#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qy6 h LEU 21 N 0.00 0.00 -0.18 2.46 3.38 -2.04 0.62 115.31 119.55 2qy6 h LEU 21 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qy6 h LEU 21 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qy6 h LEU 21 CO 0.00 0.17 0.06 0.50 0.09 0.00 0.00 178.44 179.26 2qy6 h LYS 22 N 0.00 0.28 0.00 1.13 3.64 -2.01 -3.37 116.57 116.25 2qy6 h LYS 22 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2qy6 h LYS 22 Cb 0.36 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2qy6 h LYS 22 CO 0.02 0.39 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 2qy6 n HIS 23 N -4.82 0.00 0.00 1.91 8.25 -1.23 -4.96 115.22 114.38 2qy6 n HIS 23 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2qy6 n HIS 23 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2qy6 n HIS 23 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2qy6 n TYR 24 N -0.38 0.00 1.14 4.41 4.01 0.21 -1.14 117.16 125.41 2qy6 n TYR 24 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 2qy6 n TYR 24 Cb 0.01 0.00 0.37 0.00 -0.31 0.00 0.00 39.34 39.42 2qy6 n TYR 24 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qy6 n SER 25 N 3.54 0.63 -4.73 7.72 3.41 -1.26 -4.81 113.62 118.12 2qy6 n SER 25 Ca 0.00 -0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 57.74 2qy6 n SER 25 Cb 0.00 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2qy6 n SER 25 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qy6 s ILE 26 N -2.76 3.61 -0.23 -1.33 -1.09 -0.29 -5.02 121.20 114.09 2qy6 s ILE 26 Ca 0.18 1.33 -0.04 0.00 -2.23 0.00 0.00 60.65 59.89 2qy6 s ILE 26 Cb 0.19 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2qy6 s ILE 26 CO 0.59 0.20 -0.02 -1.58 -1.23 0.00 0.00 174.94 172.90 2qy6 s GLN 27 N -0.07 3.35 0.58 2.79 0.74 -1.26 -4.79 119.66 120.99 2qy6 s GLN 27 Ca 0.54 -0.65 -0.20 0.00 0.05 0.00 0.00 55.36 55.10 2qy6 s GLN 27 Cb -0.32 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 2qy6 s GLN 27 CO 0.36 -0.23 1.14 -2.30 -0.55 0.00 0.00 175.29 173.71 2qy6 n PRO 28 N 4.81 1.21 -1.72 1.67 -0.02 -1.26 -4.08 135.00 135.61 2qy6 n PRO 28 Ca -0.18 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2qy6 n PRO 28 Cb 0.50 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 2qy6 n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qy6 n ALA 29 N -1.44 1.60 -2.82 3.55 0.00 0.83 -4.86 120.51 117.37 2qy6 n ALA 29 Ca 0.13 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 2qy6 n ALA 29 Cb 0.46 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 2qy6 n ALA 29 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qy6 s ASN 30 N -0.19 5.70 0.14 0.00 2.47 -1.26 -4.71 114.94 117.09 2qy6 s ASN 30 Ca 0.56 -0.85 0.09 0.00 0.42 0.00 0.00 52.86 53.08 2qy6 s ASN 30 Cb -0.55 -2.02 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 2qy6 s ASN 30 CO 0.61 -0.33 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.75 2qy6 s LEU 31 N 1.58 2.78 0.00 3.21 1.43 -1.26 -0.41 118.68 126.01 2qy6 s LEU 31 Ca 0.03 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2qy6 s LEU 31 Cb -0.19 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2qy6 s LEU 31 CO 0.07 0.15 -0.20 -0.70 0.23 0.00 0.00 176.35 175.90 2qy6 s GLU 32 N -2.38 1.57 -0.20 1.70 2.12 -0.40 -4.92 118.70 116.18 2qy6 s GLU 32 Ca 0.20 -0.80 -0.12 0.00 0.36 0.00 0.00 54.97 54.62 2qy6 s GLU 32 Cb -0.10 -1.57 -0.05 0.00 0.26 0.00 0.00 34.13 32.68 2qy6 s GLU 32 CO 0.12 0.42 0.22 -0.06 -0.54 0.00 0.00 175.26 175.42 2qy6 s PHE 33 N -0.58 3.39 0.85 5.30 0.08 -1.26 -0.94 117.98 124.83 2qy6 s PHE 33 Ca 0.08 0.41 -0.09 0.00 0.12 0.00 0.00 56.93 57.45 2qy6 s PHE 33 Cb -0.08 -2.30 0.17 0.00 -0.57 0.00 0.00 43.02 40.24 2qy6 s PHE 33 CO 0.00 0.17 1.17 0.54 -0.10 0.00 0.00 175.22 177.00 2qy6 s ASN 34 N 0.70 3.66 0.64 1.36 2.20 -0.44 -4.83 114.94 118.22 2qy6 s ASN 34 Ca 0.12 -0.08 0.30 0.00 -0.94 0.00 0.00 52.86 52.27 2qy6 s ASN 34 Cb -0.13 -0.10 1.65 0.00 -2.00 0.00 0.00 41.25 40.67 2qy6 s ASN 34 CO 0.03 -2.35 1.97 0.00 -2.94 0.00 0.00 177.10 173.80 2qy6 h ALA 35 N -1.13 1.55 -0.02 3.54 0.00 -1.98 0.53 119.26 121.76 2qy6 h ALA 35 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qy6 h ALA 35 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qy6 h ALA 35 CO 0.38 -0.39 -0.20 0.39 0.00 0.00 0.00 179.25 179.43 2qy6 n GLU 36 N -3.19 1.63 -0.82 0.00 1.02 -1.26 -4.94 120.64 113.07 2qy6 n GLU 36 Ca 0.01 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 2qy6 n GLU 36 Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2qy6 n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qy6 n GLY 37 N 1.35 0.56 3.73 0.62 0.00 0.19 -5.06 105.19 106.58 2qy6 n GLY 37 Ca 0.13 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 2qy6 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qy6 s THR 38 N -2.00 4.42 0.05 2.61 2.01 -1.26 -4.68 115.64 116.79 2qy6 s THR 38 Ca 0.00 2.06 -0.30 0.00 0.31 0.00 0.00 61.69 63.76 2qy6 s THR 38 Cb 0.00 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 2qy6 s THR 38 CO 0.00 0.34 1.72 -2.16 -0.69 0.00 0.00 174.62 173.83 2qy6 s PRO 39 N -0.18 4.18 -0.14 4.92 0.04 -1.26 -1.33 135.00 141.23 2qy6 s PRO 39 Ca 0.46 2.38 0.01 0.00 0.04 0.00 0.00 61.00 63.89 2qy6 s PRO 39 Cb -0.24 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 2qy6 s PRO 39 CO 0.30 -0.80 -0.16 0.08 0.04 0.00 0.00 177.00 176.46 2qy6 s VAL 40 N 3.16 2.68 -0.11 -0.36 1.01 -0.11 -1.42 120.40 125.26 2qy6 s VAL 40 Ca 0.77 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 2qy6 s VAL 40 Cb -0.40 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2qy6 s VAL 40 CO 0.34 0.52 1.50 -0.55 0.00 0.00 0.00 175.10 176.91 2qy6 s SER 41 N 0.61 6.76 0.00 3.32 0.15 -0.30 -1.28 113.70 122.96 2qy6 s SER 41 Ca -0.09 1.98 0.29 0.00 0.70 0.00 0.00 55.95 58.83 2qy6 s SER 41 Cb -0.16 -2.54 1.25 0.00 -1.71 0.00 0.00 66.02 62.87 2qy6 s SER 41 CO 0.03 -0.88 1.88 0.54 1.20 0.00 0.00 173.24 176.01 2qy6 n ARG 42 N 6.96 0.51 0.13 5.44 5.12 0.45 -0.46 116.66 134.81 2qy6 n ARG 42 Ca 0.16 -0.14 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 2qy6 n ARG 42 Cb 0.44 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.09 2qy6 n ARG 42 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2qy6 h ASP 43 N 0.33 0.70 0.00 0.55 3.32 -1.91 -3.39 116.42 116.02 2qy6 h ASP 43 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2qy6 h ASP 43 Cb 0.36 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2qy6 h ASP 43 CO 0.00 1.60 0.00 0.49 -1.72 0.00 0.00 179.24 179.61 2qy6 n PHE 44 N -3.65 0.00 -3.35 4.55 3.72 -1.24 -5.05 117.46 112.44 2qy6 n PHE 44 Ca -0.15 -0.04 -0.17 0.00 -0.05 0.00 0.00 57.45 57.05 2qy6 n PHE 44 Cb 1.08 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.70 2qy6 n PHE 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2qy6 n ASP 45 N -0.04 -2.47 -3.61 4.37 8.00 0.39 -4.87 116.55 118.32 2qy6 n ASP 45 Ca 0.00 -0.57 -0.15 0.00 0.71 0.00 0.00 54.79 54.79 2qy6 n ASP 45 Cb 0.04 -4.80 -0.06 0.00 -0.02 0.00 0.00 41.12 36.28 2qy6 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qy6 s ASP 46 N -4.16 -0.42 0.56 -2.24 -1.08 -1.14 -4.99 116.67 103.20 2qy6 s ASP 46 Ca 0.06 0.25 -0.21 0.00 -0.52 0.00 0.00 52.55 52.14 2qy6 s ASP 46 Cb -0.03 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.85 2qy6 s ASP 46 CO 0.68 -0.64 1.32 0.68 0.52 0.00 0.00 175.17 177.73 2qy6 s VAL 47 N -1.96 2.19 -0.10 1.11 -7.23 -1.26 -1.15 120.40 112.01 2qy6 s VAL 47 Ca -0.08 0.14 0.22 0.00 -1.81 0.00 0.00 61.98 60.45 2qy6 s VAL 47 Cb -0.01 -3.07 0.23 0.00 0.56 0.00 0.00 36.38 34.09 2qy6 s VAL 47 CO 0.02 -0.01 1.69 1.88 -0.31 0.00 0.00 175.10 178.37 2qy6 h TYR 48 N 1.27 0.00 -2.86 2.82 0.05 -1.61 -3.46 116.97 113.17 2qy6 h TYR 48 Ca -0.51 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.33 2qy6 h TYR 48 Cb 1.30 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.96 2qy6 h TYR 48 CO 0.46 0.22 0.27 -0.59 -1.05 0.00 0.00 178.16 177.47 2qy6 s PHE 49 N -3.35 -0.31 -0.21 4.88 -0.12 -1.26 -4.97 117.98 112.63 2qy6 s PHE 49 Ca 0.03 -0.02 -0.29 0.00 -0.05 0.00 0.00 56.93 56.60 2qy6 s PHE 49 Cb 0.08 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 43.07 2qy6 s PHE 49 CO 0.66 -1.00 1.73 0.45 -0.05 0.00 0.00 175.22 177.01 2qy6 s SER 50 N -2.83 6.24 0.26 1.98 0.15 -1.26 -4.93 113.70 113.31 2qy6 s SER 50 Ca 0.07 1.70 -0.02 0.00 0.70 0.00 0.00 55.95 58.40 2qy6 s SER 50 Cb -0.03 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.29 2qy6 s SER 50 CO -0.02 -1.36 1.72 -1.13 1.20 0.00 0.00 173.24 173.65 2qy6 h ASN 51 N 11.39 0.27 -0.12 5.45 -0.73 -1.99 -1.56 115.58 128.29 2qy6 h ASN 51 Ca -0.36 0.13 -0.19 0.00 1.87 0.00 0.00 56.30 57.75 2qy6 h ASN 51 Cb 1.17 0.11 0.01 0.00 0.27 0.00 0.00 38.32 39.88 2qy6 h ASN 51 CO 1.00 0.06 -0.65 0.44 -0.37 0.00 0.00 177.43 177.91 2qy6 h ASP 52 N 0.42 0.79 0.00 1.15 3.32 -2.02 -3.41 116.42 116.67 2qy6 h ASP 52 Ca 0.46 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2qy6 h ASP 52 Cb 0.76 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2qy6 h ASP 52 CO -0.45 1.30 0.00 0.59 -1.72 0.00 0.00 179.24 178.96 2qy6 n ASN 53 N -4.08 0.83 -0.17 6.45 5.03 -1.17 -4.90 115.26 117.26 2qy6 n ASN 53 Ca -0.08 -1.41 -0.07 0.00 0.87 0.00 0.00 54.58 53.90 2qy6 n ASN 53 Cb 0.68 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.43 2qy6 n ASN 53 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2qy6 h GLY 54 N 0.00 -0.23 0.96 7.41 0.00 -1.53 0.42 103.07 110.10 2qy6 h GLY 54 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2qy6 h GLY 54 CO 0.00 -0.20 -0.20 -2.00 0.00 0.00 0.00 176.54 174.14 2qy6 h LEU 55 N -0.21 -0.48 -1.23 3.11 5.85 -1.90 -0.72 115.31 119.72 2qy6 h LEU 55 Ca 0.20 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2qy6 h LEU 55 Cb 0.55 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2qy6 h LEU 55 CO -0.62 -0.30 0.51 -0.33 -0.34 0.00 0.00 178.44 177.35 2qy6 h GLU 56 N -0.61 1.02 -0.13 1.25 4.39 -1.86 0.74 114.58 119.39 2qy6 h GLU 56 Ca -0.06 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 2qy6 h GLU 56 Cb 0.46 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2qy6 h GLU 56 CO 0.09 0.68 -0.04 1.49 -1.16 0.00 0.00 179.01 180.08 2qy6 h GLU 57 N 1.05 0.25 -0.59 2.33 4.81 0.01 -1.63 114.58 120.81 2qy6 h GLU 57 Ca 0.28 -0.10 0.11 0.00 -0.13 0.00 0.00 59.36 59.52 2qy6 h GLU 57 Cb -0.11 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.17 2qy6 h GLU 57 CO -0.06 0.55 0.14 1.15 -0.73 0.00 0.00 179.01 180.06 2qy6 h THR 58 N -0.07 0.67 -0.79 0.32 2.02 -0.86 0.74 112.91 114.94 2qy6 h THR 58 Ca 0.03 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2qy6 h THR 58 Cb 0.46 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2qy6 h THR 58 CO 0.01 0.05 0.47 0.03 0.37 0.00 0.00 175.52 176.46 2qy6 h ARG 59 N 0.28 1.07 -0.02 6.66 3.08 -0.59 -1.10 114.38 123.77 2qy6 h ARG 59 Ca 0.31 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2qy6 h ARG 59 Cb 0.44 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2qy6 h ARG 59 CO -0.38 0.76 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.34 2qy6 h TYR 60 N 1.08 0.06 0.46 3.04 3.20 -0.61 0.38 116.97 124.59 2qy6 h TYR 60 Ca 0.28 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2qy6 h TYR 60 Cb -0.03 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2qy6 h TYR 60 CO -0.01 0.55 -0.22 0.28 -1.64 0.00 0.00 178.16 177.12 2qy6 h VAL 61 N -0.45 0.43 0.12 1.81 2.07 -0.80 -2.35 116.25 117.08 2qy6 h VAL 61 Ca 0.00 -0.45 -0.36 0.00 0.82 0.00 0.00 66.70 66.71 2qy6 h VAL 61 Cb 0.54 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2qy6 h VAL 61 CO 0.01 0.06 -1.99 0.49 0.02 0.00 0.00 177.57 176.15 2qy6 n PHE 62 N -5.25 1.24 -0.01 1.57 3.72 -0.42 -1.55 117.46 116.76 2qy6 n PHE 62 Ca -0.10 0.27 -0.08 0.00 -0.05 0.00 0.00 57.45 57.48 2qy6 n PHE 62 Cb 0.30 -1.16 -0.06 0.00 -0.94 0.00 0.00 39.48 37.62 2qy6 n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qy6 h LEU 63 N 0.07 -0.08 -0.43 4.37 4.07 -1.48 -3.06 115.31 118.78 2qy6 h LEU 63 Ca -0.42 -0.41 0.06 0.00 0.08 0.00 0.00 57.88 57.18 2qy6 h LEU 63 Cb 2.03 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 43.74 2qy6 h LEU 63 CO 0.09 0.59 0.14 1.23 -1.08 0.00 0.00 178.44 179.41 2qy6 h GLY 64 N -0.97 0.54 1.85 0.83 0.00 -0.12 -0.21 103.07 105.00 2qy6 h GLY 64 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 2qy6 h GLY 64 CO 0.01 0.01 -0.17 -1.33 0.00 0.00 0.00 176.54 175.07 2qy6 h GLY 65 N 0.30 0.19 -1.72 4.60 0.00 -0.73 -2.35 103.07 103.36 2qy6 h GLY 65 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2qy6 h GLY 65 CO -0.22 0.11 0.00 0.70 0.00 0.00 0.00 176.54 177.14 2qy6 n ASN 66 N -4.26 2.78 -3.72 0.19 3.02 -1.05 -4.73 115.26 107.50 2qy6 n ASN 66 Ca -0.01 -1.89 -0.24 0.00 -0.03 0.00 0.00 54.58 52.41 2qy6 n ASN 66 Cb 0.28 -0.12 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 2qy6 n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qy6 n GLN 67 N 1.10 -5.97 -0.03 3.52 6.02 -0.18 -4.90 117.38 116.94 2qy6 n GLN 67 Ca 0.17 0.69 -0.15 0.00 -0.01 0.00 0.00 57.00 57.70 2qy6 n GLN 67 Cb 0.53 -5.52 -0.09 0.00 1.02 0.00 0.00 30.24 26.18 2qy6 n GLN 67 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2qy6 h LEU 68 N -2.11 0.43 -1.11 1.08 3.38 -1.61 -1.99 115.31 113.37 2qy6 h LEU 68 Ca -0.59 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 56.76 2qy6 h LEU 68 Cb 1.36 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2qy6 h LEU 68 CO 0.59 0.99 0.60 -0.33 0.09 0.00 0.00 178.44 180.39 2qy6 h GLU 69 N -0.12 1.16 -0.14 1.13 5.08 -1.91 -0.94 114.58 118.85 2qy6 h GLU 69 Ca -0.02 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 2qy6 h GLU 69 Cb 0.97 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2qy6 h GLU 69 CO 0.07 0.77 -0.56 0.00 -1.00 0.00 0.00 179.01 178.28 2qy6 h ALA 70 N 1.45 0.77 -0.06 3.43 0.00 -1.95 -3.32 119.26 119.58 2qy6 h ALA 70 Ca 0.35 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 2qy6 h ALA 70 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qy6 h ALA 70 CO -0.09 0.70 -0.79 0.00 0.00 0.00 0.00 179.25 179.06 2qy6 h ARG 71 N 0.32 0.40 -0.55 0.00 3.08 -0.42 -3.37 114.38 113.84 2qy6 h ARG 71 Ca 0.00 -0.36 0.08 0.00 0.07 0.00 0.00 59.98 59.77 2qy6 h ARG 71 Cb 1.09 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 2qy6 h ARG 71 CO 0.10 1.01 0.20 0.74 -1.07 0.00 0.00 179.97 180.95 2qy6 h PHE 72 N 0.26 0.36 0.00 3.04 0.04 -1.39 -0.30 116.94 118.95 2qy6 h PHE 72 Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2qy6 h PHE 72 Cb 1.39 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.46 2qy6 h PHE 72 CO 0.05 0.11 0.00 -1.00 -0.60 0.00 0.00 178.31 176.87 2qy6 h PRO 73 N 0.39 0.00 -0.02 1.51 0.13 -1.79 -2.75 132.00 129.46 2qy6 h PRO 73 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 2qy6 h PRO 73 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2qy6 h PRO 73 CO -0.27 0.00 -0.04 0.39 -0.23 0.00 0.00 178.00 177.86 2qy6 n GLU 74 N -2.36 1.50 -2.09 0.86 -0.58 -0.50 -4.84 120.64 112.62 2qy6 n GLU 74 Ca 0.03 -1.49 -0.42 0.00 -0.42 0.00 0.00 57.16 54.85 2qy6 n GLU 74 Cb 0.29 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 2qy6 n GLU 74 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2qy6 s HIS 75 N -1.54 2.14 -0.17 -0.32 2.46 -0.24 -4.90 115.29 112.73 2qy6 s HIS 75 Ca 0.20 0.39 0.00 0.00 0.47 0.00 0.00 55.06 56.12 2qy6 s HIS 75 Cb 0.15 -3.85 0.15 0.00 -0.13 0.00 0.00 32.58 28.90 2qy6 s HIS 75 CO 0.24 -3.33 1.74 -0.35 -2.47 0.00 0.00 174.74 170.57 2qy6 n PRO 76 N 7.13 1.44 -3.80 2.88 -0.04 -1.26 -4.19 135.00 137.15 2qy6 n PRO 76 Ca 0.17 -0.91 -0.11 0.00 -0.04 0.00 0.00 63.50 62.61 2qy6 n PRO 76 Cb 0.43 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 2qy6 n PRO 76 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2qy6 s HIS 77 N -1.03 -0.04 -0.44 0.54 3.76 -1.26 -5.05 115.29 111.76 2qy6 s HIS 77 Ca 0.18 -0.08 0.26 0.00 -0.15 0.00 0.00 55.06 55.27 2qy6 s HIS 77 Cb 0.14 0.03 0.95 0.00 1.11 0.00 0.00 32.58 34.81 2qy6 s HIS 77 CO 0.01 -0.43 1.77 -1.00 -0.85 0.00 0.00 174.74 174.24 2qy6 h PRO 78 N 3.53 0.00 -5.95 8.40 0.13 -1.88 -3.26 132.00 132.97 2qy6 h PRO 78 Ca -0.31 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.17 2qy6 h PRO 78 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 2qy6 h PRO 78 CO 0.45 0.00 -0.87 -1.17 -0.23 0.00 0.00 178.00 176.18 2qy6 s LEU 79 N -4.95 2.02 -0.15 1.56 2.96 -1.26 -1.60 118.68 117.25 2qy6 s LEU 79 Ca 0.06 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2qy6 s LEU 79 Cb 0.10 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2qy6 s LEU 79 CO 0.50 0.24 -0.09 0.12 -1.32 0.00 0.00 176.35 175.80 2qy6 s PHE 80 N -0.27 2.89 -0.23 5.38 5.36 -0.59 -5.00 117.98 125.53 2qy6 s PHE 80 Ca 0.01 -0.63 -0.05 0.00 -0.96 0.00 0.00 56.93 55.30 2qy6 s PHE 80 Cb -0.11 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 2qy6 s PHE 80 CO 0.02 -0.24 -0.01 0.08 -1.46 0.00 0.00 175.22 173.60 2qy6 s VAL 81 N 0.58 3.67 -0.08 3.12 1.01 -1.26 -1.50 120.40 125.93 2qy6 s VAL 81 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2qy6 s VAL 81 Cb -0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2qy6 s VAL 81 CO 0.03 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 2qy6 s VAL 82 N 1.49 3.63 -0.05 2.92 1.01 -0.44 -0.99 120.40 127.97 2qy6 s VAL 82 Ca 0.06 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2qy6 s VAL 82 Cb -0.14 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 2qy6 s VAL 82 CO -0.01 0.58 -0.19 0.00 0.00 0.00 0.00 175.10 175.48 2qy6 s ALA 83 N -0.57 1.68 -0.03 5.51 0.00 -0.81 -0.31 121.76 127.23 2qy6 s ALA 83 Ca 0.08 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.32 2qy6 s ALA 83 Cb -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2qy6 s ALA 83 CO 0.02 0.31 -0.17 -2.00 0.00 0.00 0.00 175.76 173.92 2qy6 s GLU 84 N -0.00 1.57 0.18 0.00 2.12 0.13 -0.98 118.70 121.72 2qy6 s GLU 84 Ca -0.04 -0.61 0.09 0.00 0.36 0.00 0.00 54.97 54.77 2qy6 s GLU 84 Cb -0.12 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.79 2qy6 s GLU 84 CO 0.03 0.31 1.38 0.66 -0.54 0.00 0.00 175.26 177.09 2qy6 h SER 85 N 5.97 0.00 -2.98 -1.70 4.64 -1.37 -2.97 113.55 115.15 2qy6 h SER 85 Ca -0.35 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.68 2qy6 h SER 85 Cb 1.16 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.90 2qy6 h SER 85 CO 0.48 0.85 -0.62 -0.83 -0.87 0.00 0.00 176.83 175.83 2qy6 s GLY 86 N -4.62 0.03 0.05 -0.77 0.00 -1.21 -4.26 107.32 96.53 2qy6 s GLY 86 Ca 0.01 0.55 -0.20 0.00 0.00 0.00 0.00 44.72 45.07 2qy6 s GLY 86 CO 0.80 1.79 1.41 -2.75 0.00 0.00 0.00 173.10 174.34 2qy6 h PHE 87 N 8.35 0.41 0.00 1.90 3.57 -1.57 -3.37 116.94 126.22 2qy6 h PHE 87 Ca -0.14 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2qy6 h PHE 87 Cb 1.12 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2qy6 h PHE 87 CO 0.37 0.66 0.00 0.41 -2.23 0.00 0.00 178.31 177.52 2qy6 n GLY 88 N -0.01 3.08 0.11 2.40 0.00 -1.26 -1.34 105.19 108.17 2qy6 n GLY 88 Ca -0.05 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2qy6 n GLY 88 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qy6 n THR 89 N 0.00 0.68 -0.55 2.61 -2.24 -1.26 -4.68 114.28 108.84 2qy6 n THR 89 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2qy6 n THR 89 Cb 0.00 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 2qy6 n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qy6 n GLY 90 N 0.69 0.75 0.23 3.38 0.00 -0.45 -4.94 105.19 104.85 2qy6 n GLY 90 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2qy6 n GLY 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qy6 h LEU 91 N 0.00 -0.21 -0.64 0.99 5.85 -1.92 0.19 115.31 119.56 2qy6 h LEU 91 Ca 0.00 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2qy6 h LEU 91 Cb 0.00 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2qy6 h LEU 91 CO 0.00 -0.09 0.40 0.78 -0.34 0.00 0.00 178.44 179.19 2qy6 h ASN 92 N 0.15 0.76 -0.21 1.25 2.35 -1.93 -0.26 115.58 117.68 2qy6 h ASN 92 Ca 0.32 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2qy6 h ASN 92 Cb 0.51 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2qy6 h ASN 92 CO -0.50 0.58 0.05 0.15 -1.65 0.00 0.00 177.43 176.06 2qy6 h PHE 93 N 0.87 0.37 -0.76 1.19 3.57 -1.51 -0.70 116.94 119.97 2qy6 h PHE 93 Ca 0.23 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2qy6 h PHE 93 Cb -0.05 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2qy6 h PHE 93 CO -0.02 0.46 0.29 -0.07 -2.23 0.00 0.00 178.31 176.74 2qy6 h LEU 94 N 0.16 1.06 -0.69 0.59 3.38 -0.54 0.43 115.31 119.71 2qy6 h LEU 94 Ca 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qy6 h LEU 94 Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2qy6 h LEU 94 CO 0.00 0.95 0.37 0.74 0.09 0.00 0.00 178.44 180.59 2qy6 h THR 95 N 1.10 1.22 -0.36 0.22 2.02 -0.94 -1.27 112.91 114.90 2qy6 h THR 95 Ca 0.25 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 2qy6 h THR 95 Cb 0.24 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2qy6 h THR 95 CO -0.02 0.24 -0.12 0.25 0.37 0.00 0.00 175.52 176.24 2qy6 h LEU 96 N 0.95 0.73 -0.08 2.58 5.85 -0.62 -2.15 115.31 122.57 2qy6 h LEU 96 Ca 0.24 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2qy6 h LEU 96 Cb 0.05 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2qy6 h LEU 96 CO -0.04 0.95 0.05 -0.25 -0.34 0.00 0.00 178.44 178.81 2qy6 h TRP 97 N 0.51 0.11 -0.35 1.25 7.01 -0.66 0.27 115.95 124.09 2qy6 h TRP 97 Ca 0.09 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.16 2qy6 h TRP 97 Cb 0.65 -0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 27.58 2qy6 h TRP 97 CO 0.05 0.11 -0.35 0.37 -2.79 0.00 0.00 178.44 175.83 2qy6 h GLN 98 N 0.08 -0.29 -0.62 2.65 4.15 -1.28 0.16 115.11 119.96 2qy6 h GLN 98 Ca 0.03 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.54 2qy6 h GLN 98 Cb 0.03 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 2qy6 h GLN 98 CO -0.01 -0.19 0.29 0.00 -1.93 0.00 0.00 178.83 177.00 2qy6 h ALA 99 N 0.61 0.81 -0.29 3.38 0.00 -0.81 0.11 119.26 123.08 2qy6 h ALA 99 Ca 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2qy6 h ALA 99 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qy6 h ALA 99 CO -0.51 -0.08 0.10 0.35 0.00 0.00 0.00 179.25 179.11 2qy6 h PHE 100 N 0.54 0.46 -0.58 0.00 3.57 -0.05 0.15 116.94 121.02 2qy6 h PHE 100 Ca 0.29 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.80 2qy6 h PHE 100 Cb 0.27 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 2qy6 h PHE 100 CO -0.12 0.47 0.31 -0.44 -2.23 0.00 0.00 178.31 176.31 2qy6 h ASP 101 N 0.32 0.47 -0.60 0.41 5.19 -0.15 -0.29 116.42 121.76 2qy6 h ASP 101 Ca 0.10 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.56 2qy6 h ASP 101 Cb 0.22 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 2qy6 h ASP 101 CO -0.01 0.31 0.37 1.56 -3.12 0.00 0.00 179.24 178.36 2qy6 h GLN 102 N 0.60 0.70 -0.81 3.56 4.20 -0.59 -2.03 115.11 120.74 2qy6 h GLN 102 Ca 0.26 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2qy6 h GLN 102 Cb 0.14 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2qy6 h GLN 102 CO -0.16 0.47 0.49 0.35 -0.67 0.00 0.00 178.83 179.31 2qy6 h PHE 103 N 0.72 1.07 -0.44 2.96 3.57 -0.00 -2.52 116.94 122.30 2qy6 h PHE 103 Ca 0.24 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 2qy6 h PHE 103 Cb 0.03 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 2qy6 h PHE 103 CO -0.06 0.71 -0.16 0.00 -2.23 0.00 0.00 178.31 176.58 2qy6 h ARG 104 N 1.11 0.83 -0.66 1.11 3.08 -0.72 0.11 114.38 119.25 2qy6 h ARG 104 Ca 0.29 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2qy6 h ARG 104 Cb -0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 2qy6 h ARG 104 CO -0.06 0.94 0.43 1.49 -1.07 0.00 0.00 179.97 181.70 2qy6 h GLU 105 N 0.74 0.83 0.00 0.04 4.57 -1.23 -1.85 114.58 117.68 2qy6 h GLU 105 Ca 0.11 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.05 2qy6 h GLU 105 Cb 0.67 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 2qy6 h GLU 105 CO 0.05 0.55 -0.95 0.00 -1.18 0.00 0.00 179.01 177.48 2qy6 h ALA 106 N 1.26 0.40 -2.12 2.92 0.00 -1.23 -3.38 119.26 117.10 2qy6 h ALA 106 Ca 0.25 -0.86 -0.54 0.00 0.00 0.00 0.00 54.91 53.76 2qy6 h ALA 106 Cb -0.06 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 17.19 2qy6 h ALA 106 CO -0.07 1.17 -0.93 0.72 0.00 0.00 0.00 179.25 180.14 2qy6 n HIS 107 N -3.33 1.83 0.31 0.00 8.25 0.35 -4.95 115.22 117.68 2qy6 n HIS 107 Ca -0.00 -3.89 0.18 0.00 -0.26 0.00 0.00 57.72 53.75 2qy6 n HIS 107 Cb 0.91 -0.45 1.02 0.00 1.12 0.00 0.00 29.99 32.59 2qy6 n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qy6 h PRO 108 N 3.24 0.00 -0.34 -0.41 0.13 -1.53 -2.66 132.00 130.43 2qy6 h PRO 108 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2qy6 h PRO 108 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2qy6 h PRO 108 CO 0.64 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.45 2qy6 n GLN 109 N -3.60 3.18 -1.39 0.86 6.02 -1.26 -4.98 117.38 116.21 2qy6 n GLN 109 Ca -0.03 -2.73 -0.32 0.00 -0.01 0.00 0.00 57.00 53.91 2qy6 n GLN 109 Cb 0.08 -1.78 0.08 0.00 1.02 0.00 0.00 30.24 29.64 2qy6 n GLN 109 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qy6 s ALA 110 N -2.39 2.25 0.24 -1.58 0.00 -1.01 -4.94 121.76 114.33 2qy6 s ALA 110 Ca 0.40 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 2qy6 s ALA 110 Cb 0.31 -3.32 0.33 0.00 0.00 0.00 0.00 23.12 20.43 2qy6 s ALA 110 CO 0.12 -1.70 1.86 0.37 0.00 0.00 0.00 175.76 176.41 2qy6 h GLN 111 N -0.74 0.99 -6.25 0.00 4.15 -1.88 -3.41 115.11 107.97 2qy6 h GLN 111 Ca -0.45 -0.06 -0.57 0.00 0.77 0.00 0.00 58.65 58.35 2qy6 h GLN 111 Cb 1.24 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 28.68 2qy6 h GLN 111 CO 0.51 0.65 0.99 -1.17 -1.93 0.00 0.00 178.83 177.88 2qy6 s LEU 112 N -10.19 4.05 0.00 -2.39 2.96 -1.23 -4.05 118.68 107.83 2qy6 s LEU 112 Ca -0.13 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2qy6 s LEU 112 Cb 0.18 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.34 2qy6 s LEU 112 CO 0.79 -0.97 0.00 0.00 -1.32 0.00 0.00 176.35 174.86 2qy6 n GLN 113 N 7.07 2.88 -3.99 1.98 1.13 -0.63 -5.01 117.38 120.82 2qy6 n GLN 113 Ca 0.15 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.11 2qy6 n GLN 113 Cb 0.45 -0.73 -0.12 0.00 0.11 0.00 0.00 30.24 29.96 2qy6 n GLN 113 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2qy6 s ARG 114 N -1.36 0.31 -0.05 -1.09 0.52 -0.64 -4.88 118.95 111.76 2qy6 s ARG 114 Ca 0.00 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2qy6 s ARG 114 Cb 0.00 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.47 2qy6 s ARG 114 CO 0.00 -0.02 -0.21 -1.17 0.02 0.00 0.00 175.30 173.92 2qy6 s LEU 115 N -1.25 1.99 -0.10 2.53 2.96 0.13 -1.54 118.68 123.40 2qy6 s LEU 115 Ca -0.12 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2qy6 s LEU 115 Cb -0.08 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.45 2qy6 s LEU 115 CO -0.01 0.19 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.79 2qy6 s HIS 116 N -0.01 1.89 -0.12 5.38 5.65 -0.56 -1.33 115.29 126.18 2qy6 s HIS 116 Ca -0.05 -0.85 0.03 0.00 0.25 0.00 0.00 55.06 54.44 2qy6 s HIS 116 Cb -0.13 -1.36 0.00 0.00 -1.18 0.00 0.00 32.58 29.91 2qy6 s HIS 116 CO 0.03 -0.44 -0.21 0.12 -0.65 0.00 0.00 174.74 173.59 2qy6 s PHE 117 N 0.91 2.64 -0.14 3.88 5.36 0.72 -1.33 117.98 130.03 2qy6 s PHE 117 Ca -0.08 -1.09 0.02 0.00 -0.96 0.00 0.00 56.93 54.81 2qy6 s PHE 117 Cb -0.15 -1.77 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 2qy6 s PHE 117 CO -0.00 -0.46 -0.19 0.42 -1.46 0.00 0.00 175.22 173.53 2qy6 s ILE 118 N 0.53 1.86 0.07 3.12 1.01 0.57 -0.56 121.20 127.80 2qy6 s ILE 118 Ca -0.13 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2qy6 s ILE 118 Cb -0.17 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2qy6 s ILE 118 CO 0.05 0.51 -0.05 -0.55 0.00 0.00 0.00 174.94 174.89 2qy6 s SER 119 N 0.99 0.83 0.01 3.58 0.15 -0.24 0.21 113.70 119.23 2qy6 s SER 119 Ca -0.04 -0.90 0.06 0.00 0.70 0.00 0.00 55.95 55.77 2qy6 s SER 119 Cb -0.15 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 2qy6 s SER 119 CO -0.04 -0.45 -0.19 -0.36 1.20 0.00 0.00 173.24 173.40 2qy6 s PHE 120 N -3.20 1.68 -0.18 3.44 0.08 -1.12 -0.62 117.98 118.06 2qy6 s PHE 120 Ca 0.05 -0.34 -0.06 0.00 0.12 0.00 0.00 56.93 56.69 2qy6 s PHE 120 Cb 0.03 -1.04 0.08 0.00 -0.57 0.00 0.00 43.02 41.51 2qy6 s PHE 120 CO -0.05 0.02 0.37 -2.00 -0.10 0.00 0.00 175.22 173.46 2qy6 s GLU 121 N -0.77 0.28 0.07 0.44 2.56 0.17 -1.53 118.70 119.91 2qy6 s GLU 121 Ca 0.07 0.93 -0.07 0.00 0.00 0.00 0.00 54.97 55.90 2qy6 s GLU 121 Cb -0.08 0.20 -0.28 0.00 2.00 0.00 0.00 34.13 35.97 2qy6 s GLU 121 CO 0.00 -0.25 1.13 -0.22 -0.56 0.00 0.00 175.26 175.36 2qy6 h LYS 122 N 8.10 0.34 -3.14 4.30 1.63 -1.79 -2.29 116.57 123.72 2qy6 h LYS 122 Ca -0.17 -0.56 -0.62 0.00 -0.85 0.00 0.00 60.65 58.44 2qy6 h LYS 122 Cb 1.12 0.21 -0.42 0.00 -0.60 0.00 0.00 32.23 32.53 2qy6 h LYS 122 CO 0.14 1.26 -0.59 -0.06 -3.45 0.00 0.00 179.45 176.76 2qy6 s PHE 123 N -2.70 3.48 0.40 1.91 0.08 -1.26 -4.33 117.98 115.56 2qy6 s PHE 123 Ca -0.05 -3.30 -0.25 0.00 0.12 0.00 0.00 56.93 53.44 2qy6 s PHE 123 Cb 0.07 -2.72 -0.08 0.00 -0.57 0.00 0.00 43.02 39.71 2qy6 s PHE 123 CO 0.90 -0.59 1.20 -1.25 -0.10 0.00 0.00 175.22 175.38 2qy6 s PRO 124 N -1.20 4.03 0.49 0.24 0.04 -1.26 -3.81 135.00 133.53 2qy6 s PRO 124 Ca 0.23 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.97 2qy6 s PRO 124 Cb -0.09 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 2qy6 s PRO 124 CO -0.13 -0.36 1.20 -0.51 0.04 0.00 0.00 177.00 177.23 2qy6 s LEU 125 N -2.47 3.95 0.81 -3.56 1.02 -1.26 -0.12 118.68 117.05 2qy6 s LEU 125 Ca 0.57 2.37 -0.11 0.00 0.02 0.00 0.00 54.13 56.99 2qy6 s LEU 125 Cb -0.33 -4.29 0.08 0.00 0.02 0.00 0.00 46.19 41.68 2qy6 s LEU 125 CO 0.41 -1.08 1.10 0.42 0.02 0.00 0.00 176.35 177.23 2qy6 s THR 126 N -1.52 3.04 0.33 5.49 -4.23 -1.26 -4.85 115.64 112.63 2qy6 s THR 126 Ca 0.66 0.34 0.06 0.00 -1.18 0.00 0.00 61.69 61.56 2qy6 s THR 126 Cb -0.30 -2.74 0.11 0.00 1.34 0.00 0.00 72.50 70.91 2qy6 s THR 126 CO 0.36 -0.44 1.81 -0.09 -0.54 0.00 0.00 174.62 175.72 2qy6 h ARG 127 N -1.31 0.39 0.11 3.99 2.43 -1.96 0.49 114.38 118.52 2qy6 h ARG 127 Ca -0.44 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 2qy6 h ARG 127 Cb 1.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2qy6 h ARG 127 CO 0.50 0.56 -0.05 0.00 -1.51 0.00 0.00 179.97 179.46 2qy6 h ALA 128 N 1.46 -0.15 -0.75 2.80 0.00 -2.00 -1.89 119.26 118.73 2qy6 h ALA 128 Ca 0.06 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2qy6 h ALA 128 Cb 0.52 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2qy6 h ALA 128 CO 0.03 -0.40 0.43 -0.44 0.00 0.00 0.00 179.25 178.87 2qy6 h ASP 129 N -0.53 0.63 -0.45 0.00 3.32 -1.90 -2.04 116.42 115.45 2qy6 h ASP 129 Ca -0.02 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.14 2qy6 h ASP 129 Cb 0.42 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 2qy6 h ASP 129 CO 0.03 0.38 0.12 0.25 -1.72 0.00 0.00 179.24 178.30 2qy6 h LEU 130 N 0.76 0.09 -1.06 1.55 5.85 -0.84 -0.30 115.31 121.35 2qy6 h LEU 130 Ca 0.35 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 59.09 2qy6 h LEU 130 Cb 0.26 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2qy6 h LEU 130 CO -0.21 0.08 0.15 0.00 -0.34 0.00 0.00 178.44 178.12 2qy6 h ALA 131 N 1.32 1.24 -0.05 1.25 0.00 -0.73 -1.99 119.26 120.31 2qy6 h ALA 131 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qy6 h ALA 131 Cb 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qy6 h ALA 131 CO -0.25 0.53 -0.03 -0.07 0.00 0.00 0.00 179.25 179.43 2qy6 h LEU 132 N 0.80 0.11 -0.50 0.00 3.38 -1.03 -2.74 115.31 115.33 2qy6 h LEU 132 Ca 0.18 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.81 2qy6 h LEU 132 Cb 0.26 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 2qy6 h LEU 132 CO -0.01 0.52 -0.04 0.00 0.09 0.00 0.00 178.44 179.01 2qy6 h ALA 133 N 0.59 0.43 0.00 1.53 0.00 -0.85 -2.09 119.26 118.86 2qy6 h ALA 133 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qy6 h ALA 133 Cb 0.48 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qy6 h ALA 133 CO 0.01 -0.41 -0.04 0.45 0.00 0.00 0.00 179.25 179.27 2qy6 h HIS 134 N 0.08 0.00 0.00 0.00 3.86 -1.28 -2.31 115.15 115.50 2qy6 h HIS 134 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2qy6 h HIS 134 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 2qy6 h HIS 134 CO -0.35 0.04 0.00 1.96 0.86 0.00 0.00 177.93 180.44 2qy6 h GLN 135 N 0.00 0.00 0.00 2.45 4.20 -1.07 -0.95 115.11 119.74 2qy6 h GLN 135 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2qy6 h GLN 135 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2qy6 h GLN 135 CO 0.00 0.00 -0.05 0.45 -0.67 0.00 0.00 178.83 178.57 2qy6 h HIS 136 N 0.00 0.00 -2.61 2.96 3.86 -1.54 -3.37 115.15 114.45 2qy6 h HIS 136 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 2qy6 h HIS 136 Cb 0.05 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.12 2qy6 h HIS 136 CO 0.00 0.05 -0.80 0.91 0.86 0.00 0.00 177.93 178.95 2qy6 n TRP 137 N -3.21 1.11 -0.09 2.45 7.02 -0.36 -4.96 117.44 119.39 2qy6 n TRP 137 Ca -0.01 -3.79 0.11 0.00 -1.02 0.00 0.00 57.50 52.79 2qy6 n TRP 137 Cb 0.26 -0.20 0.48 0.00 -2.42 0.00 0.00 31.31 29.43 2qy6 n TRP 137 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 2qy6 h PRO 138 N 5.29 0.44 -1.16 -0.99 0.11 -1.77 0.10 132.00 134.03 2qy6 h PRO 138 Ca 0.20 -0.03 0.33 0.00 0.11 0.00 0.00 66.00 66.61 2qy6 h PRO 138 Cb 0.83 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.77 2qy6 h PRO 138 CO 0.55 0.29 0.81 1.49 -0.21 0.00 0.00 178.00 180.93 2qy6 h GLU 139 N 0.46 0.10 -0.01 1.05 4.81 -1.95 -2.60 114.58 116.43 2qy6 h GLU 139 Ca 0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2qy6 h GLU 139 Cb 0.49 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2qy6 h GLU 139 CO -0.08 0.06 -0.48 1.28 -0.73 0.00 0.00 179.01 179.07 2qy6 n LEU 140 N -4.31 1.65 -0.30 1.64 4.77 0.02 -4.61 117.00 115.86 2qy6 n LEU 140 Ca 0.26 -0.59 0.12 0.00 -0.03 0.00 0.00 56.01 55.76 2qy6 n LEU 140 Cb 1.17 -0.04 0.28 0.00 -2.33 0.00 0.00 43.42 42.50 2qy6 n LEU 140 CO 0.36 0.31 1.03 0.00 -1.33 0.00 0.00 177.39 177.77 2qy6 h ALA 141 N 3.73 1.35 -0.97 -1.18 0.00 -1.46 0.11 119.26 120.84 2qy6 h ALA 141 Ca 0.00 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.21 2qy6 h ALA 141 Cb 0.66 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2qy6 h ALA 141 CO 0.00 -0.32 0.59 -1.35 0.00 0.00 0.00 179.25 178.17 2qy6 h PRO 142 N 0.40 0.85 0.16 0.00 0.11 -1.83 -0.35 132.00 131.33 2qy6 h PRO 142 Ca 0.53 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 66.32 2qy6 h PRO 142 Cb 0.98 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.91 2qy6 h PRO 142 CO -0.52 0.56 -1.27 -1.49 -0.21 0.00 0.00 178.00 175.07 2qy6 h TRP 143 N 0.87 0.60 -0.73 0.65 6.55 -1.48 -3.33 115.95 119.08 2qy6 h TRP 143 Ca 0.51 -0.44 0.13 0.00 0.95 0.00 0.00 58.89 60.05 2qy6 h TRP 143 Cb 0.61 -0.02 -0.09 0.00 -0.86 0.00 0.00 29.16 28.79 2qy6 h TRP 143 CO -0.02 1.49 0.28 0.00 -1.05 0.00 0.00 178.44 179.15 2qy6 h ALA 144 N 0.04 1.01 -0.16 1.49 0.00 -0.91 -1.92 119.26 118.81 2qy6 h ALA 144 Ca -0.25 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2qy6 h ALA 144 Cb 1.83 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2qy6 h ALA 144 CO 0.14 -0.21 -0.19 0.93 0.00 0.00 0.00 179.25 179.92 2qy6 h GLU 145 N 0.43 0.28 -0.48 0.00 5.08 -1.18 -0.69 114.58 118.01 2qy6 h GLU 145 Ca 0.40 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2qy6 h GLU 145 Cb 0.59 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2qy6 h GLU 145 CO -0.39 0.47 0.03 1.96 -1.00 0.00 0.00 179.01 180.08 2qy6 h GLN 146 N 0.26 0.82 -0.62 2.33 4.20 -1.47 -2.06 115.11 118.58 2qy6 h GLN 146 Ca 0.05 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 2qy6 h GLN 146 Cb 0.49 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2qy6 h GLN 146 CO 0.03 0.85 0.21 1.25 -0.67 0.00 0.00 178.83 180.51 2qy6 h LEU 147 N 0.68 0.88 -0.69 1.46 5.85 -0.89 -2.99 115.31 119.61 2qy6 h LEU 147 Ca 0.14 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2qy6 h LEU 147 Cb 0.46 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2qy6 h LEU 147 CO 0.02 0.84 0.42 1.56 -0.34 0.00 0.00 178.44 180.94 2qy6 h GLN 148 N 0.87 0.94 -0.54 1.25 4.20 -1.07 -1.99 115.11 118.77 2qy6 h GLN 148 Ca 0.20 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.84 2qy6 h GLN 148 Cb 0.26 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2qy6 h GLN 148 CO -0.01 0.66 0.36 0.00 -0.67 0.00 0.00 178.83 179.17 2qy6 h ALA 149 N 1.22 1.63 -0.46 3.87 0.00 -1.25 -2.76 119.26 121.50 2qy6 h ALA 149 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qy6 h ALA 149 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2qy6 h ALA 149 CO -0.05 0.35 0.00 1.04 0.00 0.00 0.00 179.25 180.59 2qy6 n GLN 150 N -4.46 3.81 -2.02 0.00 6.02 -1.04 -5.01 117.38 114.68 2qy6 n GLN 150 Ca 0.05 -2.91 -0.42 0.00 -0.01 0.00 0.00 57.00 53.70 2qy6 n GLN 150 Cb 0.05 -1.97 -0.03 0.00 1.02 0.00 0.00 30.24 29.32 2qy6 n GLN 150 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2qy6 s TRP 151 N -2.47 1.99 0.72 1.08 -0.11 -0.78 -4.94 118.94 114.44 2qy6 s TRP 151 Ca 0.47 0.25 -0.11 0.00 1.22 0.00 0.00 56.10 57.93 2qy6 s TRP 151 Cb 0.35 -3.92 0.02 0.00 -1.50 0.00 0.00 33.47 28.43 2qy6 s TRP 151 CO 0.15 -3.73 1.08 -1.25 -4.62 0.00 0.00 176.95 168.59 2qy6 s PRO 152 N 4.13 2.73 0.53 5.86 0.04 -1.26 -5.03 135.00 141.99 2qy6 s PRO 152 Ca 0.73 0.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 2qy6 s PRO 152 Cb -0.32 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 2qy6 s PRO 152 CO 0.29 -1.16 1.17 -1.64 0.04 0.00 0.00 177.00 175.70 2qy6 s MET 153 N -5.23 3.40 -1.26 4.56 -1.94 -1.26 -4.91 119.30 112.66 2qy6 s MET 153 Ca 0.59 1.75 -0.18 0.00 -1.71 0.00 0.00 55.69 56.13 2qy6 s MET 153 Cb -0.12 -2.14 0.01 0.00 2.01 0.00 0.00 34.83 34.58 2qy6 s MET 153 CO 0.53 -0.84 1.91 -0.35 -0.01 0.00 0.00 175.02 176.26 2qy6 n PRO 154 N -1.07 2.62 -4.38 2.03 -0.04 -1.26 -4.88 135.00 128.03 2qy6 n PRO 154 Ca 0.11 -2.81 -0.27 0.00 -0.04 0.00 0.00 63.50 60.49 2qy6 n PRO 154 Cb 0.49 -3.43 -0.12 0.00 -0.04 0.00 0.00 33.50 30.40 2qy6 n PRO 154 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qy6 s LEU 155 N 4.76 2.36 0.33 1.53 1.43 -1.26 -4.75 118.68 123.09 2qy6 s LEU 155 Ca 0.56 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2qy6 s LEU 155 Cb 0.07 -1.11 -0.11 0.00 0.03 0.00 0.00 46.19 45.07 2qy6 s LEU 155 CO 0.06 0.12 1.53 -2.84 0.23 0.00 0.00 176.35 175.45 2qy6 s PRO 156 N -2.27 4.12 0.00 1.29 0.02 -1.26 -4.56 135.00 132.34 2qy6 s PRO 156 Ca 0.15 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.73 2qy6 s PRO 156 Cb -0.09 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.43 2qy6 s PRO 156 CO 0.07 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 2qy6 n GLY 157 N 1.30 -0.20 3.52 0.52 0.00 -0.78 -4.92 105.19 104.64 2qy6 n GLY 157 Ca 0.04 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 2qy6 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qy6 s HIS 159 N 1.70 3.23 -0.17 0.00 0.09 0.27 -4.94 115.29 115.46 2qy6 s HIS 159 Ca 0.06 -1.74 -0.15 0.00 -0.00 0.00 0.00 55.06 53.22 2qy6 s HIS 159 Cb -0.17 -2.12 -0.04 0.00 -0.00 0.00 0.00 32.58 30.25 2qy6 s HIS 159 CO 0.09 -0.78 0.37 0.50 -0.00 0.00 0.00 174.74 174.93 2qy6 s ARG 160 N 1.29 4.23 -0.22 1.40 3.52 -1.26 -0.72 118.95 127.19 2qy6 s ARG 160 Ca -0.04 0.20 -0.06 0.00 -0.13 0.00 0.00 55.73 55.70 2qy6 s ARG 160 Cb -0.19 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2qy6 s ARG 160 CO -0.01 0.08 0.02 -0.51 -0.81 0.00 0.00 175.30 174.08 2qy6 s LEU 161 N 0.92 3.32 -0.47 -0.88 1.02 0.92 -4.99 118.68 118.52 2qy6 s LEU 161 Ca 0.19 -0.20 -0.20 0.00 0.02 0.00 0.00 54.13 53.94 2qy6 s LEU 161 Cb -0.14 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.24 2qy6 s LEU 161 CO 0.07 0.03 0.64 -0.76 0.02 0.00 0.00 176.35 176.35 2qy6 s LEU 162 N 1.21 4.65 0.02 1.79 1.43 -1.26 -1.55 118.68 124.97 2qy6 s LEU 162 Ca 0.04 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2qy6 s LEU 162 Cb -0.15 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 2qy6 s LEU 162 CO 0.02 -0.83 -0.12 -0.76 0.23 0.00 0.00 176.35 174.90 2qy6 s LEU 163 N 2.77 2.92 0.00 1.79 1.43 -0.32 -5.05 118.68 122.23 2qy6 s LEU 163 Ca 0.20 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2qy6 s LEU 163 Cb -0.16 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2qy6 s LEU 163 CO 0.16 0.27 0.00 -0.67 0.23 0.00 0.00 176.35 176.35 2qy6 n ASP 164 N 1.58 0.00 0.00 2.29 2.03 -1.26 -2.76 116.55 118.43 2qy6 n ASP 164 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2qy6 n ASP 164 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2qy6 n ASP 164 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2qy6 n ARG 167 N 0.00 0.00 -4.10 -0.67 5.12 -1.26 -5.09 116.66 110.66 2qy6 n ARG 167 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 2qy6 n ARG 167 Cb 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.13 2qy6 n ARG 167 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qy6 s VAL 168 N -0.54 1.44 -0.07 1.55 1.01 -1.11 0.21 120.40 122.89 2qy6 s VAL 168 Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2qy6 s VAL 168 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2qy6 s VAL 168 CO 0.00 0.44 -0.21 -0.89 0.00 0.00 0.00 175.10 174.44 2qy6 s THR 169 N 1.41 2.40 -0.22 3.92 2.01 -0.44 -1.17 115.64 123.55 2qy6 s THR 169 Ca 0.02 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.10 2qy6 s THR 169 Cb -0.13 -1.92 0.04 0.00 0.01 0.00 0.00 72.50 70.50 2qy6 s THR 169 CO -0.08 0.56 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.04 2qy6 s LEU 170 N -0.10 2.74 -0.36 4.42 2.96 -0.59 -0.20 118.68 127.54 2qy6 s LEU 170 Ca -0.04 -0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 52.75 2qy6 s LEU 170 Cb -0.14 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 2qy6 s LEU 170 CO 0.04 -0.08 0.41 -1.81 -1.32 0.00 0.00 176.35 173.59 2qy6 s ASP 171 N 1.22 6.21 -0.37 3.68 1.01 0.28 -0.06 116.67 128.65 2qy6 s ASP 171 Ca -0.01 -0.29 -0.13 0.00 0.71 0.00 0.00 52.55 52.84 2qy6 s ASP 171 Cb -0.16 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.56 2qy6 s ASP 171 CO -0.09 -0.42 0.25 -0.76 0.21 0.00 0.00 175.17 174.35 2qy6 s LEU 172 N 2.13 4.75 -0.28 1.23 1.43 0.10 -1.08 118.68 126.95 2qy6 s LEU 172 Ca 0.13 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 2qy6 s LEU 172 Cb -0.16 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2qy6 s LEU 172 CO 0.12 -0.35 0.31 0.26 0.23 0.00 0.00 176.35 176.93 2qy6 s TRP 173 N 1.66 3.23 -0.16 0.29 0.52 0.21 -0.57 118.94 124.12 2qy6 s TRP 173 Ca 0.05 0.26 -0.08 0.00 0.02 0.00 0.00 56.10 56.35 2qy6 s TRP 173 Cb -0.18 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 2qy6 s TRP 173 CO 0.09 -0.24 0.11 -0.06 0.02 0.00 0.00 176.95 176.87 2qy6 s PHE 174 N 1.97 3.41 -2.23 -1.98 0.08 -0.26 -0.66 117.98 118.31 2qy6 s PHE 174 Ca 0.12 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.49 2qy6 s PHE 174 Cb -0.16 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 2qy6 s PHE 174 CO 0.10 0.40 0.00 0.41 -0.10 0.00 0.00 175.22 176.04 2qy6 n GLY 175 N 2.97 0.63 3.66 4.36 0.00 -0.86 -1.86 105.19 114.09 2qy6 n GLY 175 Ca -0.18 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 2qy6 n GLY 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qy6 s ASP 176 N -4.00 6.31 0.25 1.61 3.68 -1.26 -2.72 116.67 120.54 2qy6 s ASP 176 Ca 0.00 0.35 -0.05 0.00 2.13 0.00 0.00 52.55 54.99 2qy6 s ASP 176 Cb 0.00 -2.19 0.29 0.00 -1.45 0.00 0.00 42.92 39.58 2qy6 s ASP 176 CO 0.00 -0.04 1.86 -0.29 0.13 0.00 0.00 175.17 176.83 2qy6 h ILE 177 N 5.06 1.24 -0.94 4.11 2.10 -1.95 0.29 117.51 127.42 2qy6 h ILE 177 Ca -0.36 -0.66 0.02 0.00 1.08 0.00 0.00 64.86 64.94 2qy6 h ILE 177 Cb 1.16 0.21 -0.05 0.00 -1.09 0.00 0.00 36.82 37.06 2qy6 h ILE 177 CO 0.69 0.28 0.62 0.78 -1.08 0.00 0.00 178.15 179.44 2qy6 h ASN 178 N 1.12 1.07 1.33 2.19 2.35 -1.93 0.22 115.58 121.92 2qy6 h ASN 178 Ca 0.27 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 2qy6 h ASN 178 Cb 0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2qy6 h ASN 178 CO -0.04 0.76 -0.62 -0.33 -1.65 0.00 0.00 177.43 175.56 2qy6 h GLU 179 N 1.25 0.00 0.06 0.81 4.39 -1.78 -3.39 114.58 115.93 2qy6 h GLU 179 Ca 0.35 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.97 2qy6 h GLU 179 Cb -0.10 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2qy6 h GLU 179 CO -0.09 0.62 -0.38 -0.07 -1.16 0.00 0.00 179.01 177.93 2qy6 h LEU 180 N 0.00 0.22 -1.70 1.33 3.38 0.30 -3.38 115.31 115.46 2qy6 h LEU 180 Ca -0.01 -0.97 0.48 0.00 0.09 0.00 0.00 57.88 57.47 2qy6 h LEU 180 Cb 1.45 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 2qy6 h LEU 180 CO 0.08 1.18 1.07 -0.29 0.09 0.00 0.00 178.44 180.57 2qy6 h ILE 181 N -0.70 0.11 -0.08 1.22 6.09 -0.79 0.62 117.51 123.99 2qy6 h ILE 181 Ca -0.07 -0.01 0.02 0.00 -1.37 0.00 0.00 64.86 63.43 2qy6 h ILE 181 Cb 1.30 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.65 2qy6 h ILE 181 CO 0.07 0.01 0.07 0.77 -3.07 0.00 0.00 178.15 176.00 2qy6 h SER 182 N 0.04 0.00 0.44 2.19 4.64 -1.81 -2.13 113.55 116.91 2qy6 h SER 182 Ca 0.84 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 62.13 2qy6 h SER 182 Cb 2.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 65.08 2qy6 h SER 182 CO -0.22 0.00 -0.14 -0.61 -0.87 0.00 0.00 176.83 174.99 2qy6 h GLN 183 N 0.00 0.00 -5.56 4.77 5.75 0.01 -3.18 115.11 116.90 2qy6 h GLN 183 Ca 0.04 0.00 -0.69 0.00 -0.15 0.00 0.00 58.65 57.85 2qy6 h GLN 183 Cb 0.17 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.64 2qy6 h GLN 183 CO -0.00 0.14 2.22 1.28 -2.65 0.00 0.00 178.83 179.82 2qy6 n LEU 184 N -3.63 5.17 0.00 -2.39 4.32 -0.80 -4.98 117.00 114.69 2qy6 n LEU 184 Ca -0.02 -3.99 -0.07 0.00 -0.02 0.00 0.00 56.01 51.91 2qy6 n LEU 184 Cb 0.27 -1.73 0.06 0.00 -1.62 0.00 0.00 43.42 40.39 2qy6 n LEU 184 CO 0.31 0.30 0.13 -0.90 -1.22 0.00 0.00 177.39 176.01 2qy6 n ASP 185 N 7.90 -1.27 0.00 -1.43 3.85 -1.20 -4.75 116.55 119.65 2qy6 n ASP 185 Ca 0.48 -0.64 0.02 0.00 -0.71 0.00 0.00 54.79 53.95 2qy6 n ASP 185 Cb 0.45 -0.22 0.09 0.00 -1.35 0.00 0.00 41.12 40.09 2qy6 n ASP 185 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2qy6 n ASP 186 N -3.41 0.00 0.20 -1.12 8.00 -1.26 -1.46 116.55 117.50 2qy6 n ASP 186 Ca 0.03 0.43 0.08 0.00 0.71 0.00 0.00 54.79 56.04 2qy6 n ASP 186 Cb 0.13 -0.44 0.34 0.00 -0.02 0.00 0.00 41.12 41.12 2qy6 n ASP 186 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2qy6 h SER 187 N 0.00 0.00 -0.25 -2.24 4.64 -1.98 -2.88 113.55 110.84 2qy6 h SER 187 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qy6 h SER 187 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2qy6 h SER 187 CO 0.00 0.27 0.00 0.18 -0.87 0.00 0.00 176.83 176.41 2qy6 n LEU 188 N -3.33 2.30 -4.77 5.97 4.32 -0.54 -4.96 117.00 115.99 2qy6 n LEU 188 Ca 0.01 -0.98 -0.41 0.00 -0.02 0.00 0.00 56.01 54.61 2qy6 n LEU 188 Cb 0.51 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.14 2qy6 n LEU 188 CO 0.35 0.49 1.19 0.20 -1.22 0.00 0.00 177.39 178.40 2qy6 s ASN 189 N -1.52 6.33 -1.65 -1.43 -0.87 -1.09 -2.23 114.94 112.48 2qy6 s ASN 189 Ca 0.34 3.03 -0.03 0.00 -1.57 0.00 0.00 52.86 54.63 2qy6 s ASN 189 Cb 0.19 -2.66 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 2qy6 s ASN 189 CO 0.28 -0.91 0.36 0.00 -2.57 0.00 0.00 177.10 174.26 2qy6 n GLN 190 N 1.17 -3.61 0.00 -0.60 6.02 -0.82 -4.89 117.38 114.65 2qy6 n GLN 190 Ca 0.04 0.95 0.01 0.00 -0.01 0.00 0.00 57.00 57.99 2qy6 n GLN 190 Cb 0.38 -5.73 0.01 0.00 1.02 0.00 0.00 30.24 25.91 2qy6 n GLN 190 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2qy6 n LYS 191 N -3.63 -0.72 -3.38 -1.09 5.02 -0.29 -4.06 118.16 110.01 2qy6 n LYS 191 Ca -0.17 -0.58 -0.40 0.00 -2.02 0.00 0.00 58.31 55.15 2qy6 n LYS 191 Cb 0.65 -1.02 -0.09 0.00 -0.02 0.00 0.00 35.03 34.55 2qy6 n LYS 191 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qy6 s VAL 192 N -0.13 5.15 0.08 -0.18 1.01 -0.41 -4.63 120.40 121.30 2qy6 s VAL 192 Ca 0.02 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 2qy6 s VAL 192 Cb 0.01 -3.79 -0.23 0.00 0.00 0.00 0.00 36.38 32.37 2qy6 s VAL 192 CO 0.02 -0.01 1.21 0.44 0.00 0.00 0.00 175.10 176.75 2qy6 h ASP 193 N 8.36 0.83 -4.15 3.32 3.32 -1.40 -0.26 116.42 126.43 2qy6 h ASP 193 Ca -0.30 -0.67 -0.19 0.00 0.02 0.00 0.00 57.03 55.88 2qy6 h ASP 193 Cb 1.15 -0.25 -0.25 0.00 0.22 0.00 0.00 39.33 40.19 2qy6 h ASP 193 CO 0.68 1.48 -0.60 0.00 -1.72 0.00 0.00 179.24 179.08 2qy6 s ALA 194 N -3.27 -0.21 -0.18 3.45 0.00 -1.09 -0.83 121.76 119.63 2qy6 s ALA 194 Ca -0.09 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 2qy6 s ALA 194 Cb 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2qy6 s ALA 194 CO 0.91 -0.09 0.03 -1.58 0.00 0.00 0.00 175.76 175.03 2qy6 s TRP 195 N -0.42 3.16 -0.62 0.00 0.52 0.43 -1.92 118.94 120.10 2qy6 s TRP 195 Ca -0.05 -0.10 -0.18 0.00 0.02 0.00 0.00 56.10 55.79 2qy6 s TRP 195 Cb -0.03 -2.06 0.12 0.00 -1.15 0.00 0.00 33.47 30.35 2qy6 s TRP 195 CO 0.00 0.04 0.69 -0.06 0.02 0.00 0.00 176.95 177.64 2qy6 s PHE 196 N 0.51 3.11 -1.04 -1.98 0.40 -0.15 -1.70 117.98 117.14 2qy6 s PHE 196 Ca 0.01 -1.13 -0.20 0.00 -0.60 0.00 0.00 56.93 55.01 2qy6 s PHE 196 Cb -0.13 -3.97 0.09 0.00 0.51 0.00 0.00 43.02 39.52 2qy6 s PHE 196 CO 0.01 -1.23 1.37 -1.17 0.70 0.00 0.00 175.22 174.90 2qy6 s LEU 197 N 2.27 4.23 0.00 -0.37 2.96 -0.72 -1.12 118.68 125.94 2qy6 s LEU 197 Ca 0.11 -1.92 0.01 0.00 -0.22 0.00 0.00 54.13 52.12 2qy6 s LEU 197 Cb -0.23 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 43.96 2qy6 s LEU 197 CO 0.04 -1.24 0.04 -0.67 -1.32 0.00 0.00 176.35 173.20 2qy6 n ASP 198 N 7.70 0.99 0.00 3.68 2.03 -1.26 -4.25 116.55 125.45 2qy6 n ASP 198 Ca 0.32 -1.61 0.00 0.00 0.52 0.00 0.00 54.79 54.02 2qy6 n ASP 198 Cb 0.49 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 2qy6 n ASP 198 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qy6 n GLY 199 N 1.43 0.10 3.85 0.27 0.00 -1.26 -3.36 105.19 106.22 2qy6 n GLY 199 Ca -0.02 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 2qy6 n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qy6 s PHE 200 N 0.00 3.42 0.52 1.61 0.08 -1.26 -5.00 117.98 117.35 2qy6 s PHE 200 Ca 0.00 1.29 -0.20 0.00 0.12 0.00 0.00 56.93 58.14 2qy6 s PHE 200 Cb 0.00 -2.63 -0.09 0.00 -0.57 0.00 0.00 43.02 39.74 2qy6 s PHE 200 CO 0.00 -0.16 0.75 0.00 -0.10 0.00 0.00 175.22 175.71 2qy6 n ALA 201 N -1.13 -0.57 -0.34 5.36 0.00 -1.26 -4.47 120.51 118.10 2qy6 n ALA 201 Ca 0.05 0.07 0.19 0.00 0.00 0.00 0.00 53.44 53.75 2qy6 n ALA 201 Cb 0.54 -1.95 0.43 0.00 0.00 0.00 0.00 19.45 18.47 2qy6 n ALA 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qy6 h PRO 202 N 0.69 0.51 0.00 0.00 0.11 -1.95 0.48 132.00 131.85 2qy6 h PRO 202 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2qy6 h PRO 202 Cb 1.38 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2qy6 h PRO 202 CO 0.51 0.34 -0.08 0.00 -0.21 0.00 0.00 178.00 178.56 2qy6 h ALA 203 N 1.68 1.01 0.06 -0.75 0.00 -1.97 -2.29 119.26 116.99 2qy6 h ALA 203 Ca 0.62 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 55.08 2qy6 h ALA 203 Cb 1.30 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2qy6 h ALA 203 CO -0.39 0.10 -2.21 1.63 0.00 0.00 0.00 179.25 178.38 2qy6 n LYS 204 N -3.20 0.70 -3.42 0.00 4.76 0.13 -4.65 118.16 112.49 2qy6 n LYS 204 Ca 0.01 0.20 -0.26 0.00 -2.87 0.00 0.00 58.31 55.38 2qy6 n LYS 204 Cb 0.36 -1.62 -0.09 0.00 -1.84 0.00 0.00 35.03 31.84 2qy6 n LYS 204 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qy6 n ASN 205 N -3.32 1.41 0.22 4.39 5.15 0.63 -4.87 115.26 118.87 2qy6 n ASN 205 Ca -0.37 -2.90 0.06 0.00 -0.60 0.00 0.00 54.58 50.78 2qy6 n ASN 205 Cb 1.03 -0.65 0.56 0.00 -0.53 0.00 0.00 39.78 40.20 2qy6 n ASN 205 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qy6 h PRO 206 N 4.67 0.06 -0.89 1.20 0.13 -1.63 -3.00 132.00 132.54 2qy6 h PRO 206 Ca 0.16 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.38 2qy6 h PRO 206 Cb 0.81 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.86 2qy6 h PRO 206 CO 0.58 0.11 0.58 -0.44 -0.23 0.00 0.00 178.00 178.59 2qy6 h ASP 207 N 0.06 0.81 -0.78 1.44 5.19 -1.94 -2.70 116.42 118.51 2qy6 h ASP 207 Ca 0.02 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2qy6 h ASP 207 Cb 0.11 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 2qy6 h ASP 207 CO 0.01 0.48 0.44 -0.03 -3.12 0.00 0.00 179.24 177.01 2qy6 h MET 208 N 0.89 1.08 -3.31 3.56 4.05 -1.93 -3.40 114.93 115.88 2qy6 h MET 208 Ca 0.41 -0.11 -0.73 0.00 -0.28 0.00 0.00 59.70 58.99 2qy6 h MET 208 Cb 0.39 -0.22 -0.10 0.00 -0.80 0.00 0.00 31.60 30.88 2qy6 h MET 208 CO -0.17 0.79 2.63 0.91 0.23 0.00 0.00 176.91 181.29 2qy6 n TRP 209 N -4.36 2.89 -4.12 1.39 7.02 -1.02 -4.82 117.44 114.42 2qy6 n TRP 209 Ca 0.08 -2.88 -0.22 0.00 -1.02 0.00 0.00 57.50 53.46 2qy6 n TRP 209 Cb 0.09 -2.13 -0.05 0.00 -2.42 0.00 0.00 31.31 26.80 2qy6 n TRP 209 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2qy6 s THR 210 N 0.86 3.90 0.27 -0.99 -4.23 -1.26 -5.01 115.64 109.17 2qy6 s THR 210 Ca 0.49 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2qy6 s THR 210 Cb 0.14 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 71.05 2qy6 s THR 210 CO -0.05 -0.31 1.93 -0.61 -0.54 0.00 0.00 174.62 175.04 2qy6 h GLN 211 N 1.57 1.16 -0.34 3.99 5.75 -1.96 -1.16 115.11 124.12 2qy6 h GLN 211 Ca -0.46 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.02 2qy6 h GLN 211 Cb 1.25 -0.25 -0.08 0.00 1.07 0.00 0.00 27.48 29.47 2qy6 h GLN 211 CO 0.61 0.80 -0.17 -0.97 -2.65 0.00 0.00 178.83 176.44 2qy6 h ASN 212 N 1.18 -0.57 0.19 -0.69 -1.24 -1.97 0.23 115.58 112.72 2qy6 h ASN 212 Ca 0.31 0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.45 2qy6 h ASN 212 Cb -0.08 0.31 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 2qy6 h ASN 212 CO -0.06 -0.21 -0.11 0.25 -1.29 0.00 0.00 177.43 176.02 2qy6 h LEU 213 N -0.12 -0.26 -0.74 0.34 5.85 -1.79 -1.53 115.31 117.06 2qy6 h LEU 213 Ca 0.17 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2qy6 h LEU 213 Cb 0.38 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2qy6 h LEU 213 CO -0.41 -0.18 0.39 -0.26 -0.34 0.00 0.00 178.44 177.64 2qy6 h PHE 214 N -0.29 0.70 -0.63 1.25 0.04 -0.72 0.51 116.94 117.81 2qy6 h PHE 214 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 2qy6 h PHE 214 Cb 0.23 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 2qy6 h PHE 214 CO -0.08 0.28 0.24 -0.91 -0.60 0.00 0.00 178.31 177.24 2qy6 h ASN 215 N 0.67 0.89 -0.49 2.17 2.35 -0.44 -1.47 115.58 119.26 2qy6 h ASN 215 Ca 0.36 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 2qy6 h ASN 215 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2qy6 h ASN 215 CO -0.25 0.83 -0.14 0.00 -1.65 0.00 0.00 177.43 176.21 2qy6 h ALA 216 N 1.09 0.67 -0.59 -0.83 0.00 -0.61 -2.10 119.26 116.90 2qy6 h ALA 216 Ca 0.21 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2qy6 h ALA 216 Cb 0.23 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2qy6 h ALA 216 CO -0.01 0.61 0.22 0.52 0.00 0.00 0.00 179.25 180.58 2qy6 h MET 217 N 0.81 0.40 -0.72 0.00 2.86 -0.69 -1.20 114.93 116.39 2qy6 h MET 217 Ca 0.12 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2qy6 h MET 217 Cb 0.71 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 2qy6 h MET 217 CO 0.05 0.26 0.25 0.00 1.06 0.00 0.00 176.91 178.53 2qy6 h ALA 218 N 1.40 0.94 -0.02 6.32 0.00 -0.90 -1.83 119.26 125.17 2qy6 h ALA 218 Ca 0.29 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2qy6 h ALA 218 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qy6 h ALA 218 CO -0.29 0.60 -0.72 0.07 0.00 0.00 0.00 179.25 178.91 2qy6 h ARG 219 N 1.05 0.10 0.00 0.00 0.11 -0.99 -3.19 114.38 111.46 2qy6 h ARG 219 Ca 0.24 -0.09 -0.08 0.00 0.10 0.00 0.00 59.98 60.15 2qy6 h ARG 219 Cb 0.27 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 2qy6 h ARG 219 CO -0.01 0.78 -0.37 -0.07 0.10 0.00 0.00 179.97 180.39 2qy6 h LEU 220 N 0.07 0.00 -9.76 0.08 3.38 -1.06 -2.18 115.31 105.85 2qy6 h LEU 220 Ca -0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 2qy6 h LEU 220 Cb 1.27 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.09 2qy6 h LEU 220 CO 0.10 0.37 0.87 0.00 0.09 0.00 0.00 178.44 179.88 2qy6 s ALA 221 N -3.66 3.75 0.35 1.53 0.00 -0.70 -1.14 121.76 121.89 2qy6 s ALA 221 Ca -0.00 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 2qy6 s ALA 221 Cb 0.11 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 2qy6 s ALA 221 CO 0.69 -0.90 1.20 0.50 0.00 0.00 0.00 175.76 177.24 2qy6 s ARG 222 N -0.13 4.29 0.22 0.00 3.52 -0.11 -3.68 118.95 123.06 2qy6 s ARG 222 Ca 0.64 1.96 -0.32 0.00 -0.13 0.00 0.00 55.73 57.88 2qy6 s ARG 222 Cb -0.46 -2.93 -0.13 0.00 -1.56 0.00 0.00 34.95 29.87 2qy6 s ARG 222 CO 0.43 -0.15 1.48 -2.30 -0.81 0.00 0.00 175.30 173.96 2qy6 n PRO 223 N 0.58 2.15 -0.97 5.12 -0.02 -1.26 0.40 135.00 140.99 2qy6 n PRO 223 Ca 0.02 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2qy6 n PRO 223 Cb 0.44 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2qy6 n PRO 223 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qy6 n GLY 224 N 2.52 0.88 3.85 -1.23 0.00 0.63 -5.02 105.19 106.82 2qy6 n GLY 224 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2qy6 n GLY 224 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qy6 s GLY 225 N -1.98 1.73 0.31 -0.02 0.00 0.16 -4.76 107.32 102.77 2qy6 s GLY 225 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 44.72 44.82 2qy6 s GLY 225 CO 0.00 0.30 -0.10 -0.51 0.00 0.00 0.00 173.10 172.79 2qy6 s THR 226 N -3.04 2.07 0.01 0.90 -4.23 -0.01 -1.21 115.64 110.13 2qy6 s THR 226 Ca 0.57 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2qy6 s THR 226 Cb -0.12 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 2qy6 s THR 226 CO 0.51 -0.27 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.02 2qy6 s LEU 227 N -3.54 2.09 0.05 4.79 0.20 -0.35 -0.43 118.68 121.50 2qy6 s LEU 227 Ca 0.31 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.91 2qy6 s LEU 227 Cb 0.02 -0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 45.40 2qy6 s LEU 227 CO 0.15 0.02 -0.13 0.00 -0.29 0.00 0.00 176.35 176.09 2qy6 s ALA 228 N -0.53 1.05 0.05 5.97 0.00 -0.69 -1.16 121.76 126.45 2qy6 s ALA 228 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 2qy6 s ALA 228 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2qy6 s ALA 228 CO 0.00 0.15 0.02 -0.08 0.00 0.00 0.00 175.76 175.85 2qy6 s THR 229 N -1.10 0.18 -0.04 0.00 -1.32 -0.26 -1.75 115.64 111.35 2qy6 s THR 229 Ca -0.02 -1.45 0.13 0.00 -1.21 0.00 0.00 61.69 59.14 2qy6 s THR 229 Cb -0.09 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 69.73 2qy6 s THR 229 CO 0.02 -0.80 1.42 2.19 -2.21 0.00 0.00 174.62 175.24 2qy6 h PHE 230 N 3.48 0.00 -4.11 9.09 -5.15 -1.86 -2.71 116.94 115.69 2qy6 h PHE 230 Ca -0.33 0.00 -0.47 0.00 -0.20 0.00 0.00 57.97 56.96 2qy6 h PHE 230 Cb 1.17 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.35 2qy6 h PHE 230 CO 0.55 0.65 0.33 -0.08 -2.00 0.00 0.00 178.31 177.76 2qy6 s THR 231 N -2.95 4.55 -0.11 0.88 -1.32 -1.26 -4.54 115.64 110.90 2qy6 s THR 231 Ca 0.03 1.16 0.14 0.00 -1.21 0.00 0.00 61.69 61.81 2qy6 s THR 231 Cb 0.09 -3.71 0.29 0.00 -1.51 0.00 0.00 72.50 67.66 2qy6 s THR 231 CO 0.76 -0.62 1.14 -1.54 -2.21 0.00 0.00 174.62 172.15 2qy6 n SER 232 N -1.43 1.48 -4.60 8.08 3.41 -1.26 -3.14 113.62 116.16 2qy6 n SER 232 Ca 0.06 -2.93 -0.60 0.00 -0.26 0.00 0.00 58.87 55.14 2qy6 n SER 232 Cb 0.54 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 2qy6 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qy6 n ALA 233 N -0.75 -2.30 -0.07 7.33 0.00 -1.26 -4.82 120.51 118.64 2qy6 n ALA 233 Ca 0.12 0.54 0.08 0.00 0.00 0.00 0.00 53.44 54.18 2qy6 n ALA 233 Cb 0.75 -1.90 0.44 0.00 0.00 0.00 0.00 19.45 18.74 2qy6 n ALA 233 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qy6 h GLY 234 N 4.16 0.66 2.00 0.00 0.00 -2.00 -1.23 103.07 106.66 2qy6 h GLY 234 Ca -0.48 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 2qy6 h GLY 234 CO 0.78 0.17 -0.25 0.27 0.00 0.00 0.00 176.54 177.51 2qy6 h PHE 235 N 0.54 0.00 -0.04 5.60 -5.15 -1.99 -1.16 116.94 114.75 2qy6 h PHE 235 Ca 0.24 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.86 2qy6 h PHE 235 Cb 0.25 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.43 2qy6 h PHE 235 CO -0.00 0.25 -0.54 0.28 -2.00 0.00 0.00 178.31 176.30 2qy6 h VAL 236 N 0.00 1.41 -0.35 0.88 2.07 -1.59 0.27 116.25 118.94 2qy6 h VAL 236 Ca -0.00 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.54 2qy6 h VAL 236 Cb 0.70 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 2qy6 h VAL 236 CO 0.03 0.58 0.15 -0.09 0.02 0.00 0.00 177.57 178.26 2qy6 h ARG 237 N -0.04 0.51 -0.20 1.57 2.43 -1.29 -1.48 114.38 115.89 2qy6 h ARG 237 Ca -0.06 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 2qy6 h ARG 237 Cb 1.23 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2qy6 h ARG 237 CO 0.11 0.50 -0.30 0.00 -1.51 0.00 0.00 179.97 178.77 2qy6 h ARG 238 N 0.42 0.39 -0.21 0.20 3.08 -1.23 -1.70 114.38 115.33 2qy6 h ARG 238 Ca 0.12 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2qy6 h ARG 238 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2qy6 h ARG 238 CO -0.01 0.65 0.01 0.78 -1.07 0.00 0.00 179.97 180.33 2qy6 h GLY 239 N 1.06 0.39 1.15 0.04 0.00 -0.80 -0.56 103.07 104.35 2qy6 h GLY 239 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2qy6 h GLY 239 CO 0.05 0.26 0.35 1.41 0.00 0.00 0.00 176.54 178.61 2qy6 h LEU 240 N 0.13 0.99 -0.17 3.11 3.38 -1.19 -0.26 115.31 121.29 2qy6 h LEU 240 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2qy6 h LEU 240 Cb 0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2qy6 h LEU 240 CO 0.01 0.84 0.03 1.56 0.09 0.00 0.00 178.44 180.97 2qy6 h GLN 241 N 1.08 0.28 -0.38 1.13 4.20 -1.26 -1.10 115.11 119.07 2qy6 h GLN 241 Ca 0.26 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2qy6 h GLN 241 Cb 0.12 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2qy6 h GLN 241 CO -0.03 0.44 0.25 1.49 -0.67 0.00 0.00 178.83 180.31 2qy6 h GLU 242 N 0.07 0.50 -0.48 1.46 4.81 -0.94 -0.88 114.58 119.12 2qy6 h GLU 242 Ca 0.05 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.39 2qy6 h GLU 242 Cb 0.30 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2qy6 h GLU 242 CO 0.00 0.33 0.42 0.00 -0.73 0.00 0.00 179.01 179.03 2qy6 h ALA 243 N 1.14 2.30 0.00 2.92 0.00 -0.98 -3.47 119.26 121.17 2qy6 h ALA 243 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qy6 h ALA 243 Cb -0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qy6 h ALA 243 CO -0.03 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 178.97 2qy6 n GLY 244 N -1.56 0.97 3.77 0.00 0.00 -0.33 -4.82 105.19 103.22 2qy6 n GLY 244 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2qy6 n GLY 244 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qy6 s PHE 245 N -1.65 3.25 -0.49 1.61 0.08 -0.50 -4.45 117.98 115.83 2qy6 s PHE 245 Ca 0.00 1.62 -0.22 0.00 0.12 0.00 0.00 56.93 58.45 2qy6 s PHE 245 Cb 0.00 -3.27 0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2qy6 s PHE 245 CO 0.00 -0.90 0.78 0.99 -0.10 0.00 0.00 175.22 175.99 2qy6 s THR 246 N -1.45 4.64 0.02 0.64 2.01 -0.13 -4.08 115.64 117.29 2qy6 s THR 246 Ca 0.55 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.66 2qy6 s THR 246 Cb -0.28 -4.37 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 2qy6 s THR 246 CO 0.35 -0.84 0.23 -0.04 -0.69 0.00 0.00 174.62 173.63 2qy6 s MET 247 N 3.29 3.50 0.02 4.92 1.00 -1.26 -1.18 119.30 129.57 2qy6 s MET 247 Ca 0.26 -0.25 -0.04 0.00 0.00 0.00 0.00 55.69 55.66 2qy6 s MET 247 Cb -0.14 -3.06 -0.01 0.00 0.00 0.00 0.00 34.83 31.62 2qy6 s MET 247 CO 0.19 0.64 0.05 1.14 0.00 0.00 0.00 175.02 177.04 2qy6 s GLN 248 N -2.05 0.42 0.64 2.03 -2.07 0.66 -4.98 119.66 114.31 2qy6 s GLN 248 Ca 0.30 -0.56 -0.13 0.00 -1.82 0.00 0.00 55.36 53.16 2qy6 s GLN 248 Cb -0.13 0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 31.94 2qy6 s GLN 248 CO 0.20 -0.09 1.05 -1.59 -1.32 0.00 0.00 175.29 173.54 2qy6 s LYS 249 N -1.62 3.26 -0.08 9.60 -2.85 -1.26 -0.90 119.74 125.89 2qy6 s LYS 249 Ca -0.14 0.99 -0.18 0.00 -1.00 0.00 0.00 55.97 55.64 2qy6 s LYS 249 Cb -0.08 -2.03 0.04 0.00 -2.06 0.00 0.00 37.83 33.70 2qy6 s LYS 249 CO -0.01 -0.84 0.42 0.50 0.10 0.00 0.00 175.35 175.53 2qy6 s ARG 250 N -4.70 0.67 0.39 1.78 3.52 -0.97 -4.86 118.95 114.79 2qy6 s ARG 250 Ca 0.59 0.20 -0.27 0.00 -0.13 0.00 0.00 55.73 56.13 2qy6 s ARG 250 Cb -0.14 0.31 -0.11 0.00 -1.56 0.00 0.00 34.95 33.46 2qy6 s ARG 250 CO 0.47 -0.16 1.31 1.17 -0.81 0.00 0.00 175.30 177.28 2qy6 n LYS 251 N 1.83 2.10 -1.08 5.12 4.81 -1.26 0.35 118.16 130.03 2qy6 n LYS 251 Ca -0.18 0.74 -0.29 0.00 -0.87 0.00 0.00 58.31 57.72 2qy6 n LYS 251 Cb 0.57 -2.41 0.20 0.00 0.02 0.00 0.00 35.03 33.40 2qy6 n LYS 251 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2qy6 s GLY 252 N -0.41 1.56 0.24 3.14 0.00 -1.01 -4.44 107.32 106.39 2qy6 s GLY 252 Ca 0.58 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.55 2qy6 s GLY 252 CO 0.60 0.22 1.33 -0.12 0.00 0.00 0.00 173.10 175.13 2qy6 s PHE 253 N -2.91 3.18 0.00 1.90 5.36 -1.26 -4.58 117.98 119.66 2qy6 s PHE 253 Ca 0.67 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 2qy6 s PHE 253 Cb -0.18 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 2qy6 s PHE 253 CO 0.58 -2.00 0.00 0.41 -1.46 0.00 0.00 175.22 172.75 2qy6 n GLY 254 N 2.02 3.23 0.00 13.12 0.00 -1.26 -1.77 105.19 120.53 2qy6 n GLY 254 Ca 0.05 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.05 2qy6 n GLY 254 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qy6 n ARG 255 N 13.71 0.39 -2.21 1.61 1.74 -1.26 -4.84 116.66 125.79 2qy6 n ARG 255 Ca 0.00 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 2qy6 n ARG 255 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 2qy6 n ARG 255 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2qy6 s LYS 256 N -2.60 4.40 0.29 5.56 1.02 -0.73 -4.95 119.74 122.74 2qy6 s LYS 256 Ca 0.26 2.08 0.11 0.00 0.02 0.00 0.00 55.97 58.45 2qy6 s LYS 256 Cb 0.19 -3.16 0.41 0.00 -0.52 0.00 0.00 37.83 34.75 2qy6 s LYS 256 CO 0.44 -0.19 1.63 0.00 -0.92 0.00 0.00 175.35 176.32 2qy6 h ARG 257 N 4.66 0.00 -1.71 1.68 3.08 -1.88 -2.69 114.38 117.52 2qy6 h ARG 257 Ca -0.46 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.63 2qy6 h ARG 257 Cb 1.22 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.02 2qy6 h ARG 257 CO 0.73 0.58 0.35 -2.00 -1.07 0.00 0.00 179.97 178.56 2qy6 s GLU 258 N -3.64 0.59 0.32 0.04 2.12 -1.26 -3.36 118.70 113.51 2qy6 s GLU 258 Ca -0.01 0.74 0.06 0.00 0.36 0.00 0.00 54.97 56.12 2qy6 s GLU 258 Cb 0.13 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.75 2qy6 s GLU 258 CO 0.75 -0.08 0.26 0.00 -0.54 0.00 0.00 175.26 175.65 2qy6 s MET 259 N 0.42 1.71 -0.01 4.30 0.23 0.16 -4.27 119.30 121.83 2qy6 s MET 259 Ca 0.01 -1.99 0.05 0.00 -1.03 0.00 0.00 55.69 52.73 2qy6 s MET 259 Cb -0.05 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.50 2qy6 s MET 259 CO -0.06 -0.61 -0.17 -0.51 -2.03 0.00 0.00 175.02 171.64 2qy6 s LEU 260 N -3.37 2.04 0.15 0.18 1.43 -1.02 -2.28 118.68 115.82 2qy6 s LEU 260 Ca 0.40 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2qy6 s LEU 260 Cb 0.03 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 2qy6 s LEU 260 CO 0.25 0.20 0.23 0.00 0.23 0.00 0.00 176.35 177.27 2qy6 s GLY 262 N -2.98 -0.20 0.01 0.00 0.00 -0.31 -0.24 107.32 103.61 2qy6 s GLY 262 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.78 2qy6 s GLY 262 CO -0.00 -0.04 -0.06 0.14 0.00 0.00 0.00 173.10 173.14 2qy6 s VAL 263 N -3.88 0.45 -0.45 1.40 1.01 -0.33 -1.21 120.40 117.40 2qy6 s VAL 263 Ca 0.09 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 2qy6 s VAL 263 Cb -0.05 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.91 2qy6 s VAL 263 CO 0.03 -0.09 1.06 -0.32 0.00 0.00 0.00 175.10 175.78 2qy6 s MET 264 N -0.71 3.71 0.00 2.72 1.75 -0.35 -0.95 119.30 125.46 2qy6 s MET 264 Ca -0.03 0.49 0.00 0.00 -1.25 0.00 0.00 55.69 54.90 2qy6 s MET 264 Cb -0.05 -3.89 0.00 0.00 2.84 0.00 0.00 34.83 33.73 2qy6 s MET 264 CO 0.00 -1.26 0.00 0.39 -0.65 0.00 0.00 175.02 173.50