#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqa s PRO 5 N 0.00 4.21 0.18 0.03 0.04 -1.26 -5.01 135.00 133.18 1hqa s PRO 5 Ca 0.00 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.21 1hqa s PRO 5 Cb 0.00 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1hqa s PRO 5 CO 0.00 -0.05 0.20 0.14 0.04 0.00 0.00 177.00 177.33 1hqa s VAL 6 N -2.19 4.74 -0.40 -0.36 -7.23 -1.26 -4.78 120.40 108.93 1hqa s VAL 6 Ca 0.62 -1.02 -0.28 0.00 -1.81 0.00 0.00 61.98 59.49 1hqa s VAL 6 Cb -0.09 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 1hqa s VAL 6 CO 0.14 -0.15 1.73 -0.76 -0.31 0.00 0.00 175.10 175.75 1hqa s LEU 7 N -3.30 3.48 0.18 1.32 1.02 -0.53 -4.87 118.68 115.99 1hqa s LEU 7 Ca 0.32 1.01 -0.01 0.00 0.02 0.00 0.00 54.13 55.47 1hqa s LEU 7 Cb -0.10 -3.32 0.09 0.00 0.02 0.00 0.00 46.19 42.88 1hqa s LEU 7 CO 0.25 -1.79 1.46 -0.33 0.02 0.00 0.00 176.35 175.96 1hqa h GLU 8 N 12.86 0.43 -1.27 1.70 5.08 -1.96 -3.43 114.58 127.99 1hqa h GLU 8 Ca -0.31 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 57.79 1hqa h GLU 8 Cb 1.15 0.06 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 1hqa h GLU 8 CO 1.08 0.95 -0.27 1.21 -1.00 0.00 0.00 179.01 180.98 1hqa s ASN 9 N -6.96 -1.17 -0.23 1.42 2.47 -1.26 -5.00 114.94 104.21 1hqa s ASN 9 Ca -0.06 0.92 0.12 0.00 0.42 0.00 0.00 52.86 54.26 1hqa s ASN 9 Cb 0.11 2.07 0.44 0.00 -1.45 0.00 0.00 41.25 42.42 1hqa s ASN 9 CO 0.84 -0.26 1.19 0.54 -3.72 0.00 0.00 177.10 175.69 1hqa n ARG 10 N 5.43 2.28 -2.40 0.43 1.74 -1.26 -4.91 116.66 117.96 1hqa n ARG 10 Ca -0.03 -3.56 -0.31 0.00 -0.77 0.00 0.00 57.85 53.19 1hqa n ARG 10 Cb 0.51 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1hqa n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hqa s ALA 11 N -3.15 3.20 0.16 7.54 0.00 -1.26 -4.76 121.76 123.49 1hqa s ALA 11 Ca 0.42 -0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.94 1hqa s ALA 11 Cb 0.38 -2.92 -0.16 0.00 0.00 0.00 0.00 23.12 20.43 1hqa s ALA 11 CO -0.03 -0.33 1.18 0.00 0.00 0.00 0.00 175.76 176.57 1hqa n ALA 12 N -1.96 -0.92 0.83 0.00 0.00 0.45 -4.44 120.51 114.46 1hqa n ALA 12 Ca 0.04 0.47 0.12 0.00 0.00 0.00 0.00 53.44 54.08 1hqa n ALA 12 Cb 0.54 -2.02 0.52 0.00 0.00 0.00 0.00 19.45 18.49 1hqa n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1hqa n GLN 13 N 1.85 0.01 0.00 0.00 1.13 0.12 -4.96 117.38 115.53 1hqa n GLN 13 Ca 0.16 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1hqa n GLN 13 Cb 0.23 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1hqa n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hqa n GLY 14 N 1.02 2.80 3.58 1.08 0.00 0.60 -5.04 105.19 109.24 1hqa n GLY 14 Ca 0.06 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1hqa n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hqa s ASP 15 N 2.00 6.53 0.45 1.61 -1.08 -1.24 -4.78 116.67 120.17 1hqa s ASP 15 Ca 0.00 0.29 0.25 0.00 -0.52 0.00 0.00 52.55 52.57 1hqa s ASP 15 Cb 0.00 -2.40 1.27 0.00 -1.46 0.00 0.00 42.92 40.33 1hqa s ASP 15 CO 0.00 -0.76 1.78 0.40 0.52 0.00 0.00 175.17 177.12 1hqa h ILE 16 N 5.79 0.48 0.00 4.11 1.08 -1.98 0.12 117.51 127.12 1hqa h ILE 16 Ca -0.25 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1hqa h ILE 16 Cb 1.09 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1hqa h ILE 16 CO 0.92 0.04 -0.13 0.35 -0.69 0.00 0.00 178.15 178.64 1hqa n THR 17 N -4.48 0.18 -4.00 -0.27 -2.24 -1.26 -4.50 114.28 97.71 1hqa n THR 17 Ca 0.25 -0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.68 1hqa n THR 17 Cb 1.00 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 1hqa n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqa s ALA 18 N -3.04 3.81 0.06 6.98 0.00 0.43 -5.03 121.76 124.98 1hqa s ALA 18 Ca 0.12 -1.12 -0.36 0.00 0.00 0.00 0.00 51.96 50.61 1hqa s ALA 18 Cb 0.17 -1.61 -0.15 0.00 0.00 0.00 0.00 23.12 21.52 1hqa s ALA 18 CO 0.59 0.50 1.54 -2.30 0.00 0.00 0.00 175.76 176.09 1hqa n PRO 19 N -0.53 1.67 -0.60 0.00 -0.02 -1.26 -0.24 135.00 134.02 1hqa n PRO 19 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1hqa n PRO 19 Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1hqa n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqa n GLY 20 N 3.26 0.70 0.23 -1.23 0.00 -1.26 -4.85 105.19 102.05 1hqa n GLY 20 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1hqa n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hqa h GLY 21 N 0.00 0.00 -0.06 -0.02 0.00 -0.72 -3.05 103.07 99.22 1hqa h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hqa h GLY 21 CO 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.29 1hqa n ALA 22 N -2.15 3.06 -1.74 3.60 0.00 -1.26 -0.29 120.51 121.73 1hqa n ALA 22 Ca 0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 1hqa n ALA 22 Cb 0.43 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.80 1hqa n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hqa n ARG 23 N -0.42 2.19 -0.00 0.00 1.74 -1.15 -4.53 116.66 114.49 1hqa n ARG 23 Ca 0.13 0.78 0.09 0.00 -0.77 0.00 0.00 57.85 58.07 1hqa n ARG 23 Cb 0.37 -2.52 -0.11 0.00 -1.02 0.00 0.00 32.46 29.17 1hqa n ARG 23 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1hqa n ARG 24 N 0.05 0.90 -4.04 5.56 1.74 -1.26 0.16 116.66 119.78 1hqa n ARG 24 Ca 0.05 -0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 1hqa n ARG 24 Cb 0.40 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 1hqa n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hqa s LEU 25 N -3.24 3.88 0.00 0.55 1.43 -1.26 -4.50 118.68 115.53 1hqa s LEU 25 Ca 0.03 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1hqa s LEU 25 Cb 0.13 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.87 1hqa s LEU 25 CO 0.75 0.19 0.64 0.35 0.23 0.00 0.00 176.35 178.50 1hqa n THR 26 N 0.54 0.05 -0.89 5.49 -2.24 -1.26 -4.98 114.28 110.99 1hqa n THR 26 Ca -0.09 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1hqa n THR 26 Cb 0.52 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1hqa n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqa n GLY 27 N 0.18 -1.14 3.76 3.38 0.00 -1.26 -5.14 105.19 104.97 1hqa n GLY 27 Ca 0.02 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1hqa n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hqa s ASP 28 N -1.18 6.86 0.00 1.61 2.15 -1.26 -4.95 116.67 119.90 1hqa s ASP 28 Ca 0.00 2.57 0.23 0.00 0.43 0.00 0.00 52.55 55.78 1hqa s ASP 28 Cb 0.00 -2.64 0.17 0.00 -0.30 0.00 0.00 42.92 40.16 1hqa s ASP 28 CO 0.00 -0.49 1.19 0.00 -0.17 0.00 0.00 175.17 175.70 1hqa n GLN 29 N 1.33 0.53 -0.09 4.34 1.13 -1.26 -4.60 117.38 118.76 1hqa n GLN 29 Ca 0.02 -0.40 -0.08 0.00 -1.94 0.00 0.00 57.00 54.60 1hqa n GLN 29 Cb 0.42 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 1hqa n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1hqa h THR 30 N 0.97 0.31 -0.60 5.09 2.02 -2.00 -0.99 112.91 117.72 1hqa h THR 30 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1hqa h THR 30 Cb 0.58 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1hqa h THR 30 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 1hqa h ALA 31 N 0.81 0.77 -0.35 6.16 0.00 -2.00 -1.64 119.26 123.01 1hqa h ALA 31 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hqa h ALA 31 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1hqa h ALA 31 CO -0.47 0.34 0.16 0.00 0.00 0.00 0.00 179.25 179.28 1hqa h ALA 32 N 1.12 1.64 -0.13 0.00 0.00 -1.67 -1.63 119.26 118.57 1hqa h ALA 32 Ca 0.20 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1hqa h ALA 32 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hqa h ALA 32 CO -0.02 0.30 -0.71 1.25 0.00 0.00 0.00 179.25 180.07 1hqa h LEU 33 N 0.49 0.69 -0.56 0.00 5.85 -0.45 -2.79 115.31 118.53 1hqa h LEU 33 Ca 0.12 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1hqa h LEU 33 Cb 0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1hqa h LEU 33 CO -0.02 1.19 0.37 0.03 -0.34 0.00 0.00 178.44 179.67 1hqa h ARG 34 N 0.41 0.72 0.00 1.25 3.08 -0.80 0.38 114.38 119.43 1hqa h ARG 34 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1hqa h ARG 34 Cb 1.30 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1hqa h ARG 34 CO 0.13 0.48 0.00 -0.25 -1.07 0.00 0.00 179.97 179.26 1hqa n ASP 35 N -4.71 0.13 0.03 7.04 8.00 -0.66 -2.18 116.55 124.20 1hqa n ASP 35 Ca 0.04 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.19 1hqa n ASP 35 Cb 0.03 -0.56 0.19 0.00 -0.02 0.00 0.00 41.12 40.76 1hqa n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hqa n SER 36 N -1.65 0.59 -4.58 -2.24 7.64 0.11 -4.13 113.62 109.36 1hqa n SER 36 Ca 0.03 -0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 1hqa n SER 36 Cb 0.16 0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 1hqa n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1hqa s LEU 37 N -3.59 4.11 -0.15 -3.43 1.02 -0.92 -4.69 118.68 111.01 1hqa s LEU 37 Ca 0.08 0.32 -0.08 0.00 0.02 0.00 0.00 54.13 54.47 1hqa s LEU 37 Cb 0.16 -3.08 0.06 0.00 0.02 0.00 0.00 46.19 43.34 1hqa s LEU 37 CO 0.72 -0.80 0.37 -0.55 0.02 0.00 0.00 176.35 176.11 1hqa s SER 38 N 1.92 -0.46 -0.01 2.29 0.15 -1.26 -5.02 113.70 111.30 1hqa s SER 38 Ca 0.33 0.81 0.21 0.00 0.70 0.00 0.00 55.95 58.00 1hqa s SER 38 Cb -0.13 0.69 0.63 0.00 -1.71 0.00 0.00 66.02 65.50 1hqa s SER 38 CO 0.19 -0.19 1.53 -0.90 1.20 0.00 0.00 173.24 175.07 1hqa n ASP 39 N 4.23 3.87 -4.70 5.45 5.68 -1.26 -0.73 116.55 129.09 1hqa n ASP 39 Ca -0.24 -2.06 -0.33 0.00 -0.50 0.00 0.00 54.79 51.67 1hqa n ASP 39 Cb 0.55 -0.48 0.12 0.00 -1.14 0.00 0.00 41.12 40.16 1hqa n ASP 39 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1hqa s LYS 40 N -1.16 1.73 0.57 0.11 -0.14 -1.26 -4.86 119.74 114.73 1hqa s LYS 40 Ca 0.47 1.71 -0.19 0.00 -1.36 0.00 0.00 55.97 56.61 1hqa s LYS 40 Cb 0.25 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.57 1hqa s LYS 40 CO 0.31 -2.14 1.17 -2.14 -0.76 0.00 0.00 175.35 171.79 1hqa s PRO 41 N -4.16 3.13 0.00 -1.68 0.02 -1.26 -4.45 135.00 126.60 1hqa s PRO 41 Ca 0.72 1.71 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 1hqa s PRO 41 Cb -0.28 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 1hqa s PRO 41 CO 0.50 -1.05 0.35 0.00 -0.33 0.00 0.00 177.00 176.47 1hqa s ALA 42 N -1.70 3.75 -0.07 -1.55 0.00 -0.63 -4.94 121.76 116.61 1hqa s ALA 42 Ca 0.75 -0.35 0.14 0.00 0.00 0.00 0.00 51.96 52.49 1hqa s ALA 42 Cb -0.27 -2.27 -0.23 0.00 0.00 0.00 0.00 23.12 20.35 1hqa s ALA 42 CO 0.31 0.54 0.58 1.17 0.00 0.00 0.00 175.76 178.35 1hqa n LYS 43 N 1.54 0.64 -4.19 0.00 4.81 0.81 -4.47 118.16 117.30 1hqa n LYS 43 Ca -0.13 0.25 -0.11 0.00 -0.87 0.00 0.00 58.31 57.44 1hqa n LYS 43 Cb 0.53 -1.75 -0.10 0.00 0.02 0.00 0.00 35.03 33.72 1hqa n LYS 43 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1hqa s ASN 44 N -5.99 1.03 -0.03 3.14 0.01 -0.97 -3.36 114.94 108.76 1hqa s ASN 44 Ca -0.05 -1.10 -0.00 0.00 -0.71 0.00 0.00 52.86 51.00 1hqa s ASN 44 Cb 0.08 0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.90 1hqa s ASN 44 CO 0.83 -0.55 0.01 -0.63 -1.51 0.00 0.00 177.10 175.24 1hqa s ILE 45 N -3.71 0.16 -0.25 0.60 1.01 -0.29 -1.89 121.20 116.83 1hqa s ILE 45 Ca 0.18 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1hqa s ILE 45 Cb 0.06 -0.28 0.04 0.00 0.01 0.00 0.00 42.46 42.29 1hqa s ILE 45 CO -0.01 0.16 -0.09 -0.63 0.00 0.00 0.00 174.94 174.37 1hqa s ILE 46 N 1.24 2.54 -0.28 2.92 1.01 -0.58 -0.70 121.20 127.35 1hqa s ILE 46 Ca -0.07 -1.29 -0.09 0.00 0.00 0.00 0.00 60.65 59.21 1hqa s ILE 46 Cb -0.13 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1hqa s ILE 46 CO -0.02 0.11 0.13 -0.22 0.00 0.00 0.00 174.94 174.94 1hqa s LEU 47 N 1.23 3.82 -0.18 2.97 0.20 0.11 -1.68 118.68 125.15 1hqa s LEU 47 Ca -0.03 -0.25 -0.03 0.00 0.69 0.00 0.00 54.13 54.50 1hqa s LEU 47 Cb -0.18 -2.00 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 1hqa s LEU 47 CO -0.05 -0.09 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.10 1hqa s LEU 48 N 1.66 3.00 -0.21 -0.68 2.01 0.12 -0.24 118.68 124.34 1hqa s LEU 48 Ca 0.06 -0.27 -0.02 0.00 0.01 0.00 0.00 54.13 53.90 1hqa s LEU 48 Cb -0.16 -1.73 -0.00 0.00 0.01 0.00 0.00 46.19 44.31 1hqa s LEU 48 CO 0.07 0.09 -0.09 -0.63 1.01 0.00 0.00 176.35 176.80 1hqa s ILE 49 N 0.81 2.99 -0.39 -0.59 -1.09 0.15 -1.29 121.20 121.78 1hqa s ILE 49 Ca -0.02 -0.62 -0.18 0.00 -2.23 0.00 0.00 60.65 57.60 1hqa s ILE 49 Cb -0.15 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 38.41 1hqa s ILE 49 CO 0.02 0.46 0.50 -0.83 -1.23 0.00 0.00 174.94 173.85 1hqa s GLY 50 N 1.39 1.83 -0.09 6.18 0.00 0.49 -0.30 107.32 116.83 1hqa s GLY 50 Ca 0.05 -1.25 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 1hqa s GLY 50 CO -0.06 1.26 1.51 -0.35 0.00 0.00 0.00 173.10 175.47 1hqa s ASP 51 N 1.83 6.77 0.00 1.64 -1.08 -0.88 -2.15 116.67 122.80 1hqa s ASP 51 Ca 0.16 2.05 0.00 0.00 -0.52 0.00 0.00 52.55 54.25 1hqa s ASP 51 Cb -0.16 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1hqa s ASP 51 CO 0.15 -0.86 0.00 0.61 0.52 0.00 0.00 175.17 175.58 1hqa n GLY 52 N 3.93 0.65 3.27 2.66 0.00 -1.24 -1.12 105.19 113.34 1hqa n GLY 52 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1hqa n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hqa n MET 53 N -2.22 3.13 -1.17 1.61 1.56 -0.91 -3.94 117.12 115.18 1hqa n MET 53 Ca 0.00 -3.13 -0.16 0.00 -0.27 0.00 0.00 57.70 54.14 1hqa n MET 53 Cb 0.04 -3.37 0.11 0.00 2.15 0.00 0.00 33.22 32.15 1hqa n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1hqa n GLY 54 N 4.76 -1.08 0.30 -5.12 0.00 -1.26 -4.46 105.19 98.34 1hqa n GLY 54 Ca 0.48 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.82 1hqa n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hqa h ASP 55 N -0.92 0.40 -0.33 1.61 3.32 -1.92 -2.27 116.42 116.31 1hqa h ASP 55 Ca -0.24 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1hqa h ASP 55 Cb 0.68 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1hqa h ASP 55 CO 0.18 0.29 0.06 -1.28 -1.72 0.00 0.00 179.24 176.76 1hqa h SER 56 N 0.47 0.52 -0.68 6.45 0.87 -1.92 -1.17 113.55 118.09 1hqa h SER 56 Ca 0.13 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1hqa h SER 56 Cb -0.05 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1hqa h SER 56 CO -0.03 0.65 0.30 -0.33 -0.53 0.00 0.00 176.83 176.89 1hqa h GLU 57 N 0.38 1.02 -0.33 2.24 3.07 -1.71 -1.41 114.58 117.83 1hqa h GLU 57 Ca 0.10 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 1hqa h GLU 57 Cb 0.34 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1hqa h GLU 57 CO 0.01 0.82 -0.03 0.82 -1.40 0.00 0.00 179.01 179.23 1hqa h ILE 58 N 1.01 1.27 -0.53 3.13 2.04 -1.07 -2.29 117.51 121.07 1hqa h ILE 58 Ca 0.24 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1hqa h ILE 58 Cb 0.16 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1hqa h ILE 58 CO -0.02 0.33 0.30 0.74 0.00 0.00 0.00 178.15 179.50 1hqa h THR 59 N 0.38 1.17 -0.53 -0.27 2.02 -1.01 -1.37 112.91 113.31 1hqa h THR 59 Ca 0.09 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1hqa h THR 59 Cb 0.49 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1hqa h THR 59 CO 0.02 0.18 0.17 0.00 0.37 0.00 0.00 175.52 176.26 1hqa h ALA 60 N 1.14 0.69 -0.23 6.16 0.00 -1.24 -0.40 119.26 125.38 1hqa h ALA 60 Ca 0.19 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1hqa h ALA 60 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1hqa h ALA 60 CO -0.03 0.34 -0.39 0.00 0.00 0.00 0.00 179.25 179.17 1hqa h ALA 61 N 1.03 0.91 0.27 0.00 0.00 -1.28 -1.96 119.26 118.23 1hqa h ALA 61 Ca 0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1hqa h ALA 61 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1hqa h ALA 61 CO -0.01 0.63 -0.13 -0.09 0.00 0.00 0.00 179.25 179.65 1hqa h ARG 62 N 0.43 -0.35 -0.63 0.00 2.43 -0.86 -0.86 114.38 114.54 1hqa h ARG 62 Ca 0.04 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.37 1hqa h ARG 62 Cb 0.87 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.39 1hqa h ARG 62 CO 0.07 -0.02 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.60 1hqa h ASN 63 N -0.74 -0.30 0.22 -3.80 2.35 -1.07 0.67 115.58 112.90 1hqa h ASN 63 Ca -0.04 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1hqa h ASN 63 Cb 0.49 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1hqa h ASN 63 CO 0.06 -0.13 -0.10 0.22 -1.65 0.00 0.00 177.43 175.83 1hqa h TYR 64 N 0.11 -0.27 0.09 1.19 5.03 -1.32 -2.38 116.97 119.41 1hqa h TYR 64 Ca 0.33 -0.01 -0.28 0.00 2.58 0.00 0.00 58.73 61.36 1hqa h TYR 64 Cb 0.54 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 1hqa h TYR 64 CO -0.38 0.09 -1.35 0.00 -1.32 0.00 0.00 178.16 175.21 1hqa h ALA 65 N -0.06 0.27 -0.00 1.82 0.00 -0.99 -0.71 119.26 119.59 1hqa h ALA 65 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1hqa h ALA 65 Cb 0.49 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1hqa h ALA 65 CO 0.05 1.14 -0.04 0.39 0.00 0.00 0.00 179.25 180.79 1hqa n GLU 66 N -3.43 2.12 0.00 0.00 -0.58 0.22 -4.80 120.64 114.17 1hqa n GLU 66 Ca -0.11 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 1hqa n GLU 66 Cb 1.02 -0.87 0.00 0.00 -0.57 0.00 0.00 31.44 31.02 1hqa n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hqa n GLY 67 N 0.50 -0.97 0.35 0.62 0.00 -0.30 -3.35 105.19 102.05 1hqa n GLY 67 Ca 0.01 -1.48 0.15 0.00 0.00 0.00 0.00 46.02 44.70 1hqa n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa h ALA 68 N 0.00 1.73 -0.16 4.61 0.00 -1.79 0.21 119.26 123.86 1hqa h ALA 68 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hqa h ALA 68 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1hqa h ALA 68 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1hqa n GLY 69 N -1.33 0.31 0.00 0.00 0.00 -1.26 -4.88 105.19 98.02 1hqa n GLY 69 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1hqa n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqa n GLY 70 N 1.15 -1.88 3.53 -0.02 0.00 0.73 -0.42 105.19 108.29 1hqa n GLY 70 Ca 0.17 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1hqa n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hqa s PHE 71 N -0.90 -0.88 -0.36 1.61 5.36 -1.26 -4.58 117.98 116.96 1hqa s PHE 71 Ca 0.00 1.85 -0.29 0.00 -0.96 0.00 0.00 56.93 57.53 1hqa s PHE 71 Cb 0.00 0.47 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 1hqa s PHE 71 CO 0.00 -0.45 1.09 -0.06 -1.46 0.00 0.00 175.22 174.34 1hqa s PHE 72 N 1.32 3.07 0.56 10.12 0.08 -1.26 -4.90 117.98 126.96 1hqa s PHE 72 Ca -0.08 1.07 0.26 0.00 0.12 0.00 0.00 56.93 58.30 1hqa s PHE 72 Cb -0.06 -3.88 1.49 0.00 -0.57 0.00 0.00 43.02 40.01 1hqa s PHE 72 CO -0.14 -0.89 2.03 0.87 -0.10 0.00 0.00 175.22 176.99 1hqa h LYS 73 N 8.38 0.00 0.00 0.44 1.79 -1.96 -2.07 116.57 123.15 1hqa h LYS 73 Ca -0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1hqa h LYS 73 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1hqa h LYS 73 CO 1.06 0.00 -0.13 0.41 -1.08 0.00 0.00 179.45 179.70 1hqa n GLY 74 N -1.52 -0.51 0.39 3.86 0.00 -1.26 -4.33 105.19 101.82 1hqa n GLY 74 Ca 0.05 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1hqa n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hqa h ILE 75 N -0.15 0.70 -0.01 -0.61 2.04 -1.80 -1.55 117.51 116.14 1hqa h ILE 75 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1hqa h ILE 75 Cb 0.13 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1hqa h ILE 75 CO 0.00 0.09 -0.49 0.47 0.00 0.00 0.00 178.15 178.22 1hqa n ASP 76 N -4.56 1.44 -0.01 1.72 8.00 -0.78 -4.20 116.55 118.15 1hqa n ASP 76 Ca 0.20 -1.14 0.14 0.00 0.71 0.00 0.00 54.79 54.70 1hqa n ASP 76 Cb 0.64 0.43 0.62 0.00 -0.02 0.00 0.00 41.12 42.79 1hqa n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqa n ALA 77 N -0.56 2.56 -2.35 2.24 0.00 -0.58 -4.81 120.51 117.00 1hqa n ALA 77 Ca 0.09 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1hqa n ALA 77 Cb 0.40 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1hqa n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hqa s LEU 78 N -2.82 4.32 0.40 0.00 1.02 -1.25 -1.45 118.68 118.89 1hqa s LEU 78 Ca 0.19 2.00 0.21 0.00 0.02 0.00 0.00 54.13 56.56 1hqa s LEU 78 Cb 0.19 -3.57 0.37 0.00 0.02 0.00 0.00 46.19 43.21 1hqa s LEU 78 CO 0.52 -0.61 1.60 1.55 0.02 0.00 0.00 176.35 179.43 1hqa h PRO 79 N 7.40 0.00 -5.06 1.29 0.13 -1.86 -3.44 132.00 130.46 1hqa h PRO 79 Ca -0.38 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.11 1hqa h PRO 79 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1hqa h PRO 79 CO 0.87 0.18 -0.65 -0.51 -0.23 0.00 0.00 178.00 177.65 1hqa s LEU 80 N -6.33 3.29 0.11 1.56 2.01 -1.16 -5.00 118.68 113.17 1hqa s LEU 80 Ca 0.05 -0.21 0.05 0.00 0.01 0.00 0.00 54.13 54.03 1hqa s LEU 80 Cb 0.06 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.38 1hqa s LEU 80 CO 0.68 0.03 -0.13 0.42 1.01 0.00 0.00 176.35 178.36 1hqa s THR 81 N 1.22 1.20 0.01 5.49 -4.23 -1.26 -0.53 115.64 117.53 1hqa s THR 81 Ca 0.04 -1.62 -0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1hqa s THR 81 Cb -0.15 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1hqa s THR 81 CO 0.02 -0.41 0.01 0.61 -0.54 0.00 0.00 174.62 174.31 1hqa n GLY 82 N 0.69 2.00 3.07 3.99 0.00 0.23 -4.00 105.19 111.18 1hqa n GLY 82 Ca -0.17 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 1hqa n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqa s GLN 83 N -2.00 1.18 0.10 1.61 1.11 -0.82 -1.47 119.66 119.35 1hqa s GLN 83 Ca 0.00 -0.44 0.06 0.00 0.01 0.00 0.00 55.36 54.99 1hqa s GLN 83 Cb -0.00 -1.09 -0.03 0.00 -1.01 0.00 0.00 33.01 30.87 1hqa s GLN 83 CO 0.00 0.22 -0.15 1.52 0.01 0.00 0.00 175.29 176.89 1hqa s TYR 84 N -0.06 1.38 0.11 0.91 1.13 -0.26 -2.01 117.35 118.54 1hqa s TYR 84 Ca 0.00 -0.49 -0.09 0.00 -1.41 0.00 0.00 57.07 55.08 1hqa s TYR 84 Cb -0.08 -0.75 -0.06 0.00 -1.10 0.00 0.00 41.96 39.98 1hqa s TYR 84 CO 0.00 0.11 0.41 0.95 -2.51 0.00 0.00 175.55 174.52 1hqa s THR 85 N -1.58 5.08 -0.04 -3.49 -4.23 -0.70 -2.62 115.64 108.06 1hqa s THR 85 Ca 0.03 0.39 0.16 0.00 -1.18 0.00 0.00 61.69 61.09 1hqa s THR 85 Cb -0.08 -3.64 0.29 0.00 1.34 0.00 0.00 72.50 70.41 1hqa s THR 85 CO 0.03 0.21 1.13 0.00 -0.54 0.00 0.00 174.62 175.44 1hqa n HIS 86 N 0.67 0.00 -1.60 3.99 1.44 -1.26 -1.04 115.22 117.41 1hqa n HIS 86 Ca -0.06 -0.53 -0.37 0.00 -2.01 0.00 0.00 57.72 54.75 1hqa n HIS 86 Cb 0.52 -0.13 0.07 0.00 0.12 0.00 0.00 29.99 30.56 1hqa n HIS 86 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1hqa n TYR 87 N -0.04 1.18 -3.17 -1.40 0.18 -1.26 -4.42 117.16 108.23 1hqa n TYR 87 Ca 0.07 0.42 -0.04 0.00 1.88 0.00 0.00 57.90 60.23 1hqa n TYR 87 Cb 0.91 -2.17 0.01 0.00 -0.38 0.00 0.00 39.34 37.71 1hqa n TYR 87 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1hqa n ALA 88 N -2.00 0.20 -2.46 -3.48 0.00 0.03 -4.92 120.51 107.88 1hqa n ALA 88 Ca 0.15 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1hqa n ALA 88 Cb 0.48 0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 1hqa n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hqa s LEU 89 N 0.00 2.60 -0.10 0.00 1.43 -0.26 -0.37 118.68 121.98 1hqa s LEU 89 Ca 0.09 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 1hqa s LEU 89 Cb -0.01 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1hqa s LEU 89 CO 0.06 0.17 1.02 0.21 0.23 0.00 0.00 176.35 178.04 1hqa s ASN 90 N -2.18 7.24 0.26 2.29 3.84 0.22 -4.14 114.94 122.46 1hqa s ASN 90 Ca 0.17 1.56 -0.04 0.00 0.21 0.00 0.00 52.86 54.76 1hqa s ASN 90 Cb -0.10 -2.56 0.34 0.00 -0.55 0.00 0.00 41.25 38.39 1hqa s ASN 90 CO 0.09 -0.45 1.92 0.50 -2.79 0.00 0.00 177.10 176.37 1hqa h LYS 91 N 7.10 1.22 0.07 0.43 3.64 -1.93 0.19 116.57 127.30 1hqa h LYS 91 Ca -0.32 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1hqa h LYS 91 Cb 1.15 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1hqa h LYS 91 CO 0.85 0.81 -0.03 -0.22 -2.27 0.00 0.00 179.45 178.59 1hqa h LYS 92 N 1.26 -0.09 0.00 1.90 1.63 -1.94 -3.37 116.57 115.97 1hqa h LYS 92 Ca 0.39 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1hqa h LYS 92 Cb -0.02 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1hqa h LYS 92 CO -0.12 0.42 -1.33 0.25 -3.45 0.00 0.00 179.45 175.23 1hqa n THR 93 N -4.87 0.37 -0.94 1.00 -2.24 -1.21 -4.97 114.28 101.42 1hqa n THR 93 Ca -0.08 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1hqa n THR 93 Cb 0.28 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1hqa n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqa n GLY 94 N 1.23 0.87 3.89 3.38 0.00 0.66 -4.99 105.19 110.23 1hqa n GLY 94 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1hqa n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqa s LYS 95 N -0.12 2.84 0.45 1.61 1.02 -1.26 -4.67 119.74 119.61 1hqa s LYS 95 Ca 0.00 0.37 -0.24 0.00 0.02 0.00 0.00 55.97 56.11 1hqa s LYS 95 Cb 0.00 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1hqa s LYS 95 CO 0.00 -0.99 1.25 -2.14 -0.92 0.00 0.00 175.35 172.55 1hqa s PRO 96 N -5.30 3.75 -0.30 -1.68 0.02 -1.26 0.68 135.00 130.91 1hqa s PRO 96 Ca 0.58 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.60 1hqa s PRO 96 Cb -0.11 -2.54 0.06 0.00 0.02 0.00 0.00 34.50 31.93 1hqa s PRO 96 CO 0.50 -0.62 -0.00 0.34 -0.33 0.00 0.00 177.00 176.89 1hqa s ASP 97 N -1.02 4.82 0.37 2.53 -1.08 0.50 -4.60 116.67 118.20 1hqa s ASP 97 Ca 0.62 -1.40 0.26 0.00 -0.52 0.00 0.00 52.55 51.50 1hqa s ASP 97 Cb -0.35 -1.68 1.35 0.00 -1.46 0.00 0.00 42.92 40.78 1hqa s ASP 97 CO 0.43 -0.27 1.78 1.88 0.52 0.00 0.00 175.17 179.51 1hqa h TYR 98 N 7.94 0.00 -3.46 -5.34 0.05 -1.95 0.13 116.97 114.34 1hqa h TYR 98 Ca -0.19 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.02 1hqa h TYR 98 Cb 1.05 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.41 1hqa h TYR 98 CO 0.61 0.00 -0.78 0.08 -1.05 0.00 0.00 178.16 177.02 1hqa s VAL 99 N -3.62 1.14 0.59 -2.88 1.01 -1.26 -4.45 120.40 110.93 1hqa s VAL 99 Ca -0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1hqa s VAL 99 Cb 0.08 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1hqa s VAL 99 CO 0.25 -0.09 0.99 0.28 0.00 0.00 0.00 175.10 176.53 1hqa s THR 100 N 1.58 4.73 0.56 3.92 -1.32 -1.26 -4.79 115.64 119.07 1hqa s THR 100 Ca -0.03 0.79 0.09 0.00 -1.21 0.00 0.00 61.69 61.33 1hqa s THR 100 Cb -0.18 -3.86 0.09 0.00 -1.51 0.00 0.00 72.50 67.04 1hqa s THR 100 CO -0.07 -1.07 0.71 -0.90 -2.21 0.00 0.00 174.62 171.08 1hqa n ASP 101 N -2.59 2.18 0.23 8.08 5.75 -1.26 -4.93 116.55 124.00 1hqa n ASP 101 Ca 0.05 -2.56 0.07 0.00 -0.01 0.00 0.00 54.79 52.33 1hqa n ASP 101 Cb 0.54 -0.35 0.54 0.00 -1.03 0.00 0.00 41.12 40.82 1hqa n ASP 101 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1hqa h SER 102 N 0.19 0.00 0.01 -1.12 0.02 -1.99 -3.02 113.55 107.64 1hqa h SER 102 Ca -0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1hqa h SER 102 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1hqa h SER 102 CO 0.41 0.20 -0.00 0.00 -1.14 0.00 0.00 176.83 176.29 1hqa h ALA 103 N 1.80 -0.01 -0.65 3.77 0.00 -1.88 -1.05 119.26 121.25 1hqa h ALA 103 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1hqa h ALA 103 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1hqa h ALA 103 CO 0.03 -0.13 0.31 0.00 0.00 0.00 0.00 179.25 179.45 1hqa h ALA 104 N 0.21 1.33 -0.21 0.00 0.00 -1.64 -1.71 119.26 117.24 1hqa h ALA 104 Ca -0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1hqa h ALA 104 Cb 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hqa h ALA 104 CO 0.00 0.52 -0.37 0.66 0.00 0.00 0.00 179.25 180.06 1hqa h SER 105 N 0.91 0.70 -0.58 0.00 4.64 -1.58 -1.93 113.55 115.71 1hqa h SER 105 Ca 0.23 -0.53 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 1hqa h SER 105 Cb 0.09 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1hqa h SER 105 CO -0.03 1.10 0.26 0.00 -0.87 0.00 0.00 176.83 177.29 1hqa h ALA 106 N 0.62 1.31 -0.73 5.18 0.00 -1.01 -2.58 119.26 122.04 1hqa h ALA 106 Ca 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1hqa h ALA 106 Cb 0.97 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1hqa h ALA 106 CO 0.08 0.52 0.27 1.15 0.00 0.00 0.00 179.25 181.27 1hqa h THR 107 N 0.87 1.26 0.19 0.00 2.02 -1.19 -0.93 112.91 115.13 1hqa h THR 107 Ca 0.21 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1hqa h THR 107 Cb 0.14 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1hqa h THR 107 CO -0.02 0.33 -0.14 0.00 0.37 0.00 0.00 175.52 176.06 1hqa h ALA 108 N 1.13 -0.31 0.00 6.16 0.00 -0.96 0.10 119.26 125.38 1hqa h ALA 108 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1hqa h ALA 108 Cb 0.25 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1hqa h ALA 108 CO -0.02 -0.69 -0.09 0.11 0.00 0.00 0.00 179.25 178.57 1hqa h TRP 109 N -0.33 0.00 0.00 0.00 0.09 -1.49 0.54 115.95 114.76 1hqa h TRP 109 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.97 1hqa h TRP 109 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.53 1hqa h TRP 109 CO -0.10 0.09 -0.70 0.66 0.09 0.00 0.00 178.44 178.48 1hqa h SER 110 N 0.00 0.00 0.00 0.11 4.64 -0.73 -3.31 113.55 114.26 1hqa h SER 110 Ca -0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1hqa h SER 110 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1hqa h SER 110 CO 0.01 0.08 -0.46 0.35 -0.87 0.00 0.00 176.83 175.94 1hqa n THR 111 N -2.28 0.00 -0.83 2.95 -2.24 0.32 -0.47 114.28 111.72 1hqa n THR 111 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1hqa n THR 111 Cb 0.47 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1hqa n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqa n GLY 112 N 1.31 0.54 3.04 3.38 0.00 0.18 -4.93 105.19 108.71 1hqa n GLY 112 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1hqa n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqa s VAL 113 N -2.00 0.95 0.71 1.61 0.11 -1.25 -4.93 120.40 115.60 1hqa s VAL 113 Ca 0.00 -0.47 -0.13 0.00 -2.93 0.00 0.00 61.98 58.46 1hqa s VAL 113 Cb 0.00 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1hqa s VAL 113 CO 0.00 0.28 1.09 -0.54 -3.33 0.00 0.00 175.10 172.61 1hqa s LYS 114 N 0.05 2.59 0.12 1.54 -0.14 -1.26 -3.86 119.74 118.77 1hqa s LYS 114 Ca -0.01 1.24 -0.02 0.00 -1.36 0.00 0.00 55.97 55.81 1hqa s LYS 114 Cb -0.08 -1.93 0.01 0.00 -1.68 0.00 0.00 37.83 34.14 1hqa s LYS 114 CO 0.01 -1.40 0.19 -2.37 -0.76 0.00 0.00 175.35 171.02 1hqa n THR 115 N -2.98 0.00 -3.51 2.17 5.66 -1.26 -4.47 114.28 109.89 1hqa n THR 115 Ca 0.09 -0.51 -0.26 0.00 -3.05 0.00 0.00 64.05 60.32 1hqa n THR 115 Cb 0.53 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 69.63 1hqa n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1hqa s TYR 116 N -5.04 3.49 0.20 1.09 1.13 -1.26 -1.10 117.35 115.86 1hqa s TYR 116 Ca 0.08 0.41 -0.32 0.00 -1.41 0.00 0.00 57.07 55.83 1hqa s TYR 116 Cb -0.01 -1.93 -0.13 0.00 -1.10 0.00 0.00 41.96 38.80 1hqa s TYR 116 CO 0.06 0.25 1.66 0.09 -2.51 0.00 0.00 175.55 175.10 1hqa n ASN 117 N -1.10 3.67 0.00 -0.18 3.02 -1.26 -1.92 115.26 117.49 1hqa n ASN 117 Ca -0.04 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1hqa n ASN 117 Cb 0.55 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1hqa n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hqa n GLY 118 N 3.58 2.59 3.82 7.41 0.00 -1.26 -4.93 105.19 116.41 1hqa n GLY 118 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1hqa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa s ALA 119 N -2.64 3.23 -0.15 4.61 0.00 -0.81 0.05 121.76 126.05 1hqa s ALA 119 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1hqa s ALA 119 Cb 0.00 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1hqa s ALA 119 CO 0.00 0.24 -0.02 -0.51 0.00 0.00 0.00 175.76 175.47 1hqa s LEU 120 N -2.69 1.26 -0.54 0.00 1.43 -0.87 -3.72 118.68 113.55 1hqa s LEU 120 Ca 0.54 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1hqa s LEU 120 Cb -0.13 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1hqa s LEU 120 CO 0.18 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.15 1hqa n GLY 121 N 4.98 0.72 3.16 -3.19 0.00 -1.25 -0.86 105.19 108.75 1hqa n GLY 121 Ca -0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1hqa n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hqa s VAL 122 N -1.97 0.76 0.00 1.61 -7.23 -1.26 -1.90 120.40 110.42 1hqa s VAL 122 Ca 0.00 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1hqa s VAL 122 Cb 0.00 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1hqa s VAL 122 CO 0.00 -0.71 0.00 -0.90 -0.31 0.00 0.00 175.10 173.18 1hqa n ASP 123 N 0.34 0.00 0.11 4.85 5.68 0.16 -4.78 116.55 122.90 1hqa n ASP 123 Ca -0.15 -0.66 0.10 0.00 -0.50 0.00 0.00 54.79 53.59 1hqa n ASP 123 Cb 0.59 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.02 1hqa n ASP 123 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1hqa n ILE 124 N -0.82 0.99 0.12 2.12 -5.35 -1.26 -1.16 119.36 114.01 1hqa n ILE 124 Ca 0.00 0.37 0.11 0.00 -0.27 0.00 0.00 62.75 62.96 1hqa n ILE 124 Cb 0.00 -1.30 0.27 0.00 -1.74 0.00 0.00 39.64 36.87 1hqa n ILE 124 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1hqa n HIS 125 N -2.08 0.75 -1.93 4.28 8.25 -1.26 -4.90 115.22 118.32 1hqa n HIS 125 Ca 0.01 -0.37 -0.14 0.00 -0.26 0.00 0.00 57.72 56.96 1hqa n HIS 125 Cb 0.16 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1hqa n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1hqa n GLU 126 N 1.32 -1.08 -3.16 -0.41 1.02 -0.31 -4.99 120.64 113.04 1hqa n GLU 126 Ca 0.21 0.81 -0.38 0.00 -0.02 0.00 0.00 57.16 57.78 1hqa n GLU 126 Cb 0.54 -5.03 -0.06 0.00 -0.02 0.00 0.00 31.44 26.87 1hqa n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1hqa s LYS 127 N -4.11 4.28 0.40 3.49 2.20 -1.26 -4.73 119.74 120.00 1hqa s LYS 127 Ca 0.00 0.85 -0.24 0.00 -0.36 0.00 0.00 55.97 56.22 1hqa s LYS 127 Cb 0.00 -3.09 -0.09 0.00 -1.51 0.00 0.00 37.83 33.14 1hqa s LYS 127 CO 0.00 0.53 1.06 -0.51 -0.36 0.00 0.00 175.35 176.07 1hqa s ASP 128 N -1.36 6.74 -0.02 1.43 1.01 -1.26 -0.66 116.67 122.54 1hqa s ASP 128 Ca 0.36 2.06 0.02 0.00 0.71 0.00 0.00 52.55 55.70 1hqa s ASP 128 Cb -0.19 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1hqa s ASP 128 CO 0.21 -0.51 -0.07 -1.00 0.21 0.00 0.00 175.17 174.02 1hqa s HIS 129 N -1.64 0.70 0.45 4.23 3.76 -0.80 -4.91 115.29 117.07 1hqa s HIS 129 Ca 0.58 -0.15 -0.25 0.00 -0.15 0.00 0.00 55.06 55.09 1hqa s HIS 129 Cb -0.23 -0.51 -0.08 0.00 1.11 0.00 0.00 32.58 32.88 1hqa s HIS 129 CO 0.28 -0.07 1.34 -1.25 -0.85 0.00 0.00 174.74 174.19 1hqa s PRO 130 N 0.18 3.73 0.45 8.40 0.04 -1.26 -4.84 135.00 141.69 1hqa s PRO 130 Ca -0.02 2.22 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 1hqa s PRO 130 Cb -0.07 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1hqa s PRO 130 CO -0.00 -0.71 0.68 0.95 0.04 0.00 0.00 177.00 177.96 1hqa s THR 131 N -1.28 4.14 0.49 1.26 -4.23 -1.26 -4.51 115.64 110.26 1hqa s THR 131 Ca 0.61 -0.42 0.16 0.00 -1.18 0.00 0.00 61.69 60.86 1hqa s THR 131 Cb -0.39 -3.54 0.30 0.00 1.34 0.00 0.00 72.50 70.21 1hqa s THR 131 CO 0.50 -0.40 2.08 -0.29 -0.54 0.00 0.00 174.62 175.97 1hqa h ILE 132 N 0.39 0.95 -0.16 2.99 6.09 -1.10 -0.29 117.51 126.37 1hqa h ILE 132 Ca -0.46 -0.06 -0.10 0.00 -1.37 0.00 0.00 64.86 62.86 1hqa h ILE 132 Cb 1.25 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.30 1hqa h ILE 132 CO 0.58 0.03 -0.30 0.25 -3.07 0.00 0.00 178.15 175.64 1hqa h LEU 133 N 0.17 0.55 -0.99 2.19 6.46 -1.85 0.22 115.31 122.05 1hqa h LEU 133 Ca 0.12 -0.54 -0.05 0.00 -0.12 0.00 0.00 57.88 57.28 1hqa h LEU 133 Cb 0.27 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1hqa h LEU 133 CO -0.02 0.99 0.14 -0.33 -0.62 0.00 0.00 178.44 178.60 1hqa h GLU 134 N 0.13 0.87 -0.35 1.25 5.08 -1.50 -0.73 114.58 119.32 1hqa h GLU 134 Ca 0.01 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 1hqa h GLU 134 Cb 0.89 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1hqa h GLU 134 CO 0.07 0.78 -0.33 0.52 -1.00 0.00 0.00 179.01 179.04 1hqa h MET 135 N 0.83 0.85 -0.60 2.33 2.86 -1.04 -0.42 114.93 119.74 1hqa h MET 135 Ca 0.18 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1hqa h MET 135 Cb 0.30 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1hqa h MET 135 CO -0.00 1.08 0.27 0.00 1.06 0.00 0.00 176.91 179.32 1hqa h ALA 136 N 0.75 0.78 -0.54 6.32 0.00 -0.62 -2.03 119.26 123.92 1hqa h ALA 136 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1hqa h ALA 136 Cb 0.92 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1hqa h ALA 136 CO 0.08 0.36 0.19 -0.22 0.00 0.00 0.00 179.25 179.67 1hqa h LYS 137 N 0.83 0.82 -0.65 0.00 3.64 -0.99 -1.63 116.57 118.59 1hqa h LYS 137 Ca 0.20 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1hqa h LYS 137 Cb 0.15 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1hqa h LYS 137 CO -0.02 0.74 0.43 0.00 -2.27 0.00 0.00 179.45 178.33 1hqa h ALA 138 N 1.05 1.54 0.00 5.00 0.00 -0.70 0.92 119.26 127.07 1hqa h ALA 138 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hqa h ALA 138 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hqa h ALA 138 CO -0.01 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1hqa n ALA 139 N -2.44 2.54 -0.29 0.00 0.00 -0.79 -4.90 120.51 114.63 1hqa n ALA 139 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1hqa n ALA 139 Cb 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1hqa n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqa n GLY 140 N 0.88 0.75 3.85 0.00 0.00 0.32 -5.07 105.19 105.91 1hqa n GLY 140 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1hqa n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqa s LEU 141 N 0.00 3.78 0.52 0.99 1.02 -0.66 -4.76 118.68 119.56 1hqa s LEU 141 Ca 0.00 1.45 -0.17 0.00 0.02 0.00 0.00 54.13 55.43 1hqa s LEU 141 Cb 0.00 -4.34 -0.07 0.00 0.02 0.00 0.00 46.19 41.79 1hqa s LEU 141 CO 0.00 -0.46 1.00 0.00 0.02 0.00 0.00 176.35 176.91 1hqa s ALA 142 N -2.42 2.98 0.00 4.21 0.00 -0.32 -4.26 121.76 121.95 1hqa s ALA 142 Ca 0.57 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1hqa s ALA 142 Cb -0.10 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1hqa s ALA 142 CO 0.27 -0.32 -0.02 0.95 0.00 0.00 0.00 175.76 176.64 1hqa s THR 143 N -2.48 0.13 0.04 0.00 -4.23 -1.26 -1.27 115.64 106.57 1hqa s THR 143 Ca 0.61 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1hqa s THR 143 Cb -0.12 -0.13 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 1hqa s THR 143 CO 0.29 -0.02 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.47 1hqa s GLY 144 N -0.20 0.42 -0.17 3.99 0.00 -0.29 -1.57 107.32 109.49 1hqa s GLY 144 Ca -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 1hqa s GLY 144 CO -0.00 -0.94 0.15 0.21 0.00 0.00 0.00 173.10 172.52 1hqa s ASN 145 N -1.99 1.82 -0.05 1.64 2.47 0.06 -2.03 114.94 116.86 1hqa s ASN 145 Ca -0.06 -0.38 0.05 0.00 0.42 0.00 0.00 52.86 52.89 1hqa s ASN 145 Cb -0.04 0.04 -0.01 0.00 -1.45 0.00 0.00 41.25 39.80 1hqa s ASN 145 CO -0.03 -0.33 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.13 1hqa s VAL 146 N 2.22 1.62 0.05 -5.21 1.01 0.32 -1.83 120.40 118.58 1hqa s VAL 146 Ca 0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 1hqa s VAL 146 Cb -0.16 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.90 1hqa s VAL 146 CO -0.10 0.46 0.52 -0.55 0.00 0.00 0.00 175.10 175.43 1hqa s SER 147 N -0.05 -0.44 0.00 3.32 0.15 -0.36 -0.24 113.70 116.08 1hqa s SER 147 Ca -0.03 0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.07 1hqa s SER 147 Cb -0.12 0.49 0.70 0.00 -1.71 0.00 0.00 66.02 65.38 1hqa s SER 147 CO 0.02 -0.72 1.53 0.35 1.20 0.00 0.00 173.24 175.63 1hqa n THR 148 N 0.41 0.00 -2.23 6.45 -2.24 -1.09 -3.90 114.28 111.68 1hqa n THR 148 Ca -0.18 -0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 1hqa n THR 148 Cb 0.60 0.25 0.09 0.00 -2.10 0.00 0.00 70.33 69.18 1hqa n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqa n ALA 149 N -1.10 -0.19 -1.77 6.98 0.00 -1.26 -0.88 120.51 122.30 1hqa n ALA 149 Ca 0.09 -1.23 -0.39 0.00 0.00 0.00 0.00 53.44 51.91 1hqa n ALA 149 Cb 0.34 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 1hqa n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hqa s GLU 150 N -4.35 3.99 0.37 0.00 2.02 -1.26 -0.75 118.70 118.72 1hqa s GLU 150 Ca 0.45 2.08 0.27 0.00 0.02 0.00 0.00 54.97 57.78 1hqa s GLU 150 Cb -0.02 -2.74 1.27 0.00 0.10 0.00 0.00 34.13 32.74 1hqa s GLU 150 CO 0.30 -0.45 1.82 -0.07 0.02 0.00 0.00 175.26 176.89 1hqa h LEU 151 N 2.68 0.00 -0.14 1.80 -0.00 -1.59 -0.70 115.31 117.36 1hqa h LEU 151 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1hqa h LEU 151 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1hqa h LEU 151 CO 0.63 0.00 -0.25 0.00 -0.00 0.00 0.00 178.44 178.81 1hqa n GLN 152 N -2.49 0.33 -1.22 1.13 3.00 -1.26 -3.90 117.38 112.98 1hqa n GLN 152 Ca 0.00 -0.14 -0.32 0.00 -0.01 0.00 0.00 57.00 56.53 1hqa n GLN 152 Cb 0.17 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 29.01 1hqa n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1hqa s ASP 153 N -2.77 4.18 0.23 1.08 2.15 -0.27 -4.73 116.67 116.53 1hqa s ASP 153 Ca 0.19 2.00 -0.16 0.00 0.43 0.00 0.00 52.55 55.00 1hqa s ASP 153 Cb 0.19 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.53 1hqa s ASP 153 CO 0.58 -2.26 1.56 0.00 -0.17 0.00 0.00 175.17 174.88 1hqa h ALA 154 N -1.04 0.24 0.54 3.66 0.00 -1.89 -2.20 119.26 118.57 1hqa h ALA 154 Ca -0.44 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1hqa h ALA 154 Cb 1.25 0.92 0.01 0.00 0.00 0.00 0.00 17.79 19.96 1hqa h ALA 154 CO 0.49 -0.57 -0.26 1.15 0.00 0.00 0.00 179.25 180.06 1hqa h THR 155 N -0.02 0.46 0.00 0.00 2.02 -1.92 -1.63 112.91 111.82 1hqa h THR 155 Ca 0.36 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.40 1hqa h THR 155 Cb 0.61 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1hqa h THR 155 CO -0.95 0.01 -0.35 1.55 0.37 0.00 0.00 175.52 176.15 1hqa h PRO 156 N -0.77 0.00 -0.26 6.66 0.13 -1.83 -3.34 132.00 132.60 1hqa h PRO 156 Ca -0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.91 1hqa h PRO 156 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1hqa h PRO 156 CO 0.12 0.35 -0.42 0.00 -0.23 0.00 0.00 178.00 177.83 1hqa h ALA 157 N 1.65 0.78 0.00 -0.56 0.00 -1.27 -3.08 119.26 116.79 1hqa h ALA 157 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1hqa h ALA 157 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1hqa h ALA 157 CO 0.05 0.66 0.06 0.00 0.00 0.00 0.00 179.25 180.01 1hqa h ALA 158 N 1.02 1.06 0.00 0.00 0.00 -1.41 0.01 119.26 119.93 1hqa h ALA 158 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1hqa h ALA 158 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1hqa h ALA 158 CO 0.08 -0.06 -0.28 -0.07 0.00 0.00 0.00 179.25 178.93 1hqa h LEU 159 N 0.00 0.00 -0.38 0.00 4.07 -1.74 -3.39 115.31 113.87 1hqa h LEU 159 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1hqa h LEU 159 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1hqa h LEU 159 CO 0.00 0.00 0.00 1.33 -1.08 0.00 0.00 178.44 178.69 1hqa n VAL 160 N -2.91 0.00 -4.20 1.22 0.24 -0.64 -4.38 118.33 107.66 1hqa n VAL 160 Ca 0.03 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1hqa n VAL 160 Cb 0.53 1.50 -0.10 0.00 -1.47 0.00 0.00 33.84 34.29 1hqa n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hqa s ALA 161 N -0.05 1.17 -0.28 2.33 0.00 -0.10 -4.21 121.76 120.62 1hqa s ALA 161 Ca 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 1hqa s ALA 161 Cb 0.00 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.29 1hqa s ALA 161 CO 0.00 -0.11 0.12 -1.01 0.00 0.00 0.00 175.76 174.76 1hqa s HIS 162 N -3.01 0.51 0.04 0.00 0.09 -1.25 -3.88 115.29 107.79 1hqa s HIS 162 Ca 0.10 -0.96 -0.02 0.00 -0.00 0.00 0.00 55.06 54.18 1hqa s HIS 162 Cb 0.01 -1.00 -0.02 0.00 -0.00 0.00 0.00 32.58 31.56 1hqa s HIS 162 CO -0.01 -0.81 0.01 0.14 -0.00 0.00 0.00 174.74 174.06 1hqa s VAL 163 N 2.03 0.16 -0.70 -0.90 -7.23 -0.04 -4.95 120.40 108.77 1hqa s VAL 163 Ca 0.09 -1.30 0.25 0.00 -1.81 0.00 0.00 61.98 59.21 1hqa s VAL 163 Cb -0.16 -0.92 0.27 0.00 0.56 0.00 0.00 36.38 36.12 1hqa s VAL 163 CO -0.33 -0.72 1.77 0.35 -0.31 0.00 0.00 175.10 175.86 1hqa n THR 164 N 0.79 0.61 -3.74 5.32 -2.24 -1.26 -2.05 114.28 111.70 1hqa n THR 164 Ca -0.19 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1hqa n THR 164 Cb 0.58 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 1hqa n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hqa s SER 165 N -4.27 -0.17 0.66 3.42 0.15 -1.26 -4.35 113.70 107.88 1hqa s SER 165 Ca 0.09 0.39 0.40 0.00 0.70 0.00 0.00 55.95 57.53 1hqa s SER 165 Cb 0.12 0.28 2.21 0.00 -1.71 0.00 0.00 66.02 66.92 1hqa s SER 165 CO 0.53 -0.15 2.26 0.08 1.20 0.00 0.00 173.24 177.16 1hqa h ARG 166 N 7.15 0.00 0.00 5.44 0.11 -0.67 -1.72 114.38 124.68 1hqa h ARG 166 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1hqa h ARG 166 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1hqa h ARG 166 CO 0.40 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.10 1hqa n LYS 167 N -3.10 0.09 -1.53 0.08 5.02 -1.26 -4.37 118.16 113.10 1hqa n LYS 167 Ca -0.03 0.14 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 1hqa n LYS 167 Cb 0.15 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1hqa n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqa h TYR 169 N 5.40 -0.76 -2.84 0.00 -1.99 -1.88 -1.73 116.97 113.17 1hqa h TYR 169 Ca 0.74 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.41 1hqa h TYR 169 Cb 0.43 0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 1hqa h TYR 169 CO 1.69 -0.42 -0.05 0.41 -0.00 0.00 0.00 178.16 179.79 1hqa n GLY 170 N -1.41 3.98 0.25 3.88 0.00 -1.26 -1.97 105.19 108.66 1hqa n GLY 170 Ca -0.10 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.08 1hqa n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hqa h PRO 171 N 0.00 0.06 -0.05 1.61 0.11 -1.90 -1.51 132.00 130.32 1hqa h PRO 171 Ca -0.03 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1hqa h PRO 171 Cb 0.12 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 1hqa h PRO 171 CO 0.05 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 178.54 1hqa h SER 172 N 0.06 0.08 -0.26 -2.05 4.64 -1.97 -1.43 113.55 112.62 1hqa h SER 172 Ca 0.33 -0.31 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1hqa h SER 172 Cb 0.54 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1hqa h SER 172 CO -0.61 0.37 -0.02 0.00 -0.87 0.00 0.00 176.83 175.70 1hqa h ALA 173 N 0.72 1.27 -0.13 5.18 0.00 -1.87 -3.08 119.26 121.34 1hqa h ALA 173 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1hqa h ALA 173 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1hqa h ALA 173 CO 0.00 0.49 0.05 1.15 0.00 0.00 0.00 179.25 180.94 1hqa h THR 174 N 0.57 1.16 -0.72 0.00 2.02 -1.06 0.41 112.91 115.28 1hqa h THR 174 Ca 0.12 -0.47 0.11 0.00 0.77 0.00 0.00 66.41 66.94 1hqa h THR 174 Cb 0.40 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1hqa h THR 174 CO 0.02 0.14 0.48 0.28 0.37 0.00 0.00 175.52 176.80 1hqa h SER 175 N 0.05 0.49 0.34 4.18 0.02 -1.23 0.61 113.55 118.01 1hqa h SER 175 Ca 0.04 0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.68 1hqa h SER 175 Cb 0.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1hqa h SER 175 CO -0.00 0.28 -1.63 -0.08 -1.14 0.00 0.00 176.83 174.26 1hqa h GLU 176 N 0.53 0.31 0.00 3.45 4.81 -1.39 -3.36 114.58 118.93 1hqa h GLU 176 Ca 0.34 -0.54 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 1hqa h GLU 176 Cb 0.60 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1hqa h GLU 176 CO -0.11 1.20 -1.69 1.63 -0.73 0.00 0.00 179.01 179.31 1hqa n LYS 177 N -3.51 0.97 -3.18 1.92 5.02 0.14 -4.71 118.16 114.81 1hqa n LYS 177 Ca -0.20 -0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 55.77 1hqa n LYS 177 Cb 1.06 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 34.70 1hqa n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqa h PRO 179 N 3.51 0.36 0.00 0.00 0.11 -1.69 0.33 132.00 134.63 1hqa h PRO 179 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1hqa h PRO 179 Cb 0.75 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1hqa h PRO 179 CO 0.66 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 1hqa n GLY 180 N -1.34 -0.96 0.00 -0.55 0.00 -1.26 -2.60 105.19 98.49 1hqa n GLY 180 Ca 0.15 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.30 1hqa n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqa n ASN 181 N -1.94 1.23 -4.68 1.61 4.13 0.11 -4.16 115.26 111.56 1hqa n ASN 181 Ca 0.01 -0.45 -0.45 0.00 1.68 0.00 0.00 54.58 55.36 1hqa n ASN 181 Cb 0.12 1.24 -0.04 0.00 -1.54 0.00 0.00 39.78 39.57 1hqa n ASN 181 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hqa n ALA 182 N -1.56 1.35 -0.29 5.41 0.00 -0.64 0.23 120.51 124.99 1hqa n ALA 182 Ca 0.00 0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.85 1hqa n ALA 182 Cb 0.25 -2.55 0.28 0.00 0.00 0.00 0.00 19.45 17.43 1hqa n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hqa h LEU 183 N 9.18 0.18 -0.47 0.00 5.85 -1.88 0.69 115.31 128.86 1hqa h LEU 183 Ca -0.48 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1hqa h LEU 183 Cb 1.25 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1hqa h LEU 183 CO 0.94 -0.06 0.00 -1.84 -0.34 0.00 0.00 178.44 177.14 1hqa n GLU 184 N -5.12 0.11 -0.75 1.25 0.00 -1.26 -1.86 120.64 113.00 1hqa n GLU 184 Ca 0.21 0.39 0.01 0.00 0.00 0.00 0.00 57.16 57.76 1hqa n GLU 184 Cb 0.63 -1.72 0.28 0.00 0.00 0.00 0.00 31.44 30.63 1hqa n GLU 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1hqa n LYS 185 N -1.93 3.21 -0.69 3.44 5.02 0.18 -4.94 118.16 122.44 1hqa n LYS 185 Ca 0.02 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 1hqa n LYS 185 Cb 0.18 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1hqa n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hqa n GLY 186 N -0.39 1.19 3.81 0.72 0.00 -0.78 -4.92 105.19 104.82 1hqa n GLY 186 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1hqa n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqa s GLY 187 N -1.86 1.69 0.51 -0.02 0.00 -0.84 -4.97 107.32 101.82 1hqa s GLY 187 Ca 0.00 -1.03 0.32 0.00 0.00 0.00 0.00 44.72 44.01 1hqa s GLY 187 CO 0.00 -0.26 1.93 0.50 0.00 0.00 0.00 173.10 175.27 1hqa h LYS 188 N -1.91 0.00 0.00 2.90 1.57 -1.78 -3.38 116.57 113.97 1hqa h LYS 188 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1hqa h LYS 188 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1hqa h LYS 188 CO 0.40 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 1hqa n GLY 189 N 0.13 1.38 3.83 3.86 0.00 0.13 -4.58 105.19 109.94 1hqa n GLY 189 Ca 0.01 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 1hqa n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hqa s SER 190 N 0.00 3.90 0.18 1.61 1.04 -1.26 -4.68 113.70 114.49 1hqa s SER 190 Ca 0.00 0.91 -0.15 0.00 0.48 0.00 0.00 55.95 57.19 1hqa s SER 190 Cb 0.00 -1.46 0.15 0.00 0.10 0.00 0.00 66.02 64.81 1hqa s SER 190 CO 0.00 -2.30 1.67 0.40 0.98 0.00 0.00 173.24 173.99 1hqa h ILE 191 N -1.33 0.59 -0.52 -1.02 2.04 -1.35 0.14 117.51 116.05 1hqa h ILE 191 Ca -0.49 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1hqa h ILE 191 Cb 1.33 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1hqa h ILE 191 CO 0.63 0.01 0.10 0.74 0.00 0.00 0.00 178.15 179.63 1hqa h THR 192 N 0.05 1.23 -0.37 -0.27 2.02 -1.65 0.41 112.91 114.33 1hqa h THR 192 Ca 0.23 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1hqa h THR 192 Cb 0.35 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1hqa h THR 192 CO -0.43 0.31 -0.16 -0.33 0.37 0.00 0.00 175.52 175.28 1hqa h GLU 193 N 0.78 0.76 -0.07 6.66 5.08 -1.59 -0.28 114.58 125.93 1hqa h GLU 193 Ca 0.17 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1hqa h GLU 193 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1hqa h GLU 193 CO 0.00 0.94 -0.42 1.96 -1.00 0.00 0.00 179.01 180.49 1hqa h GLN 194 N 0.55 0.15 -0.30 2.33 4.20 -0.47 -1.42 115.11 120.15 1hqa h GLN 194 Ca 0.08 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1hqa h GLN 194 Cb 0.70 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1hqa h GLN 194 CO 0.05 0.55 0.08 1.25 -0.67 0.00 0.00 178.83 180.09 1hqa h LEU 195 N 0.13 0.44 -1.50 1.46 6.46 -0.60 0.14 115.31 121.82 1hqa h LEU 195 Ca 0.01 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 1hqa h LEU 195 Cb 0.80 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1hqa h LEU 195 CO 0.06 0.54 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.28 1hqa h LEU 196 N 0.32 0.21 -0.10 2.25 4.07 -0.54 -2.94 115.31 118.58 1hqa h LEU 196 Ca 0.09 -0.03 -0.24 0.00 0.08 0.00 0.00 57.88 57.78 1hqa h LEU 196 Cb 0.27 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 41.96 1hqa h LEU 196 CO -0.00 0.32 -1.00 0.78 -1.08 0.00 0.00 178.44 177.46 1hqa h ASN 197 N 0.22 0.63 0.07 -0.43 2.35 -0.67 -3.30 115.58 114.44 1hqa h ASN 197 Ca 0.05 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1hqa h ASN 197 Cb 0.28 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1hqa h ASN 197 CO 0.01 1.32 -0.04 0.00 -1.65 0.00 0.00 177.43 177.08 1hqa h ALA 198 N 0.63 1.70 -6.49 -0.83 0.00 -0.56 -3.47 119.26 110.24 1hqa h ALA 198 Ca -0.10 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.28 1hqa h ALA 198 Cb 1.65 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 19.48 1hqa h ALA 198 CO 0.18 0.05 -0.97 -2.13 0.00 0.00 0.00 179.25 176.38 1hqa n ARG 199 N -4.16 -0.88 -1.22 0.00 0.63 -1.20 -4.95 116.66 104.88 1hqa n ARG 199 Ca -0.03 0.32 -0.31 0.00 -0.92 0.00 0.00 57.85 56.91 1hqa n ARG 199 Cb 0.13 -3.55 0.10 0.00 0.45 0.00 0.00 32.46 29.59 1hqa n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hqa s ALA 200 N -3.49 2.17 0.16 5.13 0.00 -1.26 -4.94 121.76 119.53 1hqa s ALA 200 Ca 0.48 0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1hqa s ALA 200 Cb -0.21 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1hqa s ALA 200 CO 0.90 -1.86 1.46 -0.44 0.00 0.00 0.00 175.76 175.82 1hqa h ASP 201 N -1.15 0.80 -3.22 0.00 3.32 -1.62 -3.42 116.42 111.13 1hqa h ASP 201 Ca -0.44 -0.43 -0.51 0.00 0.02 0.00 0.00 57.03 55.67 1hqa h ASP 201 Cb 1.24 -0.23 -0.37 0.00 0.22 0.00 0.00 39.33 40.19 1hqa h ASP 201 CO 0.50 1.19 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.72 1hqa s VAL 202 N -4.06 0.93 -0.09 -1.35 1.01 -0.81 -0.77 120.40 115.26 1hqa s VAL 202 Ca -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1hqa s VAL 202 Cb 0.11 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1hqa s VAL 202 CO 0.87 0.35 -0.04 -0.89 0.00 0.00 0.00 175.10 175.38 1hqa s THR 203 N 1.64 0.71 -0.03 3.92 2.01 -0.66 -0.76 115.64 122.46 1hqa s THR 203 Ca 0.03 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1hqa s THR 203 Cb -0.13 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1hqa s THR 203 CO -0.07 0.31 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.38 1hqa s LEU 204 N 1.71 1.44 0.00 4.42 1.43 -0.76 -0.52 118.68 126.40 1hqa s LEU 204 Ca 0.03 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1hqa s LEU 204 Cb -0.13 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1hqa s LEU 204 CO -0.06 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1hqa n GLY 205 N 3.81 -0.61 0.00 -3.19 0.00 -0.65 -1.22 105.19 103.32 1hqa n GLY 205 Ca -0.23 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1hqa n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqa n GLY 206 N 0.00 3.90 1.00 -0.02 0.00 0.07 -0.87 105.19 109.27 1hqa n GLY 206 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1hqa n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqa n GLY 207 N 5.00 1.06 0.19 -0.02 0.00 -0.20 -1.56 105.19 109.66 1hqa n GLY 207 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.63 1hqa n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa h ALA 208 N 0.00 1.10 -0.01 4.61 0.00 -0.98 -3.30 119.26 120.69 1hqa h ALA 208 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1hqa h ALA 208 Cb 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1hqa h ALA 208 CO 0.00 0.46 -0.51 -0.22 0.00 0.00 0.00 179.25 178.98 1hqa h LYS 209 N 0.00 -0.62 -0.31 0.00 3.64 -1.64 -1.79 116.57 115.85 1hqa h LYS 209 Ca -0.00 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1hqa h LYS 209 Cb 0.80 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1hqa h LYS 209 CO 0.05 -0.42 0.24 1.15 -2.27 0.00 0.00 179.45 178.20 1hqa h THR 210 N -0.65 0.72 0.00 1.00 2.02 -1.83 -0.26 112.91 113.92 1hqa h THR 210 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1hqa h THR 210 Cb 0.71 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1hqa h THR 210 CO -0.36 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.02 1hqa n PHE 211 N -4.26 0.00 1.21 3.16 3.01 -0.67 -1.31 117.46 118.59 1hqa n PHE 211 Ca 0.04 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.63 1hqa n PHE 211 Cb 0.41 -0.21 0.41 0.00 -0.01 0.00 0.00 39.48 40.08 1hqa n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hqa n ALA 212 N -1.21 3.08 -1.56 4.37 0.00 -0.11 -1.01 120.51 124.07 1hqa n ALA 212 Ca 0.06 -0.34 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 1hqa n ALA 212 Cb 0.08 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.39 1hqa n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hqa s GLU 213 N -2.65 2.92 -0.03 0.00 2.02 -0.43 -4.77 118.70 115.77 1hqa s GLU 213 Ca 0.21 0.96 0.03 0.00 0.02 0.00 0.00 54.97 56.20 1hqa s GLU 213 Cb 0.19 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 1hqa s GLU 213 CO 0.56 -1.11 -0.09 0.95 0.02 0.00 0.00 175.26 175.58 1hqa s THR 214 N -3.03 3.46 0.31 3.63 -4.23 -1.26 -0.93 115.64 113.59 1hqa s THR 214 Ca 0.58 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 60.10 1hqa s THR 214 Cb -0.14 -2.44 -0.10 0.00 1.34 0.00 0.00 72.50 71.16 1hqa s THR 214 CO 0.55 0.50 1.34 0.00 -0.54 0.00 0.00 174.62 176.47 1hqa s ALA 215 N -0.87 3.52 -0.86 3.99 0.00 -0.75 -4.82 121.76 121.97 1hqa s ALA 215 Ca 0.14 1.28 0.26 0.00 0.00 0.00 0.00 51.96 53.64 1hqa s ALA 215 Cb -0.11 -3.50 0.75 0.00 0.00 0.00 0.00 23.12 20.26 1hqa s ALA 215 CO 0.04 -0.67 1.62 0.25 0.00 0.00 0.00 175.76 176.99 1hqa n THR 216 N 1.15 0.20 -3.27 0.00 -2.24 -1.26 -1.16 114.28 107.70 1hqa n THR 216 Ca 0.02 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1hqa n THR 216 Cb 0.41 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1hqa n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqa n ALA 217 N -1.63 -0.57 -0.32 6.98 0.00 -1.26 -4.80 120.51 118.90 1hqa n ALA 217 Ca 0.05 -0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.15 1hqa n ALA 217 Cb 0.38 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 1hqa n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqa n GLY 218 N -0.17 -2.02 0.39 0.00 0.00 -1.26 -2.91 105.19 99.21 1hqa n GLY 218 Ca -0.02 -1.39 0.17 0.00 0.00 0.00 0.00 46.02 44.77 1hqa n GLY 218 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hqa h GLU 219 N 0.00 0.53 -0.63 1.61 5.08 -2.01 -1.50 114.58 117.65 1hqa h GLU 219 Ca 0.00 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 1hqa h GLU 219 Cb 0.20 -0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.20 1hqa h GLU 219 CO 0.00 0.35 0.22 0.91 -1.00 0.00 0.00 179.01 179.49 1hqa n TRP 220 N -4.59 2.06 -1.62 4.33 8.01 -1.26 -5.00 117.44 119.37 1hqa n TRP 220 Ca 0.21 -1.31 -0.46 0.00 -1.31 0.00 0.00 57.50 54.63 1hqa n TRP 220 Cb 0.65 -0.63 -0.03 0.00 -2.01 0.00 0.00 31.31 29.29 1hqa n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1hqa n GLN 221 N -0.52 1.61 0.00 -0.99 7.27 -0.57 -0.97 117.38 123.21 1hqa n GLN 221 Ca 0.39 0.57 0.00 0.00 0.07 0.00 0.00 57.00 58.03 1hqa n GLN 221 Cb 1.29 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.83 1hqa n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hqa n GLY 222 N 1.81 2.90 3.88 1.69 0.00 -0.31 -4.92 105.19 110.24 1hqa n GLY 222 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1hqa n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqa s LYS 223 N -0.09 3.79 0.59 1.61 3.01 -0.15 -4.84 119.74 123.66 1hqa s LYS 223 Ca 0.00 0.32 -0.13 0.00 -1.01 0.00 0.00 55.97 55.15 1hqa s LYS 223 Cb 0.00 -2.56 -0.05 0.00 -1.01 0.00 0.00 37.83 34.21 1hqa s LYS 223 CO 0.00 0.19 1.02 0.95 0.51 0.00 0.00 175.35 178.02 1hqa s THR 224 N -2.03 4.52 0.58 2.17 -4.23 -1.26 -1.80 115.64 113.59 1hqa s THR 224 Ca 0.49 0.99 0.28 0.00 -1.18 0.00 0.00 61.69 62.26 1hqa s THR 224 Cb -0.11 -3.74 0.35 0.00 1.34 0.00 0.00 72.50 70.34 1hqa s THR 224 CO 0.25 -0.91 2.19 -0.07 -0.54 0.00 0.00 174.62 175.54 1hqa h LEU 225 N 0.16 0.00 -0.25 4.79 4.07 -0.82 0.38 115.31 123.64 1hqa h LEU 225 Ca -0.45 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.41 1hqa h LEU 225 Cb 1.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1hqa h LEU 225 CO 0.61 0.00 -0.24 -0.09 -1.08 0.00 0.00 178.44 177.64 1hqa h ARG 226 N 0.00 0.61 -0.40 1.13 2.43 -1.35 -1.00 114.38 115.80 1hqa h ARG 226 Ca 0.03 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1hqa h ARG 226 Cb 0.16 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1hqa h ARG 226 CO -0.00 0.91 0.21 0.93 -1.51 0.00 0.00 179.97 180.51 1hqa h GLU 227 N 0.32 0.57 -0.59 0.20 5.08 -1.30 -1.90 114.58 116.97 1hqa h GLU 227 Ca 0.04 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1hqa h GLU 227 Cb 0.80 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.86 1hqa h GLU 227 CO 0.06 0.48 0.17 0.37 -1.00 0.00 0.00 179.01 179.09 1hqa h GLN 228 N 0.52 0.31 -0.24 2.33 4.15 -0.85 0.26 115.11 121.58 1hqa h GLN 228 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1hqa h GLN 228 Cb 0.09 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1hqa h GLN 228 CO -0.02 0.21 0.15 0.00 -1.93 0.00 0.00 178.83 177.24 1hqa h ALA 229 N 1.44 0.30 -0.58 3.38 0.00 -0.67 0.33 119.26 123.46 1hqa h ALA 229 Ca 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1hqa h ALA 229 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1hqa h ALA 229 CO -0.35 -0.21 0.38 1.96 0.00 0.00 0.00 179.25 181.03 1hqa h GLN 230 N 0.32 0.76 -0.74 0.00 4.20 -0.80 -1.35 115.11 117.49 1hqa h GLN 230 Ca 0.09 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1hqa h GLN 230 Cb -0.02 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1hqa h GLN 230 CO -0.02 0.51 0.49 0.00 -0.67 0.00 0.00 178.83 179.14 1hqa h ALA 231 N 1.21 0.94 0.00 3.87 0.00 0.45 -0.82 119.26 124.92 1hqa h ALA 231 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hqa h ALA 231 Cb -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1hqa h ALA 231 CO -0.05 0.35 0.00 0.54 0.00 0.00 0.00 179.25 180.10 1hqa n ARG 232 N -4.57 1.00 -0.32 0.00 1.74 0.11 -4.89 116.66 109.72 1hqa n ARG 232 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1hqa n ARG 232 Cb 0.02 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1hqa n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hqa n GLY 233 N 0.79 0.81 3.78 -0.13 0.00 -0.31 -5.01 105.19 105.13 1hqa n GLY 233 Ca 0.14 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1hqa n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hqa s TYR 234 N -2.00 3.52 -0.26 1.61 1.51 -0.56 -4.18 117.35 116.99 1hqa s TYR 234 Ca 0.00 1.72 -0.20 0.00 -1.01 0.00 0.00 57.07 57.58 1hqa s TYR 234 Cb 0.00 -2.99 -0.02 0.00 -0.11 0.00 0.00 41.96 38.84 1hqa s TYR 234 CO 0.00 -0.10 0.60 -0.65 -1.11 0.00 0.00 175.55 174.29 1hqa s GLN 235 N -2.30 4.08 -0.22 -0.62 -0.21 0.13 -4.55 119.66 115.96 1hqa s GLN 235 Ca 0.54 0.46 -0.10 0.00 0.02 0.00 0.00 55.36 56.28 1hqa s GLN 235 Cb -0.19 -3.66 -0.05 0.00 1.00 0.00 0.00 33.01 30.11 1hqa s GLN 235 CO 0.24 -0.41 0.14 -0.51 -2.12 0.00 0.00 175.29 172.63 1hqa s LEU 236 N 2.46 4.08 0.10 2.90 1.02 -1.26 -0.91 118.68 127.07 1hqa s LEU 236 Ca 0.25 0.12 0.08 0.00 0.02 0.00 0.00 54.13 54.60 1hqa s LEU 236 Cb -0.15 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 1hqa s LEU 236 CO 0.09 0.10 -0.20 0.68 0.02 0.00 0.00 176.35 177.05 1hqa s VAL 237 N 0.83 1.62 0.00 -1.59 -7.23 -0.87 -5.00 120.40 108.15 1hqa s VAL 237 Ca 0.07 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1hqa s VAL 237 Cb -0.13 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1hqa s VAL 237 CO 0.02 -0.11 0.52 -1.54 -0.31 0.00 0.00 175.10 173.68 1hqa n SER 238 N 1.06 0.27 -3.95 4.85 3.41 -1.26 -1.44 113.62 116.56 1hqa n SER 238 Ca -0.19 -1.13 -0.09 0.00 -0.26 0.00 0.00 58.87 57.20 1hqa n SER 238 Cb 0.54 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 1hqa n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1hqa s ASP 239 N -0.13 -0.12 0.23 4.04 1.47 -1.26 -4.61 116.67 116.29 1hqa s ASP 239 Ca 0.00 -0.85 -0.08 0.00 1.18 0.00 0.00 52.55 52.81 1hqa s ASP 239 Cb 0.00 0.59 0.21 0.00 -0.34 0.00 0.00 42.92 43.37 1hqa s ASP 239 CO 0.00 -1.13 1.88 0.00 0.68 0.00 0.00 175.17 176.60 1hqa h ALA 240 N 2.24 1.12 -0.05 2.11 0.00 -1.29 -0.89 119.26 122.51 1hqa h ALA 240 Ca -0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1hqa h ALA 240 Cb 1.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1hqa h ALA 240 CO 0.35 0.57 0.01 0.00 0.00 0.00 0.00 179.25 180.18 1hqa h ALA 241 N 1.30 0.06 -0.19 0.00 0.00 -1.89 -0.48 119.26 118.06 1hqa h ALA 241 Ca 0.32 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1hqa h ALA 241 Cb -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hqa h ALA 241 CO -0.06 -0.30 -0.11 0.66 0.00 0.00 0.00 179.25 179.44 1hqa h SER 242 N -0.17 0.28 -0.71 0.00 4.64 -1.96 -1.03 113.55 114.59 1hqa h SER 242 Ca 0.01 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1hqa h SER 242 Cb 0.27 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1hqa h SER 242 CO 0.00 0.42 0.23 0.25 -0.87 0.00 0.00 176.83 176.86 1hqa h LEU 243 N 0.28 1.04 -1.19 5.97 5.85 -0.72 -2.42 115.31 124.12 1hqa h LEU 243 Ca 0.06 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1hqa h LEU 243 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1hqa h LEU 243 CO 0.02 0.96 -0.35 0.78 -0.34 0.00 0.00 178.44 179.52 1hqa h ASN 244 N 1.07 0.11 0.88 1.25 -0.26 -0.01 -2.62 115.58 115.99 1hqa h ASN 244 Ca 0.23 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1hqa h ASN 244 Cb 0.29 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1hqa h ASN 244 CO -0.01 0.45 0.00 0.28 -1.06 0.00 0.00 177.43 177.09 1hqa h SER 245 N 0.09 0.00 -3.27 5.81 0.02 -0.72 -3.44 113.55 112.04 1hqa h SER 245 Ca 0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.44 1hqa h SER 245 Cb 0.66 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.24 1hqa h SER 245 CO 0.05 0.00 0.74 -0.69 -1.14 0.00 0.00 176.83 175.79 1hqa s VAL 246 N -3.67 2.89 -0.01 2.27 1.01 -0.99 -4.89 120.40 117.01 1hqa s VAL 246 Ca 0.01 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1hqa s VAL 246 Cb 0.09 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1hqa s VAL 246 CO 0.51 0.10 0.02 0.35 0.00 0.00 0.00 175.10 176.08 1hqa n THR 247 N 2.80 0.00 -3.80 3.92 -2.24 -1.26 -5.03 114.28 108.67 1hqa n THR 247 Ca 0.08 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1hqa n THR 247 Cb 0.41 0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 69.16 1hqa n THR 247 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1hqa s GLU 248 N -1.75 0.22 -0.10 -0.78 2.12 -1.26 -4.97 118.70 112.18 1hqa s GLU 248 Ca -0.00 0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.58 1hqa s GLU 248 Cb 0.00 0.08 0.05 0.00 0.26 0.00 0.00 34.13 34.53 1hqa s GLU 248 CO 0.03 -0.04 0.19 0.00 -0.54 0.00 0.00 175.26 174.90 1hqa s ALA 249 N 0.22 -0.26 0.18 6.30 0.00 -1.26 -4.90 121.76 122.04 1hqa s ALA 249 Ca -0.01 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 1hqa s ALA 249 Cb -0.02 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.25 1hqa s ALA 249 CO -0.01 -0.59 0.36 0.27 0.00 0.00 0.00 175.76 175.80 1hqa n ASN 250 N 5.33 -1.06 0.10 0.00 0.23 -0.73 -4.84 115.26 114.29 1hqa n ASN 250 Ca -0.05 -1.74 0.16 0.00 -0.53 0.00 0.00 54.58 52.42 1hqa n ASN 250 Cb 0.50 1.77 0.69 0.00 -2.08 0.00 0.00 39.78 40.65 1hqa n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1hqa h GLN 251 N 0.00 0.00 0.09 -3.83 1.08 -1.92 0.40 115.11 110.93 1hqa h GLN 251 Ca -0.16 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.75 1hqa h GLN 251 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1hqa h GLN 251 CO 0.20 0.00 -1.46 -0.56 -0.95 0.00 0.00 178.83 176.05 1hqa h GLN 252 N 0.00 0.19 -2.12 1.46 -0.00 -1.96 -3.38 115.11 109.30 1hqa h GLN 252 Ca 0.16 -0.33 -0.58 0.00 -0.00 0.00 0.00 58.65 57.90 1hqa h GLN 252 Cb 0.65 0.12 -0.41 0.00 -0.00 0.00 0.00 27.48 27.85 1hqa h GLN 252 CO -0.00 1.04 -0.83 1.63 -0.00 0.00 0.00 178.83 180.67 1hqa n LYS 253 N -3.40 1.65 -2.30 0.06 5.02 -0.46 -4.84 118.16 113.88 1hqa n LYS 253 Ca -0.14 -3.98 -0.37 0.00 -2.02 0.00 0.00 58.31 51.80 1hqa n LYS 253 Cb 1.03 -1.77 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1hqa n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1hqa s PRO 254 N -1.83 3.78 -0.18 1.97 0.04 0.13 -1.78 135.00 137.13 1hqa s PRO 254 Ca 0.37 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 1hqa s PRO 254 Cb 0.15 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1hqa s PRO 254 CO -0.06 -0.52 0.26 -1.17 0.04 0.00 0.00 177.00 175.55 1hqa s LEU 255 N -3.05 4.22 -0.22 -3.56 2.96 0.05 0.17 118.68 119.25 1hqa s LEU 255 Ca 0.64 0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 54.97 1hqa s LEU 255 Cb -0.27 -2.31 0.06 0.00 0.50 0.00 0.00 46.19 44.17 1hqa s LEU 255 CO 0.33 0.10 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.21 1hqa s LEU 256 N 0.55 2.16 -0.25 -0.68 2.96 -0.09 -1.66 118.68 121.67 1hqa s LEU 256 Ca 0.14 -1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 52.91 1hqa s LEU 256 Cb -0.13 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 1hqa s LEU 256 CO 0.03 -0.25 0.11 -0.83 -1.32 0.00 0.00 176.35 174.09 1hqa s GLY 257 N 1.53 1.83 -0.31 7.98 0.00 0.32 -2.05 107.32 116.62 1hqa s GLY 257 Ca -0.04 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.59 1hqa s GLY 257 CO -0.07 0.54 -0.00 1.08 0.00 0.00 0.00 173.10 174.65 1hqa s LEU 258 N 1.58 4.04 0.00 0.66 1.43 -0.52 -1.64 118.68 124.24 1hqa s LEU 258 Ca 0.06 -1.54 0.17 0.00 -1.03 0.00 0.00 54.13 51.79 1hqa s LEU 258 Cb -0.15 -1.66 0.42 0.00 0.03 0.00 0.00 46.19 44.83 1hqa s LEU 258 CO 0.06 -0.29 1.34 0.49 0.23 0.00 0.00 176.35 178.18 1hqa n PHE 259 N 4.50 0.60 -3.57 0.29 3.72 -0.05 -4.26 117.46 118.69 1hqa n PHE 259 Ca -0.10 -0.42 -0.09 0.00 -0.05 0.00 0.00 57.45 56.80 1hqa n PHE 259 Cb 0.42 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.91 1hqa n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hqa s ALA 260 N -1.07 -1.94 0.19 4.37 0.00 -1.26 -4.95 121.76 117.09 1hqa s ALA 260 Ca 0.33 1.50 -0.09 0.00 0.00 0.00 0.00 51.96 53.70 1hqa s ALA 260 Cb 0.18 -0.49 0.10 0.00 0.00 0.00 0.00 23.12 22.91 1hqa s ALA 260 CO 0.24 -0.41 1.70 -0.44 0.00 0.00 0.00 175.76 176.86 1hqa h ASP 261 N 2.36 1.03 0.00 0.00 3.32 -1.94 -1.54 116.42 119.65 1hqa h ASP 261 Ca -0.17 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1hqa h ASP 261 Cb 1.18 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1hqa h ASP 261 CO 0.30 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.43 1hqa n GLY 262 N -0.65 1.87 3.77 2.75 0.00 -1.26 -1.98 105.19 109.70 1hqa n GLY 262 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1hqa n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hqa s ASN 263 N 0.79 6.92 0.76 1.61 0.01 -1.26 -1.03 114.94 122.73 1hqa s ASN 263 Ca 0.00 2.10 -0.13 0.00 -0.71 0.00 0.00 52.86 54.11 1hqa s ASN 263 Cb 0.00 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 39.12 1hqa s ASN 263 CO 0.00 -0.38 1.16 -0.04 -1.51 0.00 0.00 177.10 176.33 1hqa s MET 264 N -2.17 2.05 0.56 -0.60 -1.94 -0.05 -4.92 119.30 112.22 1hqa s MET 264 Ca 0.54 1.58 -0.21 0.00 -1.71 0.00 0.00 55.69 55.89 1hqa s MET 264 Cb -0.25 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.70 1hqa s MET 264 CO 0.31 -1.86 1.33 -0.35 -0.01 0.00 0.00 175.02 174.44 1hqa n PRO 265 N -3.06 1.59 -2.67 2.03 -0.05 -1.26 -4.97 135.00 126.61 1hqa n PRO 265 Ca 0.12 0.59 -0.33 0.00 -0.05 0.00 0.00 63.50 63.83 1hqa n PRO 265 Cb 0.51 -2.54 -0.06 0.00 -0.05 0.00 0.00 33.50 31.37 1hqa n PRO 265 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1hqa s VAL 266 N -1.31 4.33 0.12 0.52 1.01 -1.26 -4.93 120.40 118.88 1hqa s VAL 266 Ca 0.73 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.95 1hqa s VAL 266 Cb -0.42 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 1hqa s VAL 266 CO 0.48 -0.40 1.46 -0.09 0.00 0.00 0.00 175.10 176.55 1hqa h ARG 267 N 1.60 0.83 -5.61 2.72 2.43 -1.89 -3.42 114.38 111.05 1hqa h ARG 267 Ca -0.49 -0.43 -0.49 0.00 -0.81 0.00 0.00 59.98 57.77 1hqa h ARG 267 Cb 1.19 0.01 -0.24 0.00 -0.42 0.00 0.00 29.97 30.50 1hqa h ARG 267 CO 0.61 1.07 -0.81 -1.58 -1.51 0.00 0.00 179.97 177.75 1hqa s TRP 268 N -4.41 1.44 0.11 2.20 0.51 -1.26 -0.99 118.94 116.54 1hqa s TRP 268 Ca -0.12 -0.38 0.04 0.00 -2.12 0.00 0.00 56.10 53.53 1hqa s TRP 268 Cb 0.10 -0.84 -0.04 0.00 -0.81 0.00 0.00 33.47 31.88 1hqa s TRP 268 CO 0.86 0.07 0.05 -0.51 -0.51 0.00 0.00 176.95 176.91 1hqa s LEU 269 N -1.29 3.64 -0.08 2.99 1.43 0.22 -3.90 118.68 121.70 1hqa s LEU 269 Ca 0.03 -0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 52.69 1hqa s LEU 269 Cb -0.09 -2.33 0.12 0.00 0.03 0.00 0.00 46.19 43.93 1hqa s LEU 269 CO 0.02 0.15 1.15 -0.83 0.23 0.00 0.00 176.35 177.07 1hqa s GLY 270 N -2.53 -0.35 0.73 -3.19 0.00 -1.26 -2.14 107.32 98.59 1hqa s GLY 270 Ca 0.28 1.10 -0.11 0.00 0.00 0.00 0.00 44.72 45.99 1hqa s GLY 270 CO 0.21 0.33 1.08 2.56 0.00 0.00 0.00 173.10 177.28 1hqa s PRO 271 N -2.63 2.62 0.45 2.90 0.04 -1.26 -4.88 135.00 132.23 1hqa s PRO 271 Ca 0.10 0.74 -0.22 0.00 0.04 0.00 0.00 61.00 61.66 1hqa s PRO 271 Cb 0.01 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1hqa s PRO 271 CO -0.04 -1.27 1.07 0.21 0.04 0.00 0.00 177.00 177.00 1hqa s LYS 272 N -5.14 3.92 0.84 4.56 2.20 -1.26 -4.52 119.74 120.34 1hqa s LYS 272 Ca 0.59 1.50 -0.11 0.00 -0.36 0.00 0.00 55.97 57.58 1hqa s LYS 272 Cb -0.14 -2.32 0.10 0.00 -1.51 0.00 0.00 37.83 33.96 1hqa s LYS 272 CO 0.54 -0.35 1.15 0.00 -0.36 0.00 0.00 175.35 176.33 1hqa s ALA 273 N -1.77 1.81 0.05 3.13 0.00 0.70 -5.00 121.76 120.69 1hqa s ALA 273 Ca 0.63 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 1hqa s ALA 273 Cb -0.21 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1hqa s ALA 273 CO 0.26 -2.31 0.30 -0.08 0.00 0.00 0.00 175.76 173.92 1hqa s THR 274 N -2.55 0.09 0.07 0.00 -1.32 -0.40 -4.70 115.64 106.82 1hqa s THR 274 Ca 0.67 -0.73 -0.34 0.00 -1.21 0.00 0.00 61.69 60.09 1hqa s THR 274 Cb -0.23 -0.99 -0.13 0.00 -1.51 0.00 0.00 72.50 69.64 1hqa s THR 274 CO 0.54 -0.40 1.72 0.00 -2.21 0.00 0.00 174.62 174.27 1hqa n TYR 275 N 0.46 2.34 -1.83 9.09 9.36 -1.25 -0.87 117.16 134.46 1hqa n TYR 275 Ca -0.18 0.12 -0.15 0.00 3.32 0.00 0.00 57.90 61.01 1hqa n TYR 275 Cb 0.60 -2.61 -0.04 0.00 -0.63 0.00 0.00 39.34 36.66 1hqa n TYR 275 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1hqa n HIS 276 N 4.81 -0.70 0.32 2.98 8.25 -1.26 -4.84 115.22 124.77 1hqa n HIS 276 Ca 0.19 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.84 1hqa n HIS 276 Cb 0.30 -2.90 1.08 0.00 1.12 0.00 0.00 29.99 29.59 1hqa n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1hqa h GLY 277 N 0.00 0.00 1.77 -1.41 0.00 -1.16 1.00 103.07 103.26 1hqa h GLY 277 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1hqa h GLY 277 CO 0.43 0.00 -0.17 1.16 0.00 0.00 0.00 176.54 177.96 1hqa n ASN 278 N -3.42 0.79 -0.13 0.19 6.94 -1.26 -2.54 115.26 115.83 1hqa n ASN 278 Ca -0.03 0.45 -0.23 0.00 -0.02 0.00 0.00 54.58 54.75 1hqa n ASN 278 Cb 0.09 -0.53 -0.11 0.00 -2.36 0.00 0.00 39.78 36.87 1hqa n ASN 278 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1hqa n ILE 279 N -2.22 1.44 0.07 1.53 5.41 0.11 -4.69 119.36 121.01 1hqa n ILE 279 Ca 0.05 -0.46 -0.12 0.00 1.00 0.00 0.00 62.75 63.22 1hqa n ILE 279 Cb 0.43 -1.62 -0.13 0.00 -0.71 0.00 0.00 39.64 37.61 1hqa n ILE 279 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1hqa h ASP 280 N -0.47 0.22 -2.05 4.38 3.32 -1.05 -3.47 116.42 117.29 1hqa h ASP 280 Ca -0.62 -0.26 -0.54 0.00 0.02 0.00 0.00 57.03 55.64 1hqa h ASP 280 Cb 1.73 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 41.14 1hqa h ASP 280 CO -0.25 1.21 -0.56 -0.54 -1.72 0.00 0.00 179.24 177.38 1hqa s LYS 281 N -2.66 2.50 0.77 3.56 1.02 -1.05 -5.06 119.74 118.81 1hqa s LYS 281 Ca -0.03 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.48 1hqa s LYS 281 Cb 0.08 -2.28 0.05 0.00 -0.52 0.00 0.00 37.83 35.16 1hqa s LYS 281 CO 0.85 0.26 1.08 -1.25 -0.92 0.00 0.00 175.35 175.37 1hqa s PRO 282 N -3.80 2.31 0.60 -1.68 0.04 -1.26 -4.73 135.00 126.48 1hqa s PRO 282 Ca 0.35 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.20 1hqa s PRO 282 Cb -0.05 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1hqa s PRO 282 CO 0.23 -1.56 1.18 0.00 0.04 0.00 0.00 177.00 176.89 1hqa s ALA 283 N -2.98 2.54 -0.01 8.56 0.00 -1.26 -4.74 121.76 123.87 1hqa s ALA 283 Ca 0.60 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 1hqa s ALA 283 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1hqa s ALA 283 CO 0.56 -1.14 0.11 0.08 0.00 0.00 0.00 175.76 175.36 1hqa s VAL 284 N -1.76 4.91 -0.16 0.00 1.01 0.55 -4.83 120.40 120.13 1hqa s VAL 284 Ca 0.75 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1hqa s VAL 284 Cb -0.27 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1hqa s VAL 284 CO 0.33 0.34 -0.19 -0.89 0.00 0.00 0.00 175.10 174.69 1hqa s THR 285 N -1.23 2.20 0.71 3.92 2.01 -1.26 -0.99 115.64 120.99 1hqa s THR 285 Ca 0.24 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 1hqa s THR 285 Cb -0.12 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.50 1hqa s THR 285 CO 0.15 0.53 1.12 0.00 -0.69 0.00 0.00 174.62 175.73 1hqa s THR 287 N -2.47 0.45 0.38 0.00 -1.32 -0.91 -4.98 115.64 106.78 1hqa s THR 287 Ca 0.66 -0.55 -0.28 0.00 -1.21 0.00 0.00 61.69 60.31 1hqa s THR 287 Cb -0.20 -0.44 -0.11 0.00 -1.51 0.00 0.00 72.50 70.24 1hqa s THR 287 CO 0.46 -0.08 1.50 -2.65 -2.21 0.00 0.00 174.62 171.64 1hqa n PRO 288 N 2.38 2.69 -2.51 7.08 -0.02 -1.26 0.73 135.00 144.10 1hqa n PRO 288 Ca -0.17 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 1hqa n PRO 288 Cb 0.57 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 1hqa n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1hqa s ASN 289 N -0.10 6.93 0.50 2.55 2.47 -0.16 -4.62 114.94 122.51 1hqa s ASN 289 Ca 0.53 1.46 0.20 0.00 0.42 0.00 0.00 52.86 55.48 1hqa s ASN 289 Cb -0.47 -2.54 1.28 0.00 -1.45 0.00 0.00 41.25 38.06 1hqa s ASN 289 CO 0.63 -0.81 2.07 -0.65 -3.72 0.00 0.00 177.10 174.63 1hqa h PRO 290 N 8.19 0.00 0.00 0.43 0.11 -1.91 -2.66 132.00 136.16 1hqa h PRO 290 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1hqa h PRO 290 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1hqa h PRO 290 CO 0.99 0.12 0.00 1.96 -0.21 0.00 0.00 178.00 180.86 1hqa h GLN 291 N 0.00 0.00 -1.06 1.05 4.20 -1.93 -3.32 115.11 114.05 1hqa h GLN 291 Ca -0.00 0.00 0.28 0.00 0.06 0.00 0.00 58.65 58.99 1hqa h GLN 291 Cb 0.24 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.93 1hqa h GLN 291 CO 0.02 0.00 0.69 0.07 -0.67 0.00 0.00 178.83 178.94 1hqa h ARG 292 N 0.00 0.32 -3.05 1.46 0.11 -1.71 -3.48 114.38 108.03 1hqa h ARG 292 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1hqa h ARG 292 Cb 0.71 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1hqa h ARG 292 CO 0.00 0.21 -0.79 -1.71 0.10 0.00 0.00 179.97 177.78 1hqa n ASN 293 N -4.56 -6.94 0.02 0.08 2.85 -1.25 -4.35 115.26 101.11 1hqa n ASN 293 Ca 0.25 1.48 0.13 0.00 -0.11 0.00 0.00 54.58 56.33 1hqa n ASN 293 Cb 0.93 -3.94 0.45 0.00 1.24 0.00 0.00 39.78 38.46 1hqa n ASN 293 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1hqa n ASP 294 N -2.24 0.32 0.03 1.20 2.03 -1.26 -2.97 116.55 113.66 1hqa n ASP 294 Ca 0.00 0.29 -0.07 0.00 0.52 0.00 0.00 54.79 55.53 1hqa n ASP 294 Cb 0.35 -0.29 -0.12 0.00 -0.72 0.00 0.00 41.12 40.34 1hqa n ASP 294 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1hqa h SER 295 N 0.00 0.00 -3.72 1.67 0.87 -1.98 -3.45 113.55 106.94 1hqa h SER 295 Ca 0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.92 1hqa h SER 295 Cb 0.56 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.34 1hqa h SER 295 CO 0.00 0.94 -0.55 -0.69 -0.53 0.00 0.00 176.83 176.01 1hqa s VAL 296 N -2.69 5.03 0.64 2.23 1.01 -1.16 -0.82 120.40 124.63 1hqa s VAL 296 Ca -0.02 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1hqa s VAL 296 Cb 0.09 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1hqa s VAL 296 CO 0.82 0.31 1.20 -2.16 0.00 0.00 0.00 175.10 175.26 1hqa s PRO 297 N 1.47 2.74 0.66 2.72 0.04 -1.26 -4.84 135.00 136.52 1hqa s PRO 297 Ca 0.07 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 1hqa s PRO 297 Cb -0.15 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1hqa s PRO 297 CO 0.07 -1.37 0.94 0.95 0.04 0.00 0.00 177.00 177.63 1hqa s THR 298 N -1.78 2.38 0.26 1.26 -4.23 -1.26 -4.87 115.64 107.40 1hqa s THR 298 Ca 0.75 -0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 1hqa s THR 298 Cb -0.29 -2.92 0.24 0.00 1.34 0.00 0.00 72.50 70.87 1hqa s THR 298 CO 0.37 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.61 1hqa h LEU 299 N -0.39 1.06 -0.98 4.79 5.85 -1.95 0.25 115.31 123.93 1hqa h LEU 299 Ca -0.42 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 1hqa h LEU 299 Cb 1.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1hqa h LEU 299 CO 0.53 0.81 -0.12 0.00 -0.34 0.00 0.00 178.44 179.31 1hqa h ALA 300 N 1.37 1.15 -0.11 1.25 0.00 -1.88 -1.32 119.26 119.72 1hqa h ALA 300 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1hqa h ALA 300 Cb -0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1hqa h ALA 300 CO -0.06 0.54 -0.10 1.96 0.00 0.00 0.00 179.25 181.59 1hqa h GLN 301 N 0.55 0.26 -0.97 0.00 4.20 -1.53 -1.74 115.11 115.88 1hqa h GLN 301 Ca 0.10 -0.14 0.10 0.00 0.06 0.00 0.00 58.65 58.77 1hqa h GLN 301 Cb 0.53 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 1hqa h GLN 301 CO 0.03 0.67 0.61 0.52 -0.67 0.00 0.00 178.83 179.99 1hqa h MET 302 N -0.13 0.99 -0.60 1.46 2.86 -0.87 -0.80 114.93 117.85 1hqa h MET 302 Ca 0.02 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1hqa h MET 302 Cb 0.61 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1hqa h MET 302 CO 0.03 0.66 0.16 1.15 1.06 0.00 0.00 176.91 179.96 1hqa h THR 303 N 1.02 1.25 -0.12 2.22 2.02 -1.06 0.21 112.91 118.45 1hqa h THR 303 Ca 0.46 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1hqa h THR 303 Cb 0.36 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1hqa h THR 303 CO -0.23 0.33 -0.01 0.44 0.37 0.00 0.00 175.52 176.42 1hqa h ASP 304 N 0.86 0.22 -0.66 4.18 5.19 -0.60 -0.08 116.42 125.53 1hqa h ASP 304 Ca 0.19 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1hqa h ASP 304 Cb 0.33 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 1hqa h ASP 304 CO -0.00 0.51 0.36 0.50 -3.12 0.00 0.00 179.24 177.48 1hqa h LYS 305 N -0.07 0.93 -0.52 3.56 1.63 -1.06 -0.56 116.57 120.48 1hqa h LYS 305 Ca 0.03 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1hqa h LYS 305 Cb 0.40 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1hqa h LYS 305 CO 0.01 0.71 0.28 0.00 -3.45 0.00 0.00 179.45 176.99 1hqa h ALA 306 N 1.17 0.67 -0.60 5.00 0.00 -0.72 -1.89 119.26 122.89 1hqa h ALA 306 Ca 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1hqa h ALA 306 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1hqa h ALA 306 CO -0.04 0.19 0.19 0.82 0.00 0.00 0.00 179.25 180.42 1hqa h ILE 307 N 0.69 1.23 0.28 0.00 2.04 -0.65 -0.66 117.51 120.44 1hqa h ILE 307 Ca 0.18 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1hqa h ILE 307 Cb 0.06 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1hqa h ILE 307 CO -0.03 0.30 -0.15 -0.08 0.00 0.00 0.00 178.15 178.20 1hqa h GLU 308 N 0.88 -0.38 0.12 2.37 4.81 -0.47 -1.00 114.58 120.91 1hqa h GLU 308 Ca 0.20 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1hqa h GLU 308 Cb 0.25 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1hqa h GLU 308 CO -0.01 -0.25 -0.06 -0.07 -0.73 0.00 0.00 179.01 177.89 1hqa h LEU 309 N -0.40 -0.13 -1.99 1.64 3.38 -1.21 -2.93 115.31 113.67 1hqa h LEU 309 Ca -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1hqa h LEU 309 Cb 0.31 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1hqa h LEU 309 CO 0.06 0.10 -0.04 -0.07 0.09 0.00 0.00 178.44 178.58 1hqa h LEU 310 N -0.37 0.00 -1.40 1.67 4.07 -1.15 -2.48 115.31 115.65 1hqa h LEU 310 Ca -0.02 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.06 1hqa h LEU 310 Cb 0.31 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.99 1hqa h LEU 310 CO 0.03 0.04 0.51 0.28 -1.08 0.00 0.00 178.44 178.22 1hqa h SER 311 N 0.00 0.59 0.03 -0.43 0.02 -0.98 -2.86 113.55 109.92 1hqa h SER 311 Ca -0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1hqa h SER 311 Cb 0.07 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1hqa h SER 311 CO 0.01 0.33 -0.00 0.11 -1.14 0.00 0.00 176.83 176.14 1hqa h LYS 312 N 0.64 0.00 -6.20 3.45 1.79 -1.49 -3.42 116.57 111.34 1hqa h LYS 312 Ca 0.37 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.28 1hqa h LYS 312 Cb 0.57 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 1hqa h LYS 312 CO -0.14 0.00 0.95 1.21 -1.08 0.00 0.00 179.45 180.39 1hqa s ASN 313 N -5.35 6.84 0.34 0.86 3.84 -1.08 -4.92 114.94 115.48 1hqa s ASN 313 Ca -0.05 1.68 0.03 0.00 0.21 0.00 0.00 52.86 54.74 1hqa s ASN 313 Cb 0.13 -2.54 0.62 0.00 -0.55 0.00 0.00 41.25 38.92 1hqa s ASN 313 CO 0.44 -0.86 1.93 -0.33 -2.79 0.00 0.00 177.10 175.49 1hqa h GLU 314 N 8.67 0.65 -0.45 0.43 4.39 -1.90 -2.80 114.58 123.57 1hqa h GLU 314 Ca -0.28 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.22 1hqa h GLU 314 Cb 1.11 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1hqa h GLU 314 CO 0.98 0.55 -0.13 0.87 -1.16 0.00 0.00 179.01 180.12 1hqa h LYS 315 N 0.64 0.84 0.00 2.33 1.79 -1.91 -3.49 116.57 116.77 1hqa h LYS 315 Ca 0.16 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1hqa h LYS 315 Cb 0.16 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1hqa h LYS 315 CO -0.01 0.92 0.00 0.41 -1.08 0.00 0.00 179.45 179.69 1hqa n GLY 316 N -0.36 0.84 3.34 3.86 0.00 -1.06 -4.92 105.19 106.90 1hqa n GLY 316 Ca 0.01 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1hqa n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hqa s PHE 317 N -1.11 -0.04 -0.07 1.61 -0.12 -1.22 -1.17 117.98 115.86 1hqa s PHE 317 Ca 0.00 -0.31 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 1hqa s PHE 317 Cb 0.00 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.58 1hqa s PHE 317 CO 0.00 -0.72 -0.18 0.12 -0.05 0.00 0.00 175.22 174.39 1hqa s PHE 318 N -3.85 1.94 -0.03 3.49 5.36 -0.40 -1.14 117.98 123.36 1hqa s PHE 318 Ca 0.06 -0.70 0.01 0.00 -0.96 0.00 0.00 56.93 55.34 1hqa s PHE 318 Cb 0.02 -1.33 0.02 0.00 -0.34 0.00 0.00 43.02 41.39 1hqa s PHE 318 CO -0.08 -0.29 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.21 1hqa s LEU 319 N 0.35 1.25 -0.13 6.12 2.96 0.12 -1.14 118.68 128.20 1hqa s LEU 319 Ca -0.13 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1hqa s LEU 319 Cb -0.15 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 1hqa s LEU 319 CO 0.05 -0.08 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.33 1hqa s GLN 320 N 0.93 3.42 -0.09 1.98 0.74 -0.86 -0.71 119.66 125.07 1hqa s GLN 320 Ca -0.10 -0.61 0.03 0.00 0.05 0.00 0.00 55.36 54.74 1hqa s GLN 320 Cb -0.13 -2.73 0.01 0.00 1.10 0.00 0.00 33.01 31.26 1hqa s GLN 320 CO -0.01 0.27 -0.20 0.08 -0.55 0.00 0.00 175.29 174.88 1hqa s VAL 321 N 0.23 1.75 -0.13 1.34 1.01 0.67 -0.52 120.40 124.75 1hqa s VAL 321 Ca -0.06 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1hqa s VAL 321 Cb -0.15 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1hqa s VAL 321 CO 0.04 0.49 -0.21 -0.70 0.00 0.00 0.00 175.10 174.73 1hqa s GLU 322 N 0.49 2.84 -1.01 2.72 2.12 0.66 -0.68 118.70 125.84 1hqa s GLU 322 Ca -0.17 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 54.19 1hqa s GLU 322 Cb -0.17 -2.30 0.13 0.00 0.26 0.00 0.00 34.13 32.04 1hqa s GLU 322 CO 0.07 -0.01 1.25 0.20 -0.54 0.00 0.00 175.26 176.22 1hqa s GLY 323 N 0.82 1.93 0.20 -1.50 0.00 0.59 -2.68 107.32 106.68 1hqa s GLY 323 Ca -0.08 -2.83 -0.01 0.00 0.00 0.00 0.00 44.72 41.81 1hqa s GLY 323 CO -0.01 2.13 1.50 0.00 0.00 0.00 0.00 173.10 176.72 1hqa h ALA 324 N 8.59 0.71 -0.00 3.20 0.00 -1.91 -2.34 119.26 127.51 1hqa h ALA 324 Ca 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1hqa h ALA 324 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1hqa h ALA 324 CO 1.18 0.71 -0.01 0.43 0.00 0.00 0.00 179.25 181.57 1hqa n SER 325 N -3.91 0.12 -0.03 0.00 7.64 -1.26 -3.55 113.62 112.64 1hqa n SER 325 Ca -0.03 -0.86 -0.10 0.00 1.01 0.00 0.00 58.87 58.89 1hqa n SER 325 Cb 0.63 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1hqa n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hqa h ILE 326 N 0.18 0.97 -0.05 0.44 2.04 -1.76 0.95 117.51 120.27 1hqa h ILE 326 Ca 0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1hqa h ILE 326 Cb 0.10 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1hqa h ILE 326 CO 0.00 0.03 0.02 -0.78 0.00 0.00 0.00 178.15 177.41 1hqa h ASP 327 N 0.15 0.08 -1.00 1.72 3.58 -1.17 -1.70 116.42 118.08 1hqa h ASP 327 Ca 0.07 -0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.35 1hqa h ASP 327 Cb 0.04 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 1hqa h ASP 327 CO -0.07 0.27 0.65 0.11 -2.88 0.00 0.00 179.24 177.32 1hqa h LYS 328 N -0.12 1.22 0.00 0.28 1.57 -1.59 -0.39 116.57 117.55 1hqa h LYS 328 Ca 0.02 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1hqa h LYS 328 Cb 0.22 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1hqa h LYS 328 CO -0.00 0.81 -0.64 1.96 -0.57 0.00 0.00 179.45 181.01 1hqa h GLN 329 N 1.26 0.00 -0.41 3.15 1.08 -0.75 -1.98 115.11 117.45 1hqa h GLN 329 Ca 0.40 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.53 1hqa h GLN 329 Cb 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1hqa h GLN 329 CO -0.13 0.64 0.01 0.22 -0.95 0.00 0.00 178.83 178.63 1hqa h ASP 330 N 0.00 0.70 -0.76 1.46 1.82 -0.50 -1.44 116.42 117.71 1hqa h ASP 330 Ca -0.01 -0.30 -0.04 0.00 -0.39 0.00 0.00 57.03 56.29 1hqa h ASP 330 Cb 1.26 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 41.04 1hqa h ASP 330 CO 0.08 0.83 0.33 0.45 -1.61 0.00 0.00 179.24 179.33 1hqa h HIS 331 N 0.55 1.14 0.00 0.28 3.86 -0.90 -1.66 115.15 118.43 1hqa h HIS 331 Ca 0.12 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1hqa h HIS 331 Cb 0.47 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1hqa h HIS 331 CO 0.04 0.85 0.00 0.00 0.86 0.00 0.00 177.93 179.68 1hqa n ALA 332 N -2.43 2.39 -3.77 2.45 0.00 -0.76 -0.34 120.51 118.04 1hqa n ALA 332 Ca 0.07 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1hqa n ALA 332 Cb 0.17 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.26 1hqa n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqa n ALA 333 N -1.01 -1.64 -3.97 0.00 0.00 -0.62 -4.72 120.51 108.55 1hqa n ALA 333 Ca 0.18 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 1hqa n ALA 333 Cb 0.09 -3.38 -0.14 0.00 0.00 0.00 0.00 19.45 16.01 1hqa n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hqa s ASN 334 N -3.82 4.56 0.23 0.00 3.84 -0.61 -0.21 114.94 118.93 1hqa s ASN 334 Ca 0.34 -2.61 -0.07 0.00 0.21 0.00 0.00 52.86 50.73 1hqa s ASN 334 Cb -0.17 -1.65 0.37 0.00 -0.55 0.00 0.00 41.25 39.25 1hqa s ASN 334 CO 0.81 -0.31 1.71 -0.65 -2.79 0.00 0.00 177.10 175.87 1hqa h PRO 335 N 7.04 0.31 -0.63 0.43 0.11 -1.84 -1.66 132.00 135.77 1hqa h PRO 335 Ca -0.06 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1hqa h PRO 335 Cb 0.95 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1hqa h PRO 335 CO 0.61 0.21 0.04 0.00 -0.21 0.00 0.00 178.00 178.66 1hqa h GLY 337 N 1.02 0.57 0.95 0.00 0.00 -1.56 -0.42 103.07 103.63 1hqa h GLY 337 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1hqa h GLY 337 CO 0.02 0.38 -0.16 -1.61 0.00 0.00 0.00 176.54 175.17 1hqa h GLN 338 N 0.33 -0.42 -0.30 4.80 4.15 -1.11 -2.00 115.11 120.57 1hqa h GLN 338 Ca 0.09 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1hqa h GLN 338 Cb 0.41 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1hqa h GLN 338 CO 0.01 -0.28 0.03 0.82 -1.93 0.00 0.00 178.83 177.49 1hqa h ILE 339 N -0.43 1.24 -0.82 2.39 2.04 -0.97 -2.43 117.51 118.53 1hqa h ILE 339 Ca -0.03 -0.84 0.09 0.00 1.00 0.00 0.00 64.86 65.07 1hqa h ILE 339 Cb 0.35 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1hqa h ILE 339 CO 0.05 0.27 0.54 1.23 0.00 0.00 0.00 178.15 180.24 1hqa h GLY 340 N 0.31 1.13 2.00 5.37 0.00 -1.02 -0.92 103.07 109.94 1hqa h GLY 340 Ca 0.09 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1hqa h GLY 340 CO 0.01 0.20 -0.43 0.83 0.00 0.00 0.00 176.54 177.15 1hqa h GLU 341 N 0.81 0.00 -0.13 4.80 4.39 -1.07 -1.36 114.58 122.01 1hqa h GLU 341 Ca 0.37 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.89 1hqa h GLU 341 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1hqa h GLU 341 CO -0.15 0.43 -0.69 1.15 -1.16 0.00 0.00 179.01 178.59 1hqa h THR 342 N 0.00 1.34 -0.48 1.13 2.02 -0.73 -2.02 112.91 114.17 1hqa h THR 342 Ca -0.00 -2.01 -0.07 0.00 0.77 0.00 0.00 66.41 65.10 1hqa h THR 342 Cb 0.88 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1hqa h THR 342 CO 0.06 0.62 0.03 0.58 0.37 0.00 0.00 175.52 177.17 1hqa h VAL 343 N 0.39 1.26 -0.17 3.16 2.07 -1.01 -1.73 116.25 120.21 1hqa h VAL 343 Ca -0.03 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1hqa h VAL 343 Cb 1.28 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1hqa h VAL 343 CO 0.13 0.36 -0.01 -0.78 0.02 0.00 0.00 177.57 177.29 1hqa h ASP 344 N 0.69 -0.09 -0.77 0.57 3.58 -1.21 -2.04 116.42 117.15 1hqa h ASP 344 Ca 0.14 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.65 1hqa h ASP 344 Cb 0.47 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 1hqa h ASP 344 CO 0.02 -0.02 0.50 0.25 -2.88 0.00 0.00 179.24 177.11 1hqa h LEU 345 N 0.04 0.85 -1.04 2.28 5.85 -1.10 -1.81 115.31 120.39 1hqa h LEU 345 Ca 0.08 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.91 1hqa h LEU 345 Cb 0.11 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 1hqa h LEU 345 CO -0.15 0.61 0.63 -0.78 -0.34 0.00 0.00 178.44 178.41 1hqa h ASP 346 N 1.01 0.89 -0.59 1.25 3.58 -0.63 0.20 116.42 122.13 1hqa h ASP 346 Ca 0.29 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.73 1hqa h ASP 346 Cb -0.08 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 1hqa h ASP 346 CO -0.08 0.46 0.15 -0.33 -2.88 0.00 0.00 179.24 176.56 1hqa h GLU 347 N 0.95 0.95 -0.63 0.28 5.08 -0.80 -0.59 114.58 119.82 1hqa h GLU 347 Ca 0.50 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1hqa h GLU 347 Cb 0.54 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1hqa h GLU 347 CO -0.27 0.87 0.07 0.00 -1.00 0.00 0.00 179.01 178.68 1hqa h ALA 348 N 1.04 0.84 -0.90 3.43 0.00 -0.89 -2.24 119.26 120.53 1hqa h ALA 348 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1hqa h ALA 348 Cb 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1hqa h ALA 348 CO 0.00 0.62 0.58 0.28 0.00 0.00 0.00 179.25 180.74 1hqa h VAL 349 N 0.97 1.24 -0.72 0.00 2.07 -0.38 -1.71 116.25 117.72 1hqa h VAL 349 Ca 0.19 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1hqa h VAL 349 Cb 0.47 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1hqa h VAL 349 CO 0.02 0.24 0.41 1.56 0.02 0.00 0.00 177.57 179.82 1hqa h GLN 350 N 1.23 0.99 -0.38 1.57 4.20 -0.64 -0.63 115.11 121.45 1hqa h GLN 350 Ca 0.33 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 1hqa h GLN 350 Cb -0.11 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.45 1hqa h GLN 350 CO -0.07 0.72 -0.03 0.00 -0.67 0.00 0.00 178.83 178.78 1hqa h ARG 351 N 0.98 0.62 -0.46 1.46 2.47 -0.82 -1.84 114.38 116.80 1hqa h ARG 351 Ca 0.26 -0.16 -0.11 0.00 -1.26 0.00 0.00 59.98 58.71 1hqa h ARG 351 Cb 0.00 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1hqa h ARG 351 CO -0.04 0.67 -0.16 0.00 0.56 0.00 0.00 179.97 180.99 1hqa h ALA 352 N 1.38 0.85 -0.09 0.04 0.00 -0.71 -2.62 119.26 118.10 1hqa h ALA 352 Ca 0.12 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1hqa h ALA 352 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1hqa h ALA 352 CO 0.02 0.64 -0.63 1.25 0.00 0.00 0.00 179.25 180.53 1hqa h LEU 353 N 0.78 0.39 -0.10 0.00 5.85 -0.80 -1.46 115.31 119.97 1hqa h LEU 353 Ca 0.12 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1hqa h LEU 353 Cb 0.69 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1hqa h LEU 353 CO 0.05 0.92 0.05 -0.33 -0.34 0.00 0.00 178.44 178.79 1hqa h GLU 354 N 0.25 0.14 -0.26 1.25 4.39 -1.07 0.17 114.58 119.45 1hqa h GLU 354 Ca -0.01 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1hqa h GLU 354 Cb 1.16 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1hqa h GLU 354 CO 0.10 0.22 0.15 0.35 -1.16 0.00 0.00 179.01 178.68 1hqa h PHE 355 N 0.03 0.35 -0.51 4.33 3.57 -1.41 -2.50 116.94 120.81 1hqa h PHE 355 Ca 0.03 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1hqa h PHE 355 Cb 0.13 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1hqa h PHE 355 CO -0.03 0.28 0.04 0.00 -2.23 0.00 0.00 178.31 176.38 1hqa h ALA 356 N 1.04 1.12 -0.24 2.41 0.00 -0.97 -0.89 119.26 121.72 1hqa h ALA 356 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1hqa h ALA 356 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hqa h ALA 356 CO -0.02 0.57 0.15 -0.22 0.00 0.00 0.00 179.25 179.74 1hqa h LYS 357 N 0.78 0.31 -0.06 0.00 3.64 -0.55 -1.53 116.57 119.16 1hqa h LYS 357 Ca 0.16 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1hqa h LYS 357 Cb 0.41 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1hqa h LYS 357 CO 0.01 0.20 -0.11 0.87 -2.27 0.00 0.00 179.45 178.15 1hqa h LYS 358 N 0.32 0.18 -0.63 1.90 1.57 -1.01 -3.33 116.57 115.56 1hqa h LYS 358 Ca 0.09 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1hqa h LYS 358 Cb -0.03 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1hqa h LYS 358 CO -0.03 0.70 0.32 1.49 -0.57 0.00 0.00 179.45 181.36 1hqa h GLU 359 N -0.32 0.90 0.00 3.15 4.22 -1.18 -3.48 114.58 117.87 1hqa h GLU 359 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1hqa h GLU 359 Cb 0.69 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1hqa h GLU 359 CO 0.02 0.71 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 1hqa n GLY 360 N -0.98 2.03 0.91 1.92 0.00 -0.58 -4.83 105.19 103.65 1hqa n GLY 360 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1hqa n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqa n ASN 361 N 0.00 1.34 -4.38 1.61 3.02 -1.26 -4.84 115.26 110.75 1hqa n ASN 361 Ca 0.00 -2.92 -0.33 0.00 -0.03 0.00 0.00 54.58 51.30 1hqa n ASN 361 Cb 0.00 -0.40 -0.14 0.00 -0.61 0.00 0.00 39.78 38.63 1hqa n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1hqa s THR 362 N -1.65 3.03 -0.25 3.41 2.01 -1.26 -0.13 115.64 120.79 1hqa s THR 362 Ca 0.33 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 1hqa s THR 362 Cb 0.34 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1hqa s THR 362 CO -0.10 0.53 0.37 -0.22 -0.69 0.00 0.00 174.62 174.52 1hqa s LEU 363 N 0.21 4.07 -0.09 4.42 2.96 -0.79 -4.29 118.68 125.16 1hqa s LEU 363 Ca -0.08 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1hqa s LEU 363 Cb -0.15 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 1hqa s LEU 363 CO 0.05 -0.16 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.13 1hqa s VAL 364 N 1.88 3.34 -0.02 1.68 1.01 0.41 -1.52 120.40 127.18 1hqa s VAL 364 Ca 0.16 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1hqa s VAL 364 Cb -0.15 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1hqa s VAL 364 CO 0.09 0.57 -0.10 -0.63 0.00 0.00 0.00 175.10 175.03 1hqa s ILE 365 N -0.38 0.82 -0.08 2.22 1.01 -0.68 -0.37 121.20 123.74 1hqa s ILE 365 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1hqa s ILE 365 Cb -0.12 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.65 1hqa s ILE 365 CO 0.02 0.25 -0.10 -0.69 0.00 0.00 0.00 174.94 174.42 1hqa s VAL 366 N 0.03 1.05 0.00 2.92 1.01 -0.39 0.15 120.40 125.17 1hqa s VAL 366 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1hqa s VAL 366 Cb -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1hqa s VAL 366 CO 0.00 0.35 0.00 1.07 0.00 0.00 0.00 175.10 176.52 1hqa n THR 367 N 4.27 0.00 -4.33 3.92 5.66 -0.41 -2.06 114.28 121.33 1hqa n THR 367 Ca -0.19 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.64 1hqa n THR 367 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 1hqa n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hqa s ALA 368 N -1.00 1.86 0.08 1.79 0.00 -1.26 -0.38 121.76 122.85 1hqa s ALA 368 Ca 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.28 1hqa s ALA 368 Cb 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 23.12 22.96 1hqa s ALA 368 CO 0.00 -0.06 1.15 0.38 0.00 0.00 0.00 175.76 177.23 1hqa h ASP 369 N 2.57 0.32 -5.10 0.00 2.03 -1.92 -3.48 116.42 110.82 1hqa h ASP 369 Ca -0.38 -0.35 0.10 0.00 -0.73 0.00 0.00 57.03 55.68 1hqa h ASP 369 Cb 1.21 -0.10 -0.06 0.00 -0.83 0.00 0.00 39.33 39.55 1hqa h ASP 369 CO 0.64 1.27 0.31 -1.38 -1.03 0.00 0.00 179.24 179.05 1hqa s HIS 370 N -2.67 -0.18 0.82 4.15 -3.43 -1.26 -4.86 115.29 107.86 1hqa s HIS 370 Ca -0.03 -0.22 -0.09 0.00 -0.80 0.00 0.00 55.06 53.92 1hqa s HIS 370 Cb 0.08 0.68 0.14 0.00 -1.43 0.00 0.00 32.58 32.05 1hqa s HIS 370 CO 0.87 -1.09 1.14 0.00 -2.00 0.00 0.00 174.74 173.66 1hqa s ALA 371 N -3.70 2.93 0.00 -1.38 0.00 -1.11 -3.63 121.76 114.87 1hqa s ALA 371 Ca 0.11 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1hqa s ALA 371 Cb -0.04 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1hqa s ALA 371 CO 0.05 -1.83 0.00 1.58 0.00 0.00 0.00 175.76 175.56 1hqa n HIS 372 N -3.26 0.00 0.11 0.00 -0.00 -1.25 -1.59 115.22 109.23 1hqa n HIS 372 Ca 0.13 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.13 1hqa n HIS 372 Cb 0.60 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.35 1hqa n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hqa h ALA 373 N 1.00 0.08 -2.73 1.57 0.00 -1.88 -3.38 119.26 113.93 1hqa h ALA 373 Ca 0.00 -0.84 -0.53 0.00 0.00 0.00 0.00 54.91 53.55 1hqa h ALA 373 Cb 0.00 0.05 0.07 0.00 0.00 0.00 0.00 17.79 17.91 1hqa h ALA 373 CO 0.00 0.86 0.90 -1.54 0.00 0.00 0.00 179.25 179.48 1hqa s SER 374 N -7.25 6.44 0.03 0.00 1.04 -1.26 -4.66 113.70 108.03 1hqa s SER 374 Ca -0.06 2.85 0.06 0.00 0.48 0.00 0.00 55.95 59.28 1hqa s SER 374 Cb 0.07 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1hqa s SER 374 CO 0.90 -0.89 -0.17 -1.10 0.98 0.00 0.00 173.24 172.96 1hqa s GLN 375 N 0.20 1.15 -0.25 4.02 -0.21 -0.56 -4.71 119.66 119.30 1hqa s GLN 375 Ca 0.67 -0.80 -0.16 0.00 0.02 0.00 0.00 55.36 55.08 1hqa s GLN 375 Cb -0.47 -1.19 -0.03 0.00 1.00 0.00 0.00 33.01 32.31 1hqa s GLN 375 CO 0.41 0.30 0.43 0.42 -2.12 0.00 0.00 175.29 174.73 1hqa s ILE 376 N -0.77 5.14 0.28 1.08 1.01 -1.26 -0.48 121.20 126.20 1hqa s ILE 376 Ca 0.04 0.72 0.05 0.00 0.00 0.00 0.00 60.65 61.46 1hqa s ILE 376 Cb -0.08 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 1hqa s ILE 376 CO 0.01 0.16 -0.02 0.68 0.00 0.00 0.00 174.94 175.77 1hqa s VAL 377 N 1.94 1.41 0.44 2.92 -7.23 -0.84 -4.99 120.40 114.06 1hqa s VAL 377 Ca 0.18 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 1hqa s VAL 377 Cb -0.15 -2.49 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 1hqa s VAL 377 CO 0.09 -0.25 1.02 0.00 -0.31 0.00 0.00 175.10 175.65 1hqa n ALA 378 N -0.56 0.28 -0.10 1.32 0.00 -1.26 -3.95 120.51 116.24 1hqa n ALA 378 Ca -0.05 0.20 0.16 0.00 0.00 0.00 0.00 53.44 53.76 1hqa n ALA 378 Cb 0.64 -2.10 0.56 0.00 0.00 0.00 0.00 19.45 18.55 1hqa n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hqa h PRO 379 N 1.45 0.27 -0.73 0.00 0.11 -1.93 -1.77 132.00 129.41 1hqa h PRO 379 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1hqa h PRO 379 Cb 1.34 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1hqa h PRO 379 CO 0.56 0.18 0.09 -0.40 -0.21 0.00 0.00 178.00 178.22 1hqa n ASP 380 N -4.44 4.54 -4.73 -2.05 5.75 -1.26 -4.83 116.55 109.52 1hqa n ASP 380 Ca 0.12 -2.82 -0.41 0.00 -0.01 0.00 0.00 54.79 51.66 1hqa n ASP 380 Cb 0.53 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 1hqa n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1hqa s THR 381 N -2.42 3.09 -0.46 2.12 2.01 -0.67 -4.97 115.64 114.35 1hqa s THR 381 Ca 0.43 0.88 -0.06 0.00 0.31 0.00 0.00 61.69 63.25 1hqa s THR 381 Cb 0.34 -3.56 0.12 0.00 0.01 0.00 0.00 72.50 69.40 1hqa s THR 381 CO 0.12 0.12 0.29 -0.75 -0.69 0.00 0.00 174.62 173.71 1hqa s LYS 382 N 0.07 2.27 0.15 4.92 2.20 -1.26 -4.84 119.74 123.26 1hqa s LYS 382 Ca 0.59 -1.88 0.06 0.00 -0.36 0.00 0.00 55.97 54.39 1hqa s LYS 382 Cb -0.38 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 1hqa s LYS 382 CO 0.38 -1.14 0.02 0.00 -0.36 0.00 0.00 175.35 174.26 1hqa s ALA 383 N 1.10 3.29 -0.23 3.13 0.00 -1.26 -5.03 121.76 122.76 1hqa s ALA 383 Ca 0.08 -1.28 0.28 0.00 0.00 0.00 0.00 51.96 51.04 1hqa s ALA 383 Cb -0.24 -1.11 0.90 0.00 0.00 0.00 0.00 23.12 22.68 1hqa s ALA 383 CO -0.03 0.54 1.80 -1.00 0.00 0.00 0.00 175.76 177.07 1hqa h PRO 384 N 2.83 0.00 0.00 0.00 0.13 -1.97 -3.41 132.00 129.58 1hqa h PRO 384 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1hqa h PRO 384 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1hqa h PRO 384 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 1hqa n GLY 385 N 0.54 1.87 3.77 1.56 0.00 -1.26 -4.99 105.19 106.67 1hqa n GLY 385 Ca 0.02 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1hqa n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqa s LEU 386 N 0.00 4.27 0.19 0.99 1.43 -0.80 -3.97 118.68 120.78 1hqa s LEU 386 Ca 0.00 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1hqa s LEU 386 Cb 0.00 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1hqa s LEU 386 CO 0.00 0.24 0.03 0.42 0.23 0.00 0.00 176.35 177.27 1hqa s THR 387 N -0.06 0.58 -0.22 5.49 -4.23 -0.05 -0.45 115.64 116.71 1hqa s THR 387 Ca 0.11 -1.98 -0.27 0.00 -1.18 0.00 0.00 61.69 58.37 1hqa s THR 387 Cb -0.11 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1hqa s THR 387 CO 0.00 -0.37 0.76 -1.58 -0.54 0.00 0.00 174.62 172.90 1hqa s GLN 388 N -3.96 0.83 -0.15 3.99 0.74 -0.87 -1.28 119.66 118.97 1hqa s GLN 388 Ca 0.27 0.74 -0.06 0.00 0.05 0.00 0.00 55.36 56.36 1hqa s GLN 388 Cb 0.07 0.40 -0.04 0.00 1.10 0.00 0.00 33.01 34.54 1hqa s GLN 388 CO 0.06 -0.15 0.07 0.00 -0.55 0.00 0.00 175.29 174.72 1hqa s ALA 389 N -0.06 3.52 0.06 1.58 0.00 -1.26 -1.08 121.76 124.51 1hqa s ALA 389 Ca -0.02 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.30 1hqa s ALA 389 Cb -0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1hqa s ALA 389 CO 0.02 0.39 -0.24 -0.51 0.00 0.00 0.00 175.76 175.42 1hqa s LEU 390 N -0.28 2.19 -0.39 0.00 1.43 0.49 -0.33 118.68 121.80 1hqa s LEU 390 Ca 0.09 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 1hqa s LEU 390 Cb -0.12 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 44.98 1hqa s LEU 390 CO 0.01 0.20 0.67 0.20 0.23 0.00 0.00 176.35 177.66 1hqa s ASN 391 N -1.34 6.41 0.72 2.29 0.02 -0.17 -1.14 114.94 121.73 1hqa s ASN 391 Ca 0.10 0.01 -0.05 0.00 -1.02 0.00 0.00 52.86 51.89 1hqa s ASN 391 Cb -0.10 -2.34 0.09 0.00 0.02 0.00 0.00 41.25 38.93 1hqa s ASN 391 CO 0.02 -0.69 1.01 0.42 0.02 0.00 0.00 177.10 177.89 1hqa s THR 392 N 2.84 2.27 0.43 1.60 -4.23 -0.57 -4.83 115.64 113.14 1hqa s THR 392 Ca 0.25 -0.37 0.40 0.00 -1.18 0.00 0.00 61.69 60.79 1hqa s THR 392 Cb -0.14 -2.90 0.41 0.00 1.34 0.00 0.00 72.50 71.22 1hqa s THR 392 CO 0.17 0.00 2.21 0.50 -0.54 0.00 0.00 174.62 176.96 1hqa h LYS 393 N -0.62 0.00 -0.00 3.99 1.63 -1.26 0.86 116.57 121.17 1hqa h LYS 393 Ca -0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1hqa h LYS 393 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1hqa h LYS 393 CO 0.51 0.00 -0.07 -0.25 -3.45 0.00 0.00 179.45 176.19 1hqa n ASP 394 N -3.00 0.18 -0.03 4.20 8.00 -1.26 -4.88 116.55 119.75 1hqa n ASP 394 Ca -0.02 -0.17 -0.00 0.00 0.71 0.00 0.00 54.79 55.31 1hqa n ASP 394 Cb 0.13 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1hqa n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hqa n GLY 395 N 1.34 0.40 3.59 0.44 0.00 0.29 -5.03 105.19 106.23 1hqa n GLY 395 Ca 0.12 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1hqa n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa s ALA 396 N -2.02 3.06 -0.13 4.61 0.00 -1.26 -4.92 121.76 121.10 1hqa s ALA 396 Ca 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 51.96 49.81 1hqa s ALA 396 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1hqa s ALA 396 CO 0.00 -0.16 0.15 0.54 0.00 0.00 0.00 175.76 176.29 1hqa s VAL 397 N -2.87 5.48 -0.05 0.00 0.11 -1.26 -1.52 120.40 120.30 1hqa s VAL 397 Ca 0.33 0.23 0.07 0.00 -2.93 0.00 0.00 61.98 59.67 1hqa s VAL 397 Cb 0.09 -3.42 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 1hqa s VAL 397 CO 0.16 0.59 -0.25 -0.32 -3.33 0.00 0.00 175.10 171.95 1hqa s MET 398 N -0.85 2.42 -0.13 1.54 0.00 -0.29 -4.91 119.30 117.07 1hqa s MET 398 Ca 0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 55.69 54.90 1hqa s MET 398 Cb -0.12 -2.12 -0.03 0.00 0.00 0.00 0.00 34.83 32.57 1hqa s MET 398 CO 0.04 0.42 -0.05 0.08 0.00 0.00 0.00 175.02 175.51 1hqa s VAL 399 N -0.28 3.83 -0.07 10.11 1.01 -1.25 -0.38 120.40 133.37 1hqa s VAL 399 Ca -0.00 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1hqa s VAL 399 Cb -0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1hqa s VAL 399 CO 0.02 0.52 -0.07 -0.04 0.00 0.00 0.00 175.10 175.54 1hqa s MET 400 N 0.04 2.74 -0.01 2.72 -1.94 -0.24 -1.98 119.30 120.62 1hqa s MET 400 Ca -0.00 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1hqa s MET 400 Cb -0.13 -2.58 -0.02 0.00 2.01 0.00 0.00 34.83 34.11 1hqa s MET 400 CO 0.03 0.66 -0.21 0.45 -0.01 0.00 0.00 175.02 175.94 1hqa s SER 401 N -0.82 2.45 -0.32 3.03 0.15 0.37 -2.05 113.70 116.51 1hqa s SER 401 Ca 0.12 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.39 1hqa s SER 401 Cb -0.11 -0.27 0.10 0.00 -1.71 0.00 0.00 66.02 64.03 1hqa s SER 401 CO 0.01 0.25 0.08 -0.31 1.20 0.00 0.00 173.24 174.47 1hqa s TYR 402 N -0.51 2.42 -0.23 3.44 1.51 0.41 -1.49 117.35 122.89 1hqa s TYR 402 Ca 0.08 -2.17 0.12 0.00 -1.01 0.00 0.00 57.07 54.08 1hqa s TYR 402 Cb -0.08 -2.13 0.44 0.00 -0.11 0.00 0.00 41.96 40.08 1hqa s TYR 402 CO -0.01 -0.90 1.19 0.41 -1.11 0.00 0.00 175.55 175.14 1hqa n GLY 403 N 4.64 5.06 0.05 0.71 0.00 -1.26 -1.91 105.19 112.48 1hqa n GLY 403 Ca 0.00 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.25 1hqa n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hqa n ASN 404 N -0.77 1.99 -3.68 1.61 0.23 -1.26 -4.82 115.26 108.55 1hqa n ASN 404 Ca 0.27 -2.44 -0.10 0.00 -0.53 0.00 0.00 54.58 51.79 1hqa n ASN 404 Cb 0.85 -0.20 -0.10 0.00 -2.08 0.00 0.00 39.78 38.26 1hqa n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1hqa s SER 405 N -1.78 -0.64 0.00 0.53 0.15 -1.26 -4.55 113.70 106.14 1hqa s SER 405 Ca 0.14 1.08 0.27 0.00 0.70 0.00 0.00 55.95 58.15 1hqa s SER 405 Cb 0.12 0.97 0.96 0.00 -1.71 0.00 0.00 66.02 66.36 1hqa s SER 405 CO 0.01 -0.21 1.70 -0.62 1.20 0.00 0.00 173.24 175.32 1hqa n GLU 406 N 4.19 0.62 -1.89 5.44 1.02 -1.26 -4.86 120.64 123.90 1hqa n GLU 406 Ca -0.22 -0.29 -0.21 0.00 -0.02 0.00 0.00 57.16 56.42 1hqa n GLU 406 Cb 0.56 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.62 1hqa n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1hqa n GLU 407 N -0.93 -0.49 0.02 3.49 4.71 -1.26 -4.97 120.64 121.21 1hqa n GLU 407 Ca 0.12 -1.96 0.11 0.00 -0.01 0.00 0.00 57.16 55.42 1hqa n GLU 407 Cb 0.31 -0.81 0.46 0.00 -1.01 0.00 0.00 31.44 30.40 1hqa n GLU 407 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1hqa n ASP 408 N -3.29 0.14 -4.12 1.62 5.75 -1.26 -4.66 116.55 110.73 1hqa n ASP 408 Ca 0.13 0.52 -0.29 0.00 -0.01 0.00 0.00 54.79 55.14 1hqa n ASP 408 Cb 0.47 -0.56 -0.17 0.00 -1.03 0.00 0.00 41.12 39.84 1hqa n ASP 408 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1hqa s SER 409 N -3.26 2.62 0.29 -1.12 0.15 -1.26 -4.73 113.70 106.38 1hqa s SER 409 Ca 0.10 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 55.99 1hqa s SER 409 Cb 0.14 -1.19 -0.09 0.00 -1.71 0.00 0.00 66.02 63.16 1hqa s SER 409 CO 0.42 0.07 1.09 -1.10 1.20 0.00 0.00 173.24 174.92 1hqa s GLN 410 N 0.69 4.58 0.31 5.44 -1.52 0.54 -4.77 119.66 124.94 1hqa s GLN 410 Ca -0.12 1.77 -0.27 0.00 -1.95 0.00 0.00 55.36 54.79 1hqa s GLN 410 Cb -0.16 -3.11 -0.09 0.00 -0.22 0.00 0.00 33.01 29.42 1hqa s GLN 410 CO 0.03 0.17 1.01 -1.21 -0.25 0.00 0.00 175.29 175.04 1hqa s GLU 411 N -1.57 4.55 0.87 2.91 0.41 -1.26 -4.45 118.70 120.16 1hqa s GLU 411 Ca 0.46 1.54 -0.12 0.00 -0.41 0.00 0.00 54.97 56.44 1hqa s GLU 411 Cb -0.31 -2.94 0.11 0.00 -1.78 0.00 0.00 34.13 29.21 1hqa s GLU 411 CO 0.39 0.21 1.13 1.14 -0.49 0.00 0.00 175.26 177.64 1hqa s GLN 412 N -1.82 1.51 0.32 1.61 0.00 -1.26 -3.32 119.66 116.70 1hqa s GLN 412 Ca 0.49 0.37 0.04 0.00 -0.00 0.00 0.00 55.36 56.26 1hqa s GLN 412 Cb -0.25 -1.87 -0.06 0.00 0.00 0.00 0.00 33.01 30.83 1hqa s GLN 412 CO 0.31 -1.96 0.05 0.95 0.00 0.00 0.00 175.29 174.64 1hqa s THR 413 N -3.27 1.21 -1.27 3.63 -4.23 -0.62 -4.84 115.64 106.24 1hqa s THR 413 Ca 0.63 -2.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.32 1hqa s THR 413 Cb -0.14 -2.77 0.63 0.00 1.34 0.00 0.00 72.50 71.56 1hqa s THR 413 CO 0.53 -0.02 1.54 0.61 -0.54 0.00 0.00 174.62 176.74 1hqa n GLY 414 N -0.68 2.77 3.77 3.99 0.00 -1.26 -2.75 105.19 111.04 1hqa n GLY 414 Ca -0.02 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 1hqa n GLY 414 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hqa s SER 415 N -1.01 6.03 0.76 1.61 0.15 -1.26 -4.86 113.70 115.12 1hqa s SER 415 Ca 0.46 2.29 -0.14 0.00 0.70 0.00 0.00 55.95 59.27 1hqa s SER 415 Cb 0.28 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1hqa s SER 415 CO 0.25 -1.01 1.19 0.00 1.20 0.00 0.00 173.24 174.87 1hqa s GLN 416 N -2.83 2.01 0.19 5.44 -2.07 -1.26 -4.30 119.66 116.83 1hqa s GLN 416 Ca 0.66 1.68 -0.09 0.00 -1.82 0.00 0.00 55.36 55.79 1hqa s GLN 416 Cb -0.28 -1.83 -0.01 0.00 -1.09 0.00 0.00 33.01 29.80 1hqa s GLN 416 CO 0.33 -1.92 0.32 -0.48 -1.32 0.00 0.00 175.29 172.22 1hqa s LEU 417 N -5.39 0.82 0.33 2.60 0.05 -1.08 -4.89 118.68 111.12 1hqa s LEU 417 Ca 0.72 -0.94 -0.28 0.00 0.05 0.00 0.00 54.13 53.68 1hqa s LEU 417 Cb -0.27 1.24 -0.13 0.00 -2.05 0.00 0.00 46.19 44.99 1hqa s LEU 417 CO 0.47 -0.95 1.20 -1.14 -0.55 0.00 0.00 176.35 175.39 1hqa n ARG 418 N -0.26 1.88 -3.89 1.48 0.63 -1.26 -1.10 116.66 114.14 1hqa n ARG 418 Ca -0.05 0.66 -0.17 0.00 -0.92 0.00 0.00 57.85 57.37 1hqa n ARG 418 Cb 0.63 -2.19 -0.16 0.00 0.45 0.00 0.00 32.46 31.19 1hqa n ARG 418 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1hqa s ILE 419 N -1.09 0.13 0.11 5.15 2.07 -0.55 -4.30 121.20 122.72 1hqa s ILE 419 Ca 0.57 0.12 0.06 0.00 -1.41 0.00 0.00 60.65 59.99 1hqa s ILE 419 Cb -0.60 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 41.71 1hqa s ILE 419 CO 0.61 0.14 -0.15 0.00 -1.91 0.00 0.00 174.94 173.63 1hqa s ALA 420 N 1.11 1.50 0.20 1.50 0.00 -0.87 -0.60 121.76 124.59 1hqa s ALA 420 Ca -0.09 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.51 1hqa s ALA 420 Cb -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1hqa s ALA 420 CO -0.02 0.15 0.40 0.00 0.00 0.00 0.00 175.76 176.29 1hqa s ALA 421 N -1.84 -0.26 -0.16 0.00 0.00 0.31 -1.26 121.76 118.55 1hqa s ALA 421 Ca 0.07 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1hqa s ALA 421 Cb -0.07 0.94 0.05 0.00 0.00 0.00 0.00 23.12 24.04 1hqa s ALA 421 CO 0.03 -0.75 0.41 -0.47 0.00 0.00 0.00 175.76 174.99 1hqa s TYR 422 N -3.97 -0.53 0.00 0.00 5.04 0.50 -2.97 117.35 115.43 1hqa s TYR 422 Ca 0.18 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 1hqa s TYR 422 Cb 0.01 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1hqa s TYR 422 CO 0.03 -0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.37 1hqa n GLY 423 N 3.54 -0.34 3.73 8.97 0.00 -1.26 -0.44 105.19 119.39 1hqa n GLY 423 Ca -0.18 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.17 1hqa n GLY 423 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hqa n PRO 424 N -0.11 2.58 -0.96 1.61 -0.02 -1.26 -2.50 135.00 134.33 1hqa n PRO 424 Ca 0.00 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1hqa n PRO 424 Cb 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 1hqa n PRO 424 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1hqa n HIS 425 N 2.03 0.00 0.28 6.00 8.25 0.10 -4.66 115.22 127.22 1hqa n HIS 425 Ca 0.09 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.72 1hqa n HIS 425 Cb 0.36 -0.64 0.82 0.00 1.12 0.00 0.00 29.99 31.65 1hqa n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hqa h ALA 426 N 0.00 1.09 -0.04 -1.41 0.00 -1.74 -2.49 119.26 114.67 1hqa h ALA 426 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hqa h ALA 426 Cb 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1hqa h ALA 426 CO 0.00 0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.45 1hqa h ALA 427 N 1.94 1.31 0.00 0.00 0.00 -1.90 -2.59 119.26 118.03 1hqa h ALA 427 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hqa h ALA 427 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hqa h ALA 427 CO 0.01 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.19 1hqa n ASN 428 N -3.26 0.00 -0.49 0.00 3.02 -0.94 -2.02 115.26 111.57 1hqa n ASN 428 Ca -0.02 -1.07 0.07 0.00 -0.03 0.00 0.00 54.58 53.54 1hqa n ASN 428 Cb 0.21 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1hqa n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1hqa n VAL 429 N -0.89 0.00 -2.87 2.41 0.24 -0.98 -4.98 118.33 111.26 1hqa n VAL 429 Ca 0.16 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.34 61.68 1hqa n VAL 429 Cb 0.07 1.26 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 1hqa n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1hqa s VAL 430 N -1.49 4.37 0.00 3.34 1.01 -0.86 -3.19 120.40 123.58 1hqa s VAL 430 Ca 0.15 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.68 1hqa s VAL 430 Cb 0.12 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1hqa s VAL 430 CO 0.27 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1hqa n GLY 431 N 0.08 -1.82 3.67 4.51 0.00 -1.26 -4.78 105.19 105.59 1hqa n GLY 431 Ca 0.03 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1hqa n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hqa s LEU 432 N 0.00 4.19 0.00 0.99 2.96 -1.26 -1.95 118.68 123.61 1hqa s LEU 432 Ca 0.00 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 55.04 1hqa s LEU 432 Cb 0.00 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 1hqa s LEU 432 CO 0.00 -0.33 0.15 0.35 -1.32 0.00 0.00 176.35 175.21 1hqa n THR 433 N 4.59 0.00 -4.40 3.68 -2.24 -0.85 -5.00 114.28 110.05 1hqa n THR 433 Ca 0.02 -2.02 -0.27 0.00 -2.27 0.00 0.00 64.05 59.52 1hqa n THR 433 Cb 0.49 0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 1hqa n THR 433 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1hqa s ASP 434 N -3.08 3.61 0.50 3.42 2.15 -1.26 -1.72 116.67 120.29 1hqa s ASP 434 Ca 0.22 -0.83 0.18 0.00 0.43 0.00 0.00 52.55 52.55 1hqa s ASP 434 Cb 0.01 -0.35 1.24 0.00 -0.30 0.00 0.00 42.92 43.52 1hqa s ASP 434 CO 0.15 0.11 2.07 -0.61 -0.17 0.00 0.00 175.17 176.72 1hqa h GLN 435 N 3.05 0.10 0.00 4.34 4.15 -1.44 -1.12 115.11 124.20 1hqa h GLN 435 Ca -0.46 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 58.86 1hqa h GLN 435 Cb 1.21 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1hqa h GLN 435 CO 0.50 0.07 -0.43 1.79 -1.93 0.00 0.00 178.83 178.83 1hqa h THR 436 N 0.10 1.05 -0.40 2.39 1.35 -1.85 -1.97 112.91 113.59 1hqa h THR 436 Ca 0.13 -1.64 0.02 0.00 -0.55 0.00 0.00 66.41 64.37 1hqa h THR 436 Cb 0.40 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 1hqa h THR 436 CO -0.01 0.42 0.26 0.44 -0.25 0.00 0.00 175.52 176.38 1hqa h ASP 437 N 0.00 0.41 -0.55 5.36 3.32 -1.54 -1.95 116.42 121.47 1hqa h ASP 437 Ca -0.00 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1hqa h ASP 437 Cb 0.92 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1hqa h ASP 437 CO 0.06 0.29 0.36 0.25 -1.72 0.00 0.00 179.24 178.48 1hqa h LEU 438 N 0.49 0.63 0.02 1.55 5.85 -1.37 0.14 115.31 122.61 1hqa h LEU 438 Ca 0.15 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1hqa h LEU 438 Cb 0.02 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1hqa h LEU 438 CO -0.04 0.45 -0.01 0.15 -0.34 0.00 0.00 178.44 178.66 1hqa h PHE 439 N 0.74 -0.03 -0.43 1.25 3.57 -1.44 -1.48 116.94 119.13 1hqa h PHE 439 Ca 0.20 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1hqa h PHE 439 Cb -0.08 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1hqa h PHE 439 CO -0.00 0.09 0.11 1.88 -2.23 0.00 0.00 178.31 178.17 1hqa h TYR 440 N -0.14 0.65 -0.22 0.41 0.05 -1.25 -1.70 116.97 114.76 1hqa h TYR 440 Ca -0.00 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1hqa h TYR 440 Cb 0.13 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1hqa h TYR 440 CO -0.04 0.55 0.01 1.15 -1.05 0.00 0.00 178.16 178.78 1hqa h THR 441 N 0.63 1.25 -0.34 -2.88 2.02 -0.59 -1.51 112.91 111.49 1hqa h THR 441 Ca 0.14 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 1hqa h THR 441 Cb 0.23 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1hqa h THR 441 CO -0.00 0.26 0.06 0.24 0.37 0.00 0.00 175.52 176.45 1hqa h MET 442 N 0.15 0.56 -0.14 6.66 2.86 -1.10 0.22 114.93 124.14 1hqa h MET 442 Ca 0.06 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1hqa h MET 442 Cb 0.38 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1hqa h MET 442 CO 0.01 0.64 -0.04 -0.22 1.06 0.00 0.00 176.91 178.35 1hqa h LYS 443 N 0.39 -0.01 -0.19 1.72 3.64 -1.29 0.31 116.57 121.13 1hqa h LYS 443 Ca 0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1hqa h LYS 443 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1hqa h LYS 443 CO 0.01 -0.01 0.03 0.00 -2.27 0.00 0.00 179.45 177.21 1hqa h ALA 444 N 1.12 0.25 -0.80 5.00 0.00 -1.17 -0.41 119.26 123.27 1hqa h ALA 444 Ca 0.07 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1hqa h ALA 444 Cb 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1hqa h ALA 444 CO -0.15 -0.07 0.44 0.00 0.00 0.00 0.00 179.25 179.47 1hqa h ALA 445 N 0.83 1.13 -0.00 0.00 0.00 -0.15 0.14 119.26 121.21 1hqa h ALA 445 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hqa h ALA 445 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hqa h ALA 445 CO 0.00 0.05 -0.02 -0.11 0.00 0.00 0.00 179.25 179.17 1hqa n LEU 446 N -4.78 0.15 -0.43 0.00 7.94 0.06 -1.60 117.00 118.33 1hqa n LEU 446 Ca 0.13 0.12 -0.06 0.00 -1.11 0.00 0.00 56.01 55.09 1hqa n LEU 446 Cb 0.29 -0.17 -0.02 0.00 0.53 0.00 0.00 43.42 44.04 1hqa n LEU 446 CO 0.26 0.03 -0.05 0.61 -1.11 0.00 0.00 177.39 177.12 1hqa n GLY 447 N 1.20 0.70 3.71 -3.96 0.00 0.50 -4.94 105.19 102.40 1hqa n GLY 447 Ca 0.17 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1hqa n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqa s LEU 448 N -1.29 4.38 0.00 0.99 1.02 -0.31 -4.99 118.68 118.48 1hqa s LEU 448 Ca 0.00 2.75 0.04 0.00 0.02 0.00 0.00 54.13 56.94 1hqa s LEU 448 Cb 0.00 -3.58 0.03 0.00 0.02 0.00 0.00 46.19 42.66 1hqa s LEU 448 CO 0.00 -0.95 0.62 1.17 0.02 0.00 0.00 176.35 177.21