#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqi s ALA 34 N 0.00 3.44 0.32 5.41 0.00 -1.26 -4.98 121.76 124.69 2nqi s ALA 34 Ca 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 2nqi s ALA 34 Cb 0.00 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 2nqi s ALA 34 CO 0.00 -0.92 0.81 0.96 0.00 0.00 0.00 175.76 176.61 2nqi s ILE 35 N -1.17 4.52 -0.28 0.00 -4.36 -0.79 -4.61 121.20 114.52 2nqi s ILE 35 Ca 0.54 1.27 -0.29 0.00 -0.26 0.00 0.00 60.65 61.91 2nqi s ILE 35 Cb -0.43 -3.72 0.01 0.00 1.25 0.00 0.00 42.46 39.57 2nqi s ILE 35 CO 0.56 -0.07 1.08 -0.54 0.24 0.00 0.00 174.94 176.21 2nqi s LYS 36 N -2.65 4.14 -0.01 0.37 1.02 -1.26 -0.34 119.74 121.01 2nqi s LYS 36 Ca 0.53 1.21 -0.33 0.00 0.02 0.00 0.00 55.97 57.40 2nqi s LYS 36 Cb -0.13 -3.71 -0.11 0.00 -0.52 0.00 0.00 37.83 33.36 2nqi s LYS 36 CO 0.18 -0.80 1.89 0.98 -0.92 0.00 0.00 175.35 176.68 2nqi n TYR 37 N 6.69 2.41 -1.32 3.18 9.36 0.68 -1.33 117.16 136.84 2nqi n TYR 37 Ca 0.12 -0.13 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 2nqi n TYR 37 Cb 0.47 -2.71 -0.05 0.00 -0.63 0.00 0.00 39.34 36.42 2nqi n TYR 37 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2nqi n LEU 38 N 6.66 -0.56 0.00 2.98 4.77 -1.26 -1.60 117.00 127.99 2nqi n LEU 38 Ca 0.21 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2nqi n LEU 38 Cb 0.34 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 2nqi n LEU 38 CO 0.70 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 2nqi n GLY 39 N -0.63 0.31 3.70 -0.72 0.00 -0.44 -4.98 105.19 102.43 2nqi n GLY 39 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2nqi n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nqi s GLN 40 N -0.81 4.45 -0.44 1.61 -0.21 -0.62 -4.98 119.66 118.66 2nqi s GLN 40 Ca 0.00 1.57 -0.05 0.00 0.02 0.00 0.00 55.36 56.90 2nqi s GLN 40 Cb 0.00 -3.47 0.12 0.00 1.00 0.00 0.00 33.01 30.66 2nqi s GLN 40 CO 0.00 -0.25 0.27 0.34 -2.12 0.00 0.00 175.29 173.53 2nqi s ASP 41 N 1.15 5.40 0.15 5.90 -1.08 -1.26 -4.42 116.67 122.50 2nqi s ASP 41 Ca 0.54 -2.06 -0.29 0.00 -0.52 0.00 0.00 52.55 50.22 2nqi s ASP 41 Cb -0.24 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.29 2nqi s ASP 41 CO 0.25 -0.58 1.56 0.22 0.52 0.00 0.00 175.17 177.14 2nqi h TYR 42 N 8.10 -1.48 -0.49 -5.34 5.03 -1.95 0.85 116.97 121.69 2nqi h TYR 42 Ca -0.14 0.08 -0.13 0.00 2.58 0.00 0.00 58.73 61.11 2nqi h TYR 42 Cb 1.05 0.71 -0.01 0.00 1.55 0.00 0.00 36.73 40.03 2nqi h TYR 42 CO 0.59 -0.46 -0.22 0.93 -1.32 0.00 0.00 178.16 177.68 2nqi h GLU 43 N -0.33 1.01 -0.12 1.82 4.39 -1.98 0.42 114.58 119.79 2nqi h GLU 43 Ca 0.12 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 2nqi h GLU 43 Cb 0.58 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2nqi h GLU 43 CO -0.62 1.12 0.05 -0.97 -1.16 0.00 0.00 179.01 177.42 2nqi h ASN 44 N 0.87 0.17 -0.60 1.42 -0.73 -1.93 0.67 115.58 115.45 2nqi h ASN 44 Ca 0.11 -0.17 0.04 0.00 1.87 0.00 0.00 56.30 58.15 2nqi h ASN 44 Cb 0.81 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 39.31 2nqi h ASN 44 CO 0.07 0.29 0.34 -0.07 -0.37 0.00 0.00 177.43 177.69 2nqi h LEU 45 N 0.03 0.53 0.05 0.34 3.38 -0.73 -0.20 115.31 118.72 2nqi h LEU 45 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2nqi h LEU 45 Cb 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2nqi h LEU 45 CO -0.00 0.36 -0.03 -0.09 0.09 0.00 0.00 178.44 178.77 2nqi h ARG 46 N 0.66 -0.07 -0.69 1.13 2.43 -0.72 -0.84 114.38 116.28 2nqi h ARG 46 Ca 0.25 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2nqi h ARG 46 Cb 0.10 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2nqi h ARG 46 CO -0.14 0.09 0.14 0.00 -1.51 0.00 0.00 179.97 178.55 2nqi h ALA 47 N 0.72 0.94 -0.65 2.80 0.00 -0.68 -1.80 119.26 120.59 2nqi h ALA 47 Ca -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2nqi h ALA 47 Cb 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2nqi h ALA 47 CO 0.01 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.15 2nqi h ARG 48 N 1.06 1.00 -0.49 0.00 3.08 -0.95 -1.07 114.38 117.01 2nqi h ARG 48 Ca 0.21 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2nqi h ARG 48 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2nqi h ARG 48 CO 0.01 0.87 0.28 0.00 -1.07 0.00 0.00 179.97 180.06 2nqi h LEU 50 N 0.65 0.53 -0.71 0.00 3.38 -1.11 -0.07 115.31 117.99 2nqi h LEU 50 Ca 0.17 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2nqi h LEU 50 Cb 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2nqi h LEU 50 CO -0.03 0.51 0.43 -0.61 0.09 0.00 0.00 178.44 178.83 2nqi h GLN 51 N 0.52 0.80 -0.00 1.13 4.15 -1.02 -2.81 115.11 117.89 2nqi h GLN 51 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2nqi h GLN 51 Cb 0.11 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2nqi h GLN 51 CO -0.02 0.53 -0.05 0.09 -1.93 0.00 0.00 178.83 177.45 2nqi n ASN 52 N -4.69 0.22 -1.13 -0.69 5.03 -0.14 -4.91 115.26 108.96 2nqi n ASN 52 Ca 0.08 -0.44 -0.11 0.00 0.87 0.00 0.00 54.58 54.98 2nqi n ASN 52 Cb 0.11 -0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 38.70 2nqi n ASN 52 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2nqi n GLY 53 N 1.25 0.32 3.47 7.41 0.00 -0.15 -5.02 105.19 112.46 2nqi n GLY 53 Ca 0.15 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2nqi n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nqi s VAL 54 N -2.51 1.71 -0.02 1.61 -7.23 -0.56 -5.04 120.40 108.38 2nqi s VAL 54 Ca 0.00 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.03 2nqi s VAL 54 Cb 0.00 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2nqi s VAL 54 CO 0.00 -0.22 0.17 -0.76 -0.31 0.00 0.00 175.10 173.98 2nqi s LEU 55 N -3.50 4.32 0.34 1.32 1.43 -1.26 -4.28 118.68 117.05 2nqi s LEU 55 Ca 0.31 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 2nqi s LEU 55 Cb 0.05 -2.53 -0.11 0.00 0.03 0.00 0.00 46.19 43.63 2nqi s LEU 55 CO 0.14 0.28 1.43 0.12 0.23 0.00 0.00 176.35 178.54 2nqi s PHE 56 N -1.29 2.79 -0.09 0.29 5.36 0.23 -4.96 117.98 120.31 2nqi s PHE 56 Ca 0.26 1.20 0.02 0.00 -0.96 0.00 0.00 56.93 57.45 2nqi s PHE 56 Cb -0.12 -3.90 0.01 0.00 -0.34 0.00 0.00 43.02 38.67 2nqi s PHE 56 CO 0.17 -2.65 -0.15 -0.65 -1.46 0.00 0.00 175.22 170.48 2nqi s GLN 57 N -1.70 2.12 -0.62 10.12 -0.21 -1.26 -4.69 119.66 123.42 2nqi s GLN 57 Ca 0.53 -0.54 -0.25 0.00 0.02 0.00 0.00 55.36 55.12 2nqi s GLN 57 Cb -0.44 -1.77 0.04 0.00 1.00 0.00 0.00 33.01 31.85 2nqi s GLN 57 CO 0.57 -0.01 1.06 0.34 -2.12 0.00 0.00 175.29 175.12 2nqi s ASP 58 N 0.84 6.29 0.55 5.90 2.15 -1.26 -4.89 116.67 126.25 2nqi s ASP 58 Ca -0.10 -0.41 0.23 0.00 0.43 0.00 0.00 52.55 52.70 2nqi s ASP 58 Cb -0.15 -2.48 1.50 0.00 -0.30 0.00 0.00 42.92 41.49 2nqi s ASP 58 CO 0.01 -1.44 2.15 0.44 -0.17 0.00 0.00 175.17 176.16 2nqi h ASP 59 N 9.55 0.00 1.84 -0.34 3.32 -1.99 -1.69 116.42 127.10 2nqi h ASP 59 Ca -0.27 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 2nqi h ASP 59 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2nqi h ASP 59 CO 1.16 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 178.52 2nqi h ALA 60 N 1.93 0.90 -0.83 3.45 0.00 -1.99 -3.37 119.26 119.35 2nqi h ALA 60 Ca 0.04 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.46 2nqi h ALA 60 Cb 0.20 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 17.73 2nqi h ALA 60 CO -0.00 0.18 -0.75 0.34 0.00 0.00 0.00 179.25 179.02 2nqi n PHE 61 N -3.13 -2.13 -1.39 0.00 -0.00 -0.98 -5.10 117.46 104.73 2nqi n PHE 61 Ca 0.03 -2.50 -0.30 0.00 -0.00 0.00 0.00 57.45 54.69 2nqi n PHE 61 Cb 0.59 0.78 0.10 0.00 -0.00 0.00 0.00 39.48 40.95 2nqi n PHE 61 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2nqi s PRO 62 N -0.07 1.93 -1.43 -7.13 0.04 -0.67 -4.61 135.00 123.05 2nqi s PRO 62 Ca 0.33 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 2nqi s PRO 62 Cb 0.20 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.92 2nqi s PRO 62 CO -0.19 -1.78 2.21 -0.35 0.04 0.00 0.00 177.00 176.93 2nqi n PRO 63 N -3.57 3.12 -4.11 0.56 -0.04 -1.26 -4.50 135.00 125.21 2nqi n PRO 63 Ca 0.07 -2.80 -0.11 0.00 -0.04 0.00 0.00 63.50 60.63 2nqi n PRO 63 Cb 0.55 -3.16 -0.08 0.00 -0.04 0.00 0.00 33.50 30.77 2nqi n PRO 63 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2nqi s VAL 64 N 2.40 0.01 0.42 0.52 -7.23 -1.26 -4.91 120.40 110.35 2nqi s VAL 64 Ca 0.47 -1.74 0.13 0.00 -1.81 0.00 0.00 61.98 59.03 2nqi s VAL 64 Cb 0.13 -2.32 0.34 0.00 0.56 0.00 0.00 36.38 35.09 2nqi s VAL 64 CO -0.07 -0.05 1.94 0.77 -0.31 0.00 0.00 175.10 177.38 2nqi h SER 65 N 2.50 0.44 0.06 4.85 4.64 -1.94 -1.25 113.55 122.85 2nqi h SER 65 Ca -0.32 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2nqi h SER 65 Cb 1.25 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2nqi h SER 65 CO 0.47 0.24 -0.01 0.45 -0.87 0.00 0.00 176.83 177.11 2nqi h HIS 66 N 0.47 0.00 0.00 4.77 3.86 -1.89 0.10 115.15 122.47 2nqi h HIS 66 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2nqi h HIS 66 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2nqi h HIS 66 CO -0.00 0.01 -0.28 0.77 0.86 0.00 0.00 177.93 179.29 2nqi h SER 67 N 0.00 0.00 0.09 2.45 0.02 -1.45 -3.32 113.55 111.34 2nqi h SER 67 Ca -0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2nqi h SER 67 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2nqi h SER 67 CO 0.00 0.01 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.59 2nqi h LEU 68 N 0.00 -0.10 0.00 5.07 3.38 -0.87 -1.32 115.31 121.48 2nqi h LEU 68 Ca 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2nqi h LEU 68 Cb 0.96 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2nqi h LEU 68 CO 0.00 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2nqi n GLY 69 N 1.02 -0.66 0.00 0.83 0.00 -0.69 -0.15 105.19 105.53 2nqi n GLY 69 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2nqi n GLY 69 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2nqi n PHE 70 N 2.46 0.00 0.00 1.61 1.16 -1.25 -4.25 117.46 117.19 2nqi n PHE 70 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2nqi n PHE 70 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2nqi n PHE 70 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2nqi n LYS 71 N -0.28 0.00 -0.29 3.97 4.81 -1.26 -4.20 118.16 120.91 2nqi n LYS 71 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 2nqi n LYS 71 Cb 0.00 0.00 0.40 0.00 0.02 0.00 0.00 35.03 35.46 2nqi n LYS 71 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2nqi h GLU 72 N 0.00 0.61 -0.26 1.64 5.08 -2.00 -2.00 114.58 117.65 2nqi h GLU 72 Ca 0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2nqi h GLU 72 Cb 0.00 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.03 2nqi h GLU 72 CO 0.00 0.40 -0.20 1.28 -1.00 0.00 0.00 179.01 179.50 2nqi n LEU 73 N -4.60 3.76 -4.81 1.33 7.99 -1.26 -4.43 117.00 114.98 2nqi n LEU 73 Ca 0.20 -3.83 -0.29 0.00 -0.01 0.00 0.00 56.01 52.08 2nqi n LEU 73 Cb 0.58 -0.61 0.17 0.00 -0.11 0.00 0.00 43.42 43.45 2nqi n LEU 73 CO 0.27 1.31 0.76 -0.83 -1.51 0.00 0.00 177.39 177.40 2nqi s GLY 74 N -2.73 1.66 0.45 -0.72 0.00 -0.75 -2.55 107.32 102.67 2nqi s GLY 74 Ca 0.43 -0.89 0.31 0.00 0.00 0.00 0.00 44.72 44.57 2nqi s GLY 74 CO -0.02 -0.18 1.91 -0.56 0.00 0.00 0.00 173.10 174.25 2nqi h PRO 75 N -1.75 0.00 -0.31 2.90 0.13 -1.82 -2.83 132.00 128.30 2nqi h PRO 75 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2nqi h PRO 75 Cb 1.29 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.33 2nqi h PRO 75 CO 0.47 0.00 -0.10 0.09 -0.23 0.00 0.00 178.00 178.23 2nqi n ASN 76 N -2.73 2.52 -4.66 1.44 5.03 -1.26 -4.83 115.26 110.77 2nqi n ASN 76 Ca 0.01 -3.72 -0.31 0.00 0.87 0.00 0.00 54.58 51.43 2nqi n ASN 76 Cb 0.23 -0.62 -0.09 0.00 -1.02 0.00 0.00 39.78 38.29 2nqi n ASN 76 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2nqi s SER 77 N -2.55 4.93 0.19 6.41 1.04 -1.07 -5.03 113.70 117.63 2nqi s SER 77 Ca 0.44 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.52 2nqi s SER 77 Cb 0.40 -1.16 0.16 0.00 0.10 0.00 0.00 66.02 65.51 2nqi s SER 77 CO -0.00 0.20 1.61 0.28 0.98 0.00 0.00 173.24 176.31 2nqi h SER 78 N 3.70 -0.86 -0.22 7.02 0.02 -1.90 -1.86 113.55 119.45 2nqi h SER 78 Ca -0.48 0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.72 2nqi h SER 78 Cb 1.17 0.47 -0.06 0.00 0.14 0.00 0.00 62.40 64.12 2nqi h SER 78 CO 0.58 -0.26 -0.16 0.11 -1.14 0.00 0.00 176.83 175.96 2nqi h LYS 79 N -0.11 -0.15 0.61 3.45 1.57 -1.94 -3.02 116.57 116.98 2nqi h LYS 79 Ca 0.25 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2nqi h LYS 79 Cb 0.50 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2nqi h LYS 79 CO -0.62 -0.10 -0.32 1.15 -0.57 0.00 0.00 179.45 178.99 2nqi h THR 80 N -0.15 0.35 -0.51 -0.16 2.02 -1.73 -3.12 112.91 109.61 2nqi h THR 80 Ca 0.13 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.47 2nqi h THR 80 Cb 0.34 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.01 2nqi h THR 80 CO -0.31 0.00 0.11 -1.22 0.37 0.00 0.00 175.52 174.47 2nqi n TYR 81 N -5.47 0.43 1.33 3.16 4.01 -0.72 -0.20 117.16 119.70 2nqi n TYR 81 Ca -0.13 0.61 0.14 0.00 -0.16 0.00 0.00 57.90 58.36 2nqi n TYR 81 Cb 0.36 -0.94 0.72 0.00 -0.31 0.00 0.00 39.34 39.16 2nqi n TYR 81 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nqi n GLY 82 N -1.21 -1.26 3.68 2.72 0.00 -1.18 -4.90 105.19 103.05 2nqi n GLY 82 Ca 0.15 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2nqi n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nqi s ILE 83 N -2.61 5.22 -0.06 -0.61 1.01 0.73 -4.59 121.20 120.28 2nqi s ILE 83 Ca 0.26 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.63 2nqi s ILE 83 Cb 0.19 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 2nqi s ILE 83 CO 0.45 0.28 -0.15 -0.54 0.00 0.00 0.00 174.94 174.98 2nqi s LYS 84 N 1.11 2.63 -0.24 2.79 1.02 -0.17 -4.92 119.74 121.95 2nqi s LYS 84 Ca 0.19 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.24 2nqi s LYS 84 Cb -0.14 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2nqi s LYS 84 CO 0.07 0.54 0.70 -1.58 -0.92 0.00 0.00 175.35 174.16 2nqi s TRP 85 N -0.51 3.31 0.01 3.18 0.52 -1.26 -0.63 118.94 123.56 2nqi s TRP 85 Ca 0.07 0.95 0.01 0.00 0.02 0.00 0.00 56.10 57.15 2nqi s TRP 85 Cb -0.12 -2.91 -0.01 0.00 -1.15 0.00 0.00 33.47 29.29 2nqi s TRP 85 CO 0.01 -0.33 -0.04 0.15 0.02 0.00 0.00 176.95 176.77 2nqi s LYS 86 N 2.52 0.31 0.41 4.98 1.02 -0.74 -4.84 119.74 123.40 2nqi s LYS 86 Ca 0.30 -0.27 -0.23 0.00 0.02 0.00 0.00 55.97 55.79 2nqi s LYS 86 Cb -0.15 -0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 36.83 2nqi s LYS 86 CO 0.08 0.05 0.97 1.03 -0.92 0.00 0.00 175.35 176.56 2nqi s ARG 87 N -0.46 4.27 0.63 1.68 0.52 -1.25 -1.38 118.95 122.96 2nqi s ARG 87 Ca -0.02 1.24 0.32 0.00 -0.52 0.00 0.00 55.73 56.74 2nqi s ARG 87 Cb -0.04 -2.37 1.75 0.00 0.52 0.00 0.00 34.95 34.82 2nqi s ARG 87 CO -0.00 -0.00 2.04 -1.35 0.02 0.00 0.00 175.30 176.01 2nqi h PRO 88 N 2.25 0.00 0.00 3.54 0.11 -1.97 0.17 132.00 136.11 2nqi h PRO 88 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2nqi h PRO 88 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2nqi h PRO 88 CO 0.62 0.00 -0.11 0.25 -0.21 0.00 0.00 178.00 178.54 2nqi n THR 89 N -3.30 0.09 -0.03 -1.15 -2.24 -1.26 -1.62 114.28 104.77 2nqi n THR 89 Ca 0.00 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 2nqi n THR 89 Cb 0.35 -0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 2nqi n THR 89 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nqi n GLU 90 N -1.62 0.66 0.08 -0.78 1.02 0.55 -4.50 120.64 116.05 2nqi n GLU 90 Ca 0.06 -0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2nqi n GLU 90 Cb 0.35 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 30.04 2nqi n GLU 90 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2nqi h LEU 91 N 0.00 0.60 -8.53 -4.62 3.38 -1.13 -3.48 115.31 101.53 2nqi h LEU 91 Ca -0.20 -0.92 -0.36 0.00 0.09 0.00 0.00 57.88 56.48 2nqi h LEU 91 Cb 1.49 -0.20 -0.18 0.00 0.09 0.00 0.00 40.66 41.87 2nqi h LEU 91 CO 0.02 1.61 -0.74 -0.76 0.09 0.00 0.00 178.44 178.65 2nqi s LEU 92 N -7.64 2.41 0.21 1.67 1.43 -0.64 -5.05 118.68 111.08 2nqi s LEU 92 Ca -0.14 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 2nqi s LEU 92 Cb 0.03 -0.42 0.18 0.00 0.03 0.00 0.00 46.19 46.02 2nqi s LEU 92 CO 0.86 -0.21 1.55 -1.28 0.23 0.00 0.00 176.35 177.50 2nqi h SER 93 N 3.49 0.56 -2.14 2.29 0.87 -1.88 -3.40 113.55 113.34 2nqi h SER 93 Ca -0.38 -0.28 -0.55 0.00 -1.23 0.00 0.00 61.79 59.35 2nqi h SER 93 Cb 1.19 -0.16 -0.41 0.00 -0.44 0.00 0.00 62.40 62.59 2nqi h SER 93 CO 0.53 0.96 -0.89 -3.20 -0.53 0.00 0.00 176.83 173.69 2nqi n ASN 94 N -3.98 2.59 -4.76 6.23 5.15 -1.26 -5.08 115.26 114.15 2nqi n ASN 94 Ca -0.02 -3.30 -0.37 0.00 -0.60 0.00 0.00 54.58 50.28 2nqi n ASN 94 Cb 0.57 -0.60 0.02 0.00 -0.53 0.00 0.00 39.78 39.23 2nqi n ASN 94 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2nqi s PRO 95 N -2.74 3.39 -0.00 1.20 0.04 -1.26 -4.97 135.00 130.66 2nqi s PRO 95 Ca 0.43 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.43 2nqi s PRO 95 Cb 0.28 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2nqi s PRO 95 CO -0.10 -0.89 -0.14 -0.65 0.04 0.00 0.00 177.00 175.26 2nqi s GLN 96 N -2.92 1.09 -0.02 4.56 -1.52 0.11 -4.66 119.66 116.30 2nqi s GLN 96 Ca 0.69 -0.55 -0.24 0.00 -1.95 0.00 0.00 55.36 53.32 2nqi s GLN 96 Cb -0.32 -1.07 -0.17 0.00 -0.22 0.00 0.00 33.01 31.23 2nqi s GLN 96 CO 0.38 0.29 1.10 0.35 -0.25 0.00 0.00 175.29 177.15 2nqi h PHE 97 N 5.64 -0.21 -3.77 0.91 3.57 -1.85 -0.68 116.94 120.55 2nqi h PHE 97 Ca -0.35 -0.01 -0.46 0.00 3.53 0.00 0.00 57.97 60.69 2nqi h PHE 97 Cb 1.17 0.07 -0.31 0.00 2.79 0.00 0.00 35.95 39.66 2nqi h PHE 97 CO 0.42 0.20 -0.80 0.42 -2.23 0.00 0.00 178.31 176.33 2nqi s ILE 98 N -4.06 0.91 -0.08 1.41 1.01 -1.26 -1.46 121.20 117.67 2nqi s ILE 98 Ca -0.14 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2nqi s ILE 98 Cb 0.01 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2nqi s ILE 98 CO 0.55 0.28 -0.11 0.68 0.00 0.00 0.00 174.94 176.34 2nqi s VAL 99 N 0.25 1.13 -1.59 2.92 -7.23 -1.26 -4.81 120.40 109.81 2nqi s VAL 99 Ca -0.05 -0.45 -0.15 0.00 -1.81 0.00 0.00 61.98 59.52 2nqi s VAL 99 Cb -0.10 -1.05 0.11 0.00 0.56 0.00 0.00 36.38 35.89 2nqi s VAL 99 CO 0.01 0.36 0.91 -0.67 -0.31 0.00 0.00 175.10 175.41 2nqi n ASP 100 N 4.05 -4.25 0.00 4.85 4.64 -1.26 -4.67 116.55 119.91 2nqi n ASP 100 Ca -0.21 -0.86 0.00 0.00 -1.38 0.00 0.00 54.79 52.34 2nqi n ASP 100 Cb 0.51 -3.51 0.00 0.00 -1.04 0.00 0.00 41.12 37.08 2nqi n ASP 100 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2nqi n GLY 101 N -1.60 -0.18 3.46 0.27 0.00 -1.26 -4.79 105.19 101.09 2nqi n GLY 101 Ca 0.05 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 2nqi n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqi s ALA 102 N -2.99 3.11 0.29 4.61 0.00 -1.26 -4.99 121.76 120.53 2nqi s ALA 102 Ca 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 51.96 50.06 2nqi s ALA 102 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 2nqi s ALA 102 CO 0.00 -2.85 0.06 0.95 0.00 0.00 0.00 175.76 173.92 2nqi s THR 103 N 4.02 0.98 0.48 0.00 -4.23 -1.26 -4.79 115.64 110.84 2nqi s THR 103 Ca 0.25 -2.01 0.24 0.00 -1.18 0.00 0.00 61.69 58.99 2nqi s THR 103 Cb -0.15 -2.66 0.28 0.00 1.34 0.00 0.00 72.50 71.32 2nqi s THR 103 CO 0.08 -0.07 2.11 0.08 -0.54 0.00 0.00 174.62 176.28 2nqi h ARG 104 N 2.26 0.00 0.00 3.99 0.11 -1.89 -1.60 114.38 117.25 2nqi h ARG 104 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 2nqi h ARG 104 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2nqi h ARG 104 CO 0.66 0.09 0.00 0.25 0.10 0.00 0.00 179.97 181.07 2nqi n THR 105 N -3.93 0.86 1.20 0.08 -2.24 -1.26 -1.76 114.28 107.24 2nqi n THR 105 Ca -0.02 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 2nqi n THR 105 Cb 0.18 -1.21 0.62 0.00 -2.10 0.00 0.00 70.33 67.82 2nqi n THR 105 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2nqi n ASP 106 N -2.21 0.00 -4.13 3.42 8.00 -0.60 -2.61 116.55 118.41 2nqi n ASP 106 Ca 0.02 -0.21 -0.38 0.00 0.71 0.00 0.00 54.79 54.93 2nqi n ASP 106 Cb 0.21 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 2nqi n ASP 106 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2nqi s ILE 107 N -2.44 3.94 -0.28 0.53 -1.09 -0.72 -3.18 121.20 117.95 2nqi s ILE 107 Ca 0.25 -2.81 0.03 0.00 -2.23 0.00 0.00 60.65 55.89 2nqi s ILE 107 Cb 0.16 -3.56 0.07 0.00 -1.58 0.00 0.00 42.46 37.56 2nqi s ILE 107 CO 0.34 -0.88 -0.04 0.00 -1.23 0.00 0.00 174.94 173.13 2nqi n GLN 109 N 4.46 1.91 0.00 0.00 7.27 -0.41 -1.93 117.38 128.68 2nqi n GLN 109 Ca -0.08 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.68 2nqi n GLN 109 Cb 0.42 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.49 2nqi n GLN 109 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2nqi n GLY 110 N 0.70 2.83 2.51 1.69 0.00 -1.18 -4.84 105.19 106.89 2nqi n GLY 110 Ca 0.08 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 2nqi n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqi n ALA 111 N -3.00 6.72 -3.42 4.61 0.00 0.04 -4.83 120.51 120.62 2nqi n ALA 111 Ca 0.00 -4.05 -0.13 0.00 0.00 0.00 0.00 53.44 49.26 2nqi n ALA 111 Cb 0.00 -2.87 -0.09 0.00 0.00 0.00 0.00 19.45 16.49 2nqi n ALA 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2nqi s LEU 112 N -1.60 0.00 0.00 0.00 2.96 -1.26 -4.92 118.68 113.86 2nqi s LEU 112 Ca 0.54 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 55.49 2nqi s LEU 112 Cb 0.17 1.80 -0.06 0.00 0.50 0.00 0.00 46.19 48.60 2nqi s LEU 112 CO -0.08 -0.18 2.18 0.61 -1.32 0.00 0.00 176.35 177.56 2nqi n GLY 113 N 2.80 2.43 1.98 7.98 0.00 -1.26 -4.42 105.19 114.69 2nqi n GLY 113 Ca -0.13 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 2nqi n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nqi n ASP 114 N 1.79 4.12 -0.30 1.61 3.85 -1.25 0.31 116.55 126.68 2nqi n ASP 114 Ca 0.09 -3.69 0.12 0.00 -0.71 0.00 0.00 54.79 50.60 2nqi n ASP 114 Cb 0.54 -0.79 0.28 0.00 -1.35 0.00 0.00 41.12 39.80 2nqi n ASP 114 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2nqi h TRP 116 N 0.40 1.21 -0.11 0.00 5.08 -1.87 0.22 115.95 120.89 2nqi h TRP 116 Ca 0.53 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 60.46 2nqi h TRP 116 Cb 0.98 -0.41 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 2nqi h TRP 116 CO -0.15 0.76 -0.20 1.25 -1.28 0.00 0.00 178.44 178.82 2nqi h LEU 117 N 1.30 0.36 -0.86 0.11 5.85 -1.56 -2.97 115.31 117.55 2nqi h LEU 117 Ca 0.36 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2nqi h LEU 117 Cb -0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2nqi h LEU 117 CO -0.08 0.84 0.16 -0.07 -0.34 0.00 0.00 178.44 178.95 2nqi h LEU 118 N -0.11 0.94 -1.00 2.25 3.38 -1.07 -1.34 115.31 118.37 2nqi h LEU 118 Ca 0.01 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2nqi h LEU 118 Cb 0.78 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2nqi h LEU 118 CO 0.04 0.91 0.65 0.00 0.09 0.00 0.00 178.44 180.13 2nqi h ALA 119 N 1.21 1.36 -0.29 1.53 0.00 -0.62 -0.34 119.26 122.12 2nqi h ALA 119 Ca 0.20 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2nqi h ALA 119 Cb 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2nqi h ALA 119 CO -0.00 0.50 -0.25 0.00 0.00 0.00 0.00 179.25 179.49 2nqi h ALA 120 N 1.43 0.42 -0.26 0.00 0.00 -1.30 -1.59 119.26 117.97 2nqi h ALA 120 Ca 0.42 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2nqi h ALA 120 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2nqi h ALA 120 CO -0.15 0.41 0.14 0.82 0.00 0.00 0.00 179.25 180.47 2nqi h ILE 121 N 0.43 1.12 -0.50 0.00 2.04 -1.00 0.74 117.51 120.34 2nqi h ILE 121 Ca 0.05 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.66 2nqi h ILE 121 Cb 0.81 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 2nqi h ILE 121 CO 0.06 0.12 0.19 0.00 0.00 0.00 0.00 178.15 178.52 2nqi h ALA 122 N 1.02 0.62 -0.38 1.87 0.00 -1.07 -2.57 119.26 118.74 2nqi h ALA 122 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2nqi h ALA 122 Cb 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2nqi h ALA 122 CO -0.01 -0.20 0.13 0.77 0.00 0.00 0.00 179.25 179.93 2nqi h SER 123 N 0.37 0.14 -0.89 0.00 0.02 -1.03 -3.03 113.55 109.13 2nqi h SER 123 Ca 0.24 0.04 0.23 0.00 -0.84 0.00 0.00 61.79 61.46 2nqi h SER 123 Cb 0.24 0.03 -0.16 0.00 0.14 0.00 0.00 62.40 62.66 2nqi h SER 123 CO -0.24 0.11 0.05 0.25 -1.14 0.00 0.00 176.83 175.87 2nqi h LEU 124 N 0.28 -0.35 -2.92 5.07 5.85 -0.50 -1.17 115.31 121.57 2nqi h LEU 124 Ca 0.17 0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2nqi h LEU 124 Cb 0.15 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2nqi h LEU 124 CO -0.18 -0.25 0.01 0.71 -0.34 0.00 0.00 178.44 178.39 2nqi h THR 125 N 0.08 0.00 0.00 1.05 1.35 -1.34 -0.94 112.91 113.11 2nqi h THR 125 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 2nqi h THR 125 Cb 1.02 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2nqi h THR 125 CO -0.78 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 174.67 2nqi n LEU 126 N -3.05 0.31 -4.02 3.87 4.77 -0.44 -4.34 117.00 114.10 2nqi n LEU 126 Ca -0.03 0.54 -0.33 0.00 -0.03 0.00 0.00 56.01 56.16 2nqi n LEU 126 Cb 0.08 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.59 2nqi n LEU 126 CO 0.19 -0.15 -0.15 0.21 -1.33 0.00 0.00 177.39 176.16 2nqi s ASN 127 N -3.58 4.77 0.38 -1.43 3.84 -0.36 -4.98 114.94 113.59 2nqi s ASN 127 Ca 0.11 -2.66 0.14 0.00 0.21 0.00 0.00 52.86 50.66 2nqi s ASN 127 Cb 0.15 -1.72 0.99 0.00 -0.55 0.00 0.00 41.25 40.11 2nqi s ASN 127 CO 0.50 -0.34 1.82 -0.08 -2.79 0.00 0.00 177.10 176.21 2nqi h GLU 128 N 7.07 0.50 -0.10 0.43 4.57 -1.79 0.89 114.58 126.15 2nqi h GLU 128 Ca -0.06 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2nqi h GLU 128 Cb 0.95 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2nqi h GLU 128 CO 0.66 0.33 -0.07 1.15 -1.18 0.00 0.00 179.01 179.90 2nqi h THR 129 N 0.51 1.34 0.00 0.32 2.02 -1.93 -2.39 112.91 112.77 2nqi h THR 129 Ca 0.51 -1.15 -0.19 0.00 0.77 0.00 0.00 66.41 66.35 2nqi h THR 129 Cb 1.13 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 2nqi h THR 129 CO -0.24 0.33 -0.90 -0.29 0.37 0.00 0.00 175.52 174.78 2nqi h ILE 130 N -0.15 1.64 -0.41 3.11 6.09 -1.80 -2.92 117.51 123.08 2nqi h ILE 130 Ca 0.02 -3.07 0.08 0.00 -1.37 0.00 0.00 64.86 60.51 2nqi h ILE 130 Cb 0.55 2.66 -0.07 0.00 0.47 0.00 0.00 36.82 40.44 2nqi h ILE 130 CO 0.02 0.88 -0.01 0.25 -3.07 0.00 0.00 178.15 176.22 2nqi h LEU 131 N 0.00 -0.19 -1.10 2.19 5.85 -0.79 -2.42 115.31 118.86 2nqi h LEU 131 Ca -0.01 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2nqi h LEU 131 Cb 1.59 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.80 2nqi h LEU 131 CO 0.12 -0.06 0.00 1.41 -0.34 0.00 0.00 178.44 179.57 2nqi n HIS 132 N -5.21 0.15 0.03 1.25 8.25 -0.91 -1.02 115.22 117.76 2nqi n HIS 132 Ca 0.03 -0.07 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 2nqi n HIS 132 Cb 0.22 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.19 2nqi n HIS 132 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2nqi h ARG 133 N 2.34 0.28 -0.13 -0.41 2.43 -1.27 -3.32 114.38 114.29 2nqi h ARG 133 Ca 0.00 -0.43 -0.18 0.00 -0.81 0.00 0.00 59.98 58.56 2nqi h ARG 133 Cb 0.51 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2nqi h ARG 133 CO 0.00 1.18 -0.65 0.28 -1.51 0.00 0.00 179.97 179.27 2nqi h VAL 134 N -0.39 1.34 -3.38 0.20 2.07 -1.05 -3.37 116.25 111.68 2nqi h VAL 134 Ca -0.11 -1.96 -0.68 0.00 0.82 0.00 0.00 66.70 64.77 2nqi h VAL 134 Cb 1.49 1.94 -0.37 0.00 -1.52 0.00 0.00 31.29 32.83 2nqi h VAL 134 CO 0.13 0.60 -0.35 -0.69 0.02 0.00 0.00 177.57 177.28 2nqi s VAL 135 N -3.81 3.64 0.55 2.57 1.01 -0.19 -1.27 120.40 122.90 2nqi s VAL 135 Ca -0.07 -3.54 -0.20 0.00 0.00 0.00 0.00 61.98 58.18 2nqi s VAL 135 Cb 0.11 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 2nqi s VAL 135 CO 0.85 -0.96 0.82 -2.65 0.00 0.00 0.00 175.10 173.16 2nqi n PRO 136 N 2.79 0.85 -1.70 2.72 -0.02 -1.25 -4.40 135.00 134.00 2nqi n PRO 136 Ca 0.14 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 2nqi n PRO 136 Cb 0.36 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2nqi n PRO 136 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2nqi s TYR 137 N -1.53 3.33 0.00 6.00 2.02 -1.26 -4.42 117.35 121.49 2nqi s TYR 137 Ca 0.71 1.36 0.00 0.00 -0.37 0.00 0.00 57.07 58.77 2nqi s TYR 137 Cb -0.46 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 2nqi s TYR 137 CO 0.52 -1.00 0.00 0.41 -1.57 0.00 0.00 175.55 173.90 2nqi n GLY 138 N -2.32 0.43 3.53 0.71 0.00 -1.26 -5.05 105.19 101.23 2nqi n GLY 138 Ca 0.07 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2nqi n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nqi s GLN 139 N -3.62 2.92 0.26 1.61 -0.21 -1.26 -5.11 119.66 114.26 2nqi s GLN 139 Ca 0.00 -0.58 -0.21 0.00 0.02 0.00 0.00 55.36 54.59 2nqi s GLN 139 Cb 0.00 -2.61 0.03 0.00 1.00 0.00 0.00 33.01 31.42 2nqi s GLN 139 CO 0.00 0.55 0.72 -1.54 -2.12 0.00 0.00 175.29 172.90 2nqi s SER 140 N -0.51 -0.28 0.00 5.90 1.04 -1.26 -4.73 113.70 113.86 2nqi s SER 140 Ca 0.07 -0.54 0.20 0.00 0.48 0.00 0.00 55.95 56.15 2nqi s SER 140 Cb -0.12 0.71 0.62 0.00 0.10 0.00 0.00 66.02 67.33 2nqi s SER 140 CO 0.02 -1.29 1.48 0.49 0.98 0.00 0.00 173.24 174.91 2nqi n PHE 141 N -0.45 0.32 0.00 5.02 3.01 -1.26 -4.35 117.46 119.74 2nqi n PHE 141 Ca -0.05 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2nqi n PHE 141 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 2nqi n PHE 141 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2nqi n GLN 142 N 0.57 0.00 -1.65 -1.08 3.00 -1.26 -4.80 117.38 112.16 2nqi n GLN 142 Ca 0.16 0.00 -0.50 0.00 -0.01 0.00 0.00 57.00 56.65 2nqi n GLN 142 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.56 2nqi n GLN 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2nqi n GLU 143 N 0.00 1.61 -0.54 -1.09 4.07 -1.26 -0.05 120.64 123.38 2nqi n GLU 143 Ca 0.00 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 2nqi n GLU 143 Cb 0.00 -2.30 0.00 0.00 -0.06 0.00 0.00 31.44 29.08 2nqi n GLU 143 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2nqi n GLY 144 N 3.30 1.26 3.70 8.31 0.00 -1.26 -4.85 105.19 115.65 2nqi n GLY 144 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2nqi n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2nqi s TYR 145 N -3.28 2.64 -0.03 1.61 5.04 0.92 -4.88 117.35 119.36 2nqi s TYR 145 Ca 0.00 0.36 0.18 0.00 -2.44 0.00 0.00 57.07 55.17 2nqi s TYR 145 Cb 0.00 -4.01 0.33 0.00 0.35 0.00 0.00 41.96 38.62 2nqi s TYR 145 CO 0.00 -3.97 1.14 0.00 -1.34 0.00 0.00 175.55 171.38 2nqi n ALA 146 N 4.89 2.42 -2.27 3.97 0.00 -1.26 -4.94 120.51 123.32 2nqi n ALA 146 Ca 0.16 -2.16 -0.11 0.00 0.00 0.00 0.00 53.44 51.33 2nqi n ALA 146 Cb 0.39 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 2nqi n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nqi n GLY 147 N 0.14 -0.04 2.96 0.00 0.00 -1.26 -0.61 105.19 106.38 2nqi n GLY 147 Ca 0.06 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2nqi n GLY 147 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2nqi s ILE 148 N -2.58 -0.00 0.20 -0.61 2.07 -1.26 -1.83 121.20 117.19 2nqi s ILE 148 Ca 0.02 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 2nqi s ILE 148 Cb -0.01 -0.15 -0.05 0.00 0.13 0.00 0.00 42.46 42.39 2nqi s ILE 148 CO 0.03 0.01 0.05 -0.36 -1.91 0.00 0.00 174.94 172.76 2nqi s PHE 149 N 0.15 1.28 0.06 3.50 0.40 -0.15 -4.94 117.98 118.28 2nqi s PHE 149 Ca -0.01 -1.13 -0.12 0.00 -0.60 0.00 0.00 56.93 55.08 2nqi s PHE 149 Cb -0.02 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.79 2nqi s PHE 149 CO -0.00 -0.32 0.26 -3.38 0.70 0.00 0.00 175.22 172.48 2nqi s HIS 150 N -3.77 -0.02 0.04 0.36 -3.43 -1.26 -0.98 115.29 106.23 2nqi s HIS 150 Ca 0.30 -0.21 -0.07 0.00 -0.80 0.00 0.00 55.06 54.28 2nqi s HIS 150 Cb 0.07 0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 31.26 2nqi s HIS 150 CO 0.08 -0.51 0.12 -0.06 -2.00 0.00 0.00 174.74 172.37 2nqi s PHE 151 N -2.92 0.17 -0.11 0.38 0.08 -0.41 -4.39 117.98 110.77 2nqi s PHE 151 Ca -0.02 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 2nqi s PHE 151 Cb 0.00 -0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.32 2nqi s PHE 151 CO -0.06 -0.39 -0.09 -0.65 -0.10 0.00 0.00 175.22 173.93 2nqi s GLN 152 N -2.69 3.20 0.09 0.44 -0.21 -0.39 -0.24 119.66 119.86 2nqi s GLN 152 Ca -0.04 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 54.78 2nqi s GLN 152 Cb -0.01 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 2nqi s GLN 152 CO -0.05 0.39 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.90 2nqi s LEU 153 N -0.09 2.38 -0.55 2.90 1.43 -0.47 -4.32 118.68 119.96 2nqi s LEU 153 Ca -0.00 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.12 2nqi s LEU 153 Cb -0.13 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.82 2nqi s LEU 153 CO 0.03 -0.23 0.77 0.86 0.23 0.00 0.00 176.35 178.01 2nqi s TRP 154 N -2.21 2.92 0.02 0.29 -0.11 0.89 -0.12 118.94 120.61 2nqi s TRP 154 Ca 0.04 -0.46 0.00 0.00 1.22 0.00 0.00 56.10 56.90 2nqi s TRP 154 Cb -0.04 -3.86 -0.02 0.00 -1.50 0.00 0.00 33.47 28.05 2nqi s TRP 154 CO 0.00 -1.25 -0.03 -0.65 -4.62 0.00 0.00 176.95 170.41 2nqi s GLN 155 N 3.21 0.28 -1.27 5.86 -1.52 0.06 -4.34 119.66 121.94 2nqi s GLN 155 Ca 0.20 -0.51 0.00 0.00 -1.95 0.00 0.00 55.36 53.10 2nqi s GLN 155 Cb -0.18 0.03 0.00 0.00 -0.22 0.00 0.00 33.01 32.65 2nqi s GLN 155 CO 0.13 -0.03 0.00 1.19 -0.25 0.00 0.00 175.29 176.33 2nqi n PHE 156 N 1.88 -1.26 -2.08 0.91 3.72 -1.26 -0.53 117.46 118.84 2nqi n PHE 156 Ca -0.21 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.05 2nqi n PHE 156 Cb 0.56 -3.08 -0.02 0.00 -0.94 0.00 0.00 39.48 36.00 2nqi n PHE 156 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nqi n GLY 157 N -0.84 0.13 3.15 1.37 0.00 -1.26 -5.01 105.19 102.73 2nqi n GLY 157 Ca -0.17 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2nqi n GLY 157 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nqi s GLU 158 N -4.36 0.46 -0.23 1.61 0.41 0.31 -5.11 118.70 111.79 2nqi s GLU 158 Ca 0.00 -0.08 -0.29 0.00 -0.41 0.00 0.00 54.97 54.19 2nqi s GLU 158 Cb 0.00 0.20 -0.01 0.00 -1.78 0.00 0.00 34.13 32.54 2nqi s GLU 158 CO 0.00 -0.10 1.34 -1.58 -0.49 0.00 0.00 175.26 174.43 2nqi s TRP 159 N -0.82 2.64 -0.08 1.61 0.52 -1.26 -0.76 118.94 120.79 2nqi s TRP 159 Ca -0.09 0.85 0.05 0.00 0.02 0.00 0.00 56.10 56.93 2nqi s TRP 159 Cb -0.05 -3.78 -0.01 0.00 -1.15 0.00 0.00 33.47 28.49 2nqi s TRP 159 CO 0.02 -1.94 -0.22 0.54 0.02 0.00 0.00 176.95 175.37 2nqi s VAL 160 N 4.16 2.27 -0.17 4.03 0.11 0.83 -1.88 120.40 129.75 2nqi s VAL 160 Ca 0.58 -0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 58.36 2nqi s VAL 160 Cb -0.20 -1.86 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 2nqi s VAL 160 CO 0.21 0.56 1.07 -0.62 -3.33 0.00 0.00 175.10 173.00 2nqi s ASP 161 N -0.01 7.12 -0.16 3.54 -1.08 0.54 -1.37 116.67 125.25 2nqi s ASP 161 Ca -0.07 1.51 -0.01 0.00 -0.52 0.00 0.00 52.55 53.46 2nqi s ASP 161 Cb -0.15 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.76 2nqi s ASP 161 CO 0.05 -0.60 -0.13 -0.69 0.52 0.00 0.00 175.17 174.32 2nqi s VAL 162 N 2.77 2.91 0.16 1.11 1.01 0.67 -0.23 120.40 128.80 2nqi s VAL 162 Ca 0.48 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 2nqi s VAL 162 Cb -0.18 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2nqi s VAL 162 CO 0.12 0.50 0.38 0.68 0.00 0.00 0.00 175.10 176.79 2nqi s VAL 163 N 0.77 5.17 0.05 2.92 -7.23 -1.26 -1.29 120.40 119.53 2nqi s VAL 163 Ca -0.05 -0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.11 2nqi s VAL 163 Cb -0.15 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 2nqi s VAL 163 CO 0.01 -0.01 -0.09 0.68 -0.31 0.00 0.00 175.10 175.37 2nqi s VAL 164 N -1.71 0.70 0.64 1.32 -7.23 -0.16 -4.97 120.40 108.98 2nqi s VAL 164 Ca 0.41 -1.16 -0.12 0.00 -1.81 0.00 0.00 61.98 59.29 2nqi s VAL 164 Cb -0.12 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 2nqi s VAL 164 CO 0.26 -0.35 1.04 1.51 -0.31 0.00 0.00 175.10 177.24 2nqi s ASP 165 N -1.66 5.91 -0.20 4.85 3.84 -1.26 -0.97 116.67 127.18 2nqi s ASP 165 Ca -0.07 1.54 0.08 0.00 -0.00 0.00 0.00 52.55 54.09 2nqi s ASP 165 Cb -0.10 -2.49 0.53 0.00 -1.38 0.00 0.00 42.92 39.49 2nqi s ASP 165 CO 0.01 -1.08 1.42 -0.90 -0.00 0.00 0.00 175.17 174.61 2nqi n ASP 166 N -2.73 4.05 -4.70 2.11 3.85 -0.76 -4.84 116.55 113.53 2nqi n ASP 166 Ca 0.07 -2.75 -0.42 0.00 -0.71 0.00 0.00 54.79 50.98 2nqi n ASP 166 Cb 0.54 -0.65 -0.03 0.00 -1.35 0.00 0.00 41.12 39.63 2nqi n ASP 166 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2nqi s LEU 167 N -1.96 4.34 0.06 -2.12 1.43 -1.26 -3.96 118.68 115.20 2nqi s LEU 167 Ca 0.37 2.19 0.08 0.00 -1.03 0.00 0.00 54.13 55.75 2nqi s LEU 167 Cb 0.29 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2nqi s LEU 167 CO 0.10 -0.71 -0.22 -0.76 0.23 0.00 0.00 176.35 175.00 2nqi s LEU 168 N 2.06 2.20 0.08 1.79 1.43 -0.48 -4.86 118.68 120.90 2nqi s LEU 168 Ca 0.65 -0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 2nqi s LEU 168 Cb -0.33 -0.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 2nqi s LEU 168 CO 0.28 0.15 1.50 -2.84 0.23 0.00 0.00 176.35 175.67 2nqi s PRO 169 N -1.38 4.25 0.14 1.29 0.02 -1.26 -1.78 135.00 136.28 2nqi s PRO 169 Ca 0.08 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.32 2nqi s PRO 169 Cb -0.09 -3.44 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 2nqi s PRO 169 CO 0.03 -0.59 -0.12 0.95 -0.33 0.00 0.00 177.00 176.93 2nqi s THR 170 N 1.96 1.29 -0.07 0.99 -4.23 0.20 -1.91 115.64 113.87 2nqi s THR 170 Ca 0.68 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2nqi s THR 170 Cb -0.37 -1.72 0.04 0.00 1.34 0.00 0.00 72.50 71.79 2nqi s THR 170 CO 0.30 -0.59 0.16 -0.75 -0.54 0.00 0.00 174.62 173.19 2nqi s LYS 171 N -3.26 0.08 -1.61 3.99 2.20 0.80 -1.00 119.74 120.94 2nqi s LYS 171 Ca 0.14 0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 56.03 2nqi s LYS 171 Cb -0.01 -0.20 0.12 0.00 -1.51 0.00 0.00 37.83 36.23 2nqi s LYS 171 CO 0.02 -0.20 0.85 -0.25 -0.36 0.00 0.00 175.35 175.41 2nqi n ASP 172 N 4.51 -3.73 0.00 1.43 10.43 -1.26 -1.47 116.55 126.46 2nqi n ASP 172 Ca -0.21 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.24 2nqi n ASP 172 Cb 0.51 -3.28 0.00 0.00 1.84 0.00 0.00 41.12 40.20 2nqi n ASP 172 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2nqi n GLY 173 N -1.56 0.63 3.38 0.44 0.00 -1.26 -5.02 105.19 101.80 2nqi n GLY 173 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2nqi n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nqi s LYS 174 N -0.16 2.09 0.24 1.61 -0.14 -0.54 -5.02 119.74 117.82 2nqi s LYS 174 Ca 0.00 -0.95 -0.31 0.00 -1.36 0.00 0.00 55.97 53.35 2nqi s LYS 174 Cb 0.00 -2.11 -0.14 0.00 -1.68 0.00 0.00 37.83 33.90 2nqi s LYS 174 CO 0.00 0.56 1.39 1.28 -0.76 0.00 0.00 175.35 177.81 2nqi n LEU 175 N 2.07 3.00 0.06 3.17 4.77 -1.26 -0.14 117.00 128.67 2nqi n LEU 175 Ca -0.16 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 56.78 2nqi n LEU 175 Cb 0.52 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.05 2nqi n LEU 175 CO 0.24 -0.55 -0.40 0.58 -1.33 0.00 0.00 177.39 175.93 2nqi h VAL 176 N 3.01 1.08 0.00 4.08 2.07 -1.71 -3.45 116.25 121.33 2nqi h VAL 176 Ca -0.45 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.36 2nqi h VAL 176 Cb 1.28 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 2nqi h VAL 176 CO 0.75 0.82 0.00 0.49 0.02 0.00 0.00 177.57 179.65 2nqi n PHE 177 N -3.48 0.00 -1.97 1.57 3.72 -1.26 -0.78 117.46 115.25 2nqi n PHE 177 Ca -0.19 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.82 2nqi n PHE 177 Cb 1.05 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.60 2nqi n PHE 177 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2nqi s VAL 178 N 4.41 2.45 0.17 -4.37 0.11 -1.26 -3.11 120.40 118.80 2nqi s VAL 178 Ca 0.00 0.38 -0.06 0.00 -2.93 0.00 0.00 61.98 59.37 2nqi s VAL 178 Cb 0.00 -3.22 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 2nqi s VAL 178 CO 0.00 0.04 0.23 -1.38 -3.33 0.00 0.00 175.10 170.67 2nqi s HIS 179 N -1.28 0.61 0.34 1.54 -3.43 -0.81 -4.45 115.29 107.80 2nqi s HIS 179 Ca 0.61 -0.95 -0.04 0.00 -0.80 0.00 0.00 55.06 53.87 2nqi s HIS 179 Cb -0.39 -0.19 -0.05 0.00 -1.43 0.00 0.00 32.58 30.52 2nqi s HIS 179 CO 0.49 -0.70 0.61 0.45 -2.00 0.00 0.00 174.74 173.60 2nqi s SER 180 N -3.02 6.39 0.51 7.38 0.15 -1.19 -0.85 113.70 123.08 2nqi s SER 180 Ca 0.23 0.73 0.21 0.00 0.70 0.00 0.00 55.95 57.82 2nqi s SER 180 Cb 0.04 -2.15 1.36 0.00 -1.71 0.00 0.00 66.02 63.56 2nqi s SER 180 CO 0.03 -0.30 2.11 0.00 1.20 0.00 0.00 173.24 176.28 2nqi h ALA 181 N 1.20 1.62 -1.64 5.45 0.00 -1.74 -3.35 119.26 120.79 2nqi h ALA 181 Ca -0.48 -0.08 -0.62 0.00 0.00 0.00 0.00 54.91 53.73 2nqi h ALA 181 Cb 1.20 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2nqi h ALA 181 CO 0.64 0.11 0.59 -0.65 0.00 0.00 0.00 179.25 179.94 2nqi s GLN 182 N -4.62 3.14 0.28 0.00 -0.21 -1.26 -4.91 119.66 112.08 2nqi s GLN 182 Ca -0.04 -0.73 0.20 0.00 0.02 0.00 0.00 55.36 54.81 2nqi s GLN 182 Cb 0.15 -4.21 1.05 0.00 1.00 0.00 0.00 33.01 31.00 2nqi s GLN 182 CO 0.63 -1.82 1.61 0.41 -2.12 0.00 0.00 175.29 174.00 2nqi n GLY 183 N 5.31 -0.88 1.47 3.09 0.00 -1.26 -0.95 105.19 111.98 2nqi n GLY 183 Ca -0.03 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.25 2nqi n GLY 183 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nqi n ASN 184 N -2.18 4.67 -4.61 1.61 2.04 -1.26 -4.95 115.26 110.57 2nqi n ASN 184 Ca -0.01 -2.57 -0.34 0.00 -0.44 0.00 0.00 54.58 51.22 2nqi n ASN 184 Cb 0.05 -0.56 -0.10 0.00 -2.53 0.00 0.00 39.78 36.63 2nqi n ASN 184 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 2nqi s GLU 185 N -2.06 3.55 0.00 -3.83 2.12 -0.12 -0.71 118.70 117.65 2nqi s GLU 185 Ca 0.48 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.39 2nqi s GLU 185 Cb 0.33 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.74 2nqi s GLU 185 CO 0.20 0.41 0.29 1.19 -0.54 0.00 0.00 175.26 176.81 2nqi n PHE 186 N 3.06 0.00 -0.33 5.30 3.72 -0.26 -4.30 117.46 124.66 2nqi n PHE 186 Ca -0.18 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.18 2nqi n PHE 186 Cb 0.53 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.15 2nqi n PHE 186 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 2nqi h TRP 187 N 0.00 1.21 -0.04 1.38 5.08 -1.48 -1.61 115.95 120.49 2nqi h TRP 187 Ca 0.00 -0.02 -0.17 0.00 1.08 0.00 0.00 58.89 59.78 2nqi h TRP 187 Cb 0.05 -0.39 -0.01 0.00 -3.00 0.00 0.00 29.16 25.81 2nqi h TRP 187 CO 0.00 0.83 -0.72 0.66 -1.28 0.00 0.00 178.44 177.93 2nqi h SER 188 N 1.23 0.29 -0.48 0.11 4.64 -1.86 0.95 113.55 118.42 2nqi h SER 188 Ca 0.31 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2nqi h SER 188 Cb 0.01 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2nqi h SER 188 CO -0.05 0.91 0.13 0.00 -0.87 0.00 0.00 176.83 176.95 2nqi h ALA 189 N 1.08 0.64 -0.31 5.18 0.00 -1.72 0.19 119.26 124.31 2nqi h ALA 189 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2nqi h ALA 189 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2nqi h ALA 189 CO 0.11 0.31 -0.44 -0.07 0.00 0.00 0.00 179.25 179.16 2nqi h LEU 190 N 0.65 0.87 -0.55 0.00 3.38 -1.10 -1.89 115.31 116.67 2nqi h LEU 190 Ca 0.15 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 2nqi h LEU 190 Cb 0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2nqi h LEU 190 CO -0.00 1.18 0.02 0.25 0.09 0.00 0.00 178.44 179.98 2nqi h LEU 191 N 0.65 0.93 -1.08 1.67 5.85 -0.66 -1.09 115.31 121.58 2nqi h LEU 191 Ca 0.04 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 2nqi h LEU 191 Cb 1.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2nqi h LEU 191 CO 0.10 1.00 0.29 -0.08 -0.34 0.00 0.00 178.44 179.41 2nqi h GLU 192 N 0.84 0.94 -0.41 1.25 4.81 -0.89 -0.53 114.58 120.60 2nqi h GLU 192 Ca 0.16 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2nqi h GLU 192 Cb 0.51 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2nqi h GLU 192 CO 0.02 0.75 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.71 2nqi h LYS 193 N 0.93 0.73 -0.13 1.92 3.64 -0.79 -0.50 116.57 122.37 2nqi h LYS 193 Ca 0.22 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 2nqi h LYS 193 Cb 0.14 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2nqi h LYS 193 CO -0.02 0.82 -0.52 0.00 -2.27 0.00 0.00 179.45 177.46 2nqi h ALA 194 N 1.21 0.88 -0.09 5.00 0.00 -0.52 -0.60 119.26 125.14 2nqi h ALA 194 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2nqi h ALA 194 Cb 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2nqi h ALA 194 CO 0.04 0.67 -0.12 -0.92 0.00 0.00 0.00 179.25 178.92 2nqi h TYR 195 N 0.28 0.29 -0.82 0.00 5.03 -0.91 -2.57 116.97 118.27 2nqi h TYR 195 Ca 0.01 -0.10 0.16 0.00 2.58 0.00 0.00 58.73 61.39 2nqi h TYR 195 Cb 1.00 -0.06 -0.15 0.00 1.55 0.00 0.00 36.73 39.07 2nqi h TYR 195 CO 0.03 0.70 -0.21 0.00 -1.32 0.00 0.00 178.16 177.36 2nqi h ALA 196 N 0.54 0.51 -0.42 1.82 0.00 -0.95 -2.63 119.26 118.14 2nqi h ALA 196 Ca 0.01 0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.31 2nqi h ALA 196 Cb 0.67 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2nqi h ALA 196 CO 0.03 -0.42 0.04 -0.22 0.00 0.00 0.00 179.25 178.68 2nqi h LYS 197 N -0.01 0.15 0.00 0.00 3.64 -0.92 -0.94 116.57 118.49 2nqi h LYS 197 Ca 0.39 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2nqi h LYS 197 Cb 0.60 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2nqi h LYS 197 CO -0.84 0.10 -0.15 -0.39 -2.27 0.00 0.00 179.45 175.89 2nqi h VAL 198 N 0.15 0.42 -0.41 2.00 -1.51 -1.15 -2.53 116.25 113.22 2nqi h VAL 198 Ca 0.21 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2nqi h VAL 198 Cb 0.28 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2nqi h VAL 198 CO -0.31 0.15 0.00 0.59 -1.23 0.00 0.00 177.57 176.77 2nqi n ASN 199 N -3.35 2.84 0.00 4.19 3.02 -0.70 -4.98 115.26 116.28 2nqi n ASN 199 Ca -0.00 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2nqi n ASN 199 Cb 0.36 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 2nqi n ASN 199 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nqi n GLY 200 N 1.37 2.85 3.60 7.41 0.00 -0.53 -4.75 105.19 115.14 2nqi n GLY 200 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2nqi n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nqi s SER 201 N 0.44 -0.05 0.21 1.61 1.04 -0.47 -4.73 113.70 111.75 2nqi s SER 201 Ca 0.00 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.28 2nqi s SER 201 Cb 0.00 0.08 0.16 0.00 0.10 0.00 0.00 66.02 66.36 2nqi s SER 201 CO 0.00 -0.15 1.88 1.88 0.98 0.00 0.00 173.24 177.83 2nqi h TYR 202 N 2.00 0.97 -0.64 5.02 -1.99 -0.85 -2.94 116.97 118.53 2nqi h TYR 202 Ca -0.22 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.54 2nqi h TYR 202 Cb 1.18 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 39.55 2nqi h TYR 202 CO 0.30 0.62 0.43 1.49 -0.00 0.00 0.00 178.16 181.00 2nqi h GLU 203 N 1.03 0.83 0.00 4.88 4.81 -0.81 -1.14 114.58 124.18 2nqi h GLU 203 Ca 0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2nqi h GLU 203 Cb -0.10 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.09 2nqi h GLU 203 CO -0.06 0.55 0.36 0.00 -0.73 0.00 0.00 179.01 179.14 2nqi h ALA 204 N 1.60 1.35 0.00 2.92 0.00 -1.79 0.56 119.26 123.90 2nqi h ALA 204 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2nqi h ALA 204 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2nqi h ALA 204 CO -0.06 -0.35 -0.66 1.28 0.00 0.00 0.00 179.25 179.47 2nqi n LEU 205 N -2.75 0.65 -4.55 0.00 4.77 -0.43 -4.84 117.00 109.84 2nqi n LEU 205 Ca -0.02 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.46 2nqi n LEU 205 Cb 0.41 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 2nqi n LEU 205 CO 0.12 0.16 1.44 -0.55 -1.33 0.00 0.00 177.39 177.22 2nqi s SER 206 N -3.04 5.57 0.00 -1.43 0.15 0.18 -3.93 113.70 111.20 2nqi s SER 206 Ca 0.10 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2nqi s SER 206 Cb 0.17 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2nqi s SER 206 CO 0.75 -2.25 0.00 0.61 1.20 0.00 0.00 173.24 173.55 2nqi n GLY 207 N 6.06 -0.32 0.00 9.45 0.00 0.15 -4.89 105.19 115.63 2nqi n GLY 207 Ca 0.23 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2nqi n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqi n GLY 208 N 1.99 1.26 3.01 -0.02 0.00 -1.26 -5.05 105.19 105.12 2nqi n GLY 208 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2nqi n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqi h THR 210 N 6.08 0.19 0.00 0.00 2.02 -1.97 0.89 112.91 120.12 2nqi h THR 210 Ca -0.37 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2nqi h THR 210 Cb 1.13 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2nqi h THR 210 CO 0.52 0.02 -0.07 0.28 0.37 0.00 0.00 175.52 176.64 2nqi h SER 211 N 0.12 0.00 -0.46 4.18 0.02 -1.95 -0.56 113.55 114.89 2nqi h SER 211 Ca 0.59 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.47 2nqi h SER 211 Cb 1.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 2nqi h SER 211 CO -0.76 0.07 0.03 -0.08 -1.14 0.00 0.00 176.83 174.96 2nqi h GLU 212 N 0.00 0.80 -0.17 3.45 4.81 -1.22 -0.99 114.58 121.26 2nqi h GLU 212 Ca -0.00 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2nqi h GLU 212 Cb 0.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2nqi h GLU 212 CO 0.01 0.83 0.05 0.00 -0.73 0.00 0.00 179.01 179.18 2nqi h ALA 213 N 0.93 0.22 -0.57 2.92 0.00 -1.14 -2.61 119.26 119.01 2nqi h ALA 213 Ca 0.14 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2nqi h ALA 213 Cb 0.45 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 2nqi h ALA 213 CO 0.02 -0.16 -0.29 0.74 0.00 0.00 0.00 179.25 179.56 2nqi h PHE 214 N 0.09 -0.77 -0.89 0.00 0.04 -1.08 -1.91 116.94 112.42 2nqi h PHE 214 Ca 0.05 0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.91 2nqi h PHE 214 Cb 0.23 0.42 -0.05 0.00 2.20 0.00 0.00 35.95 38.75 2nqi h PHE 214 CO -0.00 -0.36 0.59 0.93 -0.60 0.00 0.00 178.31 178.87 2nqi h GLU 215 N -0.14 1.15 0.00 1.51 5.08 -1.18 -2.37 114.58 118.63 2nqi h GLU 215 Ca 0.24 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2nqi h GLU 215 Cb 0.53 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2nqi h GLU 215 CO -0.65 0.76 0.00 -0.44 -1.00 0.00 0.00 179.01 177.68 2nqi h ASP 216 N 1.19 0.00 -0.00 1.42 3.45 -0.98 0.34 116.42 121.82 2nqi h ASP 216 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 2nqi h ASP 216 Cb -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 2nqi h ASP 216 CO -0.08 0.00 -0.88 0.49 -1.57 0.00 0.00 179.24 177.20 2nqi n PHE 217 N -2.46 0.00 0.00 4.55 3.72 -0.78 -0.08 117.46 122.42 2nqi n PHE 217 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2nqi n PHE 217 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2nqi n PHE 217 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2nqi n THR 218 N -1.16 0.00 -2.06 4.37 -2.24 -0.81 -4.85 114.28 107.52 2nqi n THR 218 Ca 0.05 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 2nqi n THR 218 Cb 0.36 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 2nqi n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nqi n GLY 219 N 1.13 0.48 3.98 3.38 0.00 0.11 -4.94 105.19 109.33 2nqi n GLY 219 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 2nqi n GLY 219 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nqi s GLY 220 N -2.37 1.76 -0.32 -0.02 0.00 -1.26 -4.91 107.32 100.19 2nqi s GLY 220 Ca 0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 44.72 42.88 2nqi s GLY 220 CO 0.00 -1.05 0.40 0.14 0.00 0.00 0.00 173.10 172.59 2nqi s VAL 221 N -3.33 5.14 -0.02 1.40 1.01 -0.62 -4.80 120.40 119.18 2nqi s VAL 221 Ca 0.69 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 2nqi s VAL 221 Cb -0.04 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 2nqi s VAL 221 CO 0.47 -0.05 0.42 0.42 0.00 0.00 0.00 175.10 176.35 2nqi s THR 222 N 2.11 5.04 0.14 3.92 -4.23 -1.26 -0.82 115.64 120.54 2nqi s THR 222 Ca 0.14 0.86 0.02 0.00 -1.18 0.00 0.00 61.69 61.53 2nqi s THR 222 Cb -0.16 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 2nqi s THR 222 CO 0.12 0.54 -0.04 -1.83 -0.54 0.00 0.00 174.62 172.87 2nqi s GLU 223 N -0.83 0.98 0.09 3.99 -1.05 0.04 -5.00 118.70 116.91 2nqi s GLU 223 Ca 0.24 -1.43 0.02 0.00 -0.15 0.00 0.00 54.97 53.65 2nqi s GLU 223 Cb -0.16 -0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.20 2nqi s GLU 223 CO 0.13 -0.05 -0.07 1.67 0.95 0.00 0.00 175.26 177.89 2nqi s TRP 224 N -3.60 0.88 -0.04 4.83 1.48 -1.26 -0.83 118.94 120.39 2nqi s TRP 224 Ca 0.17 -0.85 0.05 0.00 -1.06 0.00 0.00 56.10 54.42 2nqi s TRP 224 Cb 0.05 -0.51 -0.01 0.00 -1.16 0.00 0.00 33.47 31.85 2nqi s TRP 224 CO -0.00 -0.13 -0.20 0.71 -4.06 0.00 0.00 176.95 173.26 2nqi s TYR 225 N -3.29 1.97 -0.50 1.66 2.02 0.21 -4.97 117.35 114.46 2nqi s TYR 225 Ca 0.09 -0.55 -0.20 0.00 -0.37 0.00 0.00 57.07 56.04 2nqi s TYR 225 Cb 0.03 -1.31 0.05 0.00 -0.40 0.00 0.00 41.96 40.33 2nqi s TYR 225 CO -0.04 -0.17 0.68 0.34 -1.57 0.00 0.00 175.55 174.80 2nqi s ASP 226 N -0.10 6.26 0.45 2.29 3.68 -1.26 -2.01 116.67 125.98 2nqi s ASP 226 Ca -0.02 -0.72 0.31 0.00 2.13 0.00 0.00 52.55 54.25 2nqi s ASP 226 Cb -0.12 -2.32 1.31 0.00 -1.45 0.00 0.00 42.92 40.34 2nqi s ASP 226 CO 0.02 -0.93 1.91 -0.07 0.13 0.00 0.00 175.17 176.23 2nqi h LEU 227 N 9.93 0.00 -0.13 -1.34 3.38 -1.43 0.15 115.31 125.87 2nqi h LEU 227 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2nqi h LEU 227 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2nqi h LEU 227 CO 0.97 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.50 2nqi n GLN 228 N -2.76 1.09 -2.52 1.13 3.00 -1.26 -3.11 117.38 112.95 2nqi n GLN 228 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 2nqi n GLN 228 Cb 0.25 -1.32 0.05 0.00 0.00 0.00 0.00 30.24 29.22 2nqi n GLN 228 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2nqi n LYS 229 N -0.67 1.33 -1.96 -1.09 5.02 0.51 -5.12 118.16 116.17 2nqi n LYS 229 Ca 0.15 -2.87 -0.42 0.00 -2.02 0.00 0.00 58.31 53.16 2nqi n LYS 229 Cb 0.10 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 2nqi n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nqi s ALA 230 N -2.51 3.69 0.64 7.82 0.00 -1.05 -4.78 121.76 125.56 2nqi s ALA 230 Ca 0.25 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.41 2nqi s ALA 230 Cb 0.34 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2nqi s ALA 230 CO -0.07 -0.78 1.21 -1.25 0.00 0.00 0.00 175.76 174.86 2nqi s PRO 231 N 0.06 2.67 0.53 0.00 0.04 -1.26 -4.87 135.00 132.17 2nqi s PRO 231 Ca 0.63 1.80 0.35 0.00 0.04 0.00 0.00 61.00 63.82 2nqi s PRO 231 Cb -0.43 -1.89 1.70 0.00 0.04 0.00 0.00 34.50 33.92 2nqi s PRO 231 CO 0.40 -1.43 2.06 0.66 0.04 0.00 0.00 177.00 178.73 2nqi h SER 232 N 0.45 0.00 -0.55 6.66 4.64 -2.04 -1.43 113.55 121.28 2nqi h SER 232 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2nqi h SER 232 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2nqi h SER 232 CO 0.53 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.59 2nqi n ASP 233 N -2.88 4.70 -0.33 4.97 5.75 -1.26 -4.67 116.55 122.83 2nqi n ASP 233 Ca -0.01 -2.59 0.02 0.00 -0.01 0.00 0.00 54.79 52.20 2nqi n ASP 233 Cb 0.18 -0.60 0.16 0.00 -1.03 0.00 0.00 41.12 39.82 2nqi n ASP 233 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2nqi h LEU 234 N 3.59 0.91 -0.85 -2.12 5.85 -1.61 -1.97 115.31 119.11 2nqi h LEU 234 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2nqi h LEU 234 Cb 1.55 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2nqi h LEU 234 CO 0.31 0.58 0.46 0.22 -0.34 0.00 0.00 178.44 179.67 2nqi h TYR 235 N 1.05 1.18 -0.82 1.25 5.03 -1.85 -1.16 116.97 121.65 2nqi h TYR 235 Ca 0.40 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.66 2nqi h TYR 235 Cb 0.19 -0.38 -0.04 0.00 1.55 0.00 0.00 36.73 38.06 2nqi h TYR 235 CO -0.02 0.82 0.41 1.96 -1.32 0.00 0.00 178.16 180.01 2nqi h GLN 236 N 1.19 1.17 -0.59 1.82 1.08 -1.75 -0.51 115.11 117.52 2nqi h GLN 236 Ca 0.30 -0.16 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 2nqi h GLN 236 Cb 0.04 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 2nqi h GLN 236 CO -0.05 0.89 0.32 0.82 -0.95 0.00 0.00 178.83 179.87 2nqi h ILE 237 N 1.16 0.98 -0.14 2.54 2.04 -0.77 -1.45 117.51 121.87 2nqi h ILE 237 Ca 0.28 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2nqi h ILE 237 Cb 0.10 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2nqi h ILE 237 CO -0.04 0.11 -0.01 0.40 0.00 0.00 0.00 178.15 178.62 2nqi h ILE 238 N 0.61 1.26 -0.73 -0.67 2.04 -0.98 -1.46 117.51 117.59 2nqi h ILE 238 Ca 0.26 -0.86 0.13 0.00 1.00 0.00 0.00 64.86 65.38 2nqi h ILE 238 Cb 0.14 1.55 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 2nqi h ILE 238 CO -0.16 0.25 0.30 -0.07 0.00 0.00 0.00 178.15 178.47 2nqi h LEU 239 N -0.02 0.31 -0.04 1.44 3.38 -0.92 -1.00 115.31 118.46 2nqi h LEU 239 Ca 0.04 0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 2nqi h LEU 239 Cb 0.39 0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.21 2nqi h LEU 239 CO 0.01 0.14 -0.83 0.50 0.09 0.00 0.00 178.44 178.35 2nqi h LYS 240 N 0.47 0.63 -0.39 1.13 3.64 -1.16 -2.02 116.57 118.87 2nqi h LYS 240 Ca 0.39 -0.63 0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2nqi h LYS 240 Cb 0.54 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 2nqi h LYS 240 CO -0.36 1.23 0.16 0.00 -2.27 0.00 0.00 179.45 178.22 2nqi h ALA 241 N 0.41 0.48 -0.58 5.00 0.00 -1.11 -0.95 119.26 122.51 2nqi h ALA 241 Ca -0.09 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2nqi h ALA 241 Cb 1.49 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2nqi h ALA 241 CO 0.17 -0.21 0.06 -0.07 0.00 0.00 0.00 179.25 179.19 2nqi h LEU 242 N 0.34 0.91 -0.60 0.00 3.38 -1.16 0.09 115.31 118.28 2nqi h LEU 242 Ca 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2nqi h LEU 242 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2nqi h LEU 242 CO -0.16 0.93 0.23 -0.08 0.09 0.00 0.00 178.44 179.45 2nqi h GLU 243 N 0.89 0.90 0.00 1.13 4.57 -0.99 -2.19 114.58 118.89 2nqi h GLU 243 Ca 0.18 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2nqi h GLU 243 Cb 0.44 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2nqi h GLU 243 CO 0.02 0.78 0.00 2.89 -1.18 0.00 0.00 179.01 181.52 2nqi n ARG 244 N -4.45 0.61 -0.93 1.92 1.85 -0.39 -4.90 116.66 110.37 2nqi n ARG 244 Ca 0.03 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2nqi n ARG 244 Cb 0.18 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 2nqi n ARG 244 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2nqi n GLY 245 N 0.99 0.44 3.70 2.89 0.00 -0.83 -4.98 105.19 107.41 2nqi n GLY 245 Ca 0.17 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2nqi n GLY 245 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nqi s SER 246 N -2.90 3.63 -0.15 1.61 0.01 -0.03 -4.78 113.70 111.09 2nqi s SER 246 Ca 0.00 2.23 -0.08 0.00 1.31 0.00 0.00 55.95 59.41 2nqi s SER 246 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2nqi s SER 246 CO 0.00 -2.64 0.13 -0.76 0.41 0.00 0.00 173.24 170.38 2nqi s LEU 247 N -5.91 4.28 -0.01 2.44 1.43 -0.85 -4.61 118.68 115.45 2nqi s LEU 247 Ca 0.69 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2nqi s LEU 247 Cb -0.25 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2nqi s LEU 247 CO 0.52 0.32 -0.08 -0.76 0.23 0.00 0.00 176.35 176.58 2nqi s LEU 248 N -0.50 2.01 0.23 1.79 1.02 -1.26 -0.26 118.68 121.71 2nqi s LEU 248 Ca 0.12 -0.15 -0.09 0.00 0.02 0.00 0.00 54.13 54.03 2nqi s LEU 248 Cb -0.12 -0.43 -0.02 0.00 0.02 0.00 0.00 46.19 45.64 2nqi s LEU 248 CO 0.02 0.10 0.35 -0.83 0.02 0.00 0.00 176.35 176.01 2nqi s GLY 249 N -0.19 0.86 0.10 -3.19 0.00 -0.67 -1.17 107.32 103.05 2nqi s GLY 249 Ca 0.03 -1.17 -0.09 0.00 0.00 0.00 0.00 44.72 43.49 2nqi s GLY 249 CO -0.00 -0.90 0.21 0.00 0.00 0.00 0.00 173.10 172.41 2nqi s SER 251 N -2.87 -0.39 -0.35 0.00 1.04 -0.87 -0.73 113.70 109.54 2nqi s SER 251 Ca 0.06 -0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 2nqi s SER 251 Cb 0.04 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2nqi s SER 251 CO -0.10 -0.85 0.13 -0.63 0.98 0.00 0.00 173.24 172.77 2nqi s ILE 252 N -3.41 3.77 0.13 -1.02 1.01 -1.26 -1.20 121.20 119.21 2nqi s ILE 252 Ca 0.00 -1.23 -0.31 0.00 0.00 0.00 0.00 60.65 59.11 2nqi s ILE 252 Cb 0.00 -3.19 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 2nqi s ILE 252 CO -0.09 -0.25 1.59 0.21 0.00 0.00 0.00 174.94 176.40 2nqi s ASN 253 N 1.51 6.61 -0.56 3.58 2.47 -1.26 0.69 114.94 127.98 2nqi s ASN 253 Ca -0.01 2.55 -0.28 0.00 0.42 0.00 0.00 52.86 55.54 2nqi s ASN 253 Cb -0.20 -2.58 0.02 0.00 -1.45 0.00 0.00 41.25 37.04 2nqi s ASN 253 CO 0.02 -0.84 1.29 -0.51 -3.72 0.00 0.00 177.10 173.34 2nqi s ILE 254 N 1.71 3.93 0.06 -5.21 1.10 -1.26 -4.81 121.20 116.71 2nqi s ILE 254 Ca 0.71 0.83 -0.15 0.00 -0.51 0.00 0.00 60.65 61.53 2nqi s ILE 254 Cb -0.42 -4.59 -0.28 0.00 0.15 0.00 0.00 42.46 37.33 2nqi s ILE 254 CO 0.31 -1.24 1.12 0.28 -2.11 0.00 0.00 174.94 173.31 2nqi h SER 255 N 10.17 0.89 0.09 4.50 0.02 -2.02 -3.39 113.55 123.81 2nqi h SER 255 Ca -0.26 -0.80 -0.26 0.00 -0.84 0.00 0.00 61.79 59.63 2nqi h SER 255 Cb 1.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2nqi h SER 255 CO 1.18 1.60 -1.37 0.44 -1.14 0.00 0.00 176.83 177.53 2nqi h ASP 256 N 0.30 0.29 0.00 3.07 3.45 -1.97 -3.49 116.42 118.07 2nqi h ASP 256 Ca -0.17 -0.80 0.00 0.00 0.43 0.00 0.00 57.03 56.48 2nqi h ASP 256 Cb 1.86 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 40.53 2nqi h ASP 256 CO 0.23 1.59 0.00 0.00 -1.57 0.00 0.00 179.24 179.49 2nqi n ILE 257 N -4.01 0.00 0.00 0.35 0.00 -1.26 -4.83 119.36 109.60 2nqi n ILE 257 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.49 2nqi n ILE 257 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.49 2nqi n ILE 257 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2nqi n ARG 258 N 0.00 0.00 -1.33 9.51 1.85 -1.26 -5.00 116.66 120.42 2nqi n ARG 258 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 2nqi n ARG 258 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 2nqi n ARG 258 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2nqi n ASP 259 N 0.00 6.17 -0.78 2.89 10.43 -1.26 -0.87 116.55 133.12 2nqi n ASP 259 Ca 0.00 -3.02 -0.03 0.00 2.57 0.00 0.00 54.79 54.31 2nqi n ASP 259 Cb 0.00 -1.27 -0.03 0.00 1.84 0.00 0.00 41.12 41.66 2nqi n ASP 259 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2nqi n LEU 260 N 1.24 -0.39 0.00 0.64 7.94 -1.26 -5.06 117.00 120.11 2nqi n LEU 260 Ca 0.46 -1.51 0.00 0.00 -1.11 0.00 0.00 56.01 53.85 2nqi n LEU 260 Cb 0.64 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.59 2nqi n LEU 260 CO 0.28 1.16 0.00 -0.62 -1.11 0.00 0.00 177.39 177.09 2nqi n GLU 261 N 0.03 0.00 0.10 1.96 -0.58 -0.05 -4.78 120.64 117.31 2nqi n GLU 261 Ca -0.12 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.57 2nqi n GLU 261 Cb 0.64 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.62 2nqi n GLU 261 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nqi h ALA 262 N 0.00 0.83 -3.02 0.62 0.00 -1.95 -3.43 119.26 112.31 2nqi h ALA 262 Ca 0.00 -0.58 -0.63 0.00 0.00 0.00 0.00 54.91 53.69 2nqi h ALA 262 Cb 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.53 2nqi h ALA 262 CO 0.00 0.78 -0.54 0.42 0.00 0.00 0.00 179.25 179.91 2nqi s ILE 263 N -3.61 5.07 1.11 0.00 1.01 -1.26 -0.56 121.20 122.96 2nqi s ILE 263 Ca -0.03 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.55 2nqi s ILE 263 Cb 0.12 -3.37 0.24 0.00 0.01 0.00 0.00 42.46 39.46 2nqi s ILE 263 CO 0.79 0.33 1.08 0.42 0.00 0.00 0.00 174.94 177.56 2nqi s THR 264 N 1.32 1.83 0.44 2.92 -4.23 0.58 -4.91 115.64 113.59 2nqi s THR 264 Ca 0.07 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.72 2nqi s THR 264 Cb -0.15 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.44 2nqi s THR 264 CO 0.06 0.00 1.98 -0.26 -0.54 0.00 0.00 174.62 175.86 2nqi h PHE 265 N -2.29 0.00 -0.78 3.99 0.04 -1.90 -2.44 116.94 113.55 2nqi h PHE 265 Ca -0.52 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.00 2nqi h PHE 265 Cb 1.32 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.32 2nqi h PHE 265 CO -0.69 0.20 0.32 1.63 -0.60 0.00 0.00 178.31 179.16 2nqi n LYS 266 N -4.29 3.65 -2.09 1.51 4.76 -1.26 -4.92 118.16 115.51 2nqi n LYS 266 Ca -0.02 -3.10 -0.10 0.00 -2.87 0.00 0.00 58.31 52.22 2nqi n LYS 266 Cb 0.26 -2.23 -0.01 0.00 -1.84 0.00 0.00 35.03 31.21 2nqi n LYS 266 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2nqi n ASN 267 N -0.23 -3.36 -4.91 4.39 5.15 -0.92 0.02 115.26 115.39 2nqi n ASN 267 Ca 0.43 0.02 -0.28 0.00 -0.60 0.00 0.00 54.58 54.15 2nqi n ASN 267 Cb 1.44 -2.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.11 2nqi n ASN 267 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2nqi s LEU 268 N -2.72 4.07 -0.25 1.20 1.43 -1.26 -3.62 118.68 117.55 2nqi s LEU 268 Ca 0.00 0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 2nqi s LEU 268 Cb 0.00 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2nqi s LEU 268 CO 0.00 -0.18 0.06 -0.69 0.23 0.00 0.00 176.35 175.76 2nqi s VAL 269 N -2.08 4.21 0.58 -1.59 1.01 -1.26 -0.31 120.40 120.97 2nqi s VAL 269 Ca 0.43 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 2nqi s VAL 269 Cb -0.11 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 2nqi s VAL 269 CO 0.30 0.35 1.03 -0.13 0.00 0.00 0.00 175.10 176.65 2nqi s ARG 270 N 1.59 3.52 -1.19 2.72 0.52 0.27 -3.91 118.95 122.47 2nqi s ARG 270 Ca 0.06 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.30 2nqi s ARG 270 Cb -0.15 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.25 2nqi s ARG 270 CO 0.03 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.12 2nqi n GLY 271 N -1.55 -0.26 3.14 -3.53 0.00 0.22 -4.92 105.19 98.28 2nqi n GLY 271 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2nqi n GLY 271 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2nqi s HIS 272 N -2.60 1.83 0.11 1.61 5.04 -1.25 -5.01 115.29 115.01 2nqi s HIS 272 Ca 0.00 -0.58 -0.28 0.00 -1.54 0.00 0.00 55.06 52.65 2nqi s HIS 272 Cb 0.00 -1.24 -0.06 0.00 0.04 0.00 0.00 32.58 31.32 2nqi s HIS 272 CO 0.00 -0.22 0.90 0.00 -2.34 0.00 0.00 174.74 173.08 2nqi s ALA 273 N 0.16 3.30 0.10 1.58 0.00 -1.26 -4.42 121.76 121.22 2nqi s ALA 273 Ca -0.07 0.49 0.10 0.00 0.00 0.00 0.00 51.96 52.48 2nqi s ALA 273 Cb -0.13 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2nqi s ALA 273 CO 0.03 0.04 -0.23 0.71 0.00 0.00 0.00 175.76 176.32 2nqi s TYR 274 N -0.21 2.42 0.02 0.00 1.51 0.10 -4.30 117.35 116.89 2nqi s TYR 274 Ca 0.43 -0.33 -0.24 0.00 -1.01 0.00 0.00 57.07 55.92 2nqi s TYR 274 Cb -0.23 -1.33 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 2nqi s TYR 274 CO 0.28 0.32 0.74 -1.12 -1.11 0.00 0.00 175.55 174.66 2nqi s SER 275 N -1.91 7.15 -0.21 2.29 0.01 -0.60 -0.87 113.70 119.56 2nqi s SER 275 Ca 0.15 1.38 -0.24 0.00 1.31 0.00 0.00 55.95 58.55 2nqi s SER 275 Cb -0.10 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2nqi s SER 275 CO 0.07 0.01 0.77 -0.69 0.41 0.00 0.00 173.24 173.81 2nqi s VAL 276 N 0.05 4.90 -0.03 3.43 1.01 -0.32 -0.59 120.40 128.85 2nqi s VAL 276 Ca 0.38 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.85 2nqi s VAL 276 Cb -0.20 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2nqi s VAL 276 CO 0.22 0.01 0.04 0.35 0.00 0.00 0.00 175.10 175.71 2nqi n THR 277 N 4.96 0.00 -3.55 3.92 -2.24 0.03 -4.45 114.28 112.95 2nqi n THR 277 Ca 0.03 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2nqi n THR 277 Cb 0.48 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 2nqi n THR 277 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nqi s ASP 278 N -1.61 -0.46 -0.12 3.42 -1.08 -1.03 -4.95 116.67 110.84 2nqi s ASP 278 Ca 0.00 -0.17 -0.04 0.00 -0.52 0.00 0.00 52.55 51.82 2nqi s ASP 278 Cb 0.01 0.61 0.06 0.00 -1.46 0.00 0.00 42.92 42.14 2nqi s ASP 278 CO 0.05 -1.04 0.23 0.00 0.52 0.00 0.00 175.17 174.93 2nqi s ALA 279 N -3.73 -0.44 0.02 3.66 0.00 -1.26 -0.38 121.76 119.63 2nqi s ALA 279 Ca 0.04 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 2nqi s ALA 279 Cb -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2nqi s ALA 279 CO -0.07 -0.63 -0.00 0.15 0.00 0.00 0.00 175.76 175.20 2nqi s LYS 280 N 2.39 0.32 -0.17 0.00 -0.14 -0.76 -4.98 119.74 116.39 2nqi s LYS 280 Ca 0.02 -0.54 -0.09 0.00 -1.36 0.00 0.00 55.97 54.00 2nqi s LYS 280 Cb -0.12 0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 36.10 2nqi s LYS 280 CO -0.08 -0.06 0.12 -0.65 -0.76 0.00 0.00 175.35 173.92 2nqi s GLN 281 N -1.36 3.91 0.24 1.68 1.11 -1.26 -0.35 119.66 123.63 2nqi s GLN 281 Ca -0.15 -0.22 0.10 0.00 0.01 0.00 0.00 55.36 55.10 2nqi s GLN 281 Cb -0.09 -3.31 -0.04 0.00 -1.01 0.00 0.00 33.01 28.56 2nqi s GLN 281 CO -0.01 0.45 -0.07 0.14 0.01 0.00 0.00 175.29 175.81 2nqi s VAL 282 N -0.07 3.18 -0.44 1.09 -7.23 -0.16 -4.92 120.40 111.85 2nqi s VAL 282 Ca 0.10 -1.90 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 2nqi s VAL 282 Cb -0.11 -2.65 0.06 0.00 0.56 0.00 0.00 36.38 34.24 2nqi s VAL 282 CO 0.00 -0.28 0.33 -0.89 -0.31 0.00 0.00 175.10 173.96 2nqi s THR 283 N -2.11 4.93 -0.32 5.32 2.01 -1.26 -0.22 115.64 123.98 2nqi s THR 283 Ca 0.29 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 2nqi s THR 283 Cb -0.07 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.56 2nqi s THR 283 CO 0.17 -0.49 0.08 -0.47 -0.69 0.00 0.00 174.62 173.22 2nqi s TYR 284 N 1.59 3.23 -1.36 4.92 6.14 0.22 -3.85 117.35 128.25 2nqi s TYR 284 Ca 0.04 -1.42 -0.05 0.00 0.64 0.00 0.00 57.07 56.28 2nqi s TYR 284 Cb -0.23 -2.24 0.00 0.00 0.42 0.00 0.00 41.96 39.91 2nqi s TYR 284 CO 0.06 -0.72 0.48 1.04 0.64 0.00 0.00 175.55 177.05 2nqi n GLN 285 N 4.79 -2.83 -0.95 4.97 6.02 -0.70 -1.36 117.38 127.33 2nqi n GLN 285 Ca -0.13 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2nqi n GLN 285 Cb 0.45 -4.38 0.00 0.00 1.02 0.00 0.00 30.24 27.33 2nqi n GLN 285 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nqi n GLY 286 N -1.95 0.27 3.26 1.08 0.00 -1.26 -5.00 105.19 101.60 2nqi n GLY 286 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2nqi n GLY 286 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2nqi s GLN 287 N -0.98 2.63 0.27 1.61 2.00 -0.46 -5.08 119.66 119.64 2nqi s GLN 287 Ca 0.00 -0.90 -0.30 0.00 -2.00 0.00 0.00 55.36 52.16 2nqi s GLN 287 Cb 0.00 -2.19 -0.10 0.00 0.80 0.00 0.00 33.01 31.52 2nqi s GLN 287 CO 0.00 0.35 1.38 0.50 -0.50 0.00 0.00 175.29 177.02 2nqi s ARG 288 N -0.09 4.31 -0.09 1.67 3.52 -1.26 0.72 118.95 127.73 2nqi s ARG 288 Ca -0.06 2.24 -0.01 0.00 -0.13 0.00 0.00 55.73 57.77 2nqi s ARG 288 Cb -0.14 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2nqi s ARG 288 CO 0.05 -0.33 -0.03 0.08 -0.81 0.00 0.00 175.30 174.25 2nqi s VAL 289 N -0.31 0.64 -0.12 7.11 1.01 0.70 -4.87 120.40 124.56 2nqi s VAL 289 Ca 0.56 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2nqi s VAL 289 Cb -0.40 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2nqi s VAL 289 CO 0.45 0.30 1.34 0.20 0.00 0.00 0.00 175.10 177.40 2nqi s ASN 290 N 1.84 6.89 0.21 3.32 0.02 -1.26 -0.99 114.94 124.97 2nqi s ASN 290 Ca 0.05 1.84 0.09 0.00 -1.02 0.00 0.00 52.86 53.82 2nqi s ASN 290 Cb -0.12 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.56 2nqi s ASN 290 CO -0.06 -0.77 -0.04 -0.76 0.02 0.00 0.00 177.10 175.49 2nqi s LEU 291 N 3.39 3.15 -0.00 0.60 1.43 0.53 -0.36 118.68 127.42 2nqi s LEU 291 Ca 0.59 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2nqi s LEU 291 Cb -0.25 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2nqi s LEU 291 CO 0.19 0.06 -0.06 -0.51 0.23 0.00 0.00 176.35 176.26 2nqi s ILE 292 N -1.93 0.47 -0.09 -0.59 2.07 -0.41 -1.83 121.20 118.89 2nqi s ILE 292 Ca 0.28 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 2nqi s ILE 292 Cb -0.08 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 2nqi s ILE 292 CO 0.18 0.13 -0.10 -0.60 -1.91 0.00 0.00 174.94 172.64 2nqi s ARG 293 N -0.15 2.95 0.16 3.50 3.52 0.49 -1.10 118.95 128.31 2nqi s ARG 293 Ca 0.02 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 2nqi s ARG 293 Cb -0.02 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 2nqi s ARG 293 CO -0.00 0.50 -0.00 -1.64 -0.81 0.00 0.00 175.30 173.35 2nqi s MET 294 N -0.38 1.04 -0.06 5.12 -1.94 -0.53 -0.79 119.30 121.76 2nqi s MET 294 Ca 0.05 -1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 52.53 2nqi s MET 294 Cb -0.12 -0.18 0.03 0.00 2.01 0.00 0.00 34.83 36.56 2nqi s MET 294 CO 0.02 -0.13 0.01 0.50 -0.01 0.00 0.00 175.02 175.41 2nqi s ARG 295 N -3.92 0.46 -0.10 2.03 3.52 0.24 -1.35 118.95 119.83 2nqi s ARG 295 Ca 0.22 0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.66 2nqi s ARG 295 Cb 0.06 -0.81 -0.05 0.00 -1.56 0.00 0.00 34.95 32.59 2nqi s ARG 295 CO 0.02 -0.27 1.63 1.21 -0.81 0.00 0.00 175.30 177.08 2nqi s ASN 296 N 1.80 6.59 0.00 -2.12 3.84 0.10 -1.56 114.94 123.60 2nqi s ASN 296 Ca 0.02 2.04 0.05 0.00 0.21 0.00 0.00 52.86 55.18 2nqi s ASN 296 Cb -0.13 -2.53 0.25 0.00 -0.55 0.00 0.00 41.25 38.29 2nqi s ASN 296 CO -0.04 -1.01 1.00 -0.81 -2.79 0.00 0.00 177.10 173.45 2nqi n PRO 297 N 7.25 0.07 0.29 0.43 -0.04 -1.26 -0.86 135.00 140.88 2nqi n PRO 297 Ca 0.18 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 2nqi n PRO 297 Cb 0.44 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.25 2nqi n PRO 297 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2nqi h TRP 298 N 0.00 0.00 -0.00 0.54 6.55 -1.90 -1.09 115.95 120.05 2nqi h TRP 298 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 2nqi h TRP 298 Cb 0.05 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.35 2nqi h TRP 298 CO 0.00 0.03 -0.00 0.41 -1.05 0.00 0.00 178.44 177.83 2nqi n GLY 299 N -1.19 0.46 3.83 1.49 0.00 -0.04 -4.17 105.19 105.58 2nqi n GLY 299 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 2nqi n GLY 299 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nqi s GLU 300 N -0.18 1.78 -0.03 1.61 -1.05 -1.26 -2.79 118.70 116.78 2nqi s GLU 300 Ca 0.00 -1.04 -0.00 0.00 -0.15 0.00 0.00 54.97 53.77 2nqi s GLU 300 Cb 0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 2nqi s GLU 300 CO 0.00 -0.82 0.00 0.28 0.95 0.00 0.00 175.26 175.67 2nqi n VAL 301 N -0.49 -3.06 -4.58 1.83 0.31 -1.26 -4.52 118.33 106.55 2nqi n VAL 301 Ca -0.05 0.18 -0.30 0.00 -0.01 0.00 0.00 64.34 64.16 2nqi n VAL 301 Cb 0.60 -4.20 -0.13 0.00 -0.91 0.00 0.00 33.84 29.20 2nqi n VAL 301 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nqi s GLU 302 N -0.27 1.86 0.03 5.55 2.02 -1.26 -4.81 118.70 121.82 2nqi s GLU 302 Ca -0.00 -1.11 -0.26 0.00 0.02 0.00 0.00 54.97 53.62 2nqi s GLU 302 Cb 0.00 -2.09 -0.13 0.00 0.10 0.00 0.00 34.13 32.00 2nqi s GLU 302 CO 0.07 0.51 0.66 1.87 0.02 0.00 0.00 175.26 178.39 2nqi n TRP 303 N 1.31 0.27 -0.42 1.61 -0.00 -1.24 -4.64 117.44 114.33 2nqi n TRP 303 Ca -0.16 0.72 0.05 0.00 -0.00 0.00 0.00 57.50 58.11 2nqi n TRP 303 Cb 0.52 -1.43 0.11 0.00 -0.00 0.00 0.00 31.31 30.51 2nqi n TRP 303 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2nqi n LYS 304 N 0.96 2.60 -0.19 5.87 5.02 0.10 -4.64 118.16 127.88 2nqi n LYS 304 Ca 0.14 -2.08 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 2nqi n LYS 304 Cb 0.08 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2nqi n LYS 304 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nqi n GLY 305 N -0.42 0.14 3.63 0.72 0.00 -1.26 -4.89 105.19 103.10 2nqi n GLY 305 Ca 0.10 -1.81 -0.49 0.00 0.00 0.00 0.00 46.02 43.81 2nqi n GLY 305 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nqi n PRO 306 N -0.51 1.59 -0.28 1.61 -0.02 -1.26 -2.40 135.00 133.74 2nqi n PRO 306 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2nqi n PRO 306 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2nqi n PRO 306 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2nqi n TRP 307 N 2.82 0.00 -0.69 6.00 7.02 -1.26 -4.28 117.44 127.05 2nqi n TRP 307 Ca 0.17 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.34 2nqi n TRP 307 Cb 0.24 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.29 2nqi n TRP 307 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2nqi n SER 308 N 0.00 0.11 -0.32 -0.99 3.41 -1.01 -3.97 113.62 110.85 2nqi n SER 308 Ca 0.00 0.41 0.19 0.00 -0.26 0.00 0.00 58.87 59.22 2nqi n SER 308 Cb 0.00 -1.45 0.45 0.00 -0.26 0.00 0.00 64.21 62.94 2nqi n SER 308 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2nqi h ASP 309 N -1.85 0.56 -0.59 4.04 3.45 -1.89 -0.65 116.42 119.48 2nqi h ASP 309 Ca -0.43 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.12 2nqi h ASP 309 Cb 1.27 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 2nqi h ASP 309 CO 0.40 0.14 0.00 0.59 -1.57 0.00 0.00 179.24 178.80 2nqi n ASN 310 N -4.69 4.39 -4.83 6.45 5.03 -1.26 -4.81 115.26 115.54 2nqi n ASN 310 Ca 0.25 -2.39 -0.31 0.00 0.87 0.00 0.00 54.58 52.99 2nqi n ASN 310 Cb 0.77 -0.52 0.03 0.00 -1.02 0.00 0.00 39.78 39.04 2nqi n ASN 310 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2nqi s SER 311 N -1.02 5.69 0.41 6.41 1.04 -0.25 -4.95 113.70 121.02 2nqi s SER 311 Ca 0.47 1.61 0.22 0.00 0.48 0.00 0.00 55.95 58.72 2nqi s SER 311 Cb 0.30 -2.50 0.74 0.00 0.10 0.00 0.00 66.02 64.66 2nqi s SER 311 CO 0.23 -1.24 1.75 1.88 0.98 0.00 0.00 173.24 176.85 2nqi h TYR 312 N -0.36 0.00 -1.04 5.02 0.99 -1.93 -3.34 116.97 116.31 2nqi h TYR 312 Ca -0.44 0.00 0.28 0.00 2.00 0.00 0.00 58.73 60.56 2nqi h TYR 312 Cb 1.21 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 38.86 2nqi h TYR 312 CO 0.62 0.28 0.70 0.93 -0.00 0.00 0.00 178.16 180.69 2nqi h GLU 313 N 0.00 0.24 0.00 4.88 3.07 -1.93 0.29 114.58 121.14 2nqi h GLU 313 Ca -0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2nqi h GLU 313 Cb 0.87 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2nqi h GLU 313 CO 0.04 0.16 -0.23 -1.49 -1.40 0.00 0.00 179.01 176.08 2nqi h TRP 314 N 0.25 0.00 -0.04 4.33 4.06 -1.94 -2.32 115.95 120.30 2nqi h TRP 314 Ca 0.55 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.51 2nqi h TRP 314 Cb 1.67 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.83 2nqi h TRP 314 CO -0.00 0.23 0.10 -0.91 -3.56 0.00 0.00 178.44 174.30 2nqi h ASN 315 N 0.00 0.00 -0.32 -3.49 2.35 -0.66 -3.14 115.58 110.32 2nqi h ASN 315 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nqi h ASN 315 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2nqi h ASN 315 CO 0.03 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.10 2nqi n LYS 316 N -3.36 2.41 -4.08 0.81 4.01 -0.87 -4.95 118.16 112.13 2nqi n LYS 316 Ca -0.02 -1.95 -0.23 0.00 -0.51 0.00 0.00 58.31 55.60 2nqi n LYS 316 Cb 0.18 -1.30 -0.04 0.00 -0.51 0.00 0.00 35.03 33.36 2nqi n LYS 316 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2nqi s VAL 317 N -1.01 4.62 0.46 -0.18 -7.23 -1.19 -1.71 120.40 114.16 2nqi s VAL 317 Ca 0.24 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 58.97 2nqi s VAL 317 Cb 0.13 -3.45 -0.07 0.00 0.56 0.00 0.00 36.38 33.55 2nqi s VAL 317 CO 0.18 -0.25 1.32 1.51 -0.31 0.00 0.00 175.10 177.55 2nqi s ASP 318 N -3.58 5.92 0.37 4.85 1.47 -1.25 -4.81 116.67 119.64 2nqi s ASP 318 Ca 0.32 2.69 0.14 0.00 1.18 0.00 0.00 52.55 56.88 2nqi s ASP 318 Cb -0.09 -2.64 0.98 0.00 -0.34 0.00 0.00 42.92 40.84 2nqi s ASP 318 CO 0.25 -1.12 1.78 1.55 0.68 0.00 0.00 175.17 178.32 2nqi h PRO 319 N 2.19 0.50 -0.70 2.11 0.13 -1.96 -1.72 132.00 132.55 2nqi h PRO 319 Ca -0.50 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 2nqi h PRO 319 Cb 1.26 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2nqi h PRO 319 CO 0.60 0.33 0.14 -0.92 -0.23 0.00 0.00 178.00 177.93 2nqi h TYR 320 N 0.51 1.20 -0.62 1.56 5.03 -2.00 -1.93 116.97 120.73 2nqi h TYR 320 Ca 0.57 -0.16 -0.08 0.00 2.58 0.00 0.00 58.73 61.65 2nqi h TYR 320 Cb 1.25 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 2nqi h TYR 320 CO -0.00 0.99 0.08 0.93 -1.32 0.00 0.00 178.16 178.83 2nqi h GLU 321 N 1.07 1.04 -0.46 1.82 5.08 -1.69 -2.28 114.58 119.16 2nqi h GLU 321 Ca 0.22 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2nqi h GLU 321 Cb 0.41 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2nqi h GLU 321 CO 0.01 0.98 0.08 -0.09 -1.00 0.00 0.00 179.01 178.99 2nqi h ARG 322 N 0.94 0.71 0.06 2.33 2.43 -1.20 -0.94 114.38 118.72 2nqi h ARG 322 Ca 0.19 -0.15 -0.25 0.00 -0.81 0.00 0.00 59.98 58.96 2nqi h ARG 322 Cb 0.46 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2nqi h ARG 322 CO 0.02 0.67 -1.16 1.05 -1.51 0.00 0.00 179.97 179.04 2nqi h GLU 323 N 0.69 0.14 -0.13 0.20 4.11 -1.32 -1.02 114.58 117.24 2nqi h GLU 323 Ca 0.15 -0.23 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 2nqi h GLU 323 Cb 0.31 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2nqi h GLU 323 CO 0.00 1.09 -0.42 1.96 0.07 0.00 0.00 179.01 181.72 2nqi h GLN 324 N 0.04 0.30 0.00 1.06 1.08 -1.10 -3.41 115.11 113.07 2nqi h GLN 324 Ca -0.09 -0.15 -0.23 0.00 -1.45 0.00 0.00 58.65 56.74 2nqi h GLN 324 Cb 1.88 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.28 2nqi h GLN 324 CO 0.16 0.67 -1.78 1.28 -0.95 0.00 0.00 178.83 178.21 2nqi n LEU 325 N -4.02 1.56 -4.72 1.46 4.77 -0.39 -4.98 117.00 110.69 2nqi n LEU 325 Ca -0.02 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 2nqi n LEU 325 Cb 0.49 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 2nqi n LEU 325 CO 0.42 0.42 0.63 -0.60 -1.33 0.00 0.00 177.39 176.93 2nqi s ARG 326 N -2.26 4.56 -0.21 3.23 3.52 -0.39 -5.02 118.95 122.38 2nqi s ARG 326 Ca -0.19 1.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 2nqi s ARG 326 Cb 0.07 -3.44 0.05 0.00 -1.56 0.00 0.00 34.95 30.07 2nqi s ARG 326 CO 0.27 0.03 -0.07 0.08 -0.81 0.00 0.00 175.30 174.80 2nqi s VAL 327 N 0.75 1.48 -0.80 7.11 1.01 -1.26 -4.72 120.40 123.98 2nqi s VAL 327 Ca 0.49 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 2nqi s VAL 327 Cb -0.21 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.55 2nqi s VAL 327 CO 0.27 0.01 1.18 -0.54 0.00 0.00 0.00 175.10 176.02 2nqi s LYS 328 N 1.44 3.31 -0.28 2.72 1.02 -1.26 -4.86 119.74 121.83 2nqi s LYS 328 Ca -0.04 -0.86 -0.23 0.00 0.02 0.00 0.00 55.97 54.86 2nqi s LYS 328 Cb -0.18 -4.55 0.09 0.00 -0.52 0.00 0.00 37.83 32.68 2nqi s LYS 328 CO -0.07 -1.99 0.81 1.41 -0.92 0.00 0.00 175.35 174.60 2nqi s MET 329 N 4.52 0.70 -1.26 1.68 1.75 -1.26 -5.07 119.30 120.36 2nqi s MET 329 Ca 0.32 0.91 -0.19 0.00 -1.25 0.00 0.00 55.69 55.48 2nqi s MET 329 Cb -0.09 0.30 0.04 0.00 2.84 0.00 0.00 34.83 37.93 2nqi s MET 329 CO 0.04 -0.10 1.75 -2.00 -0.65 0.00 0.00 175.02 174.07 2nqi s GLU 330 N 0.61 3.73 0.00 4.11 2.56 -1.26 -4.60 118.70 123.85 2nqi s GLU 330 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 54.97 53.15 2nqi s GLU 330 Cb -0.05 -5.48 0.00 0.00 2.00 0.00 0.00 34.13 30.60 2nqi s GLU 330 CO -0.05 -2.52 0.72 -0.40 -0.56 0.00 0.00 175.26 172.45 2nqi n ASP 331 N 9.36 1.43 0.00 -1.70 5.68 -1.25 -4.67 116.55 125.39 2nqi n ASP 331 Ca 0.47 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 2nqi n ASP 331 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2nqi n ASP 331 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2nqi n GLY 332 N -0.23 2.39 3.65 6.12 0.00 -1.12 -4.13 105.19 111.88 2nqi n GLY 332 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2nqi n GLY 332 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nqi s GLU 333 N -0.47 3.36 0.24 1.61 2.12 -1.26 0.02 118.70 124.32 2nqi s GLU 333 Ca 0.00 -0.39 -0.20 0.00 0.36 0.00 0.00 54.97 54.74 2nqi s GLU 333 Cb 0.00 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.48 2nqi s GLU 333 CO 0.00 0.53 0.64 -0.59 -0.54 0.00 0.00 175.26 175.30 2nqi s PHE 334 N -0.40 -0.17 0.05 5.30 -0.12 -0.46 -4.94 117.98 117.24 2nqi s PHE 334 Ca 0.08 -0.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.74 2nqi s PHE 334 Cb -0.12 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 2nqi s PHE 334 CO 0.02 -1.09 0.16 -1.58 -0.05 0.00 0.00 175.22 172.68 2nqi s TRP 335 N -3.90 3.43 0.06 3.49 0.52 -1.25 -1.45 118.94 119.84 2nqi s TRP 335 Ca 0.10 0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.47 2nqi s TRP 335 Cb -0.04 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 2nqi s TRP 335 CO 0.02 0.58 -0.08 -1.64 0.02 0.00 0.00 176.95 175.85 2nqi s MET 336 N -2.32 0.65 0.51 4.98 -1.94 -0.26 -3.61 119.30 117.32 2nqi s MET 336 Ca 0.31 -0.96 -0.22 0.00 -1.71 0.00 0.00 55.69 53.11 2nqi s MET 336 Cb -0.13 -0.30 -0.06 0.00 2.01 0.00 0.00 34.83 36.35 2nqi s MET 336 CO 0.24 0.04 1.23 -1.54 -0.01 0.00 0.00 175.02 174.97 2nqi s SER 337 N -2.08 5.71 0.32 3.03 1.04 -1.26 -1.29 113.70 119.16 2nqi s SER 337 Ca -0.02 2.45 0.06 0.00 0.48 0.00 0.00 55.95 58.92 2nqi s SER 337 Cb -0.05 -2.61 0.74 0.00 0.10 0.00 0.00 66.02 64.20 2nqi s SER 337 CO -0.01 -1.24 1.81 0.15 0.98 0.00 0.00 173.24 174.92 2nqi h PHE 338 N 1.63 1.00 -0.22 5.02 3.57 -1.00 0.88 116.94 127.83 2nqi h PHE 338 Ca -0.50 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.06 2nqi h PHE 338 Cb 1.27 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2nqi h PHE 338 CO 0.50 0.29 0.01 -0.09 -2.23 0.00 0.00 178.31 176.79 2nqi h ARG 339 N 0.78 0.08 -0.43 1.11 2.43 -1.91 -1.51 114.38 114.92 2nqi h ARG 339 Ca 0.53 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.56 2nqi h ARG 339 Cb 0.81 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2nqi h ARG 339 CO -0.31 0.05 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.47 2nqi h ASP 340 N 0.09 0.99 -0.58 -3.80 3.32 -1.79 -2.89 116.42 111.76 2nqi h ASP 340 Ca 0.10 -0.41 0.08 0.00 0.02 0.00 0.00 57.03 56.82 2nqi h ASP 340 Cb 0.12 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 2nqi h ASP 340 CO -0.16 1.20 0.24 0.15 -1.72 0.00 0.00 179.24 178.95 2nqi h PHE 341 N 0.80 0.43 0.00 4.55 3.04 -0.64 -0.72 116.94 124.41 2nqi h PHE 341 Ca 0.09 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.98 2nqi h PHE 341 Cb 0.87 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 2nqi h PHE 341 CO 0.06 0.15 -0.42 -0.84 -2.02 0.00 0.00 178.31 175.24 2nqi h ILE 342 N 0.45 0.85 -0.02 1.41 3.07 -1.20 -1.63 117.51 120.44 2nqi h ILE 342 Ca 0.28 -1.77 -0.16 0.00 1.55 0.00 0.00 64.86 64.77 2nqi h ILE 342 Cb 0.30 2.11 0.01 0.00 -0.27 0.00 0.00 36.82 38.97 2nqi h ILE 342 CO -0.26 0.41 -0.59 -0.09 -1.05 0.00 0.00 178.15 176.57 2nqi h ARG 343 N 0.00 0.44 -0.05 0.16 2.43 -1.33 -3.39 114.38 112.65 2nqi h ARG 343 Ca -0.00 -0.45 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 2nqi h ARG 343 Cb 1.08 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2nqi h ARG 343 CO 0.05 1.10 -0.48 0.93 -1.51 0.00 0.00 179.97 180.07 2nqi h GLU 344 N -0.04 0.41 -6.71 0.20 4.39 -1.07 -3.46 114.58 108.29 2nqi h GLU 344 Ca -0.07 -0.37 -0.48 0.00 0.34 0.00 0.00 59.36 58.78 2nqi h GLU 344 Cb 1.29 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 30.05 2nqi h GLU 344 CO 0.12 1.03 -0.05 -0.06 -1.16 0.00 0.00 179.01 178.89 2nqi s PHE 345 N -3.44 3.52 -0.01 4.33 0.40 -0.62 -4.81 117.98 117.35 2nqi s PHE 345 Ca -0.13 0.56 0.05 0.00 -0.60 0.00 0.00 56.93 56.80 2nqi s PHE 345 Cb 0.04 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.40 2nqi s PHE 345 CO 0.81 -0.07 0.10 0.25 0.70 0.00 0.00 175.22 177.00 2nqi n THR 346 N -2.01 0.02 -3.73 0.64 -2.24 -0.34 -4.73 114.28 101.88 2nqi n THR 346 Ca -0.02 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2nqi n THR 346 Cb 0.56 0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.97 2nqi n THR 346 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2nqi s LYS 347 N -2.32 0.16 -0.06 -0.78 2.20 -1.03 -1.15 119.74 116.76 2nqi s LYS 347 Ca -0.02 0.48 0.05 0.00 -0.36 0.00 0.00 55.97 56.12 2nqi s LYS 347 Cb 0.03 -0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.19 2nqi s LYS 347 CO 0.20 -0.17 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.64 2nqi s LEU 348 N 1.28 2.34 -0.06 5.43 2.96 -0.85 -2.05 118.68 127.73 2nqi s LEU 348 Ca -0.09 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2nqi s LEU 348 Cb -0.11 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2nqi s LEU 348 CO -0.08 0.28 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.42 2nqi s GLU 349 N -0.37 2.54 -0.07 1.98 2.02 -0.31 0.68 118.70 125.18 2nqi s GLU 349 Ca 0.03 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.20 2nqi s GLU 349 Cb -0.12 -2.25 0.02 0.00 0.10 0.00 0.00 34.13 31.88 2nqi s GLU 349 CO 0.02 0.46 -0.08 0.42 0.02 0.00 0.00 175.26 176.10 2nqi s ILE 350 N -0.34 0.91 -0.42 -1.63 1.01 -0.01 -1.68 121.20 119.03 2nqi s ILE 350 Ca 0.02 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 2nqi s ILE 350 Cb -0.12 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.50 2nqi s ILE 350 CO 0.02 0.32 0.30 0.00 0.00 0.00 0.00 174.94 175.58 2nqi s ASN 352 N 1.99 6.95 0.12 0.00 0.02 -0.00 -2.00 114.94 122.02 2nqi s ASN 352 Ca 0.04 1.13 -0.20 0.00 -1.02 0.00 0.00 52.86 52.81 2nqi s ASN 352 Cb -0.21 -2.37 -0.07 0.00 0.02 0.00 0.00 41.25 38.62 2nqi s ASN 352 CO 0.07 0.03 0.63 -0.76 0.02 0.00 0.00 177.10 177.09 2nqi s LEU 353 N 0.18 4.49 0.00 0.60 1.02 -1.26 -1.59 118.68 122.12 2nqi s LEU 353 Ca 0.32 1.34 0.27 0.00 0.02 0.00 0.00 54.13 56.08 2nqi s LEU 353 Cb -0.18 -3.11 0.90 0.00 0.02 0.00 0.00 46.19 43.82 2nqi s LEU 353 CO 0.17 0.21 1.66 0.41 0.02 0.00 0.00 176.35 178.82