#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf3 s THR 43 N 0.00 3.60 0.42 2.62 2.01 -1.26 -5.09 115.64 117.94 2qf3 s THR 43 Ca 0.00 -0.41 -0.27 0.00 0.31 0.00 0.00 61.69 61.32 2qf3 s THR 43 Cb 0.00 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.76 2qf3 s THR 43 CO 0.00 0.40 1.47 -2.65 -0.69 0.00 0.00 174.62 173.16 2qf3 n PRO 44 N 4.81 2.49 -2.15 4.92 -0.02 -1.26 -4.92 135.00 138.87 2qf3 n PRO 44 Ca -0.18 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 2qf3 n PRO 44 Cb 0.51 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 2qf3 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qf3 s ALA 45 N -1.16 3.49 -0.08 3.55 0.00 -1.26 -4.99 121.76 121.32 2qf3 s ALA 45 Ca 0.57 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 2qf3 s ALA 45 Cb -0.46 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.29 2qf3 s ALA 45 CO 0.61 -0.59 0.79 0.45 0.00 0.00 0.00 175.76 177.02 2qf3 s SER 46 N -0.52 -0.55 -0.17 0.00 0.15 -1.26 -5.00 113.70 106.35 2qf3 s SER 46 Ca 0.48 0.56 0.16 0.00 0.70 0.00 0.00 55.95 57.86 2qf3 s SER 46 Cb -0.39 0.46 0.53 0.00 -1.71 0.00 0.00 66.02 64.91 2qf3 s SER 46 CO 0.52 -0.53 1.43 -1.22 1.20 0.00 0.00 173.24 174.63 2qf3 n TYR 47 N 0.77 0.96 0.15 3.44 4.02 -1.26 -4.69 117.16 120.55 2qf3 n TYR 47 Ca -0.16 -0.85 0.15 0.00 -0.01 0.00 0.00 57.90 57.04 2qf3 n TYR 47 Cb 0.58 -0.31 0.72 0.00 -0.02 0.00 0.00 39.34 40.31 2qf3 n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2qf3 h ASN 48 N 1.91 0.00 -0.18 7.72 -0.73 -1.95 -2.32 115.58 120.03 2qf3 h ASN 48 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2qf3 h ASN 48 Cb 1.43 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.01 2qf3 h ASN 48 CO 0.22 0.00 0.01 0.25 -0.37 0.00 0.00 177.43 177.54 2qf3 h LEU 49 N 0.00 0.30 -0.91 0.34 5.85 -1.90 -0.43 115.31 118.55 2qf3 h LEU 49 Ca 0.12 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2qf3 h LEU 49 Cb 0.51 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 2qf3 h LEU 49 CO -0.00 0.51 0.59 0.00 -0.34 0.00 0.00 178.44 179.20 2qf3 h ALA 50 N 0.79 1.21 0.10 1.25 0.00 -1.58 -1.19 119.26 119.84 2qf3 h ALA 50 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qf3 h ALA 50 Cb 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qf3 h ALA 50 CO 0.01 0.45 -0.05 0.28 0.00 0.00 0.00 179.25 179.94 2qf3 h VAL 51 N 1.14 0.94 -0.19 0.00 2.07 -1.07 -0.46 116.25 118.68 2qf3 h VAL 51 Ca 0.37 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 2qf3 h VAL 51 Cb 0.02 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2qf3 h VAL 51 CO -0.12 0.04 -0.02 0.03 0.02 0.00 0.00 177.57 177.51 2qf3 h ARG 52 N -0.20 0.27 0.00 1.57 3.08 -0.84 0.17 114.38 118.45 2qf3 h ARG 52 Ca -0.01 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.77 2qf3 h ARG 52 Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2qf3 h ARG 52 CO 0.02 0.32 -0.94 0.00 -1.07 0.00 0.00 179.97 178.30 2qf3 h ARG 53 N 0.27 0.39 0.00 0.04 3.08 -0.94 -3.42 114.38 113.81 2qf3 h ARG 53 Ca 0.06 -0.42 -0.19 0.00 0.07 0.00 0.00 59.98 59.50 2qf3 h ARG 53 Cb 0.22 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2qf3 h ARG 53 CO 0.01 1.10 -1.72 0.00 -1.07 0.00 0.00 179.97 178.28 2qf3 n ALA 54 N -2.53 1.73 -0.06 0.04 0.00 -0.21 -4.60 120.51 114.89 2qf3 n ALA 54 Ca -0.06 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 52.91 2qf3 n ALA 54 Cb 0.83 0.12 0.57 0.00 0.00 0.00 0.00 19.45 20.97 2qf3 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qf3 h ALA 55 N 0.25 2.19 -0.02 0.00 0.00 -0.84 -1.49 119.26 119.35 2qf3 h ALA 55 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qf3 h ALA 55 Cb 1.54 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2qf3 h ALA 55 CO -0.02 -0.33 0.02 -1.35 0.00 0.00 0.00 179.25 177.57 2qf3 h PRO 56 N 0.26 0.00 -0.16 0.00 0.11 -1.80 -1.71 132.00 128.70 2qf3 h PRO 56 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2qf3 h PRO 56 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qf3 h PRO 56 CO -0.06 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.73 2qf3 n ALA 57 N -2.31 2.51 -2.81 -0.75 0.00 -0.56 -4.52 120.51 112.06 2qf3 n ALA 57 Ca -0.03 -0.61 -0.36 0.00 0.00 0.00 0.00 53.44 52.44 2qf3 n ALA 57 Cb 0.10 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 2qf3 n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qf3 s VAL 58 N -1.80 4.87 0.29 0.00 1.01 -0.64 -0.78 120.40 123.34 2qf3 s VAL 58 Ca 0.34 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.41 2qf3 s VAL 58 Cb 0.19 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2qf3 s VAL 58 CO 0.29 0.36 0.19 0.68 0.00 0.00 0.00 175.10 176.62 2qf3 s VAL 59 N 1.17 3.83 -0.24 2.92 -7.23 0.71 -4.48 120.40 117.07 2qf3 s VAL 59 Ca 0.06 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 2qf3 s VAL 59 Cb -0.14 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2qf3 s VAL 59 CO 0.04 -0.28 0.42 0.20 -0.31 0.00 0.00 175.10 175.17 2qf3 s ASN 60 N -3.86 6.37 -0.13 4.85 0.01 -0.08 -1.37 114.94 120.73 2qf3 s ASN 60 Ca 0.36 0.44 -0.04 0.00 -0.71 0.00 0.00 52.86 52.91 2qf3 s ASN 60 Cb -0.06 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 2qf3 s ASN 60 CO 0.24 -0.16 0.02 -0.69 -1.51 0.00 0.00 177.10 175.00 2qf3 s VAL 61 N 1.80 4.43 -0.09 1.60 1.01 0.57 -0.65 120.40 129.07 2qf3 s VAL 61 Ca 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2qf3 s VAL 61 Cb -0.15 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2qf3 s VAL 61 CO 0.09 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.25 2qf3 s TYR 62 N -0.22 2.00 -0.42 5.22 1.51 0.25 -0.61 117.35 125.09 2qf3 s TYR 62 Ca 0.06 -0.86 -0.12 0.00 -1.01 0.00 0.00 57.07 55.14 2qf3 s TYR 62 Cb -0.12 -1.41 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 2qf3 s TYR 62 CO 0.02 -0.41 0.28 1.21 -1.11 0.00 0.00 175.55 175.54 2qf3 s ASN 63 N 0.71 5.87 -0.16 2.29 3.84 0.19 -1.63 114.94 126.05 2qf3 s ASN 63 Ca -0.12 -1.20 -0.10 0.00 0.21 0.00 0.00 52.86 51.64 2qf3 s ASN 63 Cb -0.16 -2.07 -0.05 0.00 -0.55 0.00 0.00 41.25 38.42 2qf3 s ASN 63 CO 0.03 -0.50 0.18 -0.13 -2.79 0.00 0.00 177.10 173.89 2qf3 s ARG 64 N 1.56 4.01 0.16 0.43 0.52 -0.59 0.15 118.95 125.18 2qf3 s ARG 64 Ca 0.03 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 2qf3 s ARG 64 Cb -0.21 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.85 2qf3 s ARG 64 CO 0.06 0.42 -0.04 0.20 0.02 0.00 0.00 175.30 175.96 2qf3 s GLY 65 N -0.03 1.14 0.20 -3.53 0.00 0.43 -0.62 107.32 104.91 2qf3 s GLY 65 Ca 0.12 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 2qf3 s GLY 65 CO 0.01 -1.55 1.07 1.08 0.00 0.00 0.00 173.10 173.71 2qf3 s LEU 66 N -3.17 4.52 -0.95 0.66 1.43 -1.26 -0.69 118.68 119.22 2qf3 s LEU 66 Ca 0.20 2.09 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 2qf3 s LEU 66 Cb 0.05 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.72 2qf3 s LEU 66 CO 0.02 -0.14 1.35 0.21 0.23 0.00 0.00 176.35 178.02 2qf3 s ASN 67 N -0.40 6.47 0.00 2.29 3.84 0.49 -4.82 114.94 122.80 2qf3 s ASN 67 Ca 0.47 -1.41 0.14 0.00 0.21 0.00 0.00 52.86 52.27 2qf3 s ASN 67 Cb -0.29 -2.53 0.84 0.00 -0.55 0.00 0.00 41.25 38.72 2qf3 s ASN 67 CO 0.35 -1.47 1.37 0.35 -2.79 0.00 0.00 177.10 174.91 2qf3 n THR 68 N 6.55 0.00 0.93 -5.21 -2.24 -1.26 -0.76 114.28 112.29 2qf3 n THR 68 Ca 0.26 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.14 2qf3 n THR 68 Cb 0.50 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 2qf3 n THR 68 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qf3 n ASN 69 N -0.79 0.98 0.00 3.42 3.02 -1.26 -4.85 115.26 115.77 2qf3 n ASN 69 Ca 0.11 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 2qf3 n ASN 69 Cb 0.05 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.20 2qf3 n ASN 69 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2qf3 n SER 70 N -1.41 0.00 -1.00 6.41 2.88 -0.90 -5.01 113.62 114.59 2qf3 n SER 70 Ca 0.04 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.63 2qf3 n SER 70 Cb 0.31 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.86 2qf3 n SER 70 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2qf3 n HIS 71 N 0.00 0.00 -2.08 0.66 8.25 -1.19 -4.98 115.22 115.88 2qf3 n HIS 71 Ca 0.00 -0.81 -0.20 0.00 -0.26 0.00 0.00 57.72 56.45 2qf3 n HIS 71 Cb 0.00 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 2qf3 n HIS 71 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qf3 n ASN 72 N -0.22 -5.61 -4.77 0.41 3.02 0.06 -4.95 115.26 103.21 2qf3 n ASN 72 Ca 0.10 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.44 2qf3 n ASN 72 Cb 0.92 -4.72 -0.04 0.00 -0.61 0.00 0.00 39.78 35.32 2qf3 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qf3 s GLN 73 N -4.51 4.43 0.24 3.52 0.00 -1.26 -4.23 119.66 117.85 2qf3 s GLN 73 Ca 0.00 1.62 -0.30 0.00 -0.00 0.00 0.00 55.36 56.68 2qf3 s GLN 73 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 33.01 30.03 2qf3 s GLN 73 CO 0.00 0.07 1.51 -0.51 0.00 0.00 0.00 175.29 176.36 2qf3 s LEU 74 N -2.02 4.37 0.06 2.60 1.43 -1.26 -0.38 118.68 123.48 2qf3 s LEU 74 Ca 0.51 2.73 -0.17 0.00 -1.03 0.00 0.00 54.13 56.17 2qf3 s LEU 74 Cb -0.26 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.37 2qf3 s LEU 74 CO 0.33 -0.78 0.39 -1.83 0.23 0.00 0.00 176.35 174.69 2qf3 s GLU 75 N -0.08 0.93 -0.09 1.70 -1.05 0.13 -4.90 118.70 115.33 2qf3 s GLU 75 Ca 0.63 -0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 54.70 2qf3 s GLU 75 Cb -0.44 0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 33.61 2qf3 s GLU 75 CO 0.42 -0.32 1.68 0.42 0.95 0.00 0.00 175.26 178.41 2qf3 s ILE 76 N -2.74 3.56 -0.14 1.83 1.01 -1.26 -0.43 121.20 123.03 2qf3 s ILE 76 Ca -0.04 0.66 0.08 0.00 0.00 0.00 0.00 60.65 61.35 2qf3 s ILE 76 Cb -0.00 -3.47 -0.23 0.00 0.01 0.00 0.00 42.46 38.76 2qf3 s ILE 76 CO -0.04 -0.11 0.27 -1.14 0.00 0.00 0.00 174.94 173.92 2qf3 n ARG 77 N 7.33 0.68 -3.73 2.79 0.63 0.12 -4.88 116.66 119.60 2qf3 n ARG 77 Ca 0.18 0.18 -0.07 0.00 -0.92 0.00 0.00 57.85 57.23 2qf3 n ARG 77 Cb 0.43 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.67 2qf3 n ARG 77 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2qf3 s THR 78 N -2.55 0.00 0.12 5.15 -1.32 -0.94 -5.02 115.64 111.09 2qf3 s THR 78 Ca -0.16 -0.65 -0.12 0.00 -1.21 0.00 0.00 61.69 59.55 2qf3 s THR 78 Cb 0.07 -1.77 0.01 0.00 -1.51 0.00 0.00 72.50 69.31 2qf3 s THR 78 CO 0.77 0.00 0.31 -1.48 -2.21 0.00 0.00 174.62 172.01 2qf3 s LEU 79 N -2.86 0.85 0.00 9.08 0.05 -1.26 -0.63 118.68 123.90 2qf3 s LEU 79 Ca 0.10 -0.53 0.00 0.00 0.05 0.00 0.00 54.13 53.75 2qf3 s LEU 79 Cb -0.03 1.47 0.00 0.00 -2.05 0.00 0.00 46.19 45.57 2qf3 s LEU 79 CO 0.01 -0.82 0.00 0.61 -0.55 0.00 0.00 176.35 175.60 2qf3 n GLY 80 N -0.17 2.67 3.39 -3.48 0.00 0.22 -4.16 105.19 103.66 2qf3 n GLY 80 Ca -0.14 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 2qf3 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qf3 s SER 81 N 2.00 1.92 0.17 1.61 0.01 0.67 -0.31 113.70 119.76 2qf3 s SER 81 Ca 0.00 -1.55 -0.15 0.00 1.31 0.00 0.00 55.95 55.57 2qf3 s SER 81 Cb 0.00 0.33 0.02 0.00 0.21 0.00 0.00 66.02 66.58 2qf3 s SER 81 CO 0.00 -0.85 0.43 -0.83 0.41 0.00 0.00 173.24 172.40 2qf3 s GLY 82 N -3.44 0.02 -0.13 3.44 0.00 -0.47 -3.72 107.32 103.03 2qf3 s GLY 82 Ca 0.33 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.70 2qf3 s GLY 82 CO 0.16 -0.44 -0.15 0.14 0.00 0.00 0.00 173.10 172.81 2qf3 s VAL 83 N -3.88 1.58 -0.33 1.40 1.01 -0.14 -0.21 120.40 119.83 2qf3 s VAL 83 Ca 0.10 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2qf3 s VAL 83 Cb 0.01 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2qf3 s VAL 83 CO -0.04 0.46 1.18 -0.63 0.00 0.00 0.00 175.10 176.06 2qf3 s ILE 84 N 1.15 4.32 -0.00 2.22 1.01 0.04 -1.25 121.20 128.68 2qf3 s ILE 84 Ca -0.02 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.17 2qf3 s ILE 84 Cb -0.14 -4.33 -0.24 0.00 0.01 0.00 0.00 42.46 37.76 2qf3 s ILE 84 CO -0.05 -0.54 0.81 0.24 0.00 0.00 0.00 174.94 175.40 2qf3 h MET 85 N 8.73 0.09 -3.40 2.79 2.86 -1.43 -1.72 114.93 122.85 2qf3 h MET 85 Ca -0.23 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2qf3 h MET 85 Cb 1.08 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.71 2qf3 h MET 85 CO 1.04 0.82 0.01 0.16 1.06 0.00 0.00 176.91 180.01 2qf3 s ASP 86 N -6.53 -0.16 0.64 1.22 1.47 -1.24 -4.62 116.67 107.45 2qf3 s ASP 86 Ca -0.06 -0.78 0.37 0.00 1.18 0.00 0.00 52.55 53.25 2qf3 s ASP 86 Cb 0.08 0.64 2.08 0.00 -0.34 0.00 0.00 42.92 45.38 2qf3 s ASP 86 CO 0.83 -1.21 2.26 1.56 0.68 0.00 0.00 175.17 179.29 2qf3 h GLN 87 N 2.16 0.00 0.00 2.11 1.08 -1.93 -1.11 115.11 117.42 2qf3 h GLN 87 Ca -0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2qf3 h GLN 87 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2qf3 h GLN 87 CO 0.31 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.73 2qf3 n ARG 88 N -3.37 0.10 -0.35 1.46 1.74 -1.26 -4.77 116.66 110.20 2qf3 n ARG 88 Ca -0.02 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2qf3 n ARG 88 Cb 0.14 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 2qf3 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qf3 n GLY 89 N 0.08 0.78 3.73 -0.13 0.00 -0.42 -4.74 105.19 104.50 2qf3 n GLY 89 Ca 0.03 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2qf3 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qf3 s TYR 90 N -2.00 3.83 -0.03 1.61 1.51 -1.25 -1.95 117.35 119.07 2qf3 s TYR 90 Ca 0.00 1.81 0.04 0.00 -1.01 0.00 0.00 57.07 57.91 2qf3 s TYR 90 Cb 0.00 -3.04 -0.00 0.00 -0.11 0.00 0.00 41.96 38.80 2qf3 s TYR 90 CO 0.00 0.24 -0.15 0.42 -1.11 0.00 0.00 175.55 174.95 2qf3 s ILE 91 N -0.14 1.23 -0.11 2.71 1.01 0.73 -1.06 121.20 125.57 2qf3 s ILE 91 Ca 0.46 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 2qf3 s ILE 91 Cb -0.24 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2qf3 s ILE 91 CO 0.30 0.36 0.20 -0.63 0.00 0.00 0.00 174.94 175.16 2qf3 s ILE 92 N -0.01 5.40 0.00 2.92 1.01 -0.38 -0.06 121.20 130.08 2qf3 s ILE 92 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2qf3 s ILE 92 Cb -0.10 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2qf3 s ILE 92 CO 0.01 0.58 0.00 1.07 0.00 0.00 0.00 174.94 176.60 2qf3 n THR 93 N 2.21 0.00 -4.04 2.92 5.66 -0.36 -0.96 114.28 119.72 2qf3 n THR 93 Ca -0.18 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.47 2qf3 n THR 93 Cb 0.54 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.25 2qf3 n THR 93 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2qf3 s ASN 94 N -0.88 5.97 0.20 1.09 0.02 -1.26 -1.38 114.94 118.69 2qf3 s ASN 94 Ca 0.00 0.29 -0.10 0.00 -1.02 0.00 0.00 52.86 52.02 2qf3 s ASN 94 Cb 0.00 -1.82 0.18 0.00 0.02 0.00 0.00 41.25 39.64 2qf3 s ASN 94 CO 0.00 0.33 1.84 0.50 0.02 0.00 0.00 177.10 179.79 2qf3 h LYS 95 N 4.47 0.78 0.00 -0.60 3.64 -1.30 -2.03 116.57 121.53 2qf3 h LYS 95 Ca -0.51 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2qf3 h LYS 95 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2qf3 h LYS 95 CO 0.61 0.51 0.00 1.12 -2.27 0.00 0.00 179.45 179.43 2qf3 h HIS 96 N 0.80 0.00 0.00 1.91 2.07 -1.94 -0.64 115.15 117.35 2qf3 h HIS 96 Ca 0.27 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.56 2qf3 h HIS 96 Cb 0.04 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.03 2qf3 h HIS 96 CO -0.05 0.00 -0.97 0.28 -3.07 0.00 0.00 177.93 174.12 2qf3 h VAL 97 N 0.00 1.38 -0.14 6.12 2.07 -1.75 -3.33 116.25 120.61 2qf3 h VAL 97 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 2qf3 h VAL 97 Cb 0.20 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2qf3 h VAL 97 CO 0.00 0.73 0.00 2.30 0.02 0.00 0.00 177.57 180.62 2qf3 n ILE 98 N -3.76 0.17 -1.67 4.57 -6.64 -0.74 -4.57 119.36 106.72 2qf3 n ILE 98 Ca -0.08 -0.59 -0.45 0.00 -1.77 0.00 0.00 62.75 59.86 2qf3 n ILE 98 Cb 0.85 1.27 -0.03 0.00 -1.44 0.00 0.00 39.64 40.29 2qf3 n ILE 98 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qf3 n ASN 99 N 1.22 2.90 -1.00 7.28 3.02 -0.33 -2.35 115.26 126.00 2qf3 n ASN 99 Ca 0.14 1.12 -0.13 0.00 -0.03 0.00 0.00 54.58 55.67 2qf3 n ASN 99 Cb 0.53 -1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.22 2qf3 n ASN 99 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qf3 n ASP 100 N 2.69 -5.13 -4.77 6.41 10.43 -1.26 -4.96 116.55 119.96 2qf3 n ASP 100 Ca 0.14 0.32 -0.39 0.00 2.57 0.00 0.00 54.79 57.43 2qf3 n ASP 100 Cb 0.30 -3.78 -0.01 0.00 1.84 0.00 0.00 41.12 39.47 2qf3 n ASP 100 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qf3 s ALA 101 N -2.30 3.22 -0.12 2.24 0.00 -0.99 -4.89 121.76 118.92 2qf3 s ALA 101 Ca 0.00 1.14 0.21 0.00 0.00 0.00 0.00 51.96 53.31 2qf3 s ALA 101 Cb 0.00 -3.45 -0.21 0.00 0.00 0.00 0.00 23.12 19.46 2qf3 s ALA 101 CO 0.00 -0.72 0.62 -0.25 0.00 0.00 0.00 175.76 175.41 2qf3 n ASP 102 N 0.11 0.34 -3.69 0.00 8.00 0.21 -4.89 116.55 116.64 2qf3 n ASP 102 Ca 0.04 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 2qf3 n ASP 102 Cb 0.45 1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 42.67 2qf3 n ASP 102 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2qf3 s GLN 103 N -3.27 0.49 -0.22 -1.24 0.74 -0.88 -5.03 119.66 110.25 2qf3 s GLN 103 Ca -0.06 0.86 -0.04 0.00 0.05 0.00 0.00 55.36 56.17 2qf3 s GLN 103 Cb 0.11 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.29 2qf3 s GLN 103 CO 0.86 -0.14 -0.04 0.42 -0.55 0.00 0.00 175.29 175.83 2qf3 s ILE 104 N 1.22 3.33 -0.09 -2.34 1.01 -1.26 -1.54 121.20 121.52 2qf3 s ILE 104 Ca -0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 2qf3 s ILE 104 Cb -0.07 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2qf3 s ILE 104 CO -0.12 0.41 -0.03 -0.63 0.00 0.00 0.00 174.94 174.57 2qf3 s ILE 105 N 1.47 4.01 -0.12 2.92 1.01 -0.64 0.24 121.20 130.07 2qf3 s ILE 105 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2qf3 s ILE 105 Cb -0.14 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.66 2qf3 s ILE 105 CO -0.03 0.58 -0.19 -0.69 0.00 0.00 0.00 174.94 174.61 2qf3 s VAL 106 N -0.59 1.79 -0.11 2.92 1.01 0.19 -0.58 120.40 125.03 2qf3 s VAL 106 Ca 0.09 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2qf3 s VAL 106 Cb -0.12 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2qf3 s VAL 106 CO 0.02 0.50 -0.21 0.00 0.00 0.00 0.00 175.10 175.41 2qf3 s ALA 107 N 0.89 2.29 0.24 5.51 0.00 0.17 -0.40 121.76 130.48 2qf3 s ALA 107 Ca -0.07 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2qf3 s ALA 107 Cb -0.15 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 2qf3 s ALA 107 CO -0.02 0.28 0.51 -0.51 0.00 0.00 0.00 175.76 176.03 2qf3 s LEU 108 N 0.32 4.13 0.63 0.00 1.02 0.12 -0.90 118.68 124.00 2qf3 s LEU 108 Ca -0.16 0.72 0.41 0.00 0.02 0.00 0.00 54.13 55.11 2qf3 s LEU 108 Cb -0.17 -3.50 2.15 0.00 0.02 0.00 0.00 46.19 44.68 2qf3 s LEU 108 CO 0.08 -0.12 2.28 1.56 0.02 0.00 0.00 176.35 180.18 2qf3 h GLN 109 N 2.09 0.00 -0.20 1.70 1.08 -1.79 -1.75 115.11 116.24 2qf3 h GLN 109 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2qf3 h GLN 109 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2qf3 h GLN 109 CO 0.68 0.01 0.00 -0.40 -0.95 0.00 0.00 178.83 178.17 2qf3 n ASP 110 N -3.18 1.11 0.00 1.46 5.68 -1.26 -4.92 116.55 115.43 2qf3 n ASP 110 Ca -0.02 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 2qf3 n ASP 110 Cb 0.12 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2qf3 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qf3 n GLY 111 N 0.85 2.91 3.77 6.12 0.00 -0.66 -5.06 105.19 113.11 2qf3 n GLY 111 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2qf3 n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf3 s ARG 112 N -0.22 4.42 -0.04 1.61 0.52 -1.26 -4.82 118.95 119.15 2qf3 s ARG 112 Ca 0.00 2.07 0.05 0.00 -0.52 0.00 0.00 55.73 57.33 2qf3 s ARG 112 Cb 0.00 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 2qf3 s ARG 112 CO 0.00 -0.08 -0.19 0.08 0.02 0.00 0.00 175.30 175.13 2qf3 s VAL 113 N -1.16 1.57 0.12 3.52 1.01 -1.26 -0.71 120.40 123.49 2qf3 s VAL 113 Ca 0.48 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2qf3 s VAL 113 Cb -0.37 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2qf3 s VAL 113 CO 0.49 0.45 -0.10 -0.36 0.00 0.00 0.00 175.10 175.57 2qf3 s PHE 114 N -0.05 1.18 -0.12 5.22 0.40 0.47 -4.99 117.98 120.10 2qf3 s PHE 114 Ca -0.03 -0.69 -0.10 0.00 -0.60 0.00 0.00 56.93 55.50 2qf3 s PHE 114 Cb -0.12 -0.62 -0.05 0.00 0.51 0.00 0.00 43.02 42.74 2qf3 s PHE 114 CO 0.02 0.05 0.22 -2.00 0.70 0.00 0.00 175.22 174.21 2qf3 s GLU 115 N -3.21 3.82 0.24 0.44 2.12 -1.26 -0.63 118.70 120.22 2qf3 s GLU 115 Ca 0.11 0.01 0.09 0.00 0.36 0.00 0.00 54.97 55.53 2qf3 s GLU 115 Cb -0.01 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 2qf3 s GLU 115 CO 0.00 0.58 0.03 0.00 -0.54 0.00 0.00 175.26 175.33 2qf3 s ALA 116 N -0.52 3.24 -0.11 6.30 0.00 0.14 -4.73 121.76 126.09 2qf3 s ALA 116 Ca 0.16 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 2qf3 s ALA 116 Cb -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2qf3 s ALA 116 CO 0.05 0.31 -0.06 -1.17 0.00 0.00 0.00 175.76 174.89 2qf3 s LEU 117 N -3.55 3.16 -0.07 0.00 2.96 -0.31 -4.37 118.68 116.51 2qf3 s LEU 117 Ca 0.31 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 2qf3 s LEU 117 Cb -0.07 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2qf3 s LEU 117 CO 0.20 0.27 1.15 -0.22 -1.32 0.00 0.00 176.35 176.44 2qf3 s LEU 118 N -0.26 4.26 -0.12 -0.68 2.96 -1.26 -0.63 118.68 122.95 2qf3 s LEU 118 Ca 0.04 1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 55.66 2qf3 s LEU 118 Cb -0.13 -3.56 -0.25 0.00 0.50 0.00 0.00 46.19 42.76 2qf3 s LEU 118 CO 0.02 -0.56 0.36 0.52 -1.32 0.00 0.00 176.35 175.37 2qf3 n VAL 119 N 4.64 1.72 0.00 1.68 0.31 0.17 -4.95 118.33 121.91 2qf3 n VAL 119 Ca 0.11 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2qf3 n VAL 119 Cb 0.47 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2qf3 n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qf3 n GLY 120 N 1.94 0.74 3.40 2.92 0.00 -1.22 -4.92 105.19 108.05 2qf3 n GLY 120 Ca -0.31 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 2qf3 n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qf3 s SER 121 N 0.00 0.03 -0.17 1.61 1.04 -1.26 -0.99 113.70 113.96 2qf3 s SER 121 Ca 0.00 -1.11 -0.03 0.00 0.48 0.00 0.00 55.95 55.29 2qf3 s SER 121 Cb 0.00 0.48 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2qf3 s SER 121 CO 0.00 -0.99 0.05 -0.62 0.98 0.00 0.00 173.24 172.66 2qf3 s ASP 122 N -3.07 2.56 0.33 7.02 2.15 -0.14 -4.98 116.67 120.54 2qf3 s ASP 122 Ca 0.28 -0.66 0.08 0.00 0.43 0.00 0.00 52.55 52.68 2qf3 s ASP 122 Cb 0.03 -0.45 0.58 0.00 -0.30 0.00 0.00 42.92 42.78 2qf3 s ASP 122 CO 0.09 -0.31 1.78 0.77 -0.17 0.00 0.00 175.17 177.33 2qf3 h SER 123 N 8.32 0.23 -0.87 -0.34 4.64 -1.96 0.73 113.55 124.30 2qf3 h SER 123 Ca -0.16 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2qf3 h SER 123 Cb 1.13 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 2qf3 h SER 123 CO 0.31 0.54 0.56 0.25 -0.87 0.00 0.00 176.83 177.61 2qf3 h LEU 124 N 0.20 0.93 -0.89 5.97 5.85 -1.96 -2.75 115.31 122.65 2qf3 h LEU 124 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2qf3 h LEU 124 Cb 0.65 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2qf3 h LEU 124 CO 0.05 0.64 -0.45 0.35 -0.34 0.00 0.00 178.44 178.68 2qf3 n THR 125 N -4.54 0.00 -2.98 1.05 -2.24 -1.16 -4.98 114.28 99.42 2qf3 n THR 125 Ca 0.11 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 2qf3 n THR 125 Cb 0.09 1.22 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2qf3 n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qf3 n ASP 126 N -0.16 -6.13 -4.81 3.42 2.03 0.21 -4.97 116.55 106.14 2qf3 n ASP 126 Ca 0.08 -0.27 -0.27 0.00 0.52 0.00 0.00 54.79 54.85 2qf3 n ASP 126 Cb 0.41 -4.95 -0.05 0.00 -0.72 0.00 0.00 41.12 35.80 2qf3 n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qf3 s LEU 127 N -6.61 3.87 0.03 -2.67 1.43 -0.96 -1.18 118.68 112.59 2qf3 s LEU 127 Ca 0.29 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2qf3 s LEU 127 Cb -0.13 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2qf3 s LEU 127 CO 0.35 0.09 0.08 0.00 0.23 0.00 0.00 176.35 177.10 2qf3 s ALA 128 N -1.68 -0.08 -0.05 4.21 0.00 -0.48 -0.96 121.76 122.72 2qf3 s ALA 128 Ca 0.31 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2qf3 s ALA 128 Cb -0.11 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2qf3 s ALA 128 CO 0.24 -0.27 -0.25 0.08 0.00 0.00 0.00 175.76 175.56 2qf3 s VAL 129 N -2.21 2.00 0.30 0.00 1.01 -0.16 -1.22 120.40 120.12 2qf3 s VAL 129 Ca -0.08 -1.05 0.10 0.00 0.00 0.00 0.00 61.98 60.94 2qf3 s VAL 129 Cb -0.04 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 2qf3 s VAL 129 CO -0.03 0.56 -0.13 -0.76 0.00 0.00 0.00 175.10 174.75 2qf3 s LEU 130 N -0.25 2.62 -0.04 3.92 1.43 0.92 -0.66 118.68 126.63 2qf3 s LEU 130 Ca -0.01 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2qf3 s LEU 130 Cb -0.13 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.19 2qf3 s LEU 130 CO 0.03 -0.15 -0.03 -0.75 0.23 0.00 0.00 176.35 175.68 2qf3 s LYS 131 N -3.60 0.63 0.17 1.70 2.47 0.20 -0.19 119.74 121.12 2qf3 s LYS 131 Ca 0.30 -0.05 0.11 0.00 -1.56 0.00 0.00 55.97 54.77 2qf3 s LYS 131 Cb 0.00 -0.69 -0.04 0.00 -1.46 0.00 0.00 37.83 35.64 2qf3 s LYS 131 CO 0.14 -0.09 -0.23 0.96 0.16 0.00 0.00 175.35 176.29 2qf3 s ILE 132 N 0.89 2.42 -0.53 5.43 -4.36 -0.82 -1.16 121.20 123.08 2qf3 s ILE 132 Ca -0.11 -1.91 -0.06 0.00 -0.26 0.00 0.00 60.65 58.31 2qf3 s ILE 132 Cb -0.14 -2.14 0.14 0.00 1.25 0.00 0.00 42.46 41.57 2qf3 s ILE 132 CO -0.00 -0.05 0.37 0.20 0.24 0.00 0.00 174.94 175.69 2qf3 s ASN 133 N -2.50 5.53 0.33 4.36 -0.87 -1.26 -4.53 114.94 115.99 2qf3 s ASN 133 Ca 0.19 -2.29 0.08 0.00 -1.57 0.00 0.00 52.86 49.27 2qf3 s ASN 133 Cb -0.09 -1.93 -0.03 0.00 -0.02 0.00 0.00 41.25 39.18 2qf3 s ASN 133 CO 0.09 -0.55 0.24 0.00 -2.57 0.00 0.00 177.10 174.32 2qf3 s ALA 134 N 0.77 3.72 0.02 0.60 0.00 -1.26 -5.08 121.76 120.53 2qf3 s ALA 134 Ca 0.11 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.39 2qf3 s ALA 134 Cb -0.22 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 2qf3 s ALA 134 CO -0.03 0.03 -0.05 0.99 0.00 0.00 0.00 175.76 176.70 2qf3 s THR 135 N -2.33 0.34 0.00 0.00 2.01 -1.26 -4.81 115.64 109.59 2qf3 s THR 135 Ca 0.40 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2qf3 s THR 135 Cb -0.05 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.07 2qf3 s THR 135 CO 0.25 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2qf3 n GLY 136 N 2.05 0.42 0.00 4.40 0.00 -1.26 -4.94 105.19 105.86 2qf3 n GLY 136 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2qf3 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qf3 n GLY 137 N -2.00 1.62 3.30 -0.02 0.00 -1.26 -5.08 105.19 101.74 2qf3 n GLY 137 Ca 0.00 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 2qf3 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf3 s LEU 138 N -0.29 2.16 0.34 0.99 1.43 -1.26 -5.09 118.68 116.96 2qf3 s LEU 138 Ca 0.00 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.29 2qf3 s LEU 138 Cb 0.00 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.00 2qf3 s LEU 138 CO 0.00 0.21 1.05 -2.16 0.23 0.00 0.00 176.35 175.69 2qf3 s PRO 139 N -1.18 4.40 0.20 1.29 0.04 -1.26 -4.86 135.00 133.63 2qf3 s PRO 139 Ca 0.10 1.60 0.09 0.00 0.04 0.00 0.00 61.00 62.83 2qf3 s PRO 139 Cb -0.09 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 2qf3 s PRO 139 CO 0.02 0.05 -0.17 0.95 0.04 0.00 0.00 177.00 177.89 2qf3 s THR 140 N -1.45 1.92 0.12 1.26 -4.23 -1.26 -4.63 115.64 107.37 2qf3 s THR 140 Ca 0.51 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.60 2qf3 s THR 140 Cb -0.26 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 71.51 2qf3 s THR 140 CO 0.32 -0.44 0.99 -0.51 -0.54 0.00 0.00 174.62 174.45 2qf3 s ILE 141 N -2.50 4.39 0.15 2.99 1.10 -0.65 -4.71 121.20 121.97 2qf3 s ILE 141 Ca 0.21 1.98 -0.31 0.00 -0.51 0.00 0.00 60.65 62.02 2qf3 s ILE 141 Cb -0.04 -4.26 -0.09 0.00 0.15 0.00 0.00 42.46 38.22 2qf3 s ILE 141 CO 0.08 0.30 1.44 -2.84 -2.11 0.00 0.00 174.94 171.81 2qf3 s PRO 142 N -0.01 4.29 -0.08 3.50 0.02 -1.26 -4.93 135.00 136.53 2qf3 s PRO 142 Ca 0.48 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.69 2qf3 s PRO 142 Cb -0.24 -3.20 0.02 0.00 0.02 0.00 0.00 34.50 31.09 2qf3 s PRO 142 CO 0.31 -0.47 -0.11 0.42 -0.33 0.00 0.00 177.00 176.82 2qf3 s ILE 143 N 0.93 1.14 -0.40 2.83 1.01 -1.26 -0.90 121.20 124.55 2qf3 s ILE 143 Ca 0.65 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2qf3 s ILE 143 Cb -0.39 -1.07 0.11 0.00 0.01 0.00 0.00 42.46 41.12 2qf3 s ILE 143 CO 0.32 0.37 0.16 0.21 0.00 0.00 0.00 174.94 176.00 2qf3 s ASN 144 N 1.00 5.03 0.15 3.58 3.84 -1.26 -4.96 114.94 122.31 2qf3 s ASN 144 Ca -0.08 -2.17 0.11 0.00 0.21 0.00 0.00 52.86 50.94 2qf3 s ASN 144 Cb -0.15 -1.75 0.59 0.00 -0.55 0.00 0.00 41.25 39.39 2qf3 s ASN 144 CO -0.00 -0.46 1.35 0.00 -2.79 0.00 0.00 177.10 175.20 2qf3 n ALA 145 N 4.34 1.12 0.70 1.71 0.00 -1.26 -1.78 120.51 125.34 2qf3 n ALA 145 Ca 0.01 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2qf3 n ALA 145 Cb 0.41 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.76 2qf3 n ALA 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qf3 n ARG 146 N -1.85 1.34 -2.63 0.00 1.74 -1.26 -4.96 116.66 109.04 2qf3 n ARG 146 Ca -0.00 -1.50 -0.41 0.00 -0.77 0.00 0.00 57.85 55.16 2qf3 n ARG 146 Cb 0.04 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 2qf3 n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2qf3 s ARG 147 N -1.41 4.61 -0.24 5.56 6.06 -0.74 -5.02 118.95 127.77 2qf3 s ARG 147 Ca 0.20 1.55 -0.07 0.00 -2.50 0.00 0.00 55.73 54.91 2qf3 s ARG 147 Cb 0.14 -3.36 -0.03 0.00 0.06 0.00 0.00 34.95 31.76 2qf3 s ARG 147 CO 0.21 0.07 0.08 0.08 -2.50 0.00 0.00 175.30 173.23 2qf3 s VAL 148 N 0.27 4.40 0.18 7.11 1.01 -1.26 -5.02 120.40 127.08 2qf3 s VAL 148 Ca 0.50 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 2qf3 s VAL 148 Cb -0.25 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 2qf3 s VAL 148 CO 0.31 0.34 1.52 -2.84 0.00 0.00 0.00 175.10 174.43 2qf3 s PRO 149 N 1.51 4.24 0.04 2.72 0.02 -1.26 -5.01 135.00 137.26 2qf3 s PRO 149 Ca 0.06 2.32 0.08 0.00 0.02 0.00 0.00 61.00 63.48 2qf3 s PRO 149 Cb -0.15 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 2qf3 s PRO 149 CO 0.04 -0.55 -0.22 -1.01 -0.33 0.00 0.00 177.00 174.92 2qf3 s HIS 150 N 0.91 2.44 0.22 6.54 3.76 -1.26 -5.08 115.29 122.81 2qf3 s HIS 150 Ca 0.67 -0.34 -0.32 0.00 -0.15 0.00 0.00 55.06 54.93 2qf3 s HIS 150 Cb -0.43 -1.42 -0.13 0.00 1.11 0.00 0.00 32.58 31.72 2qf3 s HIS 150 CO 0.33 0.19 1.63 -0.89 -0.85 0.00 0.00 174.74 175.15 2qf3 n ILE 151 N 1.65 0.31 0.00 0.60 5.41 -1.26 -1.16 119.36 124.91 2qf3 n ILE 151 Ca -0.17 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.51 2qf3 n ILE 151 Cb 0.52 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 2qf3 n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qf3 n GLY 152 N 3.26 1.62 3.77 7.39 0.00 0.66 -4.96 105.19 116.93 2qf3 n GLY 152 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2qf3 n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qf3 s ASP 153 N -1.66 6.65 0.16 1.61 1.01 -0.31 -4.67 116.67 119.46 2qf3 s ASP 153 Ca 0.00 2.77 -0.30 0.00 0.71 0.00 0.00 52.55 55.72 2qf3 s ASP 153 Cb 0.00 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 2qf3 s ASP 153 CO 0.00 -0.63 1.28 -0.69 0.21 0.00 0.00 175.17 175.33 2qf3 s VAL 154 N -1.14 3.44 0.09 -1.27 1.01 -1.26 -1.21 120.40 120.06 2qf3 s VAL 154 Ca 0.50 1.14 0.04 0.00 0.00 0.00 0.00 61.98 63.67 2qf3 s VAL 154 Cb -0.41 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2qf3 s VAL 154 CO 0.55 0.15 -0.11 0.68 0.00 0.00 0.00 175.10 176.37 2qf3 s VAL 155 N 0.36 0.97 -0.11 2.92 -7.23 -0.24 -3.50 120.40 113.58 2qf3 s VAL 155 Ca 0.57 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 2qf3 s VAL 155 Cb -0.34 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2qf3 s VAL 155 CO 0.35 -0.49 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.66 2qf3 s LEU 156 N -2.30 2.11 -0.11 1.32 1.43 0.46 -1.40 118.68 120.20 2qf3 s LEU 156 Ca 0.04 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 2qf3 s LEU 156 Cb -0.04 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 2qf3 s LEU 156 CO 0.01 0.14 0.29 0.00 0.23 0.00 0.00 176.35 177.02 2qf3 s ALA 157 N 0.47 3.68 -0.13 4.21 0.00 0.30 -1.25 121.76 129.05 2qf3 s ALA 157 Ca -0.15 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2qf3 s ALA 157 Cb -0.17 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.66 2qf3 s ALA 157 CO 0.06 0.31 -0.16 0.42 0.00 0.00 0.00 175.76 176.39 2qf3 s ILE 158 N -0.29 1.63 0.00 0.00 1.01 0.45 -1.63 121.20 122.37 2qf3 s ILE 158 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2qf3 s ILE 158 Cb -0.14 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2qf3 s ILE 158 CO 0.07 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2qf3 n GLY 159 N 4.43 1.44 2.73 6.18 0.00 -0.95 -2.39 105.19 116.63 2qf3 n GLY 159 Ca -0.18 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 2qf3 n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qf3 n ASN 160 N -0.33 3.96 -4.70 1.61 5.15 -1.10 0.37 115.26 120.21 2qf3 n ASN 160 Ca 0.00 -3.55 -0.44 0.00 -0.60 0.00 0.00 54.58 49.99 2qf3 n ASN 160 Cb 0.00 -0.60 -0.03 0.00 -0.53 0.00 0.00 39.78 38.63 2qf3 n ASN 160 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2qf3 n PRO 161 N 0.13 2.41 -1.71 1.20 -0.04 -1.26 -1.95 135.00 133.79 2qf3 n PRO 161 Ca 0.30 0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 64.49 2qf3 n PRO 161 Cb 0.42 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 2qf3 n PRO 161 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qf3 n TYR 162 N 2.73 -0.69 -2.86 0.54 4.02 0.17 -1.38 117.16 119.69 2qf3 n TYR 162 Ca 0.13 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.81 2qf3 n TYR 162 Cb 0.33 -2.65 0.01 0.00 -0.02 0.00 0.00 39.34 37.02 2qf3 n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qf3 n ASN 163 N -0.90 -5.32 -0.03 7.72 5.15 -0.82 -4.86 115.26 116.20 2qf3 n ASN 163 Ca -0.14 -0.17 0.14 0.00 -0.60 0.00 0.00 54.58 53.81 2qf3 n ASN 163 Cb 0.49 -4.37 0.63 0.00 -0.53 0.00 0.00 39.78 36.00 2qf3 n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qf3 n LEU 164 N -3.57 0.15 0.00 1.20 4.77 -0.48 -5.02 117.00 114.04 2qf3 n LEU 164 Ca -0.13 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2qf3 n LEU 164 Cb 0.62 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2qf3 n LEU 164 CO 0.39 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2qf3 n GLY 165 N 1.37 2.73 3.58 -0.72 0.00 -1.26 -5.01 105.19 105.89 2qf3 n GLY 165 Ca 0.11 -1.85 -0.52 0.00 0.00 0.00 0.00 46.02 43.77 2qf3 n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qf3 n GLN 166 N 0.59 1.08 -4.62 1.61 7.27 -1.26 -4.56 117.38 117.49 2qf3 n GLN 166 Ca 0.00 0.39 -0.23 0.00 0.07 0.00 0.00 57.00 57.23 2qf3 n GLN 166 Cb 0.00 -1.98 -0.16 0.00 2.41 0.00 0.00 30.24 30.51 2qf3 n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2qf3 s THR 167 N 0.29 1.11 -0.16 1.69 2.01 0.16 -4.97 115.64 115.77 2qf3 s THR 167 Ca 0.82 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 62.24 2qf3 s THR 167 Cb -0.95 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2qf3 s THR 167 CO 0.49 0.33 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.08 2qf3 s ILE 168 N 0.07 3.85 0.11 1.82 -1.09 -1.26 -2.25 121.20 122.46 2qf3 s ILE 168 Ca -0.02 -0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.10 2qf3 s ILE 168 Cb -0.10 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 2qf3 s ILE 168 CO 0.01 0.49 -0.19 0.42 -1.23 0.00 0.00 174.94 174.44 2qf3 s THR 169 N 0.43 1.64 -0.03 2.92 -4.23 -0.65 -4.96 115.64 110.77 2qf3 s THR 169 Ca -0.04 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2qf3 s THR 169 Cb -0.14 -1.56 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 2qf3 s THR 169 CO 0.03 -0.15 -0.25 -1.58 -0.54 0.00 0.00 174.62 172.13 2qf3 s GLN 170 N -2.11 2.16 0.00 3.99 -0.44 -1.26 -0.54 119.66 121.46 2qf3 s GLN 170 Ca 0.07 -0.89 0.00 0.00 -2.50 0.00 0.00 55.36 52.04 2qf3 s GLN 170 Cb -0.09 -2.01 0.00 0.00 -1.64 0.00 0.00 33.01 29.27 2qf3 s GLN 170 CO 0.04 0.49 0.00 0.41 0.50 0.00 0.00 175.29 176.74 2qf3 n GLY 171 N 2.60 3.60 3.38 2.59 0.00 -0.49 -4.43 105.19 112.44 2qf3 n GLY 171 Ca -0.16 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 2qf3 n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qf3 s ILE 172 N -1.55 0.65 -0.29 -0.61 -4.36 -1.26 -1.08 121.20 112.70 2qf3 s ILE 172 Ca 0.00 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 2qf3 s ILE 172 Cb 0.00 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 41.12 2qf3 s ILE 172 CO 0.00 0.00 1.06 -0.63 0.24 0.00 0.00 174.94 175.61 2qf3 s ILE 173 N -3.54 4.58 -0.12 8.37 1.01 -0.35 -2.87 121.20 128.28 2qf3 s ILE 173 Ca 0.35 1.84 0.16 0.00 0.00 0.00 0.00 60.65 63.00 2qf3 s ILE 173 Cb 0.07 -4.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.08 2qf3 s ILE 173 CO 0.15 -0.36 1.00 0.28 0.00 0.00 0.00 174.94 176.01 2qf3 h SER 174 N 7.85 0.00 -4.90 3.58 0.02 -0.54 0.19 113.55 119.74 2qf3 h SER 174 Ca -0.20 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 60.99 2qf3 h SER 174 Cb 1.06 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.45 2qf3 h SER 174 CO 1.01 0.57 0.71 0.00 -1.14 0.00 0.00 176.83 177.98 2qf3 s ALA 175 N -2.93 -2.02 0.29 3.77 0.00 -1.19 -4.89 121.76 114.80 2qf3 s ALA 175 Ca -0.01 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.01 2qf3 s ALA 175 Cb 0.08 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2qf3 s ALA 175 CO 0.79 -0.81 0.13 0.95 0.00 0.00 0.00 175.76 176.83 2qf3 s THR 176 N -2.67 0.48 -1.51 0.00 -4.23 -1.26 -1.16 115.64 105.28 2qf3 s THR 176 Ca 0.10 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 2qf3 s THR 176 Cb 0.01 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.29 2qf3 s THR 176 CO -0.04 0.00 0.19 0.61 -0.54 0.00 0.00 174.62 174.84 2qf3 n GLY 177 N -0.56 -0.50 2.61 3.99 0.00 -1.10 -4.94 105.19 104.69 2qf3 n GLY 177 Ca -0.00 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2qf3 n GLY 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qf3 n ARG 178 N -3.27 2.83 0.00 1.61 0.63 -0.77 -4.25 116.66 113.44 2qf3 n ARG 178 Ca -0.17 -2.86 0.00 0.00 -0.92 0.00 0.00 57.85 53.90 2qf3 n ARG 178 Cb 0.64 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 31.32 2qf3 n ARG 178 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2qf3 n GLN 187 N 0.55 0.00 -2.98 -0.14 7.27 -1.26 -1.85 117.38 118.96 2qf3 n GLN 187 Ca 0.51 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.56 2qf3 n GLN 187 Cb 0.43 -1.07 0.00 0.00 2.41 0.00 0.00 30.24 32.01 2qf3 n GLN 187 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2qf3 n ASN 188 N 0.00 -7.77 -3.72 1.69 5.15 -1.26 -5.08 115.26 104.26 2qf3 n ASN 188 Ca 0.00 0.11 -0.13 0.00 -0.60 0.00 0.00 54.58 53.95 2qf3 n ASN 188 Cb 0.00 -5.28 -0.10 0.00 -0.53 0.00 0.00 39.78 33.87 2qf3 n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2qf3 s PHE 189 N -2.88 -0.46 0.21 1.20 0.40 -0.77 -4.53 117.98 111.14 2qf3 s PHE 189 Ca 0.07 1.11 -0.05 0.00 -0.60 0.00 0.00 56.93 57.46 2qf3 s PHE 189 Cb -0.02 0.17 -0.05 0.00 0.51 0.00 0.00 43.02 43.62 2qf3 s PHE 189 CO 0.74 -0.26 0.46 -0.51 0.70 0.00 0.00 175.22 176.36 2qf3 s LEU 190 N 0.07 4.18 0.02 -0.37 1.43 0.93 -1.85 118.68 123.09 2qf3 s LEU 190 Ca -0.01 0.64 0.07 0.00 -1.03 0.00 0.00 54.13 53.80 2qf3 s LEU 190 Cb -0.03 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2qf3 s LEU 190 CO 0.01 -0.06 -0.21 -1.58 0.23 0.00 0.00 176.35 174.74 2qf3 s GLN 191 N -3.07 2.05 0.03 1.70 0.74 -0.31 -1.09 119.66 119.71 2qf3 s GLN 191 Ca 0.42 -0.97 -0.07 0.00 0.05 0.00 0.00 55.36 54.79 2qf3 s GLN 191 Cb -0.11 -2.12 -0.00 0.00 1.10 0.00 0.00 33.01 31.87 2qf3 s GLN 191 CO 0.26 0.55 0.13 -0.08 -0.55 0.00 0.00 175.29 175.60 2qf3 s THR 192 N -0.81 0.11 -1.65 -0.34 -1.32 0.27 0.25 115.64 112.16 2qf3 s THR 192 Ca 0.12 -0.92 0.21 0.00 -1.21 0.00 0.00 61.69 59.89 2qf3 s THR 192 Cb -0.10 -0.74 0.65 0.00 -1.51 0.00 0.00 72.50 70.80 2qf3 s THR 192 CO 0.03 -0.51 1.55 -0.90 -2.21 0.00 0.00 174.62 172.58 2qf3 n ASP 193 N 0.98 4.15 -4.68 8.08 5.75 -1.14 -1.44 116.55 128.25 2qf3 n ASP 193 Ca -0.20 -2.14 -0.42 0.00 -0.01 0.00 0.00 54.79 52.02 2qf3 n ASP 193 Cb 0.58 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 2qf3 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qf3 s ALA 194 N -1.26 3.65 0.08 2.12 0.00 -1.26 -4.63 121.76 120.45 2qf3 s ALA 194 Ca 0.48 1.13 -0.32 0.00 0.00 0.00 0.00 51.96 53.25 2qf3 s ALA 194 Cb 0.27 -3.71 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 2qf3 s ALA 194 CO 0.30 -1.19 1.81 0.43 0.00 0.00 0.00 175.76 177.11 2qf3 n SER 195 N 6.07 3.75 -4.27 0.00 7.64 -1.26 -4.83 113.62 120.71 2qf3 n SER 195 Ca 0.16 1.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.73 2qf3 n SER 195 Cb 0.41 -1.48 -0.16 0.00 -1.01 0.00 0.00 64.21 61.97 2qf3 n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qf3 s ILE 196 N 2.80 2.01 0.20 0.44 -1.09 -1.26 -4.77 121.20 119.52 2qf3 s ILE 196 Ca 0.84 -1.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.20 2qf3 s ILE 196 Cb -0.56 -1.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 2qf3 s ILE 196 CO 0.41 0.56 0.10 0.20 -1.23 0.00 0.00 174.94 174.98 2qf3 s ASN 197 N -0.31 0.49 0.01 3.58 0.01 -1.26 -4.85 114.94 112.61 2qf3 s ASN 197 Ca 0.01 -1.34 -0.36 0.00 -0.71 0.00 0.00 52.86 50.46 2qf3 s ASN 197 Cb -0.12 0.30 -0.15 0.00 0.41 0.00 0.00 41.25 41.68 2qf3 s ASN 197 CO 0.02 -0.78 1.55 1.57 -1.51 0.00 0.00 177.10 177.95 2qf3 n HIS 198 N -0.28 1.91 0.00 2.20 -0.00 -1.26 -0.31 115.22 117.48 2qf3 n HIS 198 Ca -0.00 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 2qf3 n HIS 198 Cb 0.65 -2.45 0.00 0.00 -0.00 0.00 0.00 29.99 28.19 2qf3 n HIS 198 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qf3 n GLY 199 N 3.32 2.27 0.17 1.57 0.00 -1.26 -0.65 105.19 110.61 2qf3 n GLY 199 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 2qf3 n GLY 199 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qf3 h ASN 200 N 0.31 0.00 -1.94 1.61 4.21 -0.89 -2.92 115.58 115.96 2qf3 h ASN 200 Ca 0.00 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 56.87 2qf3 h ASN 200 Cb 0.00 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 37.26 2qf3 h ASN 200 CO 0.00 0.23 0.61 -1.20 -1.29 0.00 0.00 177.43 175.78 2qf3 n SER 201 N -3.09 2.28 0.00 5.81 7.64 -1.26 -1.25 113.62 123.75 2qf3 n SER 201 Ca 0.02 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2qf3 n SER 201 Cb 0.63 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2qf3 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qf3 n GLY 202 N 2.92 1.98 2.62 0.23 0.00 0.78 -0.24 105.19 113.49 2qf3 n GLY 202 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2qf3 n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qf3 n GLY 203 N -2.00 -1.82 3.87 -0.02 0.00 -0.38 -3.49 105.19 101.36 2qf3 n GLY 203 Ca 0.00 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 2qf3 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf3 s ALA 204 N -3.66 3.81 -0.25 4.61 0.00 -1.01 -1.22 121.76 124.04 2qf3 s ALA 204 Ca 0.52 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2qf3 s ALA 204 Cb -0.03 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.99 2qf3 s ALA 204 CO 0.37 0.61 -0.07 -1.17 0.00 0.00 0.00 175.76 175.51 2qf3 s LEU 205 N -1.66 3.20 0.25 0.00 2.96 0.02 -0.41 118.68 123.04 2qf3 s LEU 205 Ca 0.27 -0.92 0.09 0.00 -0.22 0.00 0.00 54.13 53.35 2qf3 s LEU 205 Cb -0.14 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 2qf3 s LEU 205 CO 0.15 -0.13 -0.16 0.68 -1.32 0.00 0.00 176.35 175.57 2qf3 s VAL 206 N 1.30 2.05 0.16 1.68 -7.23 -0.38 0.23 120.40 118.21 2qf3 s VAL 206 Ca -0.01 -2.28 -0.01 0.00 -1.81 0.00 0.00 61.98 57.87 2qf3 s VAL 206 Cb -0.17 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.59 2qf3 s VAL 206 CO -0.05 -0.47 0.21 -0.46 -0.31 0.00 0.00 175.10 174.03 2qf3 n ASN 207 N -0.52 0.17 0.00 4.85 0.23 -0.56 -0.40 115.26 119.03 2qf3 n ASN 207 Ca -0.06 -1.17 0.08 0.00 -0.53 0.00 0.00 54.58 52.89 2qf3 n ASN 207 Cb 0.61 -0.15 0.38 0.00 -2.08 0.00 0.00 39.78 38.54 2qf3 n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2qf3 n SER 208 N -3.05 0.00 -0.24 0.53 3.41 -1.23 -1.29 113.62 111.76 2qf3 n SER 208 Ca 0.03 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 2qf3 n SER 208 Cb 0.11 -0.35 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 2qf3 n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qf3 n LEU 209 N -1.35 1.38 0.00 1.04 4.77 -1.26 -4.08 117.00 117.51 2qf3 n LEU 209 Ca 0.06 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2qf3 n LEU 209 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2qf3 n LEU 209 CO 0.13 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2qf3 n GLY 210 N 1.44 0.75 3.73 -0.72 0.00 -0.41 -4.69 105.19 105.29 2qf3 n GLY 210 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2qf3 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qf3 s GLU 211 N -0.61 4.69 0.08 1.61 2.02 -1.26 -4.22 118.70 121.01 2qf3 s GLU 211 Ca 0.00 1.52 -0.31 0.00 0.02 0.00 0.00 54.97 56.21 2qf3 s GLU 211 Cb 0.00 -3.34 -0.09 0.00 0.10 0.00 0.00 34.13 30.80 2qf3 s GLU 211 CO 0.00 0.21 1.72 -1.17 0.02 0.00 0.00 175.26 176.04 2qf3 s LEU 212 N -0.23 4.38 -0.18 1.80 2.96 -0.08 -1.50 118.68 125.83 2qf3 s LEU 212 Ca 0.47 2.56 0.13 0.00 -0.22 0.00 0.00 54.13 57.07 2qf3 s LEU 212 Cb -0.25 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.67 2qf3 s LEU 212 CO 0.31 -0.93 0.01 0.23 -1.32 0.00 0.00 176.35 174.65 2qf3 n MET 213 N 5.79 1.01 -3.89 1.98 2.81 0.13 -4.78 117.12 120.18 2qf3 n MET 213 Ca 0.17 0.02 0.01 0.00 -1.81 0.00 0.00 57.70 56.09 2qf3 n MET 213 Cb 0.40 -1.45 0.01 0.00 -0.71 0.00 0.00 33.22 31.47 2qf3 n MET 213 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2qf3 s GLY 214 N -5.37 -0.14 -0.29 3.03 0.00 -0.80 -0.69 107.32 103.08 2qf3 s GLY 214 Ca -0.13 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.64 2qf3 s GLY 214 CO 0.68 3.77 0.03 -0.42 0.00 0.00 0.00 173.10 177.16 2qf3 s ILE 215 N -2.16 3.50 0.30 0.90 -1.09 -0.38 -0.80 121.20 121.47 2qf3 s ILE 215 Ca 0.24 -0.93 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 2qf3 s ILE 215 Cb 0.00 -2.84 -0.11 0.00 -1.58 0.00 0.00 42.46 37.93 2qf3 s ILE 215 CO -0.00 0.06 1.54 0.20 -1.23 0.00 0.00 174.94 175.51 2qf3 s ASN 216 N 1.41 6.43 0.07 3.58 0.01 -0.36 -0.71 114.94 125.36 2qf3 s ASN 216 Ca 0.00 2.90 -0.02 0.00 -0.71 0.00 0.00 52.86 55.04 2qf3 s ASN 216 Cb -0.18 -2.64 -0.01 0.00 0.41 0.00 0.00 41.25 38.84 2qf3 s ASN 216 CO 0.00 -0.86 -0.03 0.41 -1.51 0.00 0.00 177.10 175.11 2qf3 n THR 217 N 1.92 1.19 -3.45 1.60 -1.04 0.42 -0.15 114.28 114.77 2qf3 n THR 217 Ca 0.07 0.36 -0.14 0.00 -2.04 0.00 0.00 64.05 62.30 2qf3 n THR 217 Cb 0.38 -1.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 2qf3 n THR 217 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qf3 s LEU 218 N -6.97 -0.60 -0.07 -4.42 1.43 -1.21 -4.55 118.68 102.30 2qf3 s LEU 218 Ca -0.03 0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2qf3 s LEU 218 Cb 0.00 2.58 -0.03 0.00 0.03 0.00 0.00 46.19 48.77 2qf3 s LEU 218 CO 0.04 -0.85 0.03 -0.94 0.23 0.00 0.00 176.35 174.86 2qf3 s SER 219 N -2.22 5.44 0.00 2.29 1.04 -1.26 -1.03 113.70 117.96 2qf3 s SER 219 Ca -0.03 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2qf3 s SER 219 Cb -0.01 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2qf3 s SER 219 CO -0.05 0.36 0.00 0.33 0.98 0.00 0.00 173.24 174.86 2qf3 n PHE 220 N 1.92 0.00 -2.22 5.02 7.35 0.02 -4.98 117.46 124.58 2qf3 n PHE 220 Ca -0.18 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.08 2qf3 n PHE 220 Cb 0.54 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.34 2qf3 n PHE 220 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2qf3 s THR 228 N 0.00 3.76 0.39 -2.13 2.01 -1.26 -4.80 115.64 113.62 2qf3 s THR 228 Ca 0.00 0.80 -0.26 0.00 0.31 0.00 0.00 61.69 62.53 2qf3 s THR 228 Cb 0.00 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 2qf3 s THR 228 CO 0.00 -0.57 1.28 -2.84 -0.69 0.00 0.00 174.62 171.81 2qf3 s PRO 229 N 5.06 4.05 -0.07 4.92 0.02 -1.26 -5.02 135.00 142.70 2qf3 s PRO 229 Ca 0.68 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.86 2qf3 s PRO 229 Cb -0.18 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.53 2qf3 s PRO 229 CO 0.32 -0.41 -0.19 -2.00 -0.33 0.00 0.00 177.00 174.38 2qf3 s GLU 230 N -2.16 2.31 -0.74 5.54 2.12 -1.26 -4.78 118.70 119.73 2qf3 s GLU 230 Ca 0.55 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.18 2qf3 s GLU 230 Cb -0.37 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.15 2qf3 s GLU 230 CO 0.48 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 2qf3 n GLY 231 N 3.40 0.07 3.00 -1.50 0.00 -1.26 -5.01 105.19 103.88 2qf3 n GLY 231 Ca -0.19 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2qf3 n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf3 s ILE 232 N -2.42 2.03 0.12 -0.61 1.01 -1.26 -3.79 121.20 116.28 2qf3 s ILE 232 Ca 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 60.65 58.74 2qf3 s ILE 232 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2qf3 s ILE 232 CO 0.00 -0.40 -0.10 -0.83 0.00 0.00 0.00 174.94 173.61 2qf3 s GLY 233 N 1.08 0.92 0.13 6.18 0.00 -0.52 -0.80 107.32 114.30 2qf3 s GLY 233 Ca 0.04 -1.32 0.08 0.00 0.00 0.00 0.00 44.72 43.51 2qf3 s GLY 233 CO -0.09 -1.41 -0.18 -1.36 0.00 0.00 0.00 173.10 170.07 2qf3 s PHE 234 N -2.90 1.67 -0.00 1.90 0.08 -0.19 -0.56 117.98 117.98 2qf3 s PHE 234 Ca 0.10 -0.47 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 2qf3 s PHE 234 Cb 0.00 -0.87 -0.00 0.00 -0.57 0.00 0.00 43.02 41.57 2qf3 s PHE 234 CO -0.00 0.23 0.08 0.00 -0.10 0.00 0.00 175.22 175.43 2qf3 s ALA 235 N -1.74 -0.18 -0.15 5.36 0.00 -0.25 -0.44 121.76 124.37 2qf3 s ALA 235 Ca 0.10 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 2qf3 s ALA 235 Cb -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2qf3 s ALA 235 CO 0.05 -0.16 1.03 0.42 0.00 0.00 0.00 175.76 177.09 2qf3 s ILE 236 N -1.11 4.73 0.45 0.00 -1.09 0.11 -0.05 121.20 124.23 2qf3 s ILE 236 Ca -0.12 2.02 -0.25 0.00 -2.23 0.00 0.00 60.65 60.07 2qf3 s ILE 236 Cb -0.07 -4.30 -0.09 0.00 -1.58 0.00 0.00 42.46 36.42 2qf3 s ILE 236 CO 0.00 -0.06 1.41 -0.81 -1.23 0.00 0.00 174.94 174.25 2qf3 n PRO 237 N 5.47 2.21 -0.05 2.79 -0.04 -1.26 -1.25 135.00 142.87 2qf3 n PRO 237 Ca 0.10 0.79 0.15 0.00 -0.04 0.00 0.00 63.50 64.49 2qf3 n PRO 237 Cb 0.48 -2.59 0.57 0.00 -0.04 0.00 0.00 33.50 31.91 2qf3 n PRO 237 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2qf3 h PHE 238 N 2.27 0.28 -0.25 0.54 -5.15 -1.21 -0.65 116.94 112.77 2qf3 h PHE 238 Ca -0.50 0.01 -0.04 0.00 -0.20 0.00 0.00 57.97 57.24 2qf3 h PHE 238 Cb 1.27 -0.09 -0.01 0.00 0.22 0.00 0.00 35.95 37.34 2qf3 h PHE 238 CO 0.49 0.13 0.02 1.96 -2.00 0.00 0.00 178.31 178.91 2qf3 h GLN 239 N 0.26 0.43 -0.24 6.09 7.50 -1.90 -0.79 115.11 126.45 2qf3 h GLN 239 Ca 0.27 -0.13 -0.03 0.00 0.50 0.00 0.00 58.65 59.26 2qf3 h GLN 239 Cb 0.70 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 2qf3 h GLN 239 CO -0.06 0.58 0.05 1.25 -1.50 0.00 0.00 178.83 179.15 2qf3 h LEU 240 N 0.22 0.38 -0.54 1.46 5.85 -1.74 -1.86 115.31 119.07 2qf3 h LEU 240 Ca 0.07 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2qf3 h LEU 240 Cb 0.37 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2qf3 h LEU 240 CO 0.01 0.53 0.16 0.00 -0.34 0.00 0.00 178.44 178.80 2qf3 h ALA 241 N 0.86 0.66 -0.55 1.25 0.00 -0.98 0.72 119.26 121.22 2qf3 h ALA 241 Ca 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2qf3 h ALA 241 Cb 0.31 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2qf3 h ALA 241 CO 0.00 -0.25 0.22 1.15 0.00 0.00 0.00 179.25 180.37 2qf3 h THR 242 N 0.32 1.22 -0.22 0.00 2.02 -1.04 0.24 112.91 115.45 2qf3 h THR 242 Ca 0.27 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2qf3 h THR 242 Cb 0.35 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2qf3 h THR 242 CO -0.31 0.26 0.08 0.11 0.37 0.00 0.00 175.52 176.04 2qf3 h LYS 243 N 0.75 0.33 -0.90 6.66 1.57 -0.63 -1.72 116.57 122.62 2qf3 h LYS 243 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2qf3 h LYS 243 Cb 0.20 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2qf3 h LYS 243 CO -0.01 0.39 0.56 0.82 -0.57 0.00 0.00 179.45 180.63 2qf3 h ILE 244 N 0.19 1.24 -0.16 1.86 1.08 -0.72 -2.17 117.51 118.83 2qf3 h ILE 244 Ca 0.07 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2qf3 h ILE 244 Cb 0.19 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.89 2qf3 h ILE 244 CO -0.01 0.25 0.08 -0.03 -0.69 0.00 0.00 178.15 177.75 2qf3 h MET 245 N 1.23 0.24 -0.77 2.37 4.05 -0.62 -1.57 114.93 119.87 2qf3 h MET 245 Ca 0.32 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.72 2qf3 h MET 245 Cb -0.08 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.63 2qf3 h MET 245 CO -0.06 0.29 0.50 -0.44 0.23 0.00 0.00 176.91 177.43 2qf3 h ASP 246 N 0.13 0.86 -0.38 1.39 3.32 -1.14 -1.60 116.42 119.00 2qf3 h ASP 246 Ca 0.06 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2qf3 h ASP 246 Cb 0.13 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2qf3 h ASP 246 CO -0.01 0.61 0.24 0.11 -1.72 0.00 0.00 179.24 178.48 2qf3 h LYS 247 N 1.01 0.48 -0.80 3.56 1.57 -1.16 0.09 116.57 121.32 2qf3 h LYS 247 Ca 0.29 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2qf3 h LYS 247 Cb -0.08 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 2qf3 h LYS 247 CO -0.08 0.32 0.38 -0.07 -0.57 0.00 0.00 179.45 179.43 2qf3 h LEU 248 N 0.49 1.03 -0.11 2.94 3.38 -0.90 0.16 115.31 122.30 2qf3 h LEU 248 Ca 0.14 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2qf3 h LEU 248 Cb -0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2qf3 h LEU 248 CO -0.04 0.87 -0.03 0.40 0.09 0.00 0.00 178.44 179.73 2qf3 h ILE 249 N 1.13 1.30 0.23 1.22 2.04 -1.03 -3.36 117.51 119.04 2qf3 h ILE 249 Ca 0.27 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2qf3 h ILE 249 Cb 0.11 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2qf3 h ILE 249 CO -0.04 0.28 -0.11 -0.09 0.00 0.00 0.00 178.15 178.19 2qf3 h ARG 250 N -0.11 -0.30 -0.02 2.37 2.43 -0.80 -3.52 114.38 114.44 2qf3 h ARG 250 Ca 0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2qf3 h ARG 250 Cb 0.45 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2qf3 h ARG 250 CO 0.01 -0.20 0.00 -0.25 -1.51 0.00 0.00 179.97 178.02