0.10 0.23 0.00 -2.02 0.00 0.00 63.50 61.75 1qf3 n PRO 91 Cb 0.63 -2.08 1.21 0.00 -0.02 0.00 0.00 33.50 33.25 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 -0.88 0.00 -0.47 -0.52 4.11 -1.84 -1.68 114.58 113.30 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 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 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 -3.07 2.42 -4.71 3.06 5.68 -1.26 -4.94 116.55 113.73 1qf3 n ASP 93 Ca -0.03 -2.09 -0.43 0.00 -0.50 0.00 0.00 54.79 51.74 1qf3 n ASP 93 Cb 0.08 -0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 39.70 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 0.62 0.08 -4.19 2.12 5.66 -0.63 -5.02 114.28 112.92 1qf3 n THR 94 Ca 0.14 -0.01 -0.12 0.00 -3.05 0.00 0.00 64.05 61.01 1qf3 n THR 94 Cb 0.42 -1.97 -0.10 0.00 -1.55 0.00 0.00 70.33 67.13 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 1.50 0.88 0.17 1.09 -1.52 -1.26 -5.09 119.66 115.43 1qf3 s GLN 95 Ca 0.77 -1.35 -0.32 0.00 -1.95 0.00 0.00 55.36 52.52 1qf3 s GLN 95 Cb -0.52 -0.32 -0.11 0.00 -0.22 0.00 0.00 33.01 31.84 1qf3 s GLN 95 CO 0.34 0.01 1.67 0.42 -0.25 0.00 0.00 175.29 177.48 1qf3 s ILE 96 N -3.47 2.43 0.22 1.08 1.01 -1.26 -4.88 121.20 116.34 1qf3 s ILE 96 Ca 0.12 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 1qf3 s ILE 96 Cb 0.04 -3.16 -0.16 0.00 0.01 0.00 0.00 42.46 39.20 1qf3 s ILE 96 CO -0.03 0.01 0.90 -2.65 0.00 0.00 0.00 174.94 173.17 1qf3 n PRO 97 N 4.35 0.83 -2.06 2.79 -0.02 -1.26 -4.88 135.00 134.76 1qf3 n PRO 97 Ca 0.15 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1qf3 n PRO 97 Cb 0.37 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.80 3.67 -0.91 3.55 0.00 -1.26 -2.19 121.76 123.83 1qf3 s ALA 98 Ca 0.65 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 1qf3 s ALA 98 Cb -0.83 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 18.70 1qf3 s ALA 98 CO 0.57 -0.76 0.07 0.41 0.00 0.00 0.00 175.76 176.05 1qf3 n GLY 99 N 3.67 -0.05 3.70 0.00 0.00 -1.26 -4.95 105.19 106.30 1qf3 n GLY 99 Ca 0.13 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.17 3.74 -0.54 1.61 2.88 -0.93 -4.87 113.62 115.33 1qf3 n SER 100 Ca -0.11 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1qf3 n SER 100 Cb 0.59 -1.53 0.42 0.00 -0.75 0.00 0.00 64.21 62.94 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 3.93 0.15 -0.07 2.46 -5.35 -1.26 -5.01 119.36 114.21 1qf3 n ILE 101 Ca 0.17 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1qf3 n ILE 101 Cb 0.33 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.15 3.19 7.00 3.28 0.00 -1.26 -4.68 105.19 113.87 1qf3 n GLY 102 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.19 0.00 -0.02 0.00 0.17 -2.16 105.19 105.37 1qf3 n GLY 103 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.16 0.16 -0.02 0.00 -1.26 -1.96 105.19 101.94 1qf3 n GLY 104 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.04 0.00 -1.29 2.61 -2.24 -0.92 -4.94 114.28 106.47 1qf3 n THR 105 Ca 0.03 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1qf3 n THR 105 Cb 0.02 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.96 -0.62 -0.12 3.22 4.77 -0.83 -1.66 117.00 120.81 1qf3 n LEU 106 Ca 0.10 0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 1qf3 n LEU 106 Cb 0.34 -2.34 -0.01 0.00 -2.33 0.00 0.00 43.42 39.09 1qf3 n LEU 106 CO 0.29 -0.87 -0.01 0.61 -1.33 0.00 0.00 177.39 176.08 1qf3 n GLY 107 N 0.02 0.52 0.00 -0.72 0.00 -1.26 -3.91 105.19 99.84 1qf3 n GLY 107 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.86 0.00 -4.41 1.61 0.24 -0.66 -4.46 118.33 107.78 1qf3 n VAL 108 Ca -0.02 -0.39 -0.20 0.00 -2.04 0.00 0.00 64.34 61.69 1qf3 n VAL 108 Cb 0.10 1.01 -0.11 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.75 2.04 0.74 -1.34 1.04 -1.16 -4.55 113.70 109.72 1qf3 s SER 109 Ca 0.00 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1qf3 s SER 109 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1qf3 s SER 109 CO 0.00 -0.64 0.00 -0.90 0.98 0.00 0.00 173.24 172.68 1qf3 n ASP 110 N -0.62 0.00 -0.06 7.02 5.68 0.11 -4.83 116.55 123.84 1qf3 n ASP 110 Ca -0.02 -0.86 0.01 0.00 -0.50 0.00 0.00 54.79 53.43 1qf3 n ASP 110 Cb 0.66 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.96 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 -0.74 1.17 0.00 2.12 2.02 -1.93 -0.94 112.91 114.61 1qf3 h THR 111 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1qf3 h THR 111 Cb 0.00 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1qf3 h THR 111 CO 0.00 0.20 0.00 0.29 0.37 0.00 0.00 175.52 176.38 1qf3 n LYS 112 N -4.37 0.14 -0.50 6.66 4.76 -1.26 -4.88 118.16 118.71 1qf3 n LYS 112 Ca 0.04 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1qf3 n LYS 112 Cb 0.14 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 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 0.64 0.71 3.93 0.72 0.00 -0.36 -4.94 105.19 105.88 1qf3 n GLY 113 Ca 0.04 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 3.95 0.03 4.61 0.00 -1.26 -1.07 121.76 126.02 1qf3 s ALA 114 Ca 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1qf3 s ALA 114 Cb 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.42 1qf3 s ALA 114 CO 0.00 0.60 0.79 0.41 0.00 0.00 0.00 175.76 177.57 1qf3 n GLY 115 N -0.34 0.52 2.98 0.00 0.00 -0.88 -0.71 105.19 106.75 1qf3 n GLY 115 Ca -0.07 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.73 3.41 0.04 1.61 2.46 -1.26 -4.47 115.29 114.35 1qf3 s HIS 116 Ca 0.18 -3.11 -0.28 0.00 0.47 0.00 0.00 55.06 52.32 1qf3 s HIS 116 Cb -0.01 -2.86 0.10 0.00 -0.13 0.00 0.00 32.58 29.68 1qf3 s HIS 116 CO 0.01 -0.82 1.11 -0.59 -2.47 0.00 0.00 174.74 171.98 1qf3 s PHE 117 N 0.17 -0.12 -0.03 3.88 -0.71 -1.26 -4.54 117.98 115.38 1qf3 s PHE 117 Ca 0.15 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 55.98 1qf3 s PHE 117 Cb -0.23 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.17 1qf3 s PHE 117 CO -0.03 -0.52 -0.04 0.08 -1.34 0.00 0.00 175.22 173.37 1qf3 s VAL 118 N -2.84 0.46 0.21 -2.49 1.01 -0.49 0.49 120.40 116.75 1qf3 s VAL 118 Ca 0.12 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1qf3 s VAL 118 Cb 0.01 -0.46 0.06 0.00 0.00 0.00 0.00 36.38 35.99 1qf3 s VAL 118 CO -0.02 0.18 0.93 -0.83 0.00 0.00 0.00 175.10 175.36 1qf3 s GLY 119 N 0.53 -0.03 -0.18 4.51 0.00 0.01 -0.04 107.32 112.11 1qf3 s GLY 119 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1qf3 s GLY 119 CO -0.00 0.60 -0.17 0.14 0.00 0.00 0.00 173.10 173.67 1qf3 s VAL 120 N -2.91 2.37 0.03 1.40 1.01 0.76 -0.35 120.40 122.70 1qf3 s VAL 120 Ca 0.15 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1qf3 s VAL 120 Cb -0.03 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1qf3 s VAL 120 CO 0.05 0.52 0.03 -1.83 0.00 0.00 0.00 175.10 173.87 1qf3 s GLU 121 N 1.25 2.81 -0.67 2.72 -1.05 -0.55 -1.14 118.70 122.07 1qf3 s GLU 121 Ca 0.03 -0.64 0.04 0.00 -0.15 0.00 0.00 54.97 54.25 1qf3 s GLU 121 Cb -0.14 -2.69 0.16 0.00 -0.44 0.00 0.00 34.13 31.02 1qf3 s GLU 121 CO -0.09 0.60 0.46 -0.06 0.95 0.00 0.00 175.26 177.12 1qf3 s PHE 122 N -1.20 3.51 -0.24 4.83 0.40 -0.27 -1.88 117.98 123.12 1qf3 s PHE 122 Ca 0.23 -3.27 -0.26 0.00 -0.60 0.00 0.00 56.93 53.03 1qf3 s PHE 122 Cb -0.12 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.63 1qf3 s PHE 122 CO 0.15 -0.61 0.91 0.34 0.70 0.00 0.00 175.22 176.70 1qf3 s ASP 123 N -1.05 6.93 -0.23 1.36 -1.08 -0.66 -2.40 116.67 119.53 1qf3 s ASP 123 Ca 0.23 1.16 0.14 0.00 -0.52 0.00 0.00 52.55 53.57 1qf3 s ASP 123 Cb -0.10 -2.47 0.62 0.00 -1.46 0.00 0.00 42.92 39.50 1qf3 s ASP 123 CO -0.12 -0.57 1.55 0.35 0.52 0.00 0.00 175.17 176.90 1qf3 n THR 124 N 5.27 2.52 -3.66 1.71 -2.24 -0.98 -2.10 114.28 114.80 1qf3 n THR 124 Ca 0.08 -1.86 -0.08 0.00 -2.27 0.00 0.00 64.05 59.92 1qf3 n THR 124 Cb 0.47 -0.29 -0.08 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 -2.90 -0.92 -0.79 4.78 6.14 -1.26 -4.68 117.35 117.72 1qf3 s TYR 125 Ca 0.47 1.83 -0.26 0.00 0.64 0.00 0.00 57.07 59.75 1qf3 s TYR 125 Cb 0.38 0.51 0.03 0.00 0.42 0.00 0.00 41.96 43.30 1qf3 s TYR 125 CO 0.10 -0.48 1.34 0.45 0.64 0.00 0.00 175.55 177.60 1qf3 s SER 126 N 1.74 6.19 -0.56 4.32 0.15 -1.26 -4.97 113.70 119.30 1qf3 s SER 126 Ca -0.09 -0.62 -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 -1.80 0.70 0.20 1.20 0.00 0.00 173.24 173.37 1qf3 s ASN 127 N 4.16 6.21 0.55 5.45 -0.87 -1.26 -4.93 114.94 124.25 1qf3 s ASN 127 Ca 0.39 -1.11 0.24 0.00 -1.57 0.00 0.00 52.86 50.80 1qf3 s ASN 127 Cb -0.07 -2.31 1.46 0.00 -0.02 0.00 0.00 41.25 40.31 1qf3 s ASN 127 CO 0.10 -1.05 2.08 0.77 -2.57 0.00 0.00 177.10 176.44 1qf3 h SER 128 N 9.14 0.00 0.77 -1.22 4.64 -1.93 -1.17 113.55 123.78 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 1.05 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 178.06 1qf3 h GLU 129 N 0.00 0.00 -0.27 4.77 9.09 -1.97 -2.21 114.58 123.99 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 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 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 -2.94 0.62 -3.63 2.06 4.01 -0.47 -4.98 117.16 111.82 1qf3 n TYR 130 Ca 0.00 -0.68 -0.24 0.00 -0.16 0.00 0.00 57.90 56.82 1qf3 n TYR 130 Cb 0.25 -0.16 0.07 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.07 -5.38 -4.77 7.72 3.02 -0.83 -4.17 115.26 110.77 1qf3 n ASN 131 Ca 0.15 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.75 1qf3 n ASN 131 Cb 0.62 -4.85 -0.00 0.00 -0.61 0.00 0.00 39.78 34.94 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 -3.50 5.81 0.71 6.41 1.01 -1.02 -4.89 116.67 121.21 1qf3 s ASP 132 Ca 0.50 2.20 -0.12 0.00 0.71 0.00 0.00 52.55 55.84 1qf3 s ASP 132 Cb -0.23 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.14 1qf3 s ASP 132 CO 0.75 -1.16 1.08 -2.84 0.21 0.00 0.00 175.17 173.20 1qf3 s PRO 133 N -3.17 2.70 0.00 8.23 0.02 -1.26 -4.79 135.00 136.73 1qf3 s PRO 133 Ca 0.71 1.10 0.16 0.00 0.02 0.00 0.00 61.00 62.99 1qf3 s PRO 133 Cb -0.25 -1.96 0.92 0.00 0.02 0.00 0.00 34.50 33.24 1qf3 s PRO 133 CO 0.28 -1.29 1.37 -0.35 -0.33 0.00 0.00 177.00 176.69 1qf3 n PRO 134 N -3.10 0.45 -4.46 5.54 -0.04 -1.26 -4.56 135.00 127.57 1qf3 n PRO 134 Ca 0.08 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 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 -2.09 0.62 0.82 0.52 -4.23 -1.26 -4.92 115.64 105.10 1qf3 s THR 135 Ca 0.22 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 1qf3 s THR 135 Cb 0.11 -2.45 0.09 0.00 1.34 0.00 0.00 72.50 71.59 1qf3 s THR 135 CO 0.19 0.00 1.18 -1.81 -0.54 0.00 0.00 174.62 173.64 1qf3 s ASP 136 N -3.54 3.61 0.09 3.99 1.01 -1.26 -4.79 116.67 115.79 1qf3 s ASP 136 Ca 0.28 2.26 -0.26 0.00 0.71 0.00 0.00 52.55 55.54 1qf3 s ASP 136 Cb 0.04 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.47 1qf3 s ASP 136 CO 0.15 -2.65 0.92 -1.38 0.21 0.00 0.00 175.17 172.43 1qf3 s HIS 137 N -2.33 -0.22 -0.05 4.23 -3.43 -0.89 -1.82 115.29 110.78 1qf3 s HIS 137 Ca 0.70 -0.01 0.05 0.00 -0.80 0.00 0.00 55.06 55.00 1qf3 s HIS 137 Cb -0.26 0.60 -0.02 0.00 -1.43 0.00 0.00 32.58 31.47 1qf3 s HIS 137 CO 0.52 -0.72 -0.18 0.08 -2.00 0.00 0.00 174.74 172.44 1qf3 s VAL 138 N -3.23 2.73 0.04 -5.38 1.01 -0.58 -1.66 120.40 113.33 1qf3 s VAL 138 Ca 0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1qf3 s VAL 138 Cb -0.01 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 1qf3 s VAL 138 CO -0.03 0.58 0.17 -0.83 0.00 0.00 0.00 175.10 175.00 1qf3 s GLY 139 N -0.59 0.07 -0.23 4.51 0.00 -0.79 -0.72 107.32 109.57 1qf3 s GLY 139 Ca 0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 1qf3 s GLY 139 CO 0.01 -0.55 0.19 -0.42 0.00 0.00 0.00 173.10 172.33 1qf3 s ILE 140 N -2.73 5.34 -0.20 0.90 -1.09 0.05 -1.48 121.20 121.99 1qf3 s ILE 140 Ca -0.04 0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1qf3 s ILE 140 Cb -0.00 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1qf3 s ILE 140 CO -0.05 0.33 -0.08 -1.81 -1.23 0.00 0.00 174.94 172.11 1qf3 s ASP 141 N 1.04 4.10 -0.36 3.58 1.01 0.52 -1.21 116.67 125.35 1qf3 s ASP 141 Ca 0.09 -0.41 0.02 0.00 0.71 0.00 0.00 52.55 52.96 1qf3 s ASP 141 Cb -0.14 -1.68 0.10 0.00 1.01 0.00 0.00 42.92 42.21 1qf3 s ASP 141 CO 0.05 0.02 0.09 -0.69 0.21 0.00 0.00 175.17 174.85 1qf3 s VAL 142 N 1.23 2.61 -2.07 -1.27 1.01 -1.26 -0.81 120.40 119.84 1qf3 s VAL 142 Ca 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.81 1qf3 s VAL 142 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1qf3 s VAL 142 CO -0.03 -0.59 0.00 0.59 0.00 0.00 0.00 175.10 175.07 1qf3 n ASN 143 N 4.38 -5.54 -3.60 3.32 3.02 0.18 -4.92 115.26 112.09 1qf3 n ASN 143 Ca 0.01 0.36 -0.07 0.00 -0.03 0.00 0.00 54.58 54.85 1qf3 n ASN 143 Cb 0.42 -4.81 -0.05 0.00 -0.61 0.00 0.00 39.78 34.72 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 -2.55 -0.25 0.00 6.41 0.15 -1.26 -2.07 113.70 114.14 1qf3 s SER 144 Ca 0.00 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.20 1qf3 s SER 144 Cb 0.00 0.22 1.15 0.00 -1.71 0.00 0.00 66.02 65.68 1qf3 s SER 144 CO 0.00 -0.22 1.79 1.33 1.20 0.00 0.00 173.24 177.34 1qf3 n VAL 145 N 0.73 0.05 -2.90 4.45 0.24 -0.23 -4.35 118.33 116.31 1qf3 n VAL 145 Ca -0.07 -0.20 -0.44 0.00 -2.04 0.00 0.00 64.34 61.59 1qf3 n VAL 145 Cb 0.58 0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.87 6.54 0.25 -1.34 -1.08 -1.26 -4.91 116.67 113.00 1qf3 s ASP 146 Ca 0.38 -1.84 -0.30 0.00 -0.52 0.00 0.00 52.55 50.27 1qf3 s ASP 146 Cb 0.20 -2.41 -0.14 0.00 -1.46 0.00 0.00 42.92 39.11 1qf3 s ASP 146 CO 0.32 -1.15 1.15 -1.20 0.52 0.00 0.00 175.17 174.81 1qf3 n SER 147 N 6.83 1.72 -0.05 -0.34 7.64 -1.26 -4.84 113.62 123.32 1qf3 n SER 147 Ca 0.19 1.16 -0.05 0.00 1.01 0.00 0.00 58.87 61.18 1qf3 n SER 147 Cb 0.48 -1.31 0.14 0.00 -1.01 0.00 0.00 64.21 62.52 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 2.43 1.27 -2.49 0.44 2.07 -1.49 -3.45 116.25 115.03 1qf3 h VAL 148 Ca -0.42 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 1qf3 h VAL 148 Cb 1.32 1.23 -0.22 0.00 -1.52 0.00 0.00 31.29 32.10 1qf3 h VAL 148 CO 0.66 0.42 -0.08 -0.75 0.02 0.00 0.00 177.57 177.84 1qf3 s LYS 149 N -4.60 0.69 0.13 1.57 2.20 -1.23 -5.01 119.74 113.48 1qf3 s LYS 149 Ca -0.08 0.52 -0.00 0.00 -0.36 0.00 0.00 55.97 56.04 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 -0.13 0.02 0.95 -0.36 0.00 0.00 175.35 176.64 1qf3 s THR 150 N -0.19 0.31 -0.07 3.43 -4.23 -1.26 -0.77 115.64 112.87 1qf3 s THR 150 Ca -0.04 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1qf3 s THR 150 Cb -0.03 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.89 1qf3 s THR 150 CO 0.03 -0.59 0.15 0.54 -0.54 0.00 0.00 174.62 174.21 1qf3 s VAL 151 N -3.90 -0.04 0.45 2.29 0.11 0.10 -4.98 120.40 114.44 1qf3 s VAL 151 Ca 0.20 0.13 -0.23 0.00 -2.93 0.00 0.00 61.98 59.16 1qf3 s VAL 151 Cb 0.07 -0.24 -0.10 0.00 -1.53 0.00 0.00 36.38 34.58 1qf3 s VAL 151 CO -0.00 0.06 0.97 -2.65 -3.33 0.00 0.00 175.10 170.15 1qf3 n PRO 152 N 3.92 1.24 -3.49 1.54 -0.02 -1.26 -1.53 135.00 135.40 1qf3 n PRO 152 Ca -0.23 0.45 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1qf3 n PRO 152 Cb 0.54 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1qf3 n PRO 152 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1qf3 n TRP 153 N -0.73 -1.47 -3.67 6.00 -0.00 -0.75 -4.76 117.44 112.07 1qf3 n TRP 153 Ca 0.10 -1.85 -0.11 0.00 -0.00 0.00 0.00 57.50 55.64 1qf3 n TRP 153 Cb 0.41 0.52 -0.12 0.00 -0.00 0.00 0.00 31.31 32.13 1qf3 n TRP 153 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1qf3 s ASN 154 N -2.77 0.03 -0.26 5.87 2.47 -1.26 -4.11 114.94 114.90 1qf3 s ASN 154 Ca 0.22 0.78 -0.16 0.00 0.42 0.00 0.00 52.86 54.11 1qf3 s ASN 154 Cb -0.02 0.97 -0.03 0.00 -1.45 0.00 0.00 41.25 40.72 1qf3 s ASN 154 CO 0.16 -0.23 0.41 -0.55 -3.72 0.00 0.00 177.10 173.17 1qf3 s SER 155 N 2.40 6.32 -0.25 -4.21 0.15 -1.26 -5.05 113.70 111.80 1qf3 s SER 155 Ca -0.01 0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.93 1qf3 s SER 155 Cb -0.12 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1qf3 s SER 155 CO -0.11 -0.20 0.09 -0.69 1.20 0.00 0.00 173.24 173.54 1qf3 s VAL 156 N 2.05 4.55 0.23 4.45 1.01 -1.26 -5.06 120.40 126.36 1qf3 s VAL 156 Ca 0.17 -0.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 1qf3 s VAL 156 Cb -0.16 -3.13 -0.12 0.00 0.00 0.00 0.00 36.38 32.97 1qf3 s VAL 156 CO 0.09 0.33 1.67 -0.24 0.00 0.00 0.00 175.10 176.96 1qf3 n SER 157 N 4.81 3.86 0.00 3.32 2.88 -1.26 -1.89 113.62 125.33 1qf3 n SER 157 Ca -0.16 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1qf3 n SER 157 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 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 3.43 0.67 3.77 0.46 0.00 -0.15 -4.95 105.19 108.42 1qf3 n GLY 158 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.81 3.60 -0.23 4.61 0.00 -0.79 -4.98 121.76 121.17 1qf3 s ALA 159 Ca 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 1qf3 s ALA 159 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1qf3 s ALA 159 CO 0.00 0.22 0.92 0.08 0.00 0.00 0.00 175.76 176.98 1qf3 s VAL 160 N -0.08 4.78 -0.05 0.00 1.01 -1.26 -4.25 120.40 120.55 1qf3 s VAL 160 Ca 0.22 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1qf3 s VAL 160 Cb -0.15 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1qf3 s VAL 160 CO 0.09 -0.10 -0.02 -0.69 0.00 0.00 0.00 175.10 174.38 1qf3 s VAL 161 N 2.88 4.08 -0.05 2.92 1.01 -0.35 -4.42 120.40 126.47 1qf3 s VAL 161 Ca 0.39 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1qf3 s VAL 161 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1qf3 s VAL 161 CO 0.08 0.52 -0.21 -0.54 0.00 0.00 0.00 175.10 174.94 1qf3 s LYS 162 N -1.11 2.53 0.01 2.72 1.02 -1.12 -1.60 119.74 122.18 1qf3 s LYS 162 Ca 0.15 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1qf3 s LYS 162 Cb -0.11 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1qf3 s LYS 162 CO 0.05 0.46 -0.13 0.08 -0.92 0.00 0.00 175.35 174.89 1qf3 s VAL 163 N -0.35 1.02 -0.06 3.17 1.01 -0.17 -0.64 120.40 124.39 1qf3 s VAL 163 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1qf3 s VAL 163 Cb -0.12 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1qf3 s VAL 163 CO 0.02 0.17 -0.12 -0.89 0.00 0.00 0.00 175.10 174.28 1qf3 s THR 164 N -0.52 1.07 -0.05 3.92 2.01 -0.36 -1.93 115.64 119.78 1qf3 s THR 164 Ca 0.03 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.62 1qf3 s THR 164 Cb -0.06 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1qf3 s THR 164 CO 0.00 0.34 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.41 1qf3 s VAL 165 N 0.57 1.41 -0.08 3.82 1.01 0.64 -0.75 120.40 127.02 1qf3 s VAL 165 Ca -0.12 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1qf3 s VAL 165 Cb -0.14 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1qf3 s VAL 165 CO 0.03 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 174.78 1qf3 s ILE 166 N 0.20 1.24 -0.20 2.22 1.01 -0.33 -1.57 121.20 123.78 1qf3 s ILE 166 Ca -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1qf3 s ILE 166 Cb -0.13 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.23 1qf3 s ILE 166 CO 0.03 0.38 -0.18 -0.47 0.00 0.00 0.00 174.94 174.70 1qf3 s TYR 167 N 0.77 2.88 -0.37 3.97 5.04 -0.46 -1.47 117.35 127.71 1qf3 s TYR 167 Ca -0.12 -1.77 -0.15 0.00 -2.44 0.00 0.00 57.07 52.60 1qf3 s TYR 167 Cb -0.16 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.23 1qf3 s TYR 167 CO 0.02 -0.82 0.31 0.34 -1.34 0.00 0.00 175.55 174.07 1qf3 s ASP 168 N 1.26 6.12 0.22 4.32 2.15 -0.43 -2.47 116.67 127.84 1qf3 s ASP 168 Ca 0.02 -0.52 -0.07 0.00 0.43 0.00 0.00 52.55 52.41 1qf3 s ASP 168 Cb -0.14 -2.17 0.31 0.00 -0.30 0.00 0.00 42.92 40.62 1qf3 s ASP 168 CO -0.11 -0.36 1.79 0.77 -0.17 0.00 0.00 175.17 177.09 1qf3 h SER 169 N 8.55 0.49 0.04 -0.34 4.64 -1.86 0.36 113.55 125.43 1qf3 h SER 169 Ca -0.29 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1qf3 h SER 169 Cb 1.14 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 1qf3 h SER 169 CO 0.69 0.29 -0.28 0.28 -0.87 0.00 0.00 176.83 176.95 1qf3 h SER 170 N 0.63 -0.81 0.59 4.97 0.02 -1.93 -2.87 113.55 114.14 1qf3 h SER 170 Ca 0.34 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1qf3 h SER 170 Cb 0.32 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1qf3 h SER 170 CO -0.25 -0.35 -0.63 0.35 -1.14 0.00 0.00 176.83 174.81 1qf3 n THR 171 N -5.39 0.13 -3.13 -2.27 -2.24 -1.17 -4.95 114.28 95.26 1qf3 n THR 171 Ca -0.05 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1qf3 n THR 171 Cb 0.30 0.15 0.05 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.76 -5.46 -3.72 -0.78 5.02 0.12 -4.85 118.16 106.74 1qf3 n LYS 172 Ca 0.04 0.84 -0.37 0.00 -2.02 0.00 0.00 58.31 56.80 1qf3 n LYS 172 Cb 0.38 -5.64 -0.06 0.00 -0.02 0.00 0.00 35.03 29.69 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 -3.19 5.34 -0.20 -0.18 2.01 -1.08 -0.53 115.64 117.81 1qf3 s THR 173 Ca 0.36 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.81 1qf3 s THR 173 Cb -0.16 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1qf3 s THR 173 CO 0.45 0.56 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.55 1qf3 s LEU 174 N -0.72 2.51 -0.00 4.42 2.96 -0.11 -1.31 118.68 126.43 1qf3 s LEU 174 Ca 0.17 -0.87 0.07 0.00 -0.22 0.00 0.00 54.13 53.28 1qf3 s LEU 174 Cb -0.13 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1qf3 s LEU 174 CO 0.06 -0.06 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.86 1qf3 s SER 175 N 1.24 2.69 -0.02 3.68 1.04 -0.54 -0.92 113.70 120.88 1qf3 s SER 175 Ca 0.01 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1qf3 s SER 175 Cb -0.15 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.67 1qf3 s SER 175 CO -0.10 0.26 -0.18 -0.69 0.98 0.00 0.00 173.24 173.51 1qf3 s VAL 176 N -0.59 1.41 -0.15 5.02 1.01 -0.15 -1.18 120.40 125.76 1qf3 s VAL 176 Ca 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1qf3 s VAL 176 Cb -0.09 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1qf3 s VAL 176 CO -0.00 0.40 -0.11 0.00 0.00 0.00 0.00 175.10 175.39 1qf3 s ALA 177 N -0.38 1.73 -0.22 5.51 0.00 0.07 -2.29 121.76 126.19 1qf3 s ALA 177 Ca 0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1qf3 s ALA 177 Cb -0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1qf3 s ALA 177 CO -0.00 -0.52 -0.00 0.08 0.00 0.00 0.00 175.76 175.31 1qf3 s VAL 178 N 1.53 3.82 -0.43 0.00 1.01 0.11 -1.22 120.40 125.22 1qf3 s VAL 178 Ca 0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1qf3 s VAL 178 Cb -0.14 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1qf3 s VAL 178 CO -0.09 0.41 0.33 -0.89 0.00 0.00 0.00 175.10 174.86 1qf3 s THR 179 N 1.29 5.17 0.96 3.92 2.01 0.19 -0.28 115.64 128.89 1qf3 s THR 179 Ca 0.04 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 1qf3 s THR 179 Cb -0.15 -3.98 0.16 0.00 0.01 0.00 0.00 72.50 68.55 1qf3 s THR 179 CO 0.01 -0.43 1.10 0.20 -0.69 0.00 0.00 174.62 174.81 1qf3 s ASN 180 N 2.08 3.01 0.17 3.53 0.01 -0.05 -2.80 114.94 120.89 1qf3 s ASN 180 Ca 0.04 1.20 -0.14 0.00 -0.71 0.00 0.00 52.86 53.26 1qf3 s ASN 180 Cb -0.21 -1.86 0.10 0.00 0.41 0.00 0.00 41.25 39.68 1qf3 s ASN 180 CO 0.08 -2.89 1.81 -0.78 -1.51 0.00 0.00 177.10 173.81 1qf3 h ASP 181 N -1.73 0.46 0.00 -1.22 3.58 -1.87 -2.57 116.42 113.07 1qf3 h ASP 181 Ca -0.53 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1qf3 h ASP 181 Cb 1.32 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1qf3 h ASP 181 CO 0.58 0.33 0.00 -0.46 -2.88 0.00 0.00 179.24 176.80 1qf3 n ASN 182 N -4.82 0.00 0.00 2.28 2.04 -1.26 -4.88 115.26 108.62 1qf3 n ASN 182 Ca 0.03 -0.82 0.00 0.00 -0.44 0.00 0.00 54.58 53.35 1qf3 n ASN 182 Cb 0.08 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 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 0.36 2.31 3.74 4.83 0.00 -0.97 -5.07 105.19 110.39 1qf3 n GLY 183 Ca 0.14 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 0.47 4.77 0.09 1.61 1.11 -1.26 -4.70 116.67 118.76 1qf3 s ASP 184 Ca 0.00 2.46 0.10 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 -1.88 -0.27 0.27 1.18 0.00 0.00 175.17 174.47 1qf3 s ILE 185 N -1.62 2.20 -0.05 0.77 -4.36 -1.26 -0.88 121.20 116.00 1qf3 s ILE 185 Ca 0.78 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 59.62 1qf3 s ILE 185 Cb -0.32 -1.92 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 1qf3 s ILE 185 CO 0.38 0.20 -0.19 -0.89 0.24 0.00 0.00 174.94 174.68 1qf3 s THR 186 N -0.95 1.59 0.13 8.37 2.01 0.62 -4.95 115.64 122.45 1qf3 s THR 186 Ca 0.13 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.39 1qf3 s THR 186 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1qf3 s THR 186 CO 0.04 0.45 -0.13 0.42 -0.69 0.00 0.00 174.62 174.72 1qf3 s THR 187 N 0.03 1.31 -0.23 -0.82 -4.23 -1.26 0.06 115.64 110.50 1qf3 s THR 187 Ca -0.05 -1.84 -0.21 0.00 -1.18 0.00 0.00 61.69 58.41 1qf3 s THR 187 Cb -0.12 -1.64 0.06 0.00 1.34 0.00 0.00 72.50 72.14 1qf3 s THR 187 CO 0.03 -0.52 0.61 -0.51 -0.54 0.00 0.00 174.62 173.69 1qf3 s ILE 188 N -2.50 0.00 0.02 2.99 2.07 -0.97 -4.98 121.20 117.82 1qf3 s ILE 188 Ca 0.12 -0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.35 1qf3 s ILE 188 Cb -0.03 -0.85 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 1qf3 s ILE 188 CO 0.03 -0.00 -0.02 0.00 -1.91 0.00 0.00 174.94 173.04 1qf3 s ALA 189 N 0.32 0.09 -0.15 1.50 0.00 -1.26 -0.98 121.76 121.27 1qf3 s ALA 189 Ca -0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 1qf3 s ALA 189 Cb -0.04 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.26 1qf3 s ALA 189 CO 0.01 -0.15 0.57 -1.14 0.00 0.00 0.00 175.76 175.05 1qf3 s GLN 190 N -1.31 0.77 -0.22 0.00 2.00 -0.10 -4.98 119.66 115.81 1qf3 s GLN 190 Ca -0.14 0.55 -0.24 0.00 -2.00 0.00 0.00 55.36 53.53 1qf3 s GLN 190 Cb -0.09 0.37 -0.01 0.00 0.80 0.00 0.00 33.01 34.08 1qf3 s GLN 190 CO -0.01 -0.15 0.79 0.08 -0.50 0.00 0.00 175.29 175.50 1qf3 s VAL 191 N -0.26 4.88 -0.09 1.34 1.01 -1.26 -0.93 120.40 125.09 1qf3 s VAL 191 Ca -0.04 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 1qf3 s VAL 191 Cb -0.03 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1qf3 s VAL 191 CO 0.03 -0.02 -0.01 -0.69 0.00 0.00 0.00 175.10 174.42 1qf3 s VAL 192 N 2.56 0.48 -0.82 2.92 1.01 0.31 -4.99 120.40 121.88 1qf3 s VAL 192 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.09 1qf3 s VAL 192 Cb -0.16 -0.65 0.07 0.00 0.00 0.00 0.00 36.38 35.64 1qf3 s VAL 192 CO 0.09 0.23 1.19 -0.62 0.00 0.00 0.00 175.10 175.99 1qf3 s ASP 193 N 1.93 6.34 0.48 3.32 -1.08 -1.26 -4.70 116.67 121.69 1qf3 s ASP 193 Ca 0.04 -1.18 0.13 0.00 -0.52 0.00 0.00 52.55 51.03 1qf3 s ASP 193 Cb -0.13 -2.48 1.11 0.00 -1.46 0.00 0.00 42.92 39.96 1qf3 s ASP 193 CO -0.06 -1.48 2.10 -0.07 0.52 0.00 0.00 175.17 176.18 1qf3 h LEU 194 N 11.90 0.15 -1.61 -1.34 3.38 -1.96 -2.17 115.31 123.66 1qf3 h LEU 194 Ca -0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1qf3 h LEU 194 Cb 1.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1qf3 h LEU 194 CO 1.25 0.13 -0.16 0.50 0.09 0.00 0.00 178.44 180.25 1qf3 h LYS 195 N 0.17 0.00 0.00 1.13 3.64 -1.89 -1.40 116.57 118.21 1qf3 h LYS 195 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1qf3 h LYS 195 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1qf3 h LYS 195 CO -0.01 0.16 -1.09 0.00 -2.27 0.00 0.00 179.45 176.25 1qf3 n ALA 196 N -2.25 4.46 -0.03 5.00 0.00 -0.83 -4.50 120.51 122.36 1qf3 n ALA 196 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 53.44 52.85 1qf3 n ALA 196 Cb 0.31 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.60 1.51 -4.34 0.00 4.76 -1.11 -5.05 118.16 112.33 1qf3 n LYS 197 Ca 0.03 -0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.25 1qf3 n LYS 197 Cb 0.36 -1.25 -0.10 0.00 -1.84 0.00 0.00 35.03 32.19 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 -4.31 2.41 0.78 -0.35 1.43 -0.54 -4.90 118.68 113.20 1qf3 s LEU 198 Ca -0.04 -1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 51.84 1qf3 s LEU 198 Cb 0.05 -0.46 0.11 0.00 0.03 0.00 0.00 46.19 45.91 1qf3 s LEU 198 CO 0.42 -0.36 1.11 -2.16 0.23 0.00 0.00 176.35 175.58 1qf3 s PRO 199 N -3.76 1.70 0.26 1.29 0.04 -1.26 -4.64 135.00 128.63 1qf3 s PRO 199 Ca 0.25 -0.38 -0.02 0.00 0.04 0.00 0.00 61.00 60.89 1qf3 s PRO 199 Cb 0.03 -2.09 0.50 0.00 0.04 0.00 0.00 34.50 32.98 1qf3 s PRO 199 CO 0.07 -1.61 1.76 0.93 0.04 0.00 0.00 177.00 178.20 1qf3 h GLU 200 N -0.90 0.59 -5.41 4.56 5.08 -1.95 -3.40 114.58 113.15 1qf3 h GLU 200 Ca -0.43 -0.04 -0.64 0.00 -1.00 0.00 0.00 59.36 57.25 1qf3 h GLU 200 Cb 1.29 -0.13 -0.19 0.00 0.50 0.00 0.00 28.75 30.22 1qf3 h GLU 200 CO 0.52 0.39 -0.63 1.03 -1.00 0.00 0.00 179.01 179.32 1qf3 s ARG 201 N -5.99 3.64 0.32 2.33 0.52 -1.26 -1.58 118.95 116.94 1qf3 s ARG 201 Ca -0.12 -0.45 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 1qf3 s ARG 201 Cb 0.21 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 1qf3 s ARG 201 CO 0.78 0.33 0.24 0.14 0.02 0.00 0.00 175.30 176.80 1qf3 s VAL 202 N 0.15 0.08 0.00 3.52 -7.23 -0.34 -3.47 120.40 113.12 1qf3 s VAL 202 Ca 0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1qf3 s VAL 202 Cb -0.13 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 1qf3 s VAL 202 CO 0.02 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.17 1qf3 s LYS 203 N -3.59 0.75 -0.01 4.82 1.02 0.41 -1.05 119.74 122.09 1qf3 s LYS 203 Ca 0.38 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.97 1qf3 s LYS 203 Cb 0.03 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.59 1qf3 s LYS 203 CO 0.24 0.19 0.01 -0.06 -0.92 0.00 0.00 175.35 174.81 1qf3 s PHE 204 N -0.38 3.11 0.01 3.18 0.40 -1.26 -1.94 117.98 121.10 1qf3 s PHE 204 Ca 0.02 0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.33 1qf3 s PHE 204 Cb -0.05 -1.69 0.04 0.00 0.51 0.00 0.00 43.02 41.84 1qf3 s PHE 204 CO -0.00 0.47 0.59 0.41 0.70 0.00 0.00 175.22 177.39 1qf3 n GLY 205 N 1.42 0.54 3.34 4.36 0.00 -0.92 -0.96 105.19 112.96 1qf3 n GLY 205 Ca -0.15 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.87 1.89 0.01 1.61 0.08 -0.06 -1.52 117.98 117.12 1qf3 s PHE 206 Ca 0.14 -0.44 -0.06 0.00 0.12 0.00 0.00 56.93 56.69 1qf3 s PHE 206 Cb -0.01 -0.96 -0.00 0.00 -0.57 0.00 0.00 43.02 41.48 1qf3 s PHE 206 CO 0.00 0.33 0.10 0.45 -0.10 0.00 0.00 175.22 176.00 1qf3 s SER 207 N -2.49 0.08 0.10 1.36 0.15 -0.51 -1.17 113.70 111.21 1qf3 s SER 207 Ca 0.14 -0.29 -0.11 0.00 0.70 0.00 0.00 55.95 56.39 1qf3 s SER 207 Cb -0.07 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1qf3 s SER 207 CO 0.06 -0.37 0.25 0.00 1.20 0.00 0.00 173.24 174.38 1qf3 s ALA 208 N -1.52 -0.42 0.21 5.45 0.00 -0.66 -1.02 121.76 123.81 1qf3 s ALA 208 Ca -0.14 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 1qf3 s ALA 208 Cb -0.07 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.61 1qf3 s ALA 208 CO 0.01 -0.54 0.58 -1.54 0.00 0.00 0.00 175.76 174.26 1qf3 s SER 209 N -2.82 -0.30 0.20 0.00 1.04 -1.24 -2.26 113.70 108.32 1qf3 s SER 209 Ca 0.04 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1qf3 s SER 209 Cb 0.04 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 1qf3 s SER 209 CO -0.11 -1.11 0.18 0.61 0.98 0.00 0.00 173.24 173.79 1qf3 n GLY 210 N -0.38 3.31 0.00 7.32 0.00 -0.64 -1.17 105.19 113.64 1qf3 n GLY 210 Ca -0.09 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1qf3 n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf3 n SER 211 N -2.18 0.00 -0.06 1.61 3.41 0.35 0.44 113.62 117.19 1qf3 n SER 211 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.57 1qf3 n SER 211 Cb 0.37 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.00 0.00 1.04 6.46 -1.92 -2.81 115.31 118.07 1qf3 h LEU 212 Ca 0.00 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1qf3 h LEU 212 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1qf3 h LEU 212 CO 0.00 0.82 -0.95 0.61 -0.62 0.00 0.00 178.44 178.29 1qf3 n GLY 213 N 1.67 -1.15 3.45 3.75 0.00 -1.26 -4.83 105.19 106.82 1qf3 n GLY 213 Ca -0.07 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.38 1.87 -0.13 -0.02 0.00 -1.26 -1.61 107.32 102.79 1qf3 s GLY 214 Ca 0.06 -1.36 -0.23 0.00 0.00 0.00 0.00 44.72 43.19 1qf3 s GLY 214 CO 0.80 0.69 0.57 0.50 0.00 0.00 0.00 173.10 175.66 1qf3 s ARG 215 N 1.63 0.80 0.18 2.90 0.52 0.58 -0.49 118.95 125.07 1qf3 s ARG 215 Ca 0.05 0.46 -0.24 0.00 -0.52 0.00 0.00 55.73 55.48 1qf3 s ARG 215 Cb -0.17 0.38 0.05 0.00 0.52 0.00 0.00 34.95 35.73 1qf3 s ARG 215 CO 0.07 -0.18 0.86 1.14 0.02 0.00 0.00 175.30 177.20 1qf3 s GLN 216 N -0.46 1.36 0.03 3.54 -2.07 -1.22 -4.19 119.66 116.65 1qf3 s GLN 216 Ca -0.06 -0.72 -0.28 0.00 -1.82 0.00 0.00 55.36 52.48 1qf3 s GLN 216 Cb -0.03 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.33 1qf3 s GLN 216 CO 0.04 -0.62 0.88 0.42 -1.32 0.00 0.00 175.29 174.69 1qf3 s ILE 217 N -3.50 4.76 -0.25 3.63 1.01 -0.32 -4.89 121.20 121.64 1qf3 s ILE 217 Ca 0.11 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.64 1qf3 s ILE 217 Cb -0.03 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.28 1qf3 s ILE 217 CO 0.02 0.27 -0.08 -1.00 0.00 0.00 0.00 174.94 174.15 1qf3 s HIS 218 N 0.42 2.92 -0.04 3.97 3.76 -1.26 -2.13 115.29 122.94 1qf3 s HIS 218 Ca 0.45 -2.11 0.05 0.00 -0.15 0.00 0.00 55.06 53.30 1qf3 s HIS 218 Cb -0.21 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 1qf3 s HIS 218 CO 0.26 -0.84 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.61 1qf3 s LEU 219 N 1.22 2.47 -0.21 0.89 1.43 0.06 -1.11 118.68 123.44 1qf3 s LEU 219 Ca -0.07 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1qf3 s LEU 219 Cb -0.20 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1qf3 s LEU 219 CO -0.06 0.33 -0.07 -0.63 0.23 0.00 0.00 176.35 176.16 1qf3 s ILE 220 N -0.67 3.21 -0.21 -0.59 -1.09 -0.33 -1.81 121.20 119.70 1qf3 s ILE 220 Ca 0.11 -0.55 0.04 0.00 -2.23 0.00 0.00 60.65 58.02 1qf3 s ILE 220 Cb -0.10 -2.44 -0.20 0.00 -1.58 0.00 0.00 42.46 38.13 1qf3 s ILE 220 CO -0.00 0.45 -0.02 0.54 -1.23 0.00 0.00 174.94 174.67 1qf3 n ARG 221 N 4.65 0.68 -3.77 2.79 1.74 -0.25 -1.92 116.66 120.56 1qf3 n ARG 221 Ca -0.18 0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1qf3 n ARG 221 Cb 0.51 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 -6.37 -0.28 -0.29 0.55 1.04 -1.23 -4.44 113.70 102.68 1qf3 s SER 222 Ca -0.26 -0.52 -0.16 0.00 0.48 0.00 0.00 55.95 55.49 1qf3 s SER 222 Cb 0.08 0.65 0.15 0.00 0.10 0.00 0.00 66.02 66.99 1qf3 s SER 222 CO 0.69 -1.17 0.97 0.86 0.98 0.00 0.00 173.24 175.56 1qf3 s TRP 223 N -3.89 -0.60 0.05 5.02 -0.00 -0.43 -2.82 118.94 116.27 1qf3 s TRP 223 Ca 0.10 1.17 0.06 0.00 -0.00 0.00 0.00 56.10 57.43 1qf3 s TRP 223 Cb -0.03 0.36 -0.02 0.00 -0.00 0.00 0.00 33.47 33.77 1qf3 s TRP 223 CO 0.01 -0.30 -0.16 -1.54 -0.00 0.00 0.00 176.95 174.97 1qf3 s SER 224 N 1.50 1.90 -0.08 5.86 1.04 -0.64 0.50 113.70 123.77 1qf3 s SER 224 Ca -0.08 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.68 1qf3 s SER 224 Cb -0.04 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.99 1qf3 s SER 224 CO -0.15 0.04 0.36 0.12 0.98 0.00 0.00 173.24 174.59 1qf3 s PHE 225 N -0.94 -0.33 -0.14 5.02 2.19 -0.20 -2.38 117.98 121.21 1qf3 s PHE 225 Ca 0.03 0.70 -0.10 0.00 0.33 0.00 0.00 56.93 57.89 1qf3 s PHE 225 Cb -0.09 0.14 0.04 0.00 -1.31 0.00 0.00 43.02 41.81 1qf3 s PHE 225 CO 0.02 -0.30 0.34 0.99 1.83 0.00 0.00 175.22 178.10 1qf3 s THR 226 N -0.53 -0.02 0.02 0.12 2.01 -0.86 -1.36 115.64 115.01 1qf3 s THR 226 Ca -0.06 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1qf3 s THR 226 Cb -0.04 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 1qf3 s THR 226 CO 0.03 0.03 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.00 1qf3 s SER 227 N 0.84 0.45 -0.04 3.53 1.04 -0.02 -1.49 113.70 118.01 1qf3 s SER 227 Ca -0.05 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 1qf3 s SER 227 Cb -0.06 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1qf3 s SER 227 CO -0.06 -0.13 0.00 -0.89 0.98 0.00 0.00 173.24 173.15 1qf3 s THR 228 N -0.82 0.20 -0.16 2.02 2.01 -0.63 -1.59 115.64 116.66 1qf3 s THR 228 Ca -0.07 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1qf3 s THR 228 Cb -0.06 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1qf3 s THR 228 CO -0.00 0.17 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.77 1qf3 s LEU 229 N 1.26 2.74 -0.37 4.42 2.96 0.52 -2.17 118.68 128.04 1qf3 s LEU 229 Ca -0.06 -0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 1qf3 s LEU 229 Cb -0.13 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1qf3 s LEU 229 CO -0.02 0.11 1.23 -0.63 -1.32 0.00 0.00 176.35 175.72 1qf3 s ILE 230 N 0.69 4.20 -1.13 6.68 1.01 -1.26 -0.42 121.20 130.96 1qf3 s ILE 230 Ca -0.06 1.31 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 1qf3 s ILE 230 Cb -0.15 -4.33 0.27 0.00 0.01 0.00 0.00 42.46 38.26 1qf3 s ILE 230 CO 0.02 -0.66 1.64 0.35 0.00 0.00 0.00 174.94 176.29 1qf3 n THR 231 N 6.44 5.17 0.00 2.92 -2.24 -1.26 -4.86 114.28 120.44 1qf3 n THR 231 Ca 0.14 -5.53 0.00 0.00 -2.27 0.00 0.00 64.05 56.39 1qf3 n THR 231 Cb 0.48 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 1qf3 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57