#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqf n GLN 5 N 0.00 1.30 -0.00 3.23 6.02 -1.26 -4.68 117.38 122.00 3kqf n GLN 5 Ca 0.00 -0.06 0.08 0.00 -0.01 0.00 0.00 57.00 57.02 3kqf n GLN 5 Cb 0.00 -1.28 -0.10 0.00 1.02 0.00 0.00 30.24 29.89 3kqf n GLN 5 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kqf n ASN 6 N -2.15 0.81 -4.05 1.08 3.02 -1.26 -4.90 115.26 107.80 3kqf n ASN 6 Ca -0.10 -0.88 -0.10 0.00 -0.03 0.00 0.00 54.58 53.47 3kqf n ASN 6 Cb 0.58 1.02 -0.11 0.00 -0.61 0.00 0.00 39.78 40.66 3kqf n ASN 6 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kqf s ILE 7 N -2.63 0.35 -0.02 2.41 1.01 -1.26 -0.12 121.20 120.94 3kqf s ILE 7 Ca 0.06 -1.26 0.08 0.00 0.00 0.00 0.00 60.65 59.53 3kqf s ILE 7 Cb 0.13 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 3kqf s ILE 7 CO 0.70 -0.60 -0.25 -0.44 0.00 0.00 0.00 174.94 174.35 3kqf s SER 8 N -1.96 3.09 -0.10 3.58 0.01 -0.22 -4.80 113.70 113.29 3kqf s SER 8 Ca -0.06 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3kqf s SER 8 Cb -0.05 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.82 3kqf s SER 8 CO -0.03 0.32 -0.18 -0.69 0.41 0.00 0.00 173.24 173.08 3kqf s VAL 9 N -0.60 1.64 -0.12 3.43 1.01 -1.26 -0.84 120.40 123.66 3kqf s VAL 9 Ca 0.10 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3kqf s VAL 9 Cb -0.10 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.84 3kqf s VAL 9 CO -0.01 0.47 -0.09 -0.62 0.00 0.00 0.00 175.10 174.85 3kqf s ASP 10 N 0.76 2.26 -0.36 3.32 2.15 -0.01 -4.98 116.67 119.81 3kqf s ASP 10 Ca -0.11 -0.33 0.07 0.00 0.43 0.00 0.00 52.55 52.61 3kqf s ASP 10 Cb -0.16 -0.90 0.62 0.00 -0.30 0.00 0.00 42.92 42.18 3kqf s ASP 10 CO 0.02 -0.11 1.72 -1.22 -0.17 0.00 0.00 175.17 175.41 3kqf n TYR 11 N 4.91 2.20 -0.16 -5.34 4.02 -1.26 -0.75 117.16 120.78 3kqf n TYR 11 Ca -0.13 -1.63 -0.05 0.00 -0.01 0.00 0.00 57.90 56.08 3kqf n TYR 11 Cb 0.50 -0.73 0.04 0.00 -0.02 0.00 0.00 39.34 39.14 3kqf n TYR 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kqf h ALA 12 N 1.27 0.61 -2.51 -0.72 0.00 -1.95 -3.41 119.26 112.56 3kqf h ALA 12 Ca 0.41 0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.76 3kqf h ALA 12 Cb 2.31 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.96 3kqf h ALA 12 CO 0.77 -0.11 0.23 0.99 0.00 0.00 0.00 179.25 181.13 3kqf s THR 13 N -6.14 4.96 0.21 0.00 2.01 -1.26 -5.02 115.64 110.41 3kqf s THR 13 Ca -0.13 1.41 -0.32 0.00 0.31 0.00 0.00 61.69 62.96 3kqf s THR 13 Cb 0.13 -4.04 -0.14 0.00 0.01 0.00 0.00 72.50 68.46 3kqf s THR 13 CO 0.73 0.09 1.33 -2.65 -0.69 0.00 0.00 174.62 173.43 3kqf n PRO 14 N 4.96 1.73 -0.66 4.92 -0.02 -1.26 -1.40 135.00 143.27 3kqf n PRO 14 Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3kqf n PRO 14 Cb 0.49 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3kqf n PRO 14 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kqf n HIS 15 N 1.82 0.00 -4.95 6.00 8.25 -1.26 -4.97 115.22 120.12 3kqf n HIS 15 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.31 3kqf n HIS 15 Cb 0.29 -1.03 -0.17 0.00 1.12 0.00 0.00 29.99 30.20 3kqf n HIS 15 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kqf s VAL 16 N -1.94 1.64 -0.07 1.59 1.01 -0.49 0.34 120.40 122.48 3kqf s VAL 16 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3kqf s VAL 16 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3kqf s VAL 16 CO 0.00 0.47 -0.18 0.54 0.00 0.00 0.00 175.10 175.93 3kqf s VAL 17 N 0.34 2.69 -0.21 2.92 0.11 -0.75 -4.22 120.40 121.29 3kqf s VAL 17 Ca -0.13 -0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 58.07 3kqf s VAL 17 Cb -0.16 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.66 3kqf s VAL 17 CO 0.06 0.57 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.52 3kqf s LYS 18 N -0.26 3.00 -0.23 1.54 2.20 0.07 -0.36 119.74 125.69 3kqf s LYS 18 Ca 0.01 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 54.68 3kqf s LYS 18 Cb -0.13 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 3kqf s LYS 18 CO 0.03 -0.28 0.11 0.42 -0.36 0.00 0.00 175.35 175.27 3kqf s ILE 19 N 1.33 4.93 -0.17 5.43 1.01 0.90 -0.83 121.20 133.80 3kqf s ILE 19 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3kqf s ILE 19 Cb -0.15 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.06 3kqf s ILE 19 CO -0.08 0.38 -0.17 -0.44 0.00 0.00 0.00 174.94 174.63 3kqf s SER 20 N 1.00 3.42 0.22 3.58 0.01 -0.02 -1.08 113.70 120.83 3kqf s SER 20 Ca 0.06 -0.56 -0.31 0.00 1.31 0.00 0.00 55.95 56.44 3kqf s SER 20 Cb -0.14 -1.53 -0.11 0.00 0.21 0.00 0.00 66.02 64.45 3kqf s SER 20 CO 0.03 0.03 1.61 -0.76 0.41 0.00 0.00 173.24 174.56 3kqf s LEU 21 N 1.13 4.37 -0.53 2.44 1.43 0.42 -1.06 118.68 126.88 3kqf s LEU 21 Ca 0.01 2.79 0.07 0.00 -1.03 0.00 0.00 54.13 55.97 3kqf s LEU 21 Cb -0.14 -3.61 0.31 0.00 0.03 0.00 0.00 46.19 42.78 3kqf s LEU 21 CO -0.07 -0.88 0.80 -3.20 0.23 0.00 0.00 176.35 173.23 3kqf n ASN 22 N 3.32 3.01 -3.04 2.29 5.15 0.84 -0.85 115.26 125.98 3kqf n ASN 22 Ca 0.12 -3.36 -0.18 0.00 -0.60 0.00 0.00 54.58 50.56 3kqf n ASN 22 Cb 0.37 -0.61 -0.02 0.00 -0.53 0.00 0.00 39.78 38.99 3kqf n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kqf n ARG 23 N 0.35 1.37 -0.23 1.20 1.74 -1.26 -4.57 116.66 115.26 3kqf n ARG 23 Ca 0.28 -3.58 0.03 0.00 -0.77 0.00 0.00 57.85 53.81 3kqf n ARG 23 Cb 0.47 -1.71 0.15 0.00 -1.02 0.00 0.00 32.46 30.35 3kqf n ARG 23 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3kqf h GLU 24 N 2.98 0.33 -0.21 5.56 5.08 -1.87 0.52 114.58 126.97 3kqf h GLU 24 Ca 0.08 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3kqf h GLU 24 Cb 0.94 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3kqf h GLU 24 CO 0.55 0.22 0.16 0.00 -1.00 0.00 0.00 179.01 178.94 3kqf h ARG 25 N 0.34 0.00 -0.48 2.33 3.08 -1.98 -1.50 114.38 116.18 3kqf h ARG 25 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3kqf h ARG 25 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3kqf h ARG 25 CO -0.42 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.52 3kqf n GLN 26 N -4.37 4.28 -2.43 0.04 3.00 -0.34 -4.94 117.38 112.62 3kqf n GLN 26 Ca 0.02 -3.06 -0.19 0.00 -0.01 0.00 0.00 57.00 53.76 3kqf n GLN 26 Cb 0.30 -2.13 -0.01 0.00 0.00 0.00 0.00 30.24 28.40 3kqf n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kqf n ALA 27 N 0.28 -0.67 -3.15 -1.58 0.00 -0.56 -2.28 120.51 112.55 3kqf n ALA 27 Ca 0.26 0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.63 3kqf n ALA 27 Cb 1.10 -2.06 0.02 0.00 0.00 0.00 0.00 19.45 18.51 3kqf n ALA 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kqf n ASN 28 N -1.98 -5.20 -4.77 0.00 3.02 0.03 -1.59 115.26 104.78 3kqf n ASN 28 Ca -0.22 -0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 53.67 3kqf n ASN 28 Cb 0.67 -4.23 0.04 0.00 -0.61 0.00 0.00 39.78 35.65 3kqf n ASN 28 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kqf s SER 29 N -2.71 5.16 -0.90 6.41 1.04 -0.97 -3.99 113.70 117.75 3kqf s SER 29 Ca 0.34 2.06 -0.20 0.00 0.48 0.00 0.00 55.95 58.63 3kqf s SER 29 Cb -0.16 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.50 3kqf s SER 29 CO 0.42 -1.59 1.16 -0.76 0.98 0.00 0.00 173.24 173.45 3kqf s LEU 30 N -4.67 4.64 0.59 2.42 1.43 0.94 -4.77 118.68 119.25 3kqf s LEU 30 Ca 0.69 -1.74 -0.08 0.00 -1.03 0.00 0.00 54.13 51.96 3kqf s LEU 30 Cb -0.22 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3kqf s LEU 30 CO 0.39 -1.22 0.94 -0.94 0.23 0.00 0.00 176.35 175.75 3kqf s SER 31 N 3.89 5.98 0.35 2.29 1.04 -1.26 -2.85 113.70 123.14 3kqf s SER 31 Ca 0.33 1.08 0.02 0.00 0.48 0.00 0.00 55.95 57.87 3kqf s SER 31 Cb -0.06 -2.16 0.64 0.00 0.10 0.00 0.00 66.02 64.54 3kqf s SER 31 CO -0.06 -0.90 2.01 -0.07 0.98 0.00 0.00 173.24 175.20 3kqf h LEU 32 N -0.18 0.72 -0.52 2.42 3.38 -1.97 -0.60 115.31 118.55 3kqf h LEU 32 Ca -0.45 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 3kqf h LEU 32 Cb 1.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3kqf h LEU 32 CO 0.62 0.53 0.20 0.00 0.09 0.00 0.00 178.44 179.88 3kqf h ALA 33 N 1.60 0.68 -0.58 1.53 0.00 -2.00 -1.19 119.26 119.30 3kqf h ALA 33 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kqf h ALA 33 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3kqf h ALA 33 CO -0.05 0.29 0.17 1.25 0.00 0.00 0.00 179.25 180.91 3kqf h LEU 34 N 0.70 0.85 -0.99 0.00 6.46 -1.78 -2.55 115.31 118.00 3kqf h LEU 34 Ca 0.17 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3kqf h LEU 34 Cb 0.20 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.87 3kqf h LEU 34 CO -0.01 0.84 0.49 -0.07 -0.62 0.00 0.00 178.44 179.07 3kqf h LEU 35 N 0.82 1.06 -0.11 2.25 3.38 -0.84 -0.76 115.31 121.11 3kqf h LEU 35 Ca 0.19 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3kqf h LEU 35 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kqf h LEU 35 CO -0.00 0.84 -0.01 -0.08 0.09 0.00 0.00 178.44 179.28 3kqf h GLU 36 N 1.20 0.03 -0.73 1.13 4.57 -1.00 -0.38 114.58 119.40 3kqf h GLU 36 Ca 0.31 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 3kqf h GLU 36 Cb 0.00 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3kqf h GLU 36 CO -0.05 0.02 0.29 0.93 -1.18 0.00 0.00 179.01 179.02 3kqf h GLU 37 N 0.03 1.09 -0.39 1.92 5.08 -1.04 -2.11 114.58 119.15 3kqf h GLU 37 Ca 0.05 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3kqf h GLU 37 Cb 0.07 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3kqf h GLU 37 CO -0.10 0.90 0.07 1.25 -1.00 0.00 0.00 179.01 180.13 3kqf h LEU 38 N 1.05 0.61 -0.95 1.33 5.85 -0.95 -1.81 115.31 120.44 3kqf h LEU 38 Ca 0.24 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kqf h LEU 38 Cb 0.21 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3kqf h LEU 38 CO -0.02 0.71 0.60 1.56 -0.34 0.00 0.00 178.44 180.95 3kqf h GLN 39 N 0.49 1.27 -0.52 1.25 4.20 -0.92 -0.10 115.11 120.78 3kqf h GLN 39 Ca 0.12 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3kqf h GLN 39 Cb 0.36 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3kqf h GLN 39 CO 0.01 0.86 0.16 -0.91 -0.67 0.00 0.00 178.83 178.28 3kqf h ASN 40 N 1.30 0.75 -0.53 1.46 2.35 -1.17 -1.72 115.58 118.01 3kqf h ASN 40 Ca 0.34 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 3kqf h ASN 40 Cb -0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3kqf h ASN 40 CO -0.07 0.76 -0.12 0.40 -1.65 0.00 0.00 177.43 176.75 3kqf h ILE 41 N 0.71 1.27 -0.74 2.81 2.04 -1.03 -2.64 117.51 119.91 3kqf h ILE 41 Ca 0.17 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 3kqf h ILE 41 Cb 0.27 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3kqf h ILE 41 CO -0.01 0.45 0.40 -0.07 0.00 0.00 0.00 178.15 178.93 3kqf h LEU 42 N 0.91 0.92 -0.95 1.44 3.38 -0.86 -1.34 115.31 118.82 3kqf h LEU 42 Ca 0.14 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3kqf h LEU 42 Cb 0.69 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3kqf h LEU 42 CO 0.05 0.75 0.09 0.74 0.09 0.00 0.00 178.44 180.16 3kqf h THR 43 N 1.04 1.24 0.06 0.22 2.02 -1.09 -1.05 112.91 115.35 3kqf h THR 43 Ca 0.26 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3kqf h THR 43 Cb 0.03 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3kqf h THR 43 CO -0.04 0.33 -0.03 -0.61 0.37 0.00 0.00 175.52 175.54 3kqf h GLN 44 N 0.82 -0.08 -0.51 6.66 4.15 -1.08 -3.23 115.11 121.84 3kqf h GLN 44 Ca 0.17 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.61 3kqf h GLN 44 Cb 0.36 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 3kqf h GLN 44 CO 0.01 0.35 0.34 0.82 -1.93 0.00 0.00 178.83 178.41 3kqf h ILE 45 N -0.53 1.10 -0.68 2.39 2.04 -1.17 -1.89 117.51 118.78 3kqf h ILE 45 Ca -0.01 -0.22 0.15 0.00 1.00 0.00 0.00 64.86 65.78 3kqf h ILE 45 Cb 0.47 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3kqf h ILE 45 CO 0.01 0.12 0.46 -1.13 0.00 0.00 0.00 178.15 177.62 3kqf h ASN 46 N 0.64 0.25 -0.65 1.72 -1.24 -1.21 -1.09 115.58 114.01 3kqf h ASN 46 Ca 0.19 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.22 3kqf h ASN 46 Cb -0.01 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.00 3kqf h ASN 46 CO -0.05 0.13 0.00 -0.62 -1.29 0.00 0.00 177.43 175.60 3kqf n GLU 47 N -4.44 2.93 -2.95 6.67 4.71 -0.72 -4.80 120.64 122.05 3kqf n GLU 47 Ca 0.13 -2.60 -0.44 0.00 -0.01 0.00 0.00 57.16 54.24 3kqf n GLU 47 Cb 0.56 -1.58 -0.04 0.00 -1.01 0.00 0.00 31.44 29.38 3kqf n GLU 47 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3kqf s GLU 48 N -1.18 3.14 0.46 3.49 2.02 -0.41 -4.89 118.70 121.33 3kqf s GLU 48 Ca 0.45 -1.09 0.21 0.00 0.02 0.00 0.00 54.97 54.56 3kqf s GLU 48 Cb 0.25 -4.31 1.14 0.00 0.10 0.00 0.00 34.13 31.31 3kqf s GLU 48 CO 0.28 -1.72 1.97 0.00 0.02 0.00 0.00 175.26 175.81 3kqf h ALA 49 N 9.36 1.35 0.00 5.21 0.00 -1.90 -2.76 119.26 130.52 3kqf h ALA 49 Ca -0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kqf h ALA 49 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kqf h ALA 49 CO 1.15 0.26 0.00 -0.91 0.00 0.00 0.00 179.25 179.74 3kqf h ASN 50 N 0.00 0.00 -3.53 0.00 -0.26 -1.97 -3.43 115.58 106.38 3kqf h ASN 50 Ca -0.00 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.12 3kqf h ASN 50 Cb 0.46 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.59 3kqf h ASN 50 CO 0.03 0.00 0.10 -0.89 -1.06 0.00 0.00 177.43 175.61 3kqf s THR 51 N -3.12 4.99 -0.08 2.81 2.01 -1.04 -4.22 115.64 116.98 3kqf s THR 51 Ca 0.10 0.92 0.18 0.00 0.31 0.00 0.00 61.69 63.21 3kqf s THR 51 Cb 0.11 -3.93 -0.28 0.00 0.01 0.00 0.00 72.50 68.41 3kqf s THR 51 CO 0.61 -0.03 0.30 0.54 -0.69 0.00 0.00 174.62 175.35 3kqf n ARG 52 N 5.73 0.75 -3.73 4.92 1.74 0.15 -4.88 116.66 121.34 3kqf n ARG 52 Ca -0.02 -0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 56.80 3kqf n ARG 52 Cb 0.49 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.38 3kqf n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kqf s VAL 53 N -3.04 0.04 -0.02 1.55 1.01 -0.88 -4.13 120.40 114.93 3kqf s VAL 53 Ca -0.08 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3kqf s VAL 53 Cb 0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3kqf s VAL 53 CO 0.79 -0.17 -0.23 -0.69 0.00 0.00 0.00 175.10 174.80 3kqf s VAL 54 N -0.98 1.82 -0.12 2.92 1.01 -0.61 -1.81 120.40 122.62 3kqf s VAL 54 Ca -0.10 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3kqf s VAL 54 Cb -0.04 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3kqf s VAL 54 CO 0.04 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 3kqf s ILE 55 N -0.46 2.87 -0.15 2.22 1.01 0.51 -0.61 121.20 126.59 3kqf s ILE 55 Ca 0.07 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 3kqf s ILE 55 Cb -0.10 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3kqf s ILE 55 CO -0.00 0.53 -0.10 -0.76 0.00 0.00 0.00 174.94 174.61 3kqf s LEU 56 N 0.34 2.86 0.33 2.97 1.43 0.32 -0.07 118.68 126.86 3kqf s LEU 56 Ca -0.12 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3kqf s LEU 56 Cb -0.16 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3kqf s LEU 56 CO 0.06 0.14 0.52 0.28 0.23 0.00 0.00 176.35 177.58 3kqf s THR 57 N 0.51 0.00 0.16 5.49 -1.32 -0.25 -0.56 115.64 119.68 3kqf s THR 57 Ca -0.07 -1.48 0.08 0.00 -1.21 0.00 0.00 61.69 59.01 3kqf s THR 57 Cb -0.15 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 3kqf s THR 57 CO 0.04 0.00 -0.07 -0.83 -2.21 0.00 0.00 174.62 171.54 3kqf s GLY 58 N -3.17 1.74 0.43 6.08 0.00 -1.26 -0.44 107.32 110.70 3kqf s GLY 58 Ca 0.27 -1.40 -0.22 0.00 0.00 0.00 0.00 44.72 43.37 3kqf s GLY 58 CO 0.17 -1.41 1.00 0.00 0.00 0.00 0.00 173.10 172.86 3kqf s ALA 59 N -1.61 3.02 0.00 3.20 0.00 -0.03 -4.82 121.76 121.52 3kqf s ALA 59 Ca 0.25 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3kqf s ALA 59 Cb -0.09 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3kqf s ALA 59 CO 0.16 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3kqf n GLY 60 N -0.14 -2.02 0.03 0.00 0.00 -1.26 -4.58 105.19 97.23 3kqf n GLY 60 Ca 0.07 -1.63 0.02 0.00 0.00 0.00 0.00 46.02 44.48 3kqf n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kqf n GLU 61 N -0.03 2.29 -0.04 1.61 -0.58 -1.26 -4.76 120.64 117.86 3kqf n GLU 61 Ca 0.00 -1.63 -0.05 0.00 -0.42 0.00 0.00 57.16 55.06 3kqf n GLU 61 Cb 0.00 -1.05 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 3kqf n GLU 61 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kqf n LYS 62 N -0.64 2.06 -3.77 3.49 5.02 -1.26 -4.73 118.16 118.33 3kqf n LYS 62 Ca 0.03 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 3kqf n LYS 62 Cb 0.37 -1.22 -0.15 0.00 -0.02 0.00 0.00 35.03 34.01 3kqf n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqf s ALA 63 N -2.21 -0.12 -0.10 7.82 0.00 -1.26 -1.49 121.76 124.39 3kqf s ALA 63 Ca -0.07 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 3kqf s ALA 63 Cb 0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 23.12 22.69 3kqf s ALA 63 CO 0.32 -0.12 0.50 0.35 0.00 0.00 0.00 175.76 176.81 3kqf h PHE 64 N 7.03 -0.05 -0.82 0.00 3.57 -1.16 -3.39 116.94 122.12 3kqf h PHE 64 Ca -0.41 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.27 3kqf h PHE 64 Cb 1.15 0.02 -0.23 0.00 2.79 0.00 0.00 35.95 39.68 3kqf h PHE 64 CO 0.45 0.44 0.13 0.00 -2.23 0.00 0.00 178.31 177.10 3kqf n ALA 66 N 5.19 2.51 0.00 0.00 0.00 -0.62 -1.68 120.51 125.91 3kqf n ALA 66 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3kqf n ALA 66 Cb 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3kqf n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqf n GLY 67 N 0.69 -1.21 3.77 0.00 0.00 -1.06 -4.53 105.19 102.85 3kqf n GLY 67 Ca 0.19 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 3kqf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqf s ALA 68 N -1.95 3.23 -0.54 4.61 0.00 -1.26 -0.04 121.76 125.80 3kqf s ALA 68 Ca 0.00 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 3kqf s ALA 68 Cb 0.00 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 3kqf s ALA 68 CO 0.00 -1.21 1.63 0.34 0.00 0.00 0.00 175.76 176.52 3kqf s ASP 69 N -0.50 5.79 0.38 0.00 3.68 -1.13 -4.63 116.67 120.26 3kqf s ASP 69 Ca 0.61 0.46 0.20 0.00 2.13 0.00 0.00 52.55 55.95 3kqf s ASP 69 Cb -0.44 -2.54 0.63 0.00 -1.45 0.00 0.00 42.92 39.12 3kqf s ASP 69 CO 0.56 -1.94 1.70 -0.07 0.13 0.00 0.00 175.17 175.55 3kqf h LEU 70 N 14.34 0.00 -0.69 -1.34 3.38 -1.93 -1.82 115.31 127.25 3kqf h LEU 70 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3kqf h LEU 70 Cb 1.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3kqf h LEU 70 CO 1.17 0.32 0.25 0.11 0.09 0.00 0.00 178.44 180.38 3kqf h LYS 71 N 0.00 1.05 -0.16 1.13 1.57 -1.97 -1.49 116.57 116.71 3kqf h LYS 71 Ca -0.00 -0.21 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 3kqf h LYS 71 Cb 0.95 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kqf h LYS 71 CO 0.04 0.89 -0.68 1.49 -0.57 0.00 0.00 179.45 180.62 3kqf h GLU 72 N 1.00 0.66 -0.39 3.15 4.81 -1.92 -3.30 114.58 118.59 3kqf h GLU 72 Ca 0.23 -0.49 -0.09 0.00 -0.13 0.00 0.00 59.36 58.87 3kqf h GLU 72 Cb 0.25 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3kqf h GLU 72 CO -0.01 1.11 -0.14 -0.09 -0.73 0.00 0.00 179.01 179.15 3kqf h ARG 73 N 0.47 0.70 -6.25 1.92 9.65 -1.10 -3.45 114.38 116.33 3kqf h ARG 73 Ca -0.02 -0.24 -0.68 0.00 -1.10 0.00 0.00 59.98 57.94 3kqf h ARG 73 Cb 1.28 -0.06 0.03 0.00 -1.39 0.00 0.00 29.97 29.83 3kqf h ARG 73 CO 0.13 0.81 0.79 0.00 2.80 0.00 0.00 179.97 184.50 3kqf n ALA 74 N -2.49 -0.05 -1.53 2.80 0.00 -0.58 -4.91 120.51 113.76 3kqf n ALA 74 Ca 0.01 0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.86 3kqf n ALA 74 Cb 0.37 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 3kqf n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqf n GLY 75 N 3.64 -2.99 3.53 0.00 0.00 -1.26 -5.05 105.19 103.06 3kqf n GLY 75 Ca 0.22 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3kqf n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqf s ASN 77 N -0.02 3.01 0.23 1.61 2.20 -1.26 -5.12 114.94 115.60 3kqf s ASN 77 Ca -0.01 -1.40 -0.08 0.00 -0.94 0.00 0.00 52.86 50.44 3kqf s ASN 77 Cb 0.00 -0.15 0.40 0.00 -2.00 0.00 0.00 41.25 39.50 3kqf s ASN 77 CO 0.02 -0.58 1.66 -0.08 -2.94 0.00 0.00 177.10 175.18 3kqf h GLU 78 N 1.94 0.16 -0.55 3.55 4.81 -2.02 -0.24 114.58 122.23 3kqf h GLU 78 Ca -0.42 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.70 3kqf h GLU 78 Cb 1.25 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3kqf h GLU 78 CO 0.73 0.10 -0.06 0.93 -0.73 0.00 0.00 179.01 179.99 3kqf h GLU 79 N 0.16 1.00 -0.50 1.92 3.07 -2.03 -2.35 114.58 115.85 3kqf h GLU 79 Ca 0.38 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 3kqf h GLU 79 Cb 0.65 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3kqf h GLU 79 CO -0.57 1.01 0.21 1.96 -1.40 0.00 0.00 179.01 180.23 3kqf h GLN 80 N 0.90 0.74 -0.12 2.33 4.20 -1.63 -2.11 115.11 119.41 3kqf h GLN 80 Ca 0.15 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3kqf h GLN 80 Cb 0.60 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3kqf h GLN 80 CO 0.04 0.65 0.04 0.28 -0.67 0.00 0.00 178.83 179.16 3kqf h VAL 81 N 0.67 0.96 -0.99 -0.54 2.07 -0.88 -0.74 116.25 116.80 3kqf h VAL 81 Ca 0.17 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3kqf h VAL 81 Cb 0.17 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3kqf h VAL 81 CO -0.02 0.02 0.65 0.03 0.02 0.00 0.00 177.57 178.27 3kqf h ARG 82 N 0.10 1.23 -0.48 1.57 3.08 -1.32 -0.71 114.38 117.85 3kqf h ARG 82 Ca 0.05 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3kqf h ARG 82 Cb 0.03 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3kqf h ARG 82 CO -0.06 0.81 -0.13 1.25 -1.07 0.00 0.00 179.97 180.77 3kqf h HIS 83 N 1.27 1.05 -0.27 3.04 2.76 -1.11 -1.19 115.15 120.70 3kqf h HIS 83 Ca 0.39 -0.23 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3kqf h HIS 83 Cb -0.01 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 3kqf h HIS 83 CO -0.00 1.02 -0.05 0.00 -1.30 0.00 0.00 177.93 177.59 3kqf h ALA 84 N 0.88 0.37 -0.49 5.26 0.00 -0.66 -2.83 119.26 121.79 3kqf h ALA 84 Ca 0.12 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kqf h ALA 84 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3kqf h ALA 84 CO 0.05 0.17 0.02 0.28 0.00 0.00 0.00 179.25 179.76 3kqf h VAL 85 N 0.27 1.24 0.00 0.00 2.07 -1.15 -2.15 116.25 116.53 3kqf h VAL 85 Ca 0.07 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3kqf h VAL 85 Cb 0.52 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3kqf h VAL 85 CO 0.02 0.35 0.00 -0.24 0.02 0.00 0.00 177.57 177.72 3kqf n SER 86 N -4.22 0.19 0.00 0.57 2.88 -0.45 -1.04 113.62 111.55 3kqf n SER 86 Ca 0.03 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 3kqf n SER 86 Cb 0.29 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3kqf n SER 86 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kqf n ILE 88 N 0.76 0.00 -0.10 2.46 5.41 -0.81 -1.04 119.36 126.04 3kqf n ILE 88 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3kqf n ILE 88 Cb 0.03 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.13 3kqf n ILE 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 3kqf h ARG 89 N 0.00 0.77 -0.76 0.38 0.11 -1.36 -2.44 114.38 111.08 3kqf h ARG 89 Ca 0.00 -0.21 -0.04 0.00 0.10 0.00 0.00 59.98 59.83 3kqf h ARG 89 Cb 0.00 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 30.96 3kqf h ARG 89 CO 0.00 0.79 0.30 1.15 0.10 0.00 0.00 179.97 182.31 3kqf h THR 90 N 0.72 1.26 0.00 0.08 2.02 -1.34 -2.18 112.91 113.47 3kqf h THR 90 Ca 0.14 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3kqf h THR 90 Cb 0.46 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3kqf h THR 90 CO 0.02 0.33 0.00 0.41 0.37 0.00 0.00 175.52 176.65 3kqf n THR 91 N -4.31 0.06 -0.98 3.16 -1.04 -0.92 -4.71 114.28 105.53 3kqf n THR 91 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3kqf n THR 91 Cb 0.18 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3kqf n THR 91 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kqf n GLU 93 N 0.80 -1.41 0.00 -2.82 1.02 -0.82 -4.67 120.64 112.74 3kqf n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kqf n GLU 93 Cb 0.03 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3kqf n GLU 93 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kqf n VAL 95 N -0.69 0.00 -0.17 2.62 0.31 -1.26 -0.90 118.33 118.24 3kqf n VAL 95 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3kqf n VAL 95 Cb 0.13 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.12 3kqf n VAL 95 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kqf h GLU 96 N 0.00 0.10 -0.09 5.55 4.81 -1.83 -2.87 114.58 120.26 3kqf h GLU 96 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kqf h GLU 96 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3kqf h GLU 96 CO 0.00 0.07 0.00 1.04 -0.73 0.00 0.00 179.01 179.39 3kqf n GLN 97 N -5.25 1.42 -1.77 1.92 6.02 -0.08 -4.90 117.38 114.74 3kqf n GLN 97 Ca 0.06 -0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 56.02 3kqf n GLN 97 Cb 0.28 -1.36 0.02 0.00 1.02 0.00 0.00 30.24 30.20 3kqf n GLN 97 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kqf s LEU 98 N -1.61 4.13 0.45 1.08 1.43 -1.08 -4.88 118.68 118.19 3kqf s LEU 98 Ca 0.31 2.97 0.20 0.00 -1.03 0.00 0.00 54.13 56.58 3kqf s LEU 98 Cb 0.16 -3.91 1.07 0.00 0.03 0.00 0.00 46.19 43.54 3kqf s LEU 98 CO 0.25 -1.18 1.95 1.55 0.23 0.00 0.00 176.35 179.15 3kqf h PRO 99 N 2.36 0.00 -6.94 1.29 0.13 -1.90 -3.44 132.00 123.50 3kqf h PRO 99 Ca -0.51 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.15 3kqf h PRO 99 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3kqf h PRO 99 CO 0.61 0.23 0.23 -0.65 -0.23 0.00 0.00 178.00 178.19 3kqf s GLN 100 N -4.23 4.01 0.52 0.86 1.11 -1.26 -4.60 119.66 116.07 3kqf s GLN 100 Ca -0.03 0.82 -0.22 0.00 0.01 0.00 0.00 55.36 55.94 3kqf s GLN 100 Cb 0.14 -2.29 -0.06 0.00 -1.01 0.00 0.00 33.01 29.79 3kqf s GLN 100 CO 0.66 -0.03 1.34 -2.14 0.01 0.00 0.00 175.29 175.13 3kqf s PRO 101 N -3.44 3.32 -0.12 2.91 0.02 -1.26 -4.85 135.00 131.58 3kqf s PRO 101 Ca 0.57 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.79 3kqf s PRO 101 Cb -0.10 -2.35 0.02 0.00 0.02 0.00 0.00 34.50 32.09 3kqf s PRO 101 CO 0.22 -1.03 -0.14 0.08 -0.33 0.00 0.00 177.00 175.79 3kqf s VAL 102 N -1.32 1.50 -0.19 3.83 1.01 -1.26 -1.57 120.40 122.40 3kqf s VAL 102 Ca 0.69 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 3kqf s VAL 102 Cb -0.39 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3kqf s VAL 102 CO 0.47 0.44 0.01 -0.63 0.00 0.00 0.00 175.10 175.39 3kqf s ILE 103 N 1.19 4.09 -0.14 2.22 1.01 0.22 -0.87 121.20 128.92 3kqf s ILE 103 Ca -0.02 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 3kqf s ILE 103 Cb -0.14 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 3kqf s ILE 103 CO -0.05 0.44 0.65 0.00 0.00 0.00 0.00 174.94 175.98 3kqf s ALA 104 N 0.81 3.47 -0.49 9.38 0.00 -0.49 -0.53 121.76 133.91 3kqf s ALA 104 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 3kqf s ALA 104 Cb -0.14 -2.94 0.13 0.00 0.00 0.00 0.00 23.12 20.17 3kqf s ALA 104 CO 0.02 -0.34 0.31 0.00 0.00 0.00 0.00 175.76 175.75 3kqf s ALA 105 N 1.40 3.34 -0.74 0.00 0.00 0.28 -0.35 121.76 125.70 3kqf s ALA 105 Ca 0.32 -2.75 -0.22 0.00 0.00 0.00 0.00 51.96 49.30 3kqf s ALA 105 Cb -0.16 -2.59 0.07 0.00 0.00 0.00 0.00 23.12 20.44 3kqf s ALA 105 CO 0.13 -1.91 1.06 0.42 0.00 0.00 0.00 175.76 175.46 3kqf s ILE 106 N 0.84 4.29 -1.62 0.00 1.01 0.49 -4.24 121.20 121.97 3kqf s ILE 106 Ca 0.10 -0.50 0.28 0.00 0.00 0.00 0.00 60.65 60.54 3kqf s ILE 106 Cb -0.22 -4.76 0.39 0.00 0.01 0.00 0.00 42.46 37.88 3kqf s ILE 106 CO -0.03 -1.55 1.79 -0.46 0.00 0.00 0.00 174.94 174.68 3kqf n ASN 107 N 7.80 0.57 0.00 3.58 6.94 -1.26 -0.60 115.26 132.29 3kqf n ASN 107 Ca 0.04 -0.58 0.00 0.00 -0.02 0.00 0.00 54.58 54.02 3kqf n ASN 107 Cb 0.47 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 3kqf n ASN 107 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqf n GLY 108 N 1.31 1.64 3.69 4.83 0.00 -1.26 -4.38 105.19 111.02 3kqf n GLY 108 Ca 0.13 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 3kqf n GLY 108 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kqf n ILE 109 N 0.00 0.89 -3.57 -0.61 3.06 -0.56 -3.75 119.36 114.82 3kqf n ILE 109 Ca 0.00 -0.22 -0.29 0.00 -2.50 0.00 0.00 62.75 59.73 3kqf n ILE 109 Cb 0.00 -1.61 -0.13 0.00 0.54 0.00 0.00 39.64 38.43 3kqf n ILE 109 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kqf s ALA 110 N 0.04 1.15 -0.03 1.51 0.00 0.21 -0.94 121.76 123.70 3kqf s ALA 110 Ca 0.68 -1.75 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3kqf s ALA 110 Cb -0.61 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 3kqf s ALA 110 CO 0.48 -1.90 -0.20 -0.51 0.00 0.00 0.00 175.76 173.63 3kqf s LEU 111 N 1.32 2.00 0.00 0.00 1.43 -0.68 -2.74 118.68 120.01 3kqf s LEU 111 Ca 0.14 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3kqf s LEU 111 Cb -0.20 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.93 3kqf s LEU 111 CO -0.14 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.27 3kqf n GLY 112 N 2.85 3.59 0.44 -3.19 0.00 -0.31 -1.09 105.19 107.48 3kqf n GLY 112 Ca -0.17 0.13 0.26 0.00 0.00 0.00 0.00 46.02 46.24 3kqf n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kqf h GLY 113 N 0.00 0.00 0.97 -0.02 0.00 -1.88 0.53 103.07 102.66 3kqf h GLY 113 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3kqf h GLY 113 CO 0.00 0.00 -0.14 -1.33 0.00 0.00 0.00 176.54 175.07 3kqf h GLY 114 N 0.00 0.81 1.27 4.60 0.00 -1.23 0.18 103.07 108.70 3kqf h GLY 114 Ca 0.36 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3kqf h GLY 114 CO -0.00 0.64 -0.26 -0.84 0.00 0.00 0.00 176.54 176.08 3kqf h THR 115 N 0.54 1.27 -0.94 4.70 2.02 -1.03 -2.56 112.91 116.92 3kqf h THR 115 Ca 0.09 -1.40 0.01 0.00 0.77 0.00 0.00 66.41 65.88 3kqf h THR 115 Cb 0.68 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3kqf h THR 115 CO 0.05 0.47 0.62 -0.33 0.37 0.00 0.00 175.52 176.69 3kqf h GLU 116 N 0.71 1.22 -0.67 6.66 5.08 -0.96 -0.97 114.58 125.65 3kqf h GLU 116 Ca 0.09 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3kqf h GLU 116 Cb 0.79 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3kqf h GLU 116 CO 0.07 0.81 0.28 1.25 -1.00 0.00 0.00 179.01 180.41 3kqf h LEU 117 N 1.26 0.92 -1.18 1.33 5.85 -0.89 -2.07 115.31 120.53 3kqf h LEU 117 Ca 0.35 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3kqf h LEU 117 Cb -0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 3kqf h LEU 117 CO -0.08 0.83 -0.38 0.77 -0.34 0.00 0.00 178.44 179.24 3kqf h SER 118 N 0.95 0.05 0.88 1.25 4.64 -0.99 -2.50 113.55 117.83 3kqf h SER 118 Ca 0.23 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.45 3kqf h SER 118 Cb 0.19 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3kqf h SER 118 CO -0.02 0.43 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.94 3kqf h LEU 119 N 0.04 0.00 -0.54 5.97 3.38 -0.73 -2.81 115.31 120.62 3kqf h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kqf h LEU 119 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kqf h LEU 119 CO 0.05 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3kqf h ALA 120 N 1.64 1.00 -2.22 1.53 0.00 -0.92 -3.44 119.26 116.85 3kqf h ALA 120 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3kqf h ALA 120 Cb 0.89 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kqf h ALA 120 CO 0.05 0.00 0.33 0.00 0.00 0.00 0.00 179.25 179.63 3kqf h ASP 122 N 0.97 0.19 -5.26 0.00 3.32 -1.30 -3.46 116.42 110.88 3kqf h ASP 122 Ca -0.47 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 3kqf h ASP 122 Cb 1.18 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.61 3kqf h ASP 122 CO 0.62 0.14 -0.15 0.72 -1.72 0.00 0.00 179.24 178.85 3kqf s PHE 123 N -6.17 0.39 -0.03 4.55 -0.12 -1.18 -5.04 117.98 110.38 3kqf s PHE 123 Ca -0.13 -0.75 0.03 0.00 -0.05 0.00 0.00 56.93 56.04 3kqf s PHE 123 Cb 0.09 0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.62 3kqf s PHE 123 CO 0.70 -0.95 -0.12 1.03 -0.05 0.00 0.00 175.22 175.82 3kqf s ARG 124 N -4.02 1.23 -0.13 1.99 0.52 -1.26 -1.40 118.95 115.88 3kqf s ARG 124 Ca 0.23 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 3kqf s ARG 124 Cb -0.00 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.35 3kqf s ARG 124 CO 0.08 0.18 -0.20 0.42 0.02 0.00 0.00 175.30 175.80 3kqf s ILE 125 N 0.07 2.31 0.06 1.52 1.01 0.53 -1.16 121.20 125.54 3kqf s ILE 125 Ca -0.02 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.80 3kqf s ILE 125 Cb -0.09 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3kqf s ILE 125 CO 0.01 0.54 -0.20 0.00 0.00 0.00 0.00 174.94 175.29 3kqf s ALA 126 N 0.61 2.55 0.46 9.38 0.00 -0.10 -0.38 121.76 134.27 3kqf s ALA 126 Ca -0.11 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.36 3kqf s ALA 126 Cb -0.16 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 3kqf s ALA 126 CO 0.03 0.57 1.15 0.00 0.00 0.00 0.00 175.76 177.51 3kqf s ALA 127 N -0.96 2.96 0.51 0.00 0.00 0.24 -1.54 121.76 122.96 3kqf s ALA 127 Ca 0.15 0.91 0.24 0.00 0.00 0.00 0.00 51.96 53.25 3kqf s ALA 127 Cb -0.10 -3.37 1.34 0.00 0.00 0.00 0.00 23.12 20.99 3kqf s ALA 127 CO 0.06 -0.63 1.97 0.93 0.00 0.00 0.00 175.76 178.09 3kqf h GLU 128 N 2.00 0.07 -0.02 0.00 5.08 -1.14 -1.07 114.58 119.51 3kqf h GLU 128 Ca -0.49 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3kqf h GLU 128 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3kqf h GLU 128 CO 0.60 0.05 0.00 -1.13 -1.00 0.00 0.00 179.01 177.53 3kqf n SER 129 N -4.39 1.80 -4.79 1.42 3.41 -1.26 -4.39 113.62 105.42 3kqf n SER 129 Ca 0.11 -1.60 -0.32 0.00 -0.26 0.00 0.00 58.87 56.80 3kqf n SER 129 Cb 0.62 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3kqf n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kqf s ALA 130 N -2.00 2.60 0.02 7.33 0.00 -0.41 -4.82 121.76 124.49 3kqf s ALA 130 Ca 0.36 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3kqf s ALA 130 Cb 0.21 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 3kqf s ALA 130 CO 0.33 -1.13 -0.06 -1.54 0.00 0.00 0.00 175.76 173.36 3kqf s SER 131 N -3.05 0.62 0.26 0.00 1.04 -1.25 -1.95 113.70 109.38 3kqf s SER 131 Ca 0.63 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.73 3kqf s SER 131 Cb -0.17 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 3kqf s SER 131 CO 0.44 -0.11 0.06 -0.76 0.98 0.00 0.00 173.24 173.85 3kqf s LEU 132 N -0.95 1.93 0.00 2.42 1.02 -0.06 -0.62 118.68 122.42 3kqf s LEU 132 Ca -0.06 -1.33 0.00 0.00 0.02 0.00 0.00 54.13 52.76 3kqf s LEU 132 Cb -0.07 -0.15 0.00 0.00 0.02 0.00 0.00 46.19 46.00 3kqf s LEU 132 CO -0.00 -0.64 0.00 0.61 0.02 0.00 0.00 176.35 176.34 3kqf n GLY 133 N -0.49 3.51 3.23 -3.19 0.00 -1.11 -0.34 105.19 106.80 3kqf n GLY 133 Ca -0.02 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3kqf n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqf s LEU 134 N 0.00 5.92 0.00 0.99 1.43 -1.26 -1.16 118.68 124.60 3kqf s LEU 134 Ca 0.00 -2.26 0.28 0.00 -1.03 0.00 0.00 54.13 51.11 3kqf s LEU 134 Cb 0.00 -2.05 1.27 0.00 0.03 0.00 0.00 46.19 45.44 3kqf s LEU 134 CO 0.00 -0.62 1.86 0.35 0.23 0.00 0.00 176.35 178.17 3kqf n THR 135 N 4.46 0.02 -0.27 5.49 -2.24 -1.26 -4.21 114.28 116.27 3kqf n THR 135 Ca -0.00 -0.17 0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3kqf n THR 135 Cb 0.42 0.15 0.22 0.00 -2.10 0.00 0.00 70.33 69.01 3kqf n THR 135 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kqf h GLU 136 N 1.51 0.18 0.00 -0.78 3.07 -1.89 -1.34 114.58 115.33 3kqf h GLU 136 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3kqf h GLU 136 Cb 0.32 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3kqf h GLU 136 CO 0.00 0.12 -0.09 1.79 -1.40 0.00 0.00 179.01 179.43 3kqf h THR 137 N 0.19 0.42 0.00 1.13 1.35 -1.74 0.06 112.91 114.32 3kqf h THR 137 Ca 0.47 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3kqf h THR 137 Cb 0.88 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3kqf h THR 137 CO -0.63 0.08 0.00 0.35 -0.25 0.00 0.00 175.52 175.08 3kqf n THR 138 N -3.51 0.83 -0.30 6.82 -2.24 -0.50 -1.69 114.28 113.70 3kqf n THR 138 Ca -0.02 0.19 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 3kqf n THR 138 Cb 0.22 -1.02 0.19 0.00 -2.10 0.00 0.00 70.33 67.62 3kqf n THR 138 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqf n LEU 139 N -1.89 3.21 -2.46 3.22 4.77 -0.04 -4.98 117.00 118.84 3kqf n LEU 139 Ca 0.03 -2.12 -0.20 0.00 -0.03 0.00 0.00 56.01 53.69 3kqf n LEU 139 Cb 0.22 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3kqf n LEU 139 CO 0.18 0.76 -0.16 0.00 -1.33 0.00 0.00 177.39 176.84 3kqf n ALA 140 N 0.56 -0.70 -4.17 -1.18 0.00 -0.68 -5.00 120.51 109.35 3kqf n ALA 140 Ca 0.15 0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 3kqf n ALA 140 Cb 0.51 -2.67 -0.04 0.00 0.00 0.00 0.00 19.45 17.25 3kqf n ALA 140 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3kqf n ILE 141 N -4.17 0.00 -4.33 0.00 -5.35 -0.92 -5.00 119.36 99.58 3kqf n ILE 141 Ca -0.19 -1.39 -0.18 0.00 -0.27 0.00 0.00 62.75 60.72 3kqf n ILE 141 Cb 0.66 0.44 -0.10 0.00 -1.74 0.00 0.00 39.64 38.89 3kqf n ILE 141 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 3kqf s ILE 142 N -2.33 1.55 0.07 7.28 -4.36 -1.26 -2.69 121.20 119.44 3kqf s ILE 142 Ca 0.09 -2.16 -0.31 0.00 -0.26 0.00 0.00 60.65 58.01 3kqf s ILE 142 Cb 0.00 -2.07 -0.10 0.00 1.25 0.00 0.00 42.46 41.54 3kqf s ILE 142 CO 0.06 -0.58 1.90 -2.65 0.24 0.00 0.00 174.94 173.92 3kqf n PRO 143 N -0.37 2.76 -0.07 0.37 -0.02 -1.26 -4.84 135.00 131.58 3kqf n PRO 143 Ca -0.08 1.01 0.06 0.00 -2.02 0.00 0.00 63.50 62.47 3kqf n PRO 143 Cb 0.61 -2.93 0.09 0.00 -0.02 0.00 0.00 33.50 31.25 3kqf n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqf n GLY 144 N 4.38 0.90 2.11 -1.23 0.00 -1.26 -4.42 105.19 105.67 3kqf n GLY 144 Ca 0.19 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3kqf n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqf n ALA 145 N 0.57 4.91 -0.06 4.61 0.00 -1.26 -4.69 120.51 124.60 3kqf n ALA 145 Ca 0.08 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.72 3kqf n ALA 145 Cb 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3kqf n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqf n GLY 146 N -0.67 0.71 0.37 0.00 0.00 -1.26 -4.86 105.19 99.48 3kqf n GLY 146 Ca 0.42 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.55 3kqf n GLY 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kqf h GLY 147 N 0.00 1.28 2.00 -0.02 0.00 -1.92 0.44 103.07 104.85 3kqf h GLY 147 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3kqf h GLY 147 CO 0.00 0.10 0.00 -0.91 0.00 0.00 0.00 176.54 175.73 3kqf h THR 148 N 0.75 0.00 0.00 4.70 1.35 -1.94 -2.93 112.91 114.84 3kqf h THR 148 Ca 0.45 -0.48 -0.37 0.00 -0.55 0.00 0.00 66.41 65.46 3kqf h THR 148 Cb 0.67 1.40 -0.06 0.00 -1.73 0.00 0.00 68.15 68.43 3kqf h THR 148 CO -0.21 0.00 -2.25 0.00 -0.25 0.00 0.00 175.52 172.80 3kqf n GLN 149 N -2.72 0.48 0.11 4.72 1.13 -0.35 -4.51 117.38 116.24 3kqf n GLN 149 Ca 0.02 0.20 -0.04 0.00 -1.94 0.00 0.00 57.00 55.25 3kqf n GLN 149 Cb 0.33 -1.31 0.12 0.00 0.11 0.00 0.00 30.24 29.48 3kqf n GLN 149 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kqf h ARG 150 N -0.73 0.10 0.06 -1.09 3.08 -0.33 -3.10 114.38 112.37 3kqf h ARG 150 Ca -0.56 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.40 3kqf h ARG 150 Cb 1.52 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.59 3kqf h ARG 150 CO -0.32 0.73 -0.03 1.25 -1.07 0.00 0.00 179.97 180.53 3kqf h LEU 151 N 0.07 -0.07 -1.49 3.04 5.85 -1.69 -2.16 115.31 118.86 3kqf h LEU 151 Ca -0.01 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 3kqf h LEU 151 Cb 1.18 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3kqf h LEU 151 CO 0.09 0.32 -0.25 1.55 -0.34 0.00 0.00 178.44 179.82 3kqf h PRO 152 N -0.47 0.00 -0.25 5.25 0.13 -1.78 -1.36 132.00 133.51 3kqf h PRO 152 Ca -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 3kqf h PRO 152 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3kqf h PRO 152 CO 0.01 0.25 -0.16 0.00 -0.23 0.00 0.00 178.00 177.88 3kqf h ARG 153 N 0.00 0.43 0.07 0.86 3.08 -1.45 -0.13 114.38 117.25 3kqf h ARG 153 Ca -0.00 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.75 3kqf h ARG 153 Cb 0.53 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3kqf h ARG 153 CO 0.03 0.59 -0.86 1.25 -1.07 0.00 0.00 179.97 179.90 3kqf h LEU 154 N 0.40 0.24 -1.88 3.04 5.85 -0.70 -3.41 115.31 118.86 3kqf h LEU 154 Ca 0.07 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.93 3kqf h LEU 154 Cb 0.51 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3kqf h LEU 154 CO 0.03 1.38 0.00 2.30 -0.34 0.00 0.00 178.44 181.81 3kqf n ILE 155 N -4.24 0.37 0.00 4.05 -5.35 -0.58 -4.92 119.36 108.69 3kqf n ILE 155 Ca -0.19 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 3kqf n ILE 155 Cb 0.74 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 3kqf n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kqf n GLY 156 N 0.30 1.47 0.30 3.28 0.00 -0.06 -4.59 105.19 105.89 3kqf n GLY 156 Ca 0.05 -1.74 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 3kqf n GLY 156 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kqf h VAL 157 N 0.00 1.26 0.30 1.61 3.04 -1.91 -2.41 116.25 118.13 3kqf h VAL 157 Ca 0.00 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 64.61 3kqf h VAL 157 Cb 0.00 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 3kqf h VAL 157 CO 0.00 0.39 -0.14 1.23 -1.01 0.00 0.00 177.57 178.03 3kqf h GLY 158 N 1.01 -0.42 1.03 3.17 0.00 -1.94 -0.65 103.07 105.27 3kqf h GLY 158 Ca 0.17 0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.59 3kqf h GLY 158 CO 0.02 -0.15 0.11 -0.09 0.00 0.00 0.00 176.54 176.43 3kqf h ARG 159 N -0.50 1.00 -0.95 4.80 9.65 -1.81 -2.30 114.38 124.27 3kqf h ARG 159 Ca -0.04 -0.26 0.03 0.00 -1.10 0.00 0.00 59.98 58.60 3kqf h ARG 159 Cb 0.37 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.78 3kqf h ARG 159 CO 0.07 0.93 0.62 0.00 2.80 0.00 0.00 179.97 184.39 3kqf h ALA 160 N 1.02 1.24 -0.19 2.80 0.00 -1.31 -1.97 119.26 120.85 3kqf h ALA 160 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kqf h ALA 160 Cb 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kqf h ALA 160 CO 0.01 0.53 -0.01 0.87 0.00 0.00 0.00 179.25 180.65 3kqf h LYS 161 N 1.23 0.34 -0.77 0.00 1.57 -0.94 -0.97 116.57 117.03 3kqf h LYS 161 Ca 0.37 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3kqf h LYS 161 Cb -0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3kqf h LYS 161 CO -0.11 0.55 0.31 1.05 -0.57 0.00 0.00 179.45 180.69 3kqf h GLU 162 N 0.09 1.15 -0.23 3.15 -0.00 -1.25 0.11 114.58 117.61 3kqf h GLU 162 Ca 0.05 -0.20 -0.03 0.00 -0.00 0.00 0.00 59.36 59.18 3kqf h GLU 162 Cb 0.40 -0.19 -0.01 0.00 -0.00 0.00 0.00 28.75 28.96 3kqf h GLU 162 CO 0.01 0.93 0.01 -0.07 -0.00 0.00 0.00 179.01 179.89 3kqf h LEU 163 N 1.12 0.39 -0.33 3.06 3.38 -1.30 -2.02 115.31 119.61 3kqf h LEU 163 Ca 0.26 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3kqf h LEU 163 Cb 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kqf h LEU 163 CO -0.02 0.59 -0.28 0.40 0.09 0.00 0.00 178.44 179.22 3kqf h ILE 164 N 0.17 1.29 -0.36 1.22 2.04 -0.99 0.68 117.51 121.56 3kqf h ILE 164 Ca 0.07 -1.44 -0.13 0.00 1.00 0.00 0.00 64.86 64.36 3kqf h ILE 164 Cb 0.38 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3kqf h ILE 164 CO 0.01 0.47 -0.30 1.88 0.00 0.00 0.00 178.15 180.21 3kqf h TYR 165 N 0.55 0.90 0.00 1.37 0.05 -0.79 -3.13 116.97 115.92 3kqf h TYR 165 Ca 0.06 -0.23 -0.23 0.00 0.05 0.00 0.00 58.73 58.38 3kqf h TYR 165 Cb 0.85 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.35 3kqf h TYR 165 CO 0.07 0.98 -1.18 1.79 -1.05 0.00 0.00 178.16 178.76 3kqf h THR 166 N 0.66 1.48 -1.27 -2.88 1.35 -1.41 -3.48 112.91 107.37 3kqf h THR 166 Ca 0.08 -3.23 -0.29 0.00 -0.55 0.00 0.00 66.41 62.42 3kqf h THR 166 Cb 0.83 2.73 -0.07 0.00 -1.73 0.00 0.00 68.15 69.91 3kqf h THR 166 CO 0.07 0.85 -0.31 0.61 -0.25 0.00 0.00 175.52 176.49 3kqf n GLY 167 N 1.40 0.72 3.82 5.82 0.00 0.23 -4.82 105.19 112.36 3kqf n GLY 167 Ca -0.04 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3kqf n GLY 167 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kqf s ARG 168 N -3.87 3.80 0.03 1.61 1.70 -1.23 -4.33 118.95 116.66 3kqf s ARG 168 Ca 0.00 1.15 -0.15 0.00 -0.47 0.00 0.00 55.73 56.26 3kqf s ARG 168 Cb 0.00 -2.11 -0.06 0.00 -0.57 0.00 0.00 34.95 32.21 3kqf s ARG 168 CO 0.00 -0.41 0.44 1.03 -1.08 0.00 0.00 175.30 175.28 3kqf s ARG 169 N -3.71 3.94 0.12 3.89 0.52 -1.26 -4.42 118.95 118.03 3kqf s ARG 169 Ca 0.63 0.44 0.07 0.00 -0.52 0.00 0.00 55.73 56.35 3kqf s ARG 169 Cb -0.13 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 3kqf s ARG 169 CO 0.27 0.66 -0.18 0.96 0.02 0.00 0.00 175.30 177.02 3kqf s ILE 170 N -1.15 1.61 0.86 1.52 -4.36 0.54 -4.96 121.20 115.27 3kqf s ILE 170 Ca 0.26 -1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 58.85 3kqf s ILE 170 Cb -0.17 -1.60 0.11 0.00 1.25 0.00 0.00 42.46 42.05 3kqf s ILE 170 CO 0.15 -0.24 1.13 -0.94 0.24 0.00 0.00 174.94 175.29 3kqf s SER 171 N -2.26 4.00 0.32 4.36 1.04 -1.26 -0.88 113.70 119.02 3kqf s SER 171 Ca 0.09 1.03 0.02 0.00 0.48 0.00 0.00 55.95 57.56 3kqf s SER 171 Cb -0.07 -1.64 0.53 0.00 0.10 0.00 0.00 66.02 64.94 3kqf s SER 171 CO 0.05 -2.25 1.89 0.00 0.98 0.00 0.00 173.24 173.91 3kqf h ALA 172 N -1.29 1.36 -0.44 5.32 0.00 -1.60 -0.57 119.26 122.04 3kqf h ALA 172 Ca -0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3kqf h ALA 172 Cb 1.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3kqf h ALA 172 CO 0.62 0.47 0.14 1.96 0.00 0.00 0.00 179.25 182.45 3kqf h GLN 173 N 0.71 0.69 -0.39 0.00 7.50 -1.88 -0.31 115.11 121.44 3kqf h GLN 173 Ca 0.17 -0.14 -0.07 0.00 0.50 0.00 0.00 58.65 59.10 3kqf h GLN 173 Cb 0.20 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 3kqf h GLN 173 CO -0.01 0.66 -0.03 0.93 -1.50 0.00 0.00 178.83 178.88 3kqf h GLU 174 N 0.58 0.71 -0.82 1.46 5.08 -1.84 -1.63 114.58 118.11 3kqf h GLU 174 Ca 0.14 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3kqf h GLU 174 Cb 0.26 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 3kqf h GLU 174 CO -0.01 0.82 0.49 0.00 -1.00 0.00 0.00 179.01 179.31 3kqf h ALA 175 N 0.86 1.13 -0.47 3.43 0.00 -0.83 -1.14 119.26 122.24 3kqf h ALA 175 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kqf h ALA 175 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kqf h ALA 175 CO 0.03 0.19 0.16 -0.22 0.00 0.00 0.00 179.25 179.40 3kqf h LYS 176 N 0.87 0.71 -0.79 0.00 3.64 -0.78 -0.19 116.57 120.04 3kqf h LYS 176 Ca 0.37 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3kqf h LYS 176 Cb 0.23 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3kqf h LYS 176 CO -0.19 0.67 0.52 1.49 -2.27 0.00 0.00 179.45 179.67 3kqf h GLU 177 N 0.61 0.97 0.00 1.90 4.81 -0.66 -2.43 114.58 119.78 3kqf h GLU 177 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kqf h GLU 177 Cb 0.24 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3kqf h GLU 177 CO -0.01 0.64 -0.18 0.66 -0.73 0.00 0.00 179.01 179.40 3kqf n TYR 178 N -4.44 0.08 -0.61 0.92 4.01 -0.49 -4.92 117.16 111.71 3kqf n TYR 178 Ca 0.10 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3kqf n TYR 178 Cb 0.09 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 3kqf n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kqf n GLY 179 N 1.48 0.67 0.17 2.72 0.00 -0.81 -4.74 105.19 104.68 3kqf n GLY 179 Ca 0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3kqf n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kqf h LEU 180 N 0.00 0.66 -8.76 0.99 5.85 -1.30 -3.45 115.31 109.31 3kqf h LEU 180 Ca 0.00 -0.54 -0.68 0.00 0.84 0.00 0.00 57.88 57.50 3kqf h LEU 180 Cb 0.00 -0.20 -0.25 0.00 0.37 0.00 0.00 40.66 40.57 3kqf h LEU 180 CO 0.00 1.34 -0.87 0.68 -0.34 0.00 0.00 178.44 179.25 3kqf s VAL 181 N -3.24 2.11 -0.14 1.05 -7.23 -1.16 -4.80 120.40 106.99 3kqf s VAL 181 Ca -0.07 -1.45 0.18 0.00 -1.81 0.00 0.00 61.98 58.83 3kqf s VAL 181 Cb 0.08 -1.82 -0.14 0.00 0.56 0.00 0.00 36.38 35.06 3kqf s VAL 181 CO 0.89 0.29 0.78 -0.62 -0.31 0.00 0.00 175.10 176.13 3kqf n GLU 182 N 1.59 0.63 -3.99 4.82 4.71 -0.31 -4.37 120.64 123.72 3kqf n GLU 182 Ca -0.17 0.16 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 3kqf n GLU 182 Cb 0.52 -1.77 -0.11 0.00 -1.01 0.00 0.00 31.44 29.07 3kqf n GLU 182 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3kqf s PHE 183 N -3.01 0.30 -0.06 -0.32 0.08 -1.01 -5.03 117.98 108.92 3kqf s PHE 183 Ca -0.03 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.53 3kqf s PHE 183 Cb 0.09 -0.21 0.02 0.00 -0.57 0.00 0.00 43.02 42.35 3kqf s PHE 183 CO 0.82 -0.17 -0.06 0.08 -0.10 0.00 0.00 175.22 175.78 3kqf s VAL 184 N -1.37 0.74 0.09 -0.44 1.01 -1.26 -0.92 120.40 118.25 3kqf s VAL 184 Ca -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3kqf s VAL 184 Cb -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3kqf s VAL 184 CO -0.01 0.28 0.01 0.68 0.00 0.00 0.00 175.10 176.06 3kqf s VAL 185 N 1.08 0.20 0.52 2.92 -7.23 -0.59 -4.93 120.40 112.37 3kqf s VAL 185 Ca -0.08 -1.86 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 3kqf s VAL 185 Cb -0.14 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3kqf s VAL 185 CO -0.01 -0.75 1.34 -2.84 -0.31 0.00 0.00 175.10 172.53 3kqf s PRO 186 N -3.97 3.28 0.33 4.82 0.02 -1.26 -0.58 135.00 137.63 3kqf s PRO 186 Ca 0.15 2.19 0.04 0.00 0.02 0.00 0.00 61.00 63.40 3kqf s PRO 186 Cb 0.08 -2.32 0.65 0.00 0.02 0.00 0.00 34.50 32.92 3kqf s PRO 186 CO -0.04 -1.07 1.91 -0.24 -0.33 0.00 0.00 177.00 177.23 3kqf h VAL 187 N 1.59 0.99 0.00 3.83 3.04 -1.92 0.32 116.25 124.10 3kqf h VAL 187 Ca -0.51 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 3kqf h VAL 187 Cb 1.29 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 3kqf h VAL 187 CO 0.58 0.16 0.00 0.00 -1.01 0.00 0.00 177.57 177.30 3kqf n HIS 188 N -4.51 0.72 0.21 3.17 1.44 -1.26 -2.14 115.22 112.85 3kqf n HIS 188 Ca 0.14 0.30 0.06 0.00 -2.01 0.00 0.00 57.72 56.21 3kqf n HIS 188 Cb 0.28 -0.99 0.09 0.00 0.12 0.00 0.00 29.99 29.49 3kqf n HIS 188 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kqf n LEU 189 N -2.18 2.32 -0.10 2.39 4.77 0.05 -4.72 117.00 119.53 3kqf n LEU 189 Ca 0.02 -1.39 -0.09 0.00 -0.03 0.00 0.00 56.01 54.51 3kqf n LEU 189 Cb 0.19 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3kqf n LEU 189 CO 0.17 0.51 0.99 0.25 -1.33 0.00 0.00 177.39 177.98 3kqf h LEU 190 N 2.12 0.40 -0.31 2.23 5.85 -0.89 -1.97 115.31 122.74 3kqf h LEU 190 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3kqf h LEU 190 Cb 0.57 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3kqf h LEU 190 CO 0.00 0.33 0.17 -0.08 -0.34 0.00 0.00 178.44 178.52 3kqf h GLU 191 N 0.44 0.43 -0.25 1.25 4.81 -1.85 -1.71 114.58 117.71 3kqf h GLU 191 Ca 0.12 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3kqf h GLU 191 Cb -0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3kqf h GLU 191 CO -0.02 0.37 -0.32 1.05 -0.73 0.00 0.00 179.01 179.36 3kqf h GLU 192 N 0.38 0.51 -0.47 1.92 4.11 -1.86 -1.60 114.58 117.56 3kqf h GLU 192 Ca 0.11 -0.22 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 3kqf h GLU 192 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kqf h GLU 192 CO -0.02 0.77 0.18 -0.22 0.07 0.00 0.00 179.01 179.79 3kqf h LYS 193 N 0.44 0.72 -0.66 1.06 1.63 -1.16 0.12 116.57 118.72 3kqf h LYS 193 Ca 0.05 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 3kqf h LYS 193 Cb 0.77 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 3kqf h LYS 193 CO 0.06 0.66 0.14 0.00 -3.45 0.00 0.00 179.45 176.86 3kqf h ALA 194 N 1.02 0.87 -0.49 5.00 0.00 -1.14 -2.13 119.26 122.40 3kqf h ALA 194 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kqf h ALA 194 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kqf h ALA 194 CO -0.01 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.64 3kqf h ILE 195 N 0.99 1.27 -0.39 0.00 2.04 -1.08 -0.74 117.51 119.59 3kqf h ILE 195 Ca 0.20 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 3kqf h ILE 195 Cb 0.39 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3kqf h ILE 195 CO 0.01 0.39 -0.18 -0.33 0.00 0.00 0.00 178.15 178.04 3kqf h GLU 196 N 0.74 0.73 -0.35 2.37 5.08 -0.85 0.19 114.58 122.50 3kqf h GLU 196 Ca 0.14 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 3kqf h GLU 196 Cb 0.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3kqf h GLU 196 CO 0.03 0.86 -0.29 0.82 -1.00 0.00 0.00 179.01 179.43 3kqf h ILE 197 N 0.65 1.29 -0.70 3.13 2.04 -1.33 -2.00 117.51 120.59 3kqf h ILE 197 Ca 0.10 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.51 3kqf h ILE 197 Cb 0.66 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3kqf h ILE 197 CO 0.05 0.48 0.47 0.00 0.00 0.00 0.00 178.15 179.14 3kqf h ALA 198 N 0.75 0.89 -0.79 1.87 0.00 -0.87 -1.90 119.26 119.20 3kqf h ALA 198 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kqf h ALA 198 Cb 0.87 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3kqf h ALA 198 CO 0.08 0.31 0.36 0.93 0.00 0.00 0.00 179.25 180.92 3kqf h GLU 199 N 0.95 1.16 -0.03 0.00 5.08 -0.48 0.46 114.58 121.72 3kqf h GLU 199 Ca 0.26 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kqf h GLU 199 Cb -0.10 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 3kqf h GLU 199 CO -0.06 0.91 0.01 -0.22 -1.00 0.00 0.00 179.01 178.65 3kqf h LYS 200 N 1.14 0.04 -0.83 2.33 1.63 -0.96 -1.71 116.57 118.21 3kqf h LYS 200 Ca 0.27 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 3kqf h LYS 200 Cb 0.15 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 3kqf h LYS 200 CO -0.03 0.11 0.43 0.82 -3.45 0.00 0.00 179.45 177.32 3kqf h ILE 201 N -0.04 1.25 0.00 2.00 2.04 -1.10 -1.60 117.51 120.05 3kqf h ILE 201 Ca 0.01 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3kqf h ILE 201 Cb 0.08 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3kqf h ILE 201 CO -0.00 0.29 -0.09 0.00 0.00 0.00 0.00 178.15 178.35 3kqf h ALA 202 N 1.30 1.49 0.00 1.87 0.00 -0.69 -2.07 119.26 121.16 3kqf h ALA 202 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kqf h ALA 202 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kqf h ALA 202 CO -0.04 0.11 -0.11 -1.13 0.00 0.00 0.00 179.25 178.08 3kqf n SER 203 N -3.91 0.50 -4.91 0.00 3.41 -0.61 -4.86 113.62 103.23 3kqf n SER 203 Ca -0.02 0.43 -0.28 0.00 -0.26 0.00 0.00 58.87 58.74 3kqf n SER 203 Cb 0.18 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 63.70 3kqf n SER 203 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kqf s ASN 204 N -3.86 4.88 -0.06 4.04 0.01 -0.78 -4.75 114.94 114.43 3kqf s ASN 204 Ca 0.11 0.74 -0.30 0.00 -0.71 0.00 0.00 52.86 52.71 3kqf s ASN 204 Cb 0.15 -1.39 -0.06 0.00 0.41 0.00 0.00 41.25 40.36 3kqf s ASN 204 CO 0.60 -1.62 1.82 -0.83 -1.51 0.00 0.00 177.10 175.55 3kqf s GLY 205 N -4.49 1.37 0.35 0.66 0.00 -1.26 -4.89 107.32 99.06 3kqf s GLY 205 Ca 0.60 1.00 0.08 0.00 0.00 0.00 0.00 44.72 46.41 3kqf s GLY 205 CO 0.48 3.26 1.83 -0.56 0.00 0.00 0.00 173.10 178.12 3kqf h PRO 206 N 10.59 0.24 -0.49 2.90 0.13 -1.90 0.23 132.00 143.70 3kqf h PRO 206 Ca -0.42 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 3kqf h PRO 206 Cb 1.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3kqf h PRO 206 CO 0.96 0.47 -0.13 0.82 -0.23 0.00 0.00 178.00 179.88 3kqf h ILE 207 N 0.22 1.27 -0.36 -3.56 2.04 -1.92 -1.85 117.51 113.35 3kqf h ILE 207 Ca 0.04 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 3kqf h ILE 207 Cb 0.54 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3kqf h ILE 207 CO 0.04 0.44 0.08 0.00 0.00 0.00 0.00 178.15 178.71 3kqf h ALA 208 N 0.89 0.47 -0.32 1.87 0.00 -1.80 -0.23 119.26 120.14 3kqf h ALA 208 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3kqf h ALA 208 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kqf h ALA 208 CO 0.05 0.15 0.12 0.28 0.00 0.00 0.00 179.25 179.85 3kqf h VAL 209 N 0.43 1.19 -0.52 0.00 2.07 -0.95 0.72 116.25 119.19 3kqf h VAL 209 Ca 0.11 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3kqf h VAL 209 Cb 0.32 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3kqf h VAL 209 CO 0.00 0.21 0.26 0.03 0.02 0.00 0.00 177.57 178.09 3kqf h ARG 210 N 0.37 0.75 -0.48 1.57 3.08 -1.21 -0.86 114.38 117.60 3kqf h ARG 210 Ca 0.11 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3kqf h ARG 210 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3kqf h ARG 210 CO -0.01 0.61 0.00 -0.07 -1.07 0.00 0.00 179.97 179.44 3kqf h LEU 211 N 0.70 0.76 -0.47 3.04 3.38 -0.85 -1.94 115.31 119.93 3kqf h LEU 211 Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kqf h LEU 211 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3kqf h LEU 211 CO -0.02 0.83 0.24 0.00 0.09 0.00 0.00 178.44 179.58 3kqf h ALA 212 N 1.26 0.61 -0.44 1.53 0.00 -0.47 0.10 119.26 121.85 3kqf h ALA 212 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kqf h ALA 212 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3kqf h ALA 212 CO 0.02 0.15 0.26 -0.22 0.00 0.00 0.00 179.25 179.46 3kqf h LYS 213 N 0.62 0.51 -0.38 0.00 3.64 -0.91 -0.50 116.57 119.55 3kqf h LYS 213 Ca 0.16 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3kqf h LYS 213 Cb 0.09 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3kqf h LYS 213 CO -0.02 0.34 0.14 0.93 -2.27 0.00 0.00 179.45 178.56 3kqf h GLU 214 N 0.52 0.58 -0.26 1.90 5.08 -1.04 -1.18 114.58 120.18 3kqf h GLU 214 Ca 0.17 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3kqf h GLU 214 Cb 0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kqf h GLU 214 CO -0.08 0.57 0.09 0.00 -1.00 0.00 0.00 179.01 178.59 3kqf h ALA 215 N 0.98 0.34 0.12 3.43 0.00 -0.58 -2.09 119.26 121.46 3kqf h ALA 215 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kqf h ALA 215 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kqf h ALA 215 CO -0.01 -0.04 -0.06 0.82 0.00 0.00 0.00 179.25 179.97 3kqf h ILE 216 N 0.27 1.03 -0.46 0.00 2.04 -1.08 0.10 117.51 119.41 3kqf h ILE 216 Ca 0.09 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 3kqf h ILE 216 Cb 0.22 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3kqf h ILE 216 CO -0.00 0.14 -0.06 0.28 0.00 0.00 0.00 178.15 178.51 3kqf h SER 217 N -0.44 0.78 0.15 1.72 0.02 -1.23 -1.95 113.55 112.60 3kqf h SER 217 Ca -0.02 -0.21 -0.35 0.00 -0.84 0.00 0.00 61.79 60.37 3kqf h SER 217 Cb 0.36 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3kqf h SER 217 CO 0.03 0.88 -1.85 0.78 -1.14 0.00 0.00 176.83 175.53 3kqf h ASN 218 N 0.74 0.51 -0.33 3.07 2.35 -1.46 -3.39 115.58 117.06 3kqf h ASN 218 Ca 0.13 -0.94 -0.03 0.00 -0.55 0.00 0.00 56.30 54.91 3kqf h ASN 218 Cb 0.53 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3kqf h ASN 218 CO 0.03 1.81 0.12 1.23 -1.65 0.00 0.00 177.43 178.98 3kqf h GLY 219 N 0.81 0.61 2.00 2.83 0.00 -0.72 -2.33 103.07 106.26 3kqf h GLY 219 Ca -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3kqf h GLY 219 CO 0.13 0.29 0.00 1.19 0.00 0.00 0.00 176.54 178.15 3kqf h ILE 220 N 0.56 0.00 -0.00 2.60 6.09 -1.53 -2.90 117.51 122.33 3kqf h ILE 220 Ca 0.13 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 3kqf h ILE 220 Cb 0.17 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.63 3kqf h ILE 220 CO -0.01 0.00 -0.01 0.00 -3.07 0.00 0.00 178.15 175.06 3kqf n GLN 221 N -2.60 0.05 -2.79 2.19 1.13 -0.88 -4.91 117.38 109.57 3kqf n GLN 221 Ca 0.01 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.99 3kqf n GLN 221 Cb 0.25 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.07 3kqf n GLN 221 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3kqf n VAL 222 N -1.48 0.00 -2.14 5.09 0.24 -1.09 -5.14 118.33 113.81 3kqf n VAL 222 Ca 0.08 -0.77 -0.35 0.00 -2.04 0.00 0.00 64.34 61.26 3kqf n VAL 222 Cb 0.33 0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.98 3kqf n VAL 222 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3kqf s ASP 223 N -1.82 5.56 0.20 -1.34 -4.77 -1.26 -4.84 116.67 108.40 3kqf s ASP 223 Ca 0.06 2.16 -0.12 0.00 -3.30 0.00 0.00 52.55 51.35 3kqf s ASP 223 Cb 0.00 -2.58 0.23 0.00 -1.09 0.00 0.00 42.92 39.49 3kqf s ASP 223 CO 0.04 -1.33 1.69 0.25 0.70 0.00 0.00 175.17 176.52 3kqf h LEU 224 N 0.95 -0.15 -0.26 2.11 5.85 -1.98 -0.73 115.31 121.11 3kqf h LEU 224 Ca -0.49 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3kqf h LEU 224 Cb 1.26 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 3kqf h LEU 224 CO 0.56 -0.05 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.81 3kqf h HIS 225 N 0.16 -0.14 -0.70 1.25 2.76 -1.98 0.24 115.15 116.73 3kqf h HIS 225 Ca 0.28 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.41 3kqf h HIS 225 Cb 0.42 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 3kqf h HIS 225 CO -0.29 -0.11 0.19 1.15 -1.30 0.00 0.00 177.93 177.56 3kqf h THR 226 N -0.00 1.26 -0.91 6.26 2.02 -1.85 -2.78 112.91 116.92 3kqf h THR 226 Ca 0.12 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.44 3kqf h THR 226 Cb 0.19 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 3kqf h THR 226 CO -0.26 0.36 0.56 1.23 0.37 0.00 0.00 175.52 177.78 3kqf h GLY 227 N 1.06 1.40 1.43 2.16 0.00 -0.32 -2.05 103.07 106.74 3kqf h GLY 227 Ca 0.22 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3kqf h GLY 227 CO -0.00 0.24 0.02 1.41 0.00 0.00 0.00 176.54 178.20 3kqf h LEU 228 N 0.99 0.67 -2.22 3.11 3.38 -0.72 -1.58 115.31 118.94 3kqf h LEU 228 Ca 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kqf h LEU 228 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kqf h LEU 228 CO -0.20 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.06 3kqf n GLN 229 N -4.24 0.47 0.00 1.13 1.13 -0.77 -1.41 117.38 113.68 3kqf n GLN 229 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3kqf n GLN 229 Cb 0.27 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.36 3kqf n GLN 229 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kqf n GLU 231 N 0.91 0.00 -0.05 -1.09 2.13 -0.60 -2.20 120.64 119.74 3kqf n GLU 231 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3kqf n GLU 231 Cb 0.23 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.92 3kqf n GLU 231 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3kqf h LYS 232 N 0.00 0.01 -0.67 5.31 3.64 -1.51 0.12 116.57 123.47 3kqf h LYS 232 Ca 0.00 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3kqf h LYS 232 Cb 0.00 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3kqf h LYS 232 CO 0.00 0.01 0.11 0.37 -2.27 0.00 0.00 179.45 177.67 3kqf h GLN 233 N 0.01 1.11 -0.92 1.90 5.75 -1.73 -2.76 115.11 118.47 3kqf h GLN 233 Ca 0.11 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.33 3kqf h GLN 233 Cb 0.17 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 3kqf h GLN 233 CO -0.23 1.01 0.61 0.00 -2.65 0.00 0.00 178.83 177.58 3kqf h ALA 234 N 1.05 1.18 -0.22 3.38 0.00 -1.70 -1.76 119.26 121.19 3kqf h ALA 234 Ca 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kqf h ALA 234 Cb 0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kqf h ALA 234 CO 0.01 0.55 0.10 -0.92 0.00 0.00 0.00 179.25 179.00 3kqf h TYR 235 N 1.24 0.30 0.00 0.00 3.20 -0.50 -0.08 116.97 121.13 3kqf h TYR 235 Ca 0.34 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 3kqf h TYR 235 Cb -0.13 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 3kqf h TYR 235 CO -0.01 0.23 -0.11 0.93 -1.64 0.00 0.00 178.16 177.56 3kqf h GLU 236 N 0.31 0.00 0.00 1.82 4.39 -1.11 -1.62 114.58 118.37 3kqf h GLU 236 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3kqf h GLU 236 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kqf h GLU 236 CO -0.01 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.36 3kqf n GLY 237 N -1.06 -1.29 0.03 -3.84 0.00 -0.04 -3.70 105.19 95.30 3kqf n GLY 237 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3kqf n GLY 237 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kqf n VAL 238 N -2.10 0.45 0.26 1.61 0.24 -0.64 -4.69 118.33 113.47 3kqf n VAL 238 Ca 0.03 -0.36 0.10 0.00 -2.04 0.00 0.00 64.34 62.06 3kqf n VAL 238 Cb 0.25 -0.41 0.69 0.00 -1.47 0.00 0.00 33.84 32.89 3kqf n VAL 238 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 3kqf h ILE 239 N 0.00 0.88 -0.18 1.34 3.07 -1.55 -2.54 117.51 118.52 3kqf h ILE 239 Ca -0.18 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.06 3kqf h ILE 239 Cb 1.24 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 3kqf h ILE 239 CO 0.01 0.05 0.00 1.57 -1.05 0.00 0.00 178.15 178.73 3kqf n HIS 240 N -4.26 0.21 -2.40 0.16 -0.00 -1.26 -4.96 115.22 102.71 3kqf n HIS 240 Ca -0.03 -0.10 -0.33 0.00 0.46 0.00 0.00 57.72 57.72 3kqf n HIS 240 Cb 0.13 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.98 3kqf n HIS 240 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 3kqf s THR 241 N -1.79 4.04 0.25 3.57 -4.23 -0.96 -4.96 115.64 111.56 3kqf s THR 241 Ca 0.34 1.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.99 3kqf s THR 241 Cb 0.21 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 3kqf s THR 241 CO 0.30 -0.42 1.61 0.11 -0.54 0.00 0.00 174.62 175.68 3kqf h LYS 242 N 1.14 0.34 -0.98 3.99 1.57 -1.56 -3.05 116.57 118.02 3kqf h LYS 242 Ca -0.48 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.14 3kqf h LYS 242 Cb 1.21 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 3kqf h LYS 242 CO 0.59 0.76 0.64 -0.44 -0.57 0.00 0.00 179.45 180.44 3kqf h ASP 243 N 0.27 1.06 -0.97 0.86 3.32 -1.93 -1.08 116.42 117.96 3kqf h ASP 243 Ca 0.01 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3kqf h ASP 243 Cb 0.97 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 3kqf h ASP 243 CO 0.08 0.72 0.64 -0.09 -1.72 0.00 0.00 179.24 178.88 3kqf h ARG 244 N 1.23 1.26 -0.50 3.56 2.43 -1.78 -0.34 114.38 120.25 3kqf h ARG 244 Ca 0.39 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3kqf h ARG 244 Cb 0.02 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 3kqf h ARG 244 CO -0.12 0.84 0.10 -0.07 -1.51 0.00 0.00 179.97 179.20 3kqf h LEU 245 N 1.30 0.77 -1.22 3.80 3.38 -1.36 -2.00 115.31 119.98 3kqf h LEU 245 Ca 0.36 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kqf h LEU 245 Cb -0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 3kqf h LEU 245 CO -0.08 0.83 0.46 -0.08 0.09 0.00 0.00 178.44 179.65 3kqf h GLU 246 N 0.69 0.99 -0.39 1.13 4.57 -0.69 -0.97 114.58 119.90 3kqf h GLU 246 Ca 0.15 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3kqf h GLU 246 Cb 0.37 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3kqf h GLU 246 CO 0.01 0.68 0.21 0.78 -1.18 0.00 0.00 179.01 179.50 3kqf h GLY 247 N 1.02 0.59 0.82 1.92 0.00 -0.65 0.67 103.07 107.45 3kqf h GLY 247 Ca 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3kqf h GLY 247 CO -0.05 0.27 0.02 1.41 0.00 0.00 0.00 176.54 178.18 3kqf h LEU 248 N 0.50 0.11 -0.60 3.11 3.38 -0.98 -1.51 115.31 119.32 3kqf h LEU 248 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kqf h LEU 248 Cb 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kqf h LEU 248 CO -0.02 0.29 0.26 -0.61 0.09 0.00 0.00 178.44 178.44 3kqf h GLN 249 N -0.07 0.89 -0.77 1.13 5.75 -1.11 -1.20 115.11 119.73 3kqf h GLN 249 Ca 0.02 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3kqf h GLN 249 Cb 0.22 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 3kqf h GLN 249 CO -0.00 0.74 0.45 0.00 -2.65 0.00 0.00 178.83 177.38 3kqf h ALA 250 N 1.10 0.98 -0.49 3.38 0.00 -0.79 0.91 119.26 124.34 3kqf h ALA 250 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kqf h ALA 250 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kqf h ALA 250 CO -0.02 0.45 0.09 0.35 0.00 0.00 0.00 179.25 180.12 3kqf h PHE 251 N 1.05 0.87 -0.57 0.00 3.57 -0.91 0.52 116.94 121.47 3kqf h PHE 251 Ca 0.27 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 3kqf h PHE 251 Cb -0.02 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3kqf h PHE 251 CO -0.01 0.79 0.11 -0.22 -2.23 0.00 0.00 178.31 176.75 3kqf h LYS 252 N 0.69 0.93 -0.11 1.11 3.64 -0.91 -2.66 116.57 119.25 3kqf h LYS 252 Ca 0.15 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3kqf h LYS 252 Cb 0.39 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3kqf h LYS 252 CO 0.01 0.88 0.00 0.39 -2.27 0.00 0.00 179.45 178.46 3kqf n GLU 253 N -4.35 1.45 -4.04 1.90 1.02 0.29 -4.95 120.64 111.96 3kqf n GLU 253 Ca 0.03 -0.68 -0.29 0.00 -0.02 0.00 0.00 57.16 56.19 3kqf n GLU 253 Cb 0.26 -1.34 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 3kqf n GLU 253 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kqf n LYS 254 N -0.08 -2.24 -4.30 3.49 5.02 0.09 -4.97 118.16 115.16 3kqf n LYS 254 Ca 0.15 0.30 -0.16 0.00 -2.02 0.00 0.00 58.31 56.57 3kqf n LYS 254 Cb 0.22 -4.08 -0.10 0.00 -0.02 0.00 0.00 35.03 31.05 3kqf n LYS 254 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3kqf s ARG 255 N -6.81 1.36 0.12 1.97 1.70 -0.67 -5.05 118.95 111.58 3kqf s ARG 255 Ca 0.08 -1.72 -0.30 0.00 -0.47 0.00 0.00 55.73 53.31 3kqf s ARG 255 Cb -0.03 -0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.03 3kqf s ARG 255 CO 0.92 -0.27 1.13 0.99 -1.08 0.00 0.00 175.30 176.99 3kqf s THR 256 N -3.75 3.98 0.00 4.99 2.01 -1.26 -4.51 115.64 117.11 3kqf s THR 256 Ca 0.36 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.93 3kqf s THR 256 Cb 0.07 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3kqf s THR 256 CO 0.12 0.21 0.00 -0.81 -0.69 0.00 0.00 174.62 173.45 3kqf n PRO 257 N 3.02 2.88 -3.61 4.92 -0.04 -1.26 -4.98 135.00 135.93 3kqf n PRO 257 Ca 0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 3kqf n PRO 257 Cb 0.46 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 3kqf n PRO 257 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kqf s TYR 259 N 0.00 -0.28 0.00 0.54 2.02 -1.26 -5.04 117.35 113.32 3kqf s TYR 259 Ca 0.00 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 3kqf s TYR 259 Cb 0.00 0.45 0.00 0.00 -0.40 0.00 0.00 41.96 42.01 3kqf s TYR 259 CO 0.00 -0.22 0.55 1.63 -1.57 0.00 0.00 175.55 175.93 3kqf n LYS 260 N 1.01 0.52 -2.58 -0.62 5.02 -1.26 -4.99 118.16 115.26 3kqf n LYS 260 Ca -0.08 -0.69 -0.06 0.00 -2.02 0.00 0.00 58.31 55.45 3kqf n LYS 260 Cb 0.58 -0.82 0.03 0.00 -0.02 0.00 0.00 35.03 34.80 3kqf n LYS 260 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqf n GLY 261 N -0.15 0.22 0.00 0.72 0.00 -1.26 -5.07 105.19 99.66 3kqf n GLY 261 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3kqf n GLY 261 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50