#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 0.49 0.00 3.23 1.13 -1.26 -4.72 117.38 116.25 3kqf n GLN 5 Ca 0.00 0.14 0.09 0.00 -1.94 0.00 0.00 57.00 55.29 3kqf n GLN 5 Cb 0.00 -1.36 -0.04 0.00 0.11 0.00 0.00 30.24 28.95 3kqf n GLN 5 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3kqf n ASN 6 N -3.36 1.49 -3.91 1.08 3.02 -1.26 -4.90 115.26 107.42 3kqf n ASN 6 Ca -0.38 -1.25 -0.11 0.00 -0.03 0.00 0.00 54.58 52.82 3kqf n ASN 6 Cb 0.86 0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 40.55 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 -2.33 0.05 0.03 2.41 -1.09 -1.26 -0.29 121.20 118.72 3kqf s ILE 7 Ca 0.13 -0.40 0.09 0.00 -2.23 0.00 0.00 60.65 58.23 3kqf s ILE 7 Cb 0.15 -0.14 -0.03 0.00 -1.58 0.00 0.00 42.46 40.86 3kqf s ILE 7 CO 0.56 -0.22 -0.25 -0.94 -1.23 0.00 0.00 174.94 172.86 3kqf s SER 8 N -0.65 3.25 0.04 3.58 1.04 -0.14 -2.05 113.70 118.77 3kqf s SER 8 Ca -0.07 -0.54 0.08 0.00 0.48 0.00 0.00 55.95 55.90 3kqf s SER 8 Cb -0.04 -0.35 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 3kqf s SER 8 CO -0.00 0.27 -0.22 -0.69 0.98 0.00 0.00 173.24 173.58 3kqf s VAL 9 N -0.79 1.78 -0.10 5.02 1.01 -1.26 -0.18 120.40 125.87 3kqf s VAL 9 Ca 0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 3kqf s VAL 9 Cb -0.10 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.79 3kqf s VAL 9 CO 0.02 0.25 0.10 -0.62 0.00 0.00 0.00 175.10 174.85 3kqf s ASP 10 N -1.18 1.46 -0.24 3.32 3.68 -0.35 -4.98 116.67 118.38 3kqf s ASP 10 Ca 0.08 -0.11 0.13 0.00 2.13 0.00 0.00 52.55 54.78 3kqf s ASP 10 Cb -0.09 -0.04 0.51 0.00 -1.45 0.00 0.00 42.92 41.85 3kqf s ASP 10 CO 0.02 -0.29 1.44 -1.22 0.13 0.00 0.00 175.17 175.25 3kqf n TYR 11 N 5.30 1.03 0.20 -5.34 4.01 -1.26 -0.85 117.16 120.24 3kqf n TYR 11 Ca -0.05 -1.26 0.03 0.00 -0.16 0.00 0.00 57.90 56.46 3kqf n TYR 11 Cb 0.50 -0.41 0.40 0.00 -0.31 0.00 0.00 39.34 39.51 3kqf n TYR 11 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqf h ALA 12 N 1.30 1.42 -2.66 -0.72 0.00 -1.95 -3.41 119.26 113.24 3kqf h ALA 12 Ca 0.13 -0.30 -0.59 0.00 0.00 0.00 0.00 54.91 54.15 3kqf h ALA 12 Cb 1.57 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 3kqf h ALA 12 CO 0.32 0.41 0.04 0.99 0.00 0.00 0.00 179.25 181.01 3kqf s THR 13 N -4.25 5.07 0.30 0.00 2.01 -1.26 -5.04 115.64 112.47 3kqf s THR 13 Ca -0.03 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 3kqf s THR 13 Cb 0.14 -3.91 -0.13 0.00 0.01 0.00 0.00 72.50 68.62 3kqf s THR 13 CO 0.71 0.17 1.37 -2.65 -0.69 0.00 0.00 174.62 173.53 3kqf n PRO 14 N 4.71 2.16 -0.65 4.92 -0.02 -1.26 -2.18 135.00 142.68 3kqf n PRO 14 Ca -0.03 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3kqf n PRO 14 Cb 0.50 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.13 0.00 -5.01 6.00 8.25 -1.26 -4.95 115.22 119.39 3kqf n HIS 15 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 3kqf n HIS 15 Cb 0.34 -1.40 -0.16 0.00 1.12 0.00 0.00 29.99 29.90 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 -1.33 1.67 -0.08 1.59 1.01 -0.93 0.09 120.40 122.42 3kqf s VAL 16 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3kqf s VAL 16 Cb 0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 3kqf s VAL 16 CO 0.00 0.47 -0.23 0.54 0.00 0.00 0.00 175.10 175.88 3kqf s VAL 17 N -0.09 1.94 -0.23 2.92 0.11 -0.79 -4.36 120.40 119.91 3kqf s VAL 17 Ca -0.03 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 58.02 3kqf s VAL 17 Cb -0.12 -1.66 -0.00 0.00 -1.53 0.00 0.00 36.38 33.06 3kqf s VAL 17 CO 0.02 0.54 -0.04 -0.75 -3.33 0.00 0.00 175.10 171.54 3kqf s LYS 18 N 0.16 3.30 -0.20 1.54 2.20 -0.03 -0.95 119.74 125.75 3kqf s LYS 18 Ca -0.12 -0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 54.74 3kqf s LYS 18 Cb -0.16 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3kqf s LYS 18 CO 0.06 -0.23 0.06 0.42 -0.36 0.00 0.00 175.35 175.30 3kqf s ILE 19 N 1.46 4.57 -0.12 5.43 1.01 0.70 -1.21 121.20 133.04 3kqf s ILE 19 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.63 3kqf s ILE 19 Cb -0.15 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 3kqf s ILE 19 CO -0.03 0.42 -0.22 -0.44 0.00 0.00 0.00 174.94 174.67 3kqf s SER 20 N 0.77 3.25 0.09 3.58 0.01 0.74 -1.21 113.70 120.94 3kqf s SER 20 Ca 0.03 -0.53 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 3kqf s SER 20 Cb -0.14 -1.45 -0.07 0.00 0.21 0.00 0.00 66.02 64.57 3kqf s SER 20 CO 0.02 0.14 1.34 -0.76 0.41 0.00 0.00 173.24 174.39 3kqf s LEU 21 N 0.47 4.37 -0.54 2.44 1.43 0.58 -0.97 118.68 126.46 3kqf s LEU 21 Ca -0.15 2.23 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 3kqf s LEU 21 Cb -0.17 -3.58 0.29 0.00 0.03 0.00 0.00 46.19 42.76 3kqf s LEU 21 CO 0.06 -0.61 0.77 -3.20 0.23 0.00 0.00 176.35 173.61 3kqf n ASN 22 N 4.04 2.98 -3.12 2.29 5.15 0.60 -0.87 115.26 126.33 3kqf n ASN 22 Ca 0.11 -3.34 -0.21 0.00 -0.60 0.00 0.00 54.58 50.54 3kqf n ASN 22 Cb 0.43 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 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 0.50 1.66 -0.33 1.20 1.74 -1.26 -4.56 116.66 115.61 3kqf n ARG 23 Ca 0.28 -3.83 0.06 0.00 -0.77 0.00 0.00 57.85 53.58 3kqf n ARG 23 Cb 0.46 -1.87 0.25 0.00 -1.02 0.00 0.00 32.46 30.28 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 3.01 0.97 -0.14 5.56 5.08 -1.88 0.30 114.58 127.50 3kqf h GLU 24 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3kqf h GLU 24 Cb 0.83 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3kqf h GLU 24 CO 0.60 0.64 -0.03 -0.09 -1.00 0.00 0.00 179.01 179.13 3kqf h ARG 25 N 1.00 0.20 -0.61 2.33 2.43 -1.98 -1.81 114.38 115.94 3kqf h ARG 25 Ca 0.44 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.38 3kqf h ARG 25 Cb 0.34 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 29.74 3kqf h ARG 25 CO -0.19 0.25 0.19 1.04 -1.51 0.00 0.00 179.97 179.75 3kqf n GLN 26 N -4.38 3.19 -3.02 0.20 3.00 -0.51 -4.94 117.38 110.92 3kqf n GLN 26 Ca -0.01 -3.06 -0.22 0.00 -0.01 0.00 0.00 57.00 53.70 3kqf n GLN 26 Cb 0.18 -2.09 0.02 0.00 0.00 0.00 0.00 30.24 28.35 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 -0.44 -0.96 -3.50 -1.58 0.00 -0.68 -2.12 120.51 111.22 3kqf n ALA 27 Ca 0.38 0.21 -0.26 0.00 0.00 0.00 0.00 53.44 53.77 3kqf n ALA 27 Cb 1.27 -3.29 0.02 0.00 0.00 0.00 0.00 19.45 17.44 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 -2.37 -4.70 -4.79 0.00 3.02 0.96 -1.58 115.26 105.80 3kqf n ASN 28 Ca -0.10 -0.52 -0.32 0.00 -0.03 0.00 0.00 54.58 53.62 3kqf n ASN 28 Cb 0.60 -3.80 0.05 0.00 -0.61 0.00 0.00 39.78 36.03 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 -2.94 5.14 -0.75 6.41 1.04 -0.90 -4.08 113.70 117.62 3kqf s SER 29 Ca 0.48 1.79 -0.22 0.00 0.48 0.00 0.00 55.95 58.49 3kqf s SER 29 Cb -0.24 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.44 3kqf s SER 29 CO 0.60 -1.61 1.03 -0.76 0.98 0.00 0.00 173.24 173.48 3kqf s LEU 30 N -5.34 4.52 0.47 2.42 1.43 0.61 -4.76 118.68 118.04 3kqf s LEU 30 Ca 0.62 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3kqf s LEU 30 Cb -0.16 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 3kqf s LEU 30 CO 0.49 -1.35 0.72 -0.94 0.23 0.00 0.00 176.35 175.50 3kqf s SER 31 N 3.73 5.86 0.21 2.29 1.04 -1.26 -2.55 113.70 123.02 3kqf s SER 31 Ca 0.26 0.45 -0.09 0.00 0.48 0.00 0.00 55.95 57.05 3kqf s SER 31 Cb -0.13 -1.68 0.23 0.00 0.10 0.00 0.00 66.02 64.54 3kqf s SER 31 CO 0.04 -0.73 1.83 -0.07 0.98 0.00 0.00 173.24 175.29 3kqf h LEU 32 N 0.29 0.67 -0.52 2.42 3.38 -1.98 -0.40 115.31 119.18 3kqf h LEU 32 Ca -0.46 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kqf h LEU 32 Cb 1.25 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3kqf h LEU 32 CO 0.59 0.45 0.32 0.00 0.09 0.00 0.00 178.44 179.89 3kqf h ALA 33 N 1.33 0.66 -0.54 1.53 0.00 -2.00 -1.24 119.26 119.01 3kqf h ALA 33 Ca 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3kqf h ALA 33 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kqf h ALA 33 CO -0.14 0.13 0.17 1.25 0.00 0.00 0.00 179.25 180.66 3kqf h LEU 34 N 0.70 0.78 -0.93 0.00 6.46 -1.81 -2.18 115.31 118.33 3kqf h LEU 34 Ca 0.19 -0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 3kqf h LEU 34 Cb -0.03 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 39.64 3kqf h LEU 34 CO -0.04 0.78 0.61 -0.07 -0.62 0.00 0.00 178.44 179.11 3kqf h LEU 35 N 0.74 1.05 -0.56 2.25 3.38 -0.67 -0.36 115.31 121.14 3kqf h LEU 35 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3kqf h LEU 35 Cb 0.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kqf h LEU 35 CO -0.01 0.75 0.23 -0.08 0.09 0.00 0.00 178.44 179.43 3kqf h GLU 36 N 1.24 0.84 -0.44 1.13 4.81 -0.98 0.11 114.58 121.29 3kqf h GLU 36 Ca 0.35 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3kqf h GLU 36 Cb -0.11 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 3kqf h GLU 36 CO -0.08 0.72 0.06 0.93 -0.73 0.00 0.00 179.01 179.90 3kqf h GLU 37 N 0.77 0.74 -0.30 1.92 5.08 -0.91 -2.11 114.58 119.76 3kqf h GLU 37 Ca 0.19 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kqf h GLU 37 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kqf h GLU 37 CO -0.02 0.77 0.09 1.25 -1.00 0.00 0.00 179.01 180.11 3kqf h LEU 38 N 0.60 0.44 -0.73 1.33 5.85 -0.78 -1.89 115.31 120.13 3kqf h LEU 38 Ca 0.13 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3kqf h LEU 38 Cb 0.40 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3kqf h LEU 38 CO 0.01 0.53 0.36 1.56 -0.34 0.00 0.00 178.44 180.56 3kqf h GLN 39 N 0.33 0.58 -0.67 1.25 4.20 -0.68 -0.56 115.11 119.56 3kqf h GLN 39 Ca 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3kqf h GLN 39 Cb 0.25 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3kqf h GLN 39 CO -0.00 0.38 0.35 -0.91 -0.67 0.00 0.00 178.83 177.98 3kqf h ASN 40 N 0.60 0.86 0.34 1.46 2.35 -1.05 -0.77 115.58 119.37 3kqf h ASN 40 Ca 0.37 -0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.85 3kqf h ASN 40 Cb 0.41 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3kqf h ASN 40 CO -0.29 0.73 -0.64 0.16 -1.65 0.00 0.00 177.43 175.75 3kqf h ILE 41 N 0.92 1.39 -0.50 2.81 -0.00 -0.70 -2.56 117.51 118.86 3kqf h ILE 41 Ca 0.23 -2.03 -0.07 0.00 -0.00 0.00 0.00 64.86 62.99 3kqf h ILE 41 Cb 0.08 2.03 -0.02 0.00 -0.00 0.00 0.00 36.82 38.91 3kqf h ILE 41 CO -0.03 0.60 0.02 -0.07 -0.00 0.00 0.00 178.15 178.67 3kqf h LEU 42 N 0.20 0.79 -0.54 0.16 3.38 -0.87 -0.65 115.31 117.79 3kqf h LEU 42 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kqf h LEU 42 Cb 1.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3kqf h LEU 42 CO 0.10 0.84 0.34 0.74 0.09 0.00 0.00 178.44 180.56 3kqf h THR 43 N 0.77 1.15 -0.04 0.22 2.02 -0.93 -1.14 112.91 114.96 3kqf h THR 43 Ca 0.15 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3kqf h THR 43 Cb 0.44 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3kqf h THR 43 CO 0.02 0.15 0.01 -0.61 0.37 0.00 0.00 175.52 175.46 3kqf h GLN 44 N 0.72 0.06 -0.59 6.66 4.15 -1.15 -3.14 115.11 121.83 3kqf h GLN 44 Ca 0.19 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3kqf h GLN 44 Cb -0.05 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3kqf h GLN 44 CO -0.04 0.24 0.31 0.82 -1.93 0.00 0.00 178.83 178.23 3kqf h ILE 45 N -0.12 1.18 -0.90 2.39 2.04 -0.98 -2.00 117.51 119.11 3kqf h ILE 45 Ca 0.01 -0.48 0.21 0.00 1.00 0.00 0.00 64.86 65.61 3kqf h ILE 45 Cb 0.20 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3kqf h ILE 45 CO -0.00 0.21 0.60 -1.13 0.00 0.00 0.00 178.15 177.83 3kqf h ASN 46 N 0.82 0.36 -0.30 1.72 -1.24 -1.15 -0.16 115.58 115.62 3kqf h ASN 46 Ca 0.21 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.26 3kqf h ASN 46 Cb 0.04 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3kqf h ASN 46 CO -0.03 0.14 0.00 -0.62 -1.29 0.00 0.00 177.43 175.62 3kqf n GLU 47 N -4.49 2.28 -2.88 6.67 -0.58 -0.76 -4.84 120.64 116.04 3kqf n GLU 47 Ca 0.19 -1.92 -0.43 0.00 -0.42 0.00 0.00 57.16 54.58 3kqf n GLU 47 Cb 0.74 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 30.09 3kqf n GLU 47 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kqf s GLU 48 N -1.62 3.11 0.37 3.49 2.02 -0.07 -4.88 118.70 121.12 3kqf s GLU 48 Ca 0.36 -0.85 0.08 0.00 0.02 0.00 0.00 54.97 54.58 3kqf s GLU 48 Cb 0.21 -4.22 0.71 0.00 0.10 0.00 0.00 34.13 30.93 3kqf s GLU 48 CO 0.30 -1.77 1.89 0.00 0.02 0.00 0.00 175.26 175.70 3kqf h ALA 49 N 9.51 1.44 0.00 5.21 0.00 -1.88 -2.68 119.26 130.86 3kqf h ALA 49 Ca -0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kqf h ALA 49 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kqf h ALA 49 CO 1.17 0.39 0.00 -1.71 0.00 0.00 0.00 179.25 179.10 3kqf n ASN 50 N -4.25 0.44 -4.60 0.00 5.15 -1.26 -4.68 115.26 106.06 3kqf n ASN 50 Ca -0.00 0.55 -0.41 0.00 -0.60 0.00 0.00 54.58 54.11 3kqf n ASN 50 Cb 0.28 -0.66 -0.06 0.00 -0.53 0.00 0.00 39.78 38.81 3kqf n ASN 50 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqf s THR 51 N -3.07 4.91 -0.11 -0.44 2.01 -1.01 -4.31 115.64 113.62 3kqf s THR 51 Ca 0.12 0.85 0.19 0.00 0.31 0.00 0.00 61.69 63.16 3kqf s THR 51 Cb 0.15 -4.03 -0.28 0.00 0.01 0.00 0.00 72.50 68.34 3kqf s THR 51 CO 0.54 -0.19 0.26 0.54 -0.69 0.00 0.00 174.62 175.08 3kqf n ARG 52 N 5.96 0.73 -3.77 4.92 1.74 0.11 -4.86 116.66 121.49 3kqf n ARG 52 Ca -0.00 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 56.85 3kqf n ARG 52 Cb 0.49 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.95 0.03 -0.04 1.55 1.01 -0.97 -4.12 120.40 114.90 3kqf s VAL 53 Ca -0.09 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3kqf s VAL 53 Cb 0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3kqf s VAL 53 CO 0.83 -0.12 -0.23 -0.69 0.00 0.00 0.00 175.10 174.89 3kqf s VAL 54 N -0.48 2.29 -0.11 2.92 1.01 -0.44 -1.89 120.40 123.71 3kqf s VAL 54 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3kqf s VAL 54 Cb -0.04 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3kqf s VAL 54 CO 0.02 0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 174.89 3kqf s ILE 55 N -0.47 2.66 -0.14 2.22 1.01 -0.13 -0.41 121.20 125.95 3kqf s ILE 55 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3kqf s ILE 55 Cb -0.11 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 3kqf s ILE 55 CO 0.01 0.55 -0.16 -0.22 0.00 0.00 0.00 174.94 175.11 3kqf s LEU 56 N 0.19 2.45 0.31 2.97 2.96 0.08 -0.22 118.68 127.43 3kqf s LEU 56 Ca -0.10 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 3kqf s LEU 56 Cb -0.16 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3kqf s LEU 56 CO 0.06 0.11 0.46 0.28 -1.32 0.00 0.00 176.35 175.94 3kqf s THR 57 N 0.68 0.00 0.08 3.68 -1.32 -0.35 -0.55 115.64 117.87 3kqf s THR 57 Ca -0.08 -1.56 0.07 0.00 -1.21 0.00 0.00 61.69 58.91 3kqf s THR 57 Cb -0.16 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 3kqf s THR 57 CO 0.02 0.00 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.47 3kqf s GLY 58 N -3.18 1.72 0.39 6.08 0.00 -1.26 -0.30 107.32 110.77 3kqf s GLY 58 Ca 0.29 -1.23 -0.25 0.00 0.00 0.00 0.00 44.72 43.53 3kqf s GLY 58 CO 0.17 -1.18 1.07 0.00 0.00 0.00 0.00 173.10 173.16 3kqf s ALA 59 N -1.11 3.13 0.00 3.20 0.00 -0.05 -4.82 121.76 122.10 3kqf s ALA 59 Ca 0.19 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3kqf s ALA 59 Cb -0.11 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3kqf s ALA 59 CO 0.10 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3kqf n GLY 60 N 0.48 -2.18 0.21 0.00 0.00 -1.26 -4.62 105.19 97.81 3kqf n GLY 60 Ca 0.04 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.33 3kqf n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kqf n GLU 61 N -0.10 -0.25 -0.11 1.61 2.13 -1.26 -4.72 120.64 117.94 3kqf n GLU 61 Ca 0.00 -0.81 -0.13 0.00 0.66 0.00 0.00 57.16 56.88 3kqf n GLU 61 Cb 0.00 -1.10 -0.14 0.00 0.27 0.00 0.00 31.44 30.47 3kqf n GLU 61 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3kqf n LYS 62 N 0.29 0.73 -3.82 5.31 5.02 -1.26 -4.63 118.16 119.80 3kqf n LYS 62 Ca 0.03 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 3kqf n LYS 62 Cb 0.13 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.49 -0.13 -0.13 7.82 0.00 -1.26 -1.12 121.76 124.46 3kqf s ALA 63 Ca -0.20 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 3kqf s ALA 63 Cb 0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 3kqf s ALA 63 CO 0.71 -0.06 0.16 0.35 0.00 0.00 0.00 175.76 176.92 3kqf h PHE 64 N 6.44 0.00 -0.96 0.00 3.57 -0.41 -3.39 116.94 122.19 3kqf h PHE 64 Ca -0.31 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.36 3kqf h PHE 64 Cb 1.18 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.70 3kqf h PHE 64 CO 0.43 0.38 0.11 0.00 -2.23 0.00 0.00 178.31 177.00 3kqf n ALA 66 N 5.19 2.30 0.00 0.00 0.00 -0.62 -1.89 120.51 125.49 3kqf n ALA 66 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3kqf n ALA 66 Cb 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.63 -0.79 3.75 0.00 0.00 -1.11 -4.45 105.19 103.22 3kqf n GLY 67 Ca 0.14 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.00 2.91 -0.31 4.61 0.00 -1.26 -0.28 121.76 125.43 3kqf s ALA 68 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 3kqf s ALA 68 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 3kqf s ALA 68 CO 0.00 -1.27 1.64 0.34 0.00 0.00 0.00 175.76 176.47 3kqf s ASP 69 N -0.91 6.18 0.34 0.00 3.68 -1.06 -4.64 116.67 120.26 3kqf s ASP 69 Ca 0.69 1.30 0.18 0.00 2.13 0.00 0.00 52.55 56.85 3kqf s ASP 69 Cb -0.40 -2.53 0.35 0.00 -1.45 0.00 0.00 42.92 38.89 3kqf s ASP 69 CO 0.48 -1.47 1.58 -0.07 0.13 0.00 0.00 175.17 175.81 3kqf h LEU 70 N 12.58 0.00 -0.14 -1.34 3.38 -1.93 0.42 115.31 128.28 3kqf h LEU 70 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3kqf h LEU 70 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3kqf h LEU 70 CO 1.03 0.39 0.01 0.50 0.09 0.00 0.00 178.44 180.46 3kqf h LYS 71 N 0.00 0.24 -0.35 1.13 1.63 -2.00 -1.21 116.57 116.01 3kqf h LYS 71 Ca -0.00 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 3kqf h LYS 71 Cb 1.15 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 3kqf h LYS 71 CO 0.05 0.44 -0.09 1.49 -3.45 0.00 0.00 179.45 177.89 3kqf h GLU 72 N -0.00 0.68 -0.72 1.90 4.81 -1.94 -3.13 114.58 116.17 3kqf h GLU 72 Ca 0.04 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3kqf h GLU 72 Cb 0.32 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3kqf h GLU 72 CO 0.00 0.85 0.46 -0.09 -0.73 0.00 0.00 179.01 179.50 3kqf h ARG 73 N 0.46 0.97 0.00 1.92 9.65 -0.88 -2.46 114.38 124.05 3kqf h ARG 73 Ca 0.09 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3kqf h ARG 73 Cb 0.60 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3kqf h ARG 73 CO 0.04 0.66 -0.02 0.00 2.80 0.00 0.00 179.97 183.45 3kqf h ALA 74 N 1.25 1.64 -1.02 2.80 0.00 -1.17 -3.46 119.26 119.30 3kqf h ALA 74 Ca 0.26 -0.02 -0.77 0.00 0.00 0.00 0.00 54.91 54.39 3kqf h ALA 74 Cb -0.08 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.54 3kqf h ALA 74 CO -0.05 0.02 1.86 0.41 0.00 0.00 0.00 179.25 181.49 3kqf n GLY 75 N -1.31 5.09 3.41 0.00 0.00 -0.93 -5.12 105.19 106.34 3kqf n GLY 75 Ca -0.03 -2.22 -0.20 0.00 0.00 0.00 0.00 46.02 43.57 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 0.08 2.03 0.28 1.61 2.20 -1.26 -5.11 114.94 114.76 3kqf s ASN 77 Ca 0.42 -1.44 0.02 0.00 -0.94 0.00 0.00 52.86 50.92 3kqf s ASN 77 Cb 0.12 0.12 0.59 0.00 -2.00 0.00 0.00 41.25 40.08 3kqf s ASN 77 CO -0.02 -0.72 1.80 -0.33 -2.94 0.00 0.00 177.10 174.89 3kqf h GLU 78 N 2.15 0.80 -0.60 3.55 5.08 -1.99 -0.30 114.58 123.26 3kqf h GLU 78 Ca -0.39 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 3kqf h GLU 78 Cb 1.25 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3kqf h GLU 78 CO 0.64 0.53 0.25 1.49 -1.00 0.00 0.00 179.01 180.91 3kqf h GLU 79 N 0.82 0.90 -0.34 2.33 4.81 -2.04 -2.01 114.58 119.04 3kqf h GLU 79 Ca 0.51 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.45 3kqf h GLU 79 Cb 0.65 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3kqf h GLU 79 CO -0.32 0.76 -0.32 1.96 -0.73 0.00 0.00 179.01 180.35 3kqf h GLN 80 N 0.83 0.75 -0.63 1.92 4.20 -1.79 -2.49 115.11 117.91 3kqf h GLN 80 Ca 0.20 -0.35 0.03 0.00 0.06 0.00 0.00 58.65 58.60 3kqf h GLN 80 Cb 0.19 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 3kqf h GLN 80 CO -0.02 0.97 0.38 0.28 -0.67 0.00 0.00 178.83 179.77 3kqf h VAL 81 N 0.63 1.06 -0.50 -0.54 2.07 -0.79 -0.06 116.25 118.13 3kqf h VAL 81 Ca 0.07 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3kqf h VAL 81 Cb 0.85 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3kqf h VAL 81 CO 0.07 0.13 0.28 0.03 0.02 0.00 0.00 177.57 178.11 3kqf h ARG 82 N 0.74 0.69 -0.57 1.57 3.08 -1.19 -0.94 114.38 117.77 3kqf h ARG 82 Ca 0.26 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3kqf h ARG 82 Cb 0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3kqf h ARG 82 CO -0.12 0.53 0.27 1.25 -1.07 0.00 0.00 179.97 180.83 3kqf h HIS 83 N 0.66 0.82 -0.14 3.04 2.76 -1.00 -0.78 115.15 120.51 3kqf h HIS 83 Ca 0.18 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3kqf h HIS 83 Cb 0.04 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 3kqf h HIS 83 CO -0.02 0.63 0.08 0.00 -1.30 0.00 0.00 177.93 177.32 3kqf h ALA 84 N 1.11 0.18 -0.62 5.26 0.00 -0.75 -2.62 119.26 121.81 3kqf h ALA 84 Ca 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kqf h ALA 84 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3kqf h ALA 84 CO -0.02 -0.29 0.23 0.28 0.00 0.00 0.00 179.25 179.44 3kqf h VAL 85 N 0.13 1.23 0.00 0.00 2.07 -1.10 -1.53 116.25 117.04 3kqf h VAL 85 Ca 0.05 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3kqf h VAL 85 Cb 0.07 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3kqf h VAL 85 CO -0.01 0.29 0.00 -0.24 0.02 0.00 0.00 177.57 177.63 3kqf n SER 86 N -4.30 0.00 0.00 0.57 2.88 -0.31 -1.02 113.62 111.44 3kqf n SER 86 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3kqf n SER 86 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.58 0.00 -0.18 2.46 5.41 -0.58 -1.45 119.36 125.61 3kqf n ILE 88 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 3kqf n ILE 88 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.01 3kqf n ILE 88 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3kqf h ARG 89 N 0.00 0.41 -0.68 0.38 3.08 -1.35 -2.25 114.38 113.98 3kqf h ARG 89 Ca 0.00 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3kqf h ARG 89 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3kqf h ARG 89 CO 0.00 0.27 0.17 1.15 -1.07 0.00 0.00 179.97 180.49 3kqf h THR 90 N 0.42 1.26 0.00 2.04 2.02 -1.50 -2.12 112.91 115.03 3kqf h THR 90 Ca 0.26 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3kqf h THR 90 Cb 0.26 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3kqf h THR 90 CO -0.24 0.36 0.00 0.41 0.37 0.00 0.00 175.52 176.42 3kqf n THR 91 N -4.24 0.14 -0.77 3.16 -1.04 -0.85 -4.70 114.28 105.98 3kqf n THR 91 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kqf n THR 91 Cb 0.25 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 0.82 -1.14 0.00 -2.82 1.02 -0.80 -4.67 120.64 113.05 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 0.08 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.50 0.00 -0.35 2.62 0.31 -1.26 -0.80 118.33 118.35 3kqf n VAL 95 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3kqf n VAL 95 Cb 0.09 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.22 3kqf n VAL 95 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kqf h GLU 96 N 0.00 1.09 -0.06 5.55 5.08 -1.83 -2.86 114.58 121.56 3kqf h GLU 96 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3kqf h GLU 96 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 3kqf h GLU 96 CO 0.00 0.72 0.00 1.04 -1.00 0.00 0.00 179.01 179.77 3kqf n GLN 97 N -4.51 1.64 -1.75 2.33 6.02 0.02 -4.91 117.38 116.23 3kqf n GLN 97 Ca 0.15 -0.94 -0.40 0.00 -0.01 0.00 0.00 57.00 55.81 3kqf n GLN 97 Cb 0.21 -1.45 0.02 0.00 1.02 0.00 0.00 30.24 30.03 3kqf n GLN 97 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kqf n LEU 98 N 0.14 4.78 0.23 1.08 4.77 -1.08 -4.88 117.00 122.04 3kqf n LEU 98 Ca 0.18 1.12 0.06 0.00 -0.03 0.00 0.00 56.01 57.35 3kqf n LEU 98 Cb 0.33 -1.57 0.53 0.00 -2.33 0.00 0.00 43.42 40.37 3kqf n LEU 98 CO 0.15 -0.28 0.93 -0.65 -1.33 0.00 0.00 177.39 176.21 3kqf h PRO 99 N 2.27 0.00 -6.65 3.23 0.10 -1.91 -3.43 132.00 125.62 3kqf h PRO 99 Ca -0.50 0.00 -0.50 0.00 0.10 0.00 0.00 66.00 65.10 3kqf h PRO 99 Cb 1.27 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.35 3kqf h PRO 99 CO 0.61 0.15 0.05 -0.65 0.10 0.00 0.00 178.00 178.26 3kqf s GLN 100 N -4.70 3.99 0.36 1.05 1.11 -1.26 -4.58 119.66 115.63 3kqf s GLN 100 Ca -0.04 0.61 -0.28 0.00 0.01 0.00 0.00 55.36 55.66 3kqf s GLN 100 Cb 0.16 -2.53 -0.12 0.00 -1.01 0.00 0.00 33.01 29.51 3kqf s GLN 100 CO 0.69 0.22 1.39 -2.30 0.01 0.00 0.00 175.29 175.30 3kqf n PRO 101 N -0.18 2.39 -4.58 2.91 -0.02 -1.26 -4.82 135.00 129.44 3kqf n PRO 101 Ca 0.02 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 3kqf n PRO 101 Cb 0.53 -2.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 3kqf n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kqf s VAL 102 N -1.11 2.30 -0.25 -1.45 1.01 -1.26 -1.33 120.40 118.32 3kqf s VAL 102 Ca 0.54 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 3kqf s VAL 102 Cb -0.52 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3kqf s VAL 102 CO 0.63 0.53 0.08 -0.63 0.00 0.00 0.00 175.10 175.72 3kqf s ILE 103 N 0.85 4.48 -0.21 2.22 1.01 0.45 -0.54 121.20 129.46 3kqf s ILE 103 Ca -0.06 -0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 3kqf s ILE 103 Cb -0.15 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 3kqf s ILE 103 CO -0.02 0.34 0.91 0.00 0.00 0.00 0.00 174.94 176.18 3kqf s ALA 104 N 1.50 3.61 -0.50 9.38 0.00 -0.37 -0.74 121.76 134.63 3kqf s ALA 104 Ca 0.06 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 3kqf s ALA 104 Cb -0.15 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.73 3kqf s ALA 104 CO 0.04 -0.88 0.39 0.00 0.00 0.00 0.00 175.76 175.32 3kqf s ALA 105 N 2.73 3.47 -0.72 0.00 0.00 0.29 -1.06 121.76 126.47 3kqf s ALA 105 Ca 0.40 -2.60 -0.22 0.00 0.00 0.00 0.00 51.96 49.53 3kqf s ALA 105 Cb -0.16 -2.92 0.08 0.00 0.00 0.00 0.00 23.12 20.12 3kqf s ALA 105 CO 0.09 -1.95 1.02 0.42 0.00 0.00 0.00 175.76 175.34 3kqf s ILE 106 N 1.29 4.33 -0.99 0.00 1.01 -0.05 -4.31 121.20 122.49 3kqf s ILE 106 Ca 0.06 -0.51 0.27 0.00 0.00 0.00 0.00 60.65 60.47 3kqf s ILE 106 Cb -0.26 -4.73 0.10 0.00 0.01 0.00 0.00 42.46 37.59 3kqf s ILE 106 CO -0.01 -1.51 1.62 -0.46 0.00 0.00 0.00 174.94 174.59 3kqf n ASN 107 N 7.68 0.31 0.00 3.58 6.94 -1.26 -1.15 115.26 131.36 3kqf n ASN 107 Ca 0.02 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 3kqf n ASN 107 Cb 0.46 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 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 1.49 2.28 3.77 4.83 0.00 -1.26 -4.55 105.19 111.75 3kqf n GLY 108 Ca 0.06 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3kqf n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kqf s ILE 109 N -0.29 2.21 -0.35 -0.61 -4.36 -0.27 -3.61 121.20 113.91 3kqf s ILE 109 Ca 0.00 0.20 -0.00 0.00 -0.26 0.00 0.00 60.65 60.59 3kqf s ILE 109 Cb 0.00 -3.13 0.13 0.00 1.25 0.00 0.00 42.46 40.71 3kqf s ILE 109 CO 0.00 0.05 0.19 0.00 0.24 0.00 0.00 174.94 175.42 3kqf s ALA 110 N -0.99 1.05 0.03 2.27 0.00 -0.28 0.18 121.76 124.02 3kqf s ALA 110 Ca 0.53 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.76 3kqf s ALA 110 Cb -0.45 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 3kqf s ALA 110 CO 0.59 -2.01 -0.23 -0.51 0.00 0.00 0.00 175.76 173.61 3kqf s LEU 111 N 1.18 2.34 0.00 0.00 1.43 -0.79 -2.85 118.68 119.99 3kqf s LEU 111 Ca 0.16 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3kqf s LEU 111 Cb -0.22 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3kqf s LEU 111 CO -0.07 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.39 3kqf n GLY 112 N 1.82 3.88 0.43 -3.19 0.00 0.12 -0.64 105.19 107.61 3kqf n GLY 112 Ca -0.17 0.20 0.24 0.00 0.00 0.00 0.00 46.02 46.29 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 0.95 -0.02 0.00 -1.88 0.17 103.07 102.29 3kqf h GLY 113 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3kqf h GLY 113 CO 0.00 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.09 3kqf h GLY 114 N 0.00 0.77 1.26 4.60 0.00 -0.99 0.19 103.07 108.90 3kqf h GLY 114 Ca 0.30 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 3kqf h GLY 114 CO -0.00 0.60 -0.42 -0.84 0.00 0.00 0.00 176.54 175.87 3kqf h THR 115 N 0.50 1.28 -0.75 4.70 2.02 -1.12 -2.40 112.91 117.14 3kqf h THR 115 Ca 0.09 -1.61 0.02 0.00 0.77 0.00 0.00 66.41 65.68 3kqf h THR 115 Cb 0.64 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3kqf h THR 115 CO 0.04 0.52 0.48 -0.33 0.37 0.00 0.00 175.52 176.61 3kqf h GLU 116 N 0.65 0.94 -0.51 6.66 5.08 -0.95 0.57 114.58 127.01 3kqf h GLU 116 Ca 0.05 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kqf h GLU 116 Cb 0.99 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3kqf h GLU 116 CO 0.09 0.62 0.32 1.25 -1.00 0.00 0.00 179.01 180.29 3kqf h LEU 117 N 0.97 0.61 -1.33 1.33 5.85 -0.56 -2.13 115.31 120.04 3kqf h LEU 117 Ca 0.29 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3kqf h LEU 117 Cb -0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3kqf h LEU 117 CO -0.09 0.47 0.14 0.77 -0.34 0.00 0.00 178.44 179.40 3kqf h SER 118 N 0.69 0.54 0.53 1.25 4.64 -0.80 -2.34 113.55 118.06 3kqf h SER 118 Ca 0.18 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3kqf h SER 118 Cb -0.03 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3kqf h SER 118 CO -0.04 0.51 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.97 3kqf h LEU 119 N 0.59 0.00 -0.48 5.97 3.38 -0.47 -2.34 115.31 121.96 3kqf h LEU 119 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kqf h LEU 119 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kqf h LEU 119 CO -0.01 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3kqf n ALA 120 N -2.40 1.87 -2.07 1.53 0.00 -0.84 -4.77 120.51 113.83 3kqf n ALA 120 Ca -0.01 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 3kqf n ALA 120 Cb 0.45 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 3kqf n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqf h ASP 122 N 0.20 0.36 -5.16 0.00 3.32 -1.11 -3.46 116.42 110.57 3kqf h ASP 122 Ca -0.46 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 3kqf h ASP 122 Cb 1.19 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.56 3kqf h ASP 122 CO 0.62 0.29 -0.04 0.72 -1.72 0.00 0.00 179.24 179.11 3kqf s PHE 123 N -6.04 0.14 -0.03 4.55 -0.12 -1.19 -5.03 117.98 110.26 3kqf s PHE 123 Ca -0.13 -0.51 0.03 0.00 -0.05 0.00 0.00 56.93 56.27 3kqf s PHE 123 Cb 0.09 0.30 -0.00 0.00 -0.63 0.00 0.00 43.02 42.78 3kqf s PHE 123 CO 0.71 -0.98 -0.13 1.03 -0.05 0.00 0.00 175.22 175.81 3kqf s ARG 124 N -3.96 1.29 -0.11 1.99 0.52 -1.26 -1.24 118.95 116.19 3kqf s ARG 124 Ca 0.16 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 3kqf s ARG 124 Cb -0.01 -1.17 0.02 0.00 0.52 0.00 0.00 34.95 34.31 3kqf s ARG 124 CO 0.04 0.19 -0.13 -1.50 0.02 0.00 0.00 175.30 173.92 3kqf s ILE 125 N 0.06 1.36 0.11 1.52 2.07 -0.23 -1.41 121.20 124.69 3kqf s ILE 125 Ca -0.02 -0.54 0.10 0.00 -1.41 0.00 0.00 60.65 58.77 3kqf s ILE 125 Cb -0.09 -1.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.19 3kqf s ILE 125 CO 0.01 0.42 -0.23 0.00 -1.91 0.00 0.00 174.94 173.22 3kqf s ALA 126 N 1.16 2.49 0.46 1.50 0.00 -0.04 -0.87 121.76 126.46 3kqf s ALA 126 Ca -0.04 -1.40 -0.22 0.00 0.00 0.00 0.00 51.96 50.30 3kqf s ALA 126 Cb -0.14 -0.50 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 3kqf s ALA 126 CO -0.04 0.56 1.10 0.00 0.00 0.00 0.00 175.76 177.38 3kqf s ALA 127 N -1.06 2.94 0.44 0.00 0.00 -0.30 -1.31 121.76 122.47 3kqf s ALA 127 Ca 0.15 0.78 0.17 0.00 0.00 0.00 0.00 51.96 53.07 3kqf s ALA 127 Cb -0.10 -3.32 1.10 0.00 0.00 0.00 0.00 23.12 20.80 3kqf s ALA 127 CO 0.07 -0.48 1.93 0.93 0.00 0.00 0.00 175.76 178.21 3kqf h GLU 128 N 1.93 0.35 -0.00 0.00 4.39 -0.97 -1.83 114.58 118.45 3kqf h GLU 128 Ca -0.49 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3kqf h GLU 128 Cb 1.23 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3kqf h GLU 128 CO 0.60 0.23 -0.11 -1.13 -1.16 0.00 0.00 179.01 177.44 3kqf n SER 129 N -4.46 0.25 -4.76 1.42 3.41 -1.26 -4.31 113.62 103.91 3kqf n SER 129 Ca 0.14 -0.15 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 3kqf n SER 129 Cb 0.55 -0.19 0.08 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.71 2.28 0.00 7.33 0.00 -0.69 -4.84 121.76 123.13 3kqf s ALA 130 Ca 0.22 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.72 3kqf s ALA 130 Cb 0.19 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3kqf s ALA 130 CO 0.52 -1.62 -0.05 -1.54 0.00 0.00 0.00 175.76 173.06 3kqf s SER 131 N -2.75 0.63 0.30 0.00 1.04 -1.24 -2.32 113.70 109.37 3kqf s SER 131 Ca 0.66 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.96 3kqf s SER 131 Cb -0.21 -0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.80 3kqf s SER 131 CO 0.48 0.01 0.02 -0.76 0.98 0.00 0.00 173.24 173.97 3kqf s LEU 132 N -0.38 2.27 0.00 2.42 1.02 0.82 -1.13 118.68 123.70 3kqf s LEU 132 Ca -0.00 -1.31 0.00 0.00 0.02 0.00 0.00 54.13 52.84 3kqf s LEU 132 Cb -0.03 -0.44 0.00 0.00 0.02 0.00 0.00 46.19 45.74 3kqf s LEU 132 CO -0.00 -0.52 0.00 0.61 0.02 0.00 0.00 176.35 176.46 3kqf n GLY 133 N -0.62 3.31 3.11 -3.19 0.00 -1.13 0.42 105.19 107.08 3kqf n GLY 133 Ca -0.04 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 5.33 0.00 0.99 1.43 -1.26 -0.70 118.68 124.46 3kqf s LEU 134 Ca 0.00 -2.78 0.21 0.00 -1.03 0.00 0.00 54.13 50.53 3kqf s LEU 134 Cb 0.00 -1.87 0.98 0.00 0.03 0.00 0.00 46.19 45.33 3kqf s LEU 134 CO 0.00 -0.40 1.67 0.35 0.23 0.00 0.00 176.35 178.20 3kqf n THR 135 N 3.60 0.09 -0.24 5.49 -2.24 -1.26 -4.20 114.28 115.52 3kqf n THR 135 Ca 0.07 -0.17 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 3kqf n THR 135 Cb 0.39 0.04 0.14 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.12 0.10 0.00 -0.78 3.07 -1.89 -1.36 114.58 114.85 3kqf h GLU 136 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3kqf h GLU 136 Cb 0.24 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3kqf h GLU 136 CO 0.00 0.07 -0.07 1.79 -1.40 0.00 0.00 179.01 179.40 3kqf h THR 137 N 0.11 0.56 0.00 1.13 1.35 -1.71 0.44 112.91 114.79 3kqf h THR 137 Ca 0.39 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.91 3kqf h THR 137 Cb 0.67 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3kqf h THR 137 CO -0.63 0.07 -0.09 0.71 -0.25 0.00 0.00 175.52 175.33 3kqf h THR 138 N 0.00 0.38 -0.68 6.82 1.35 -1.53 -1.68 112.91 117.57 3kqf h THR 138 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3kqf h THR 138 Cb 0.20 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3kqf h THR 138 CO 0.01 0.08 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 3kqf n LEU 139 N -3.45 3.86 -1.64 3.87 4.77 0.10 -4.97 117.00 119.55 3kqf n LEU 139 Ca -0.01 -2.03 -0.15 0.00 -0.03 0.00 0.00 56.01 53.79 3kqf n LEU 139 Cb 0.23 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3kqf n LEU 139 CO 0.28 0.94 -0.19 0.00 -1.33 0.00 0.00 177.39 177.10 3kqf n ALA 140 N 1.45 -0.42 -4.55 -1.18 0.00 -0.63 -5.02 120.51 110.16 3kqf n ALA 140 Ca 0.23 0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.51 3kqf n ALA 140 Cb 0.61 -1.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 -3.89 0.00 -4.42 0.00 -5.35 -0.94 -4.99 119.36 99.76 3kqf n ILE 141 Ca -0.17 -2.34 -0.21 0.00 -0.27 0.00 0.00 62.75 59.75 3kqf n ILE 141 Cb 0.62 0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 39.14 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 -2.97 1.74 0.16 7.28 -4.36 -1.26 -2.48 121.20 119.31 3kqf s ILE 142 Ca 0.14 -2.17 -0.31 0.00 -0.26 0.00 0.00 60.65 58.05 3kqf s ILE 142 Cb 0.01 -2.35 -0.11 0.00 1.25 0.00 0.00 42.46 41.25 3kqf s ILE 142 CO 0.10 -0.37 1.77 -2.84 0.24 0.00 0.00 174.94 173.83 3kqf s PRO 143 N -3.69 4.14 0.00 0.37 0.02 -1.26 -4.86 135.00 129.72 3kqf s PRO 143 Ca 0.28 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.91 3kqf s PRO 143 Cb 0.02 -3.34 0.05 0.00 0.02 0.00 0.00 34.50 31.25 3kqf s PRO 143 CO 0.11 -0.79 0.97 0.41 -0.33 0.00 0.00 177.00 177.37 3kqf n GLY 144 N 4.09 2.26 2.15 0.52 0.00 -1.26 -4.46 105.19 108.49 3kqf n GLY 144 Ca 0.17 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.24 4.52 -0.03 4.61 0.00 -1.26 -4.73 120.51 123.39 3kqf n ALA 145 Ca 0.02 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.88 3kqf n ALA 145 Cb 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.69 0.47 0.36 0.00 0.00 -1.26 -4.84 105.19 99.22 3kqf n GLY 146 Ca 0.36 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.49 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 1.66 2.00 -0.02 0.00 -1.92 0.33 103.07 105.12 3kqf h GLY 147 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3kqf h GLY 147 CO 0.00 0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.30 3kqf n THR 148 N -4.67 0.71 -0.08 4.70 -2.24 -1.26 -2.66 114.28 108.77 3kqf n THR 148 Ca 0.21 0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.89 3kqf n THR 148 Cb 0.47 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 3kqf n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kqf n GLN 149 N -2.01 0.35 0.12 -0.78 1.13 -0.22 -4.50 117.38 111.46 3kqf n GLN 149 Ca 0.04 0.15 -0.03 0.00 -1.94 0.00 0.00 57.00 55.23 3kqf n GLN 149 Cb 0.28 -1.09 0.14 0.00 0.11 0.00 0.00 30.24 29.68 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 -0.58 0.05 0.32 -1.09 3.08 -0.57 -3.06 114.38 112.53 3kqf h ARG 150 Ca -0.42 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 3kqf h ARG 150 Cb 1.37 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3kqf h ARG 150 CO -0.25 0.68 -0.16 1.25 -1.07 0.00 0.00 179.97 180.42 3kqf h LEU 151 N 0.04 -0.37 -1.63 3.04 5.85 -1.68 -2.53 115.31 118.04 3kqf h LEU 151 Ca -0.01 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3kqf h LEU 151 Cb 1.15 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3kqf h LEU 151 CO 0.09 -0.01 -0.07 1.55 -0.34 0.00 0.00 178.44 179.66 3kqf h PRO 152 N -0.77 0.15 -0.55 5.25 0.13 -1.78 -1.07 132.00 133.36 3kqf h PRO 152 Ca -0.04 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3kqf h PRO 152 Cb 0.51 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 3kqf h PRO 152 CO 0.07 0.23 0.29 0.00 -0.23 0.00 0.00 178.00 178.36 3kqf h ARG 153 N 0.15 0.76 0.14 0.86 3.08 -1.46 -0.13 114.38 117.78 3kqf h ARG 153 Ca 0.03 -0.08 -0.28 0.00 0.07 0.00 0.00 59.98 59.72 3kqf h ARG 153 Cb 0.23 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.13 3kqf h ARG 153 CO 0.01 0.57 -1.39 1.25 -1.07 0.00 0.00 179.97 179.35 3kqf h LEU 154 N 0.76 0.47 -1.72 3.04 5.85 -0.96 -3.41 115.31 119.34 3kqf h LEU 154 Ca 0.19 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 58.02 3kqf h LEU 154 Cb 0.05 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kqf h LEU 154 CO -0.03 1.62 0.00 2.30 -0.34 0.00 0.00 178.44 181.99 3kqf n ILE 155 N -3.88 0.29 0.00 4.05 -5.35 -0.46 -4.91 119.36 109.09 3kqf n ILE 155 Ca -0.23 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 3kqf n ILE 155 Cb 0.93 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 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 0.25 0.87 0.26 3.28 0.00 -0.06 -4.55 105.19 105.24 3kqf n GLY 156 Ca 0.04 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 1.28 0.09 1.61 3.04 -1.92 -2.43 116.25 117.92 3kqf h VAL 157 Ca 0.00 -1.52 -0.00 0.00 -1.01 0.00 0.00 66.70 64.17 3kqf h VAL 157 Cb 0.00 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3kqf h VAL 157 CO 0.00 0.50 -0.05 1.23 -1.01 0.00 0.00 177.57 178.24 3kqf h GLY 158 N 0.88 -0.14 0.99 3.17 0.00 -1.95 -0.35 103.07 105.68 3kqf h GLY 158 Ca 0.07 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 3kqf h GLY 158 CO 0.08 -0.06 -0.03 -0.09 0.00 0.00 0.00 176.54 176.45 3kqf h ARG 159 N -0.14 0.82 -0.82 4.80 9.65 -1.80 -1.99 114.38 124.91 3kqf h ARG 159 Ca -0.01 -0.28 0.03 0.00 -1.10 0.00 0.00 59.98 58.62 3kqf h ARG 159 Cb 0.11 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 3kqf h ARG 159 CO 0.01 0.90 0.53 0.00 2.80 0.00 0.00 179.97 184.21 3kqf h ALA 160 N 0.90 1.08 -0.13 2.80 0.00 -1.29 -1.69 119.26 120.93 3kqf h ALA 160 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kqf h ALA 160 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kqf h ALA 160 CO 0.03 0.36 0.06 0.87 0.00 0.00 0.00 179.25 180.57 3kqf h LYS 161 N 1.03 0.18 -0.27 0.00 1.57 -0.91 -0.07 116.57 118.12 3kqf h LYS 161 Ca 0.33 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 3kqf h LYS 161 Cb -0.00 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3kqf h LYS 161 CO -0.11 0.25 0.00 1.49 -0.57 0.00 0.00 179.45 180.52 3kqf h GLU 162 N 0.07 0.08 -0.42 3.15 4.22 -1.12 0.25 114.58 120.81 3kqf h GLU 162 Ca 0.04 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.43 3kqf h GLU 162 Cb 0.13 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kqf h GLU 162 CO -0.01 0.05 0.08 -0.07 -2.18 0.00 0.00 179.01 176.88 3kqf h LEU 163 N 0.08 0.66 -0.23 1.64 3.38 -1.23 -1.58 115.31 118.03 3kqf h LEU 163 Ca 0.13 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 3kqf h LEU 163 Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kqf h LEU 163 CO -0.21 0.74 -0.53 0.40 0.09 0.00 0.00 178.44 178.93 3kqf h ILE 164 N 0.54 1.30 -0.41 1.22 2.04 -0.84 -0.55 117.51 120.81 3kqf h ILE 164 Ca 0.13 -1.74 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 3kqf h ILE 164 Cb 0.36 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3kqf h ILE 164 CO 0.01 0.55 -0.04 1.88 0.00 0.00 0.00 178.15 180.55 3kqf h TYR 165 N 0.49 0.84 0.00 1.37 0.05 -0.50 -3.11 116.97 116.11 3kqf h TYR 165 Ca -0.00 -0.16 -0.17 0.00 0.05 0.00 0.00 58.73 58.45 3kqf h TYR 165 Cb 1.14 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 3kqf h TYR 165 CO 0.08 0.85 -0.81 1.79 -1.05 0.00 0.00 178.16 179.03 3kqf h THR 166 N 0.58 1.57 -1.62 -2.88 1.35 -1.36 -3.47 112.91 107.08 3kqf h THR 166 Ca 0.11 -2.74 -0.31 0.00 -0.55 0.00 0.00 66.41 62.93 3kqf h THR 166 Cb 0.55 2.48 -0.06 0.00 -1.73 0.00 0.00 68.15 69.39 3kqf h THR 166 CO 0.03 0.78 -0.35 0.61 -0.25 0.00 0.00 175.52 176.34 3kqf n GLY 167 N 0.78 0.45 3.85 5.82 0.00 -0.22 -4.79 105.19 111.08 3kqf n GLY 167 Ca -0.01 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.19 3.95 0.05 1.61 1.70 -1.22 -4.30 118.95 116.55 3kqf s ARG 168 Ca 0.00 0.86 -0.15 0.00 -0.47 0.00 0.00 55.73 55.97 3kqf s ARG 168 Cb 0.00 -2.21 -0.06 0.00 -0.57 0.00 0.00 34.95 32.11 3kqf s ARG 168 CO 0.00 -0.17 0.46 1.03 -1.08 0.00 0.00 175.30 175.55 3kqf s ARG 169 N -3.85 3.97 0.15 3.89 0.52 -1.26 -4.35 118.95 118.02 3kqf s ARG 169 Ca 0.57 0.46 0.08 0.00 -0.52 0.00 0.00 55.73 56.32 3kqf s ARG 169 Cb -0.10 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 3kqf s ARG 169 CO 0.28 0.63 -0.17 0.96 0.02 0.00 0.00 175.30 177.02 3kqf s ILE 170 N -1.19 1.66 0.71 1.52 -4.36 0.17 -4.95 121.20 114.74 3kqf s ILE 170 Ca 0.28 -1.87 -0.10 0.00 -0.26 0.00 0.00 60.65 58.71 3kqf s ILE 170 Cb -0.17 -1.75 0.04 0.00 1.25 0.00 0.00 42.46 41.83 3kqf s ILE 170 CO 0.16 -0.36 1.06 -0.94 0.24 0.00 0.00 174.94 175.11 3kqf s SER 171 N -2.62 5.11 0.25 4.36 1.04 -1.26 -0.13 113.70 120.44 3kqf s SER 171 Ca 0.14 0.83 -0.06 0.00 0.48 0.00 0.00 55.95 57.33 3kqf s SER 171 Cb -0.05 -1.55 0.25 0.00 0.10 0.00 0.00 66.02 64.77 3kqf s SER 171 CO 0.05 -1.48 1.91 0.00 0.98 0.00 0.00 173.24 174.70 3kqf h ALA 172 N -0.65 1.25 -0.64 5.32 0.00 -1.65 -0.37 119.26 122.52 3kqf h ALA 172 Ca -0.45 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 3kqf h ALA 172 Cb 1.29 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kqf h ALA 172 CO 0.63 0.67 0.07 1.96 0.00 0.00 0.00 179.25 182.57 3kqf h GLN 173 N 1.33 1.08 -0.42 0.00 1.08 -1.89 -0.42 115.11 115.87 3kqf h GLN 173 Ca 0.35 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3kqf h GLN 173 Cb -0.09 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 3kqf h GLN 173 CO -0.07 1.02 0.19 0.93 -0.95 0.00 0.00 178.83 179.95 3kqf h GLU 174 N 0.99 0.62 -0.98 1.46 5.08 -1.80 -1.33 114.58 118.62 3kqf h GLU 174 Ca 0.19 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3kqf h GLU 174 Cb 0.48 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 3kqf h GLU 174 CO 0.02 0.55 0.63 0.00 -1.00 0.00 0.00 179.01 179.21 3kqf h ALA 175 N 1.04 1.45 -0.40 3.43 0.00 -0.76 -1.05 119.26 122.98 3kqf h ALA 175 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kqf h ALA 175 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kqf h ALA 175 CO -0.02 0.40 -0.05 -0.22 0.00 0.00 0.00 179.25 179.36 3kqf h LYS 176 N 1.12 0.73 -0.37 0.00 3.64 -0.67 0.17 116.57 121.19 3kqf h LYS 176 Ca 0.43 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3kqf h LYS 176 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3kqf h LYS 176 CO -0.17 0.85 0.17 0.93 -2.27 0.00 0.00 179.45 178.95 3kqf h GLU 177 N 0.55 0.51 0.00 1.90 5.08 -0.48 -2.48 114.58 119.66 3kqf h GLU 177 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kqf h GLU 177 Cb 0.55 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3kqf h GLU 177 CO 0.03 0.41 -0.43 0.66 -1.00 0.00 0.00 179.01 178.69 3kqf n TYR 178 N -4.41 0.12 -0.65 4.33 4.01 -0.47 -4.95 117.16 115.13 3kqf n TYR 178 Ca 0.02 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3kqf n TYR 178 Cb 0.13 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 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 1.47 0.65 0.16 2.72 0.00 -0.72 -4.74 105.19 104.73 3kqf n GLY 179 Ca 0.05 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 0.61 -8.42 0.99 5.85 -1.25 -3.44 115.31 109.65 3kqf h LEU 180 Ca 0.00 -0.51 -0.66 0.00 0.84 0.00 0.00 57.88 57.55 3kqf h LEU 180 Cb 0.00 -0.19 -0.31 0.00 0.37 0.00 0.00 40.66 40.53 3kqf h LEU 180 CO 0.00 1.31 -0.87 0.68 -0.34 0.00 0.00 178.44 179.22 3kqf s VAL 181 N -3.22 1.91 0.11 1.05 -7.23 -1.09 -4.80 120.40 107.13 3kqf s VAL 181 Ca -0.07 -0.99 0.06 0.00 -1.81 0.00 0.00 61.98 59.18 3kqf s VAL 181 Cb 0.08 -1.62 -0.22 0.00 0.56 0.00 0.00 36.38 35.18 3kqf s VAL 181 CO 0.88 0.53 1.24 -0.33 -0.31 0.00 0.00 175.10 177.12 3kqf h GLU 182 N 6.12 0.03 -3.90 4.82 3.07 -1.53 -3.38 114.58 119.81 3kqf h GLU 182 Ca -0.32 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.29 3kqf h GLU 182 Cb 1.18 0.02 -0.24 0.00 -0.84 0.00 0.00 28.75 28.86 3kqf h GLU 182 CO 0.47 1.00 -0.71 -0.06 -1.40 0.00 0.00 179.01 178.31 3kqf s PHE 183 N -2.70 0.16 -0.05 4.33 0.08 -1.04 -5.04 117.98 113.73 3kqf s PHE 183 Ca 0.00 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.80 3kqf s PHE 183 Cb 0.10 -0.11 0.01 0.00 -0.57 0.00 0.00 43.02 42.44 3kqf s PHE 183 CO 0.83 -0.09 -0.11 0.08 -0.10 0.00 0.00 175.22 175.82 3kqf s VAL 184 N -0.75 1.00 0.09 -0.44 1.01 -1.26 -0.86 120.40 119.19 3kqf s VAL 184 Ca -0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3kqf s VAL 184 Cb -0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3kqf s VAL 184 CO -0.00 0.31 -0.01 0.68 0.00 0.00 0.00 175.10 176.08 3kqf s VAL 185 N 0.44 0.28 0.60 2.92 -7.23 -0.42 -4.96 120.40 112.03 3kqf s VAL 185 Ca -0.09 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.02 3kqf s VAL 185 Cb -0.13 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 3kqf s VAL 185 CO 0.02 -0.78 1.18 -2.65 -0.31 0.00 0.00 175.10 172.56 3kqf n PRO 186 N -0.00 1.19 -0.28 4.82 -0.02 -1.26 -0.36 135.00 139.09 3kqf n PRO 186 Ca -0.11 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 61.92 3kqf n PRO 186 Cb 0.62 -2.39 0.24 0.00 -0.02 0.00 0.00 33.50 31.94 3kqf n PRO 186 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3kqf h VAL 187 N 0.79 0.44 0.00 -1.45 3.04 -1.93 -0.38 116.25 116.75 3kqf h VAL 187 Ca -0.50 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3kqf h VAL 187 Cb 1.34 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3kqf h VAL 187 CO 0.53 0.05 0.00 1.41 -1.01 0.00 0.00 177.57 178.55 3kqf n HIS 188 N -5.16 0.00 0.93 3.17 8.25 -1.26 -3.17 115.22 117.97 3kqf n HIS 188 Ca 0.18 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 3kqf n HIS 188 Cb 0.56 -0.50 0.06 0.00 1.12 0.00 0.00 29.99 31.24 3kqf n HIS 188 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kqf n LEU 189 N -1.50 2.59 0.12 2.41 4.77 -0.16 -4.69 117.00 120.54 3kqf n LEU 189 Ca 0.06 -0.93 -0.13 0.00 -0.03 0.00 0.00 56.01 54.98 3kqf n LEU 189 Cb 0.28 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 3kqf n LEU 189 CO 0.22 0.45 0.73 0.25 -1.33 0.00 0.00 177.39 177.72 3kqf h LEU 190 N 3.77 -0.54 -0.66 2.23 5.85 -1.49 -1.77 115.31 122.70 3kqf h LEU 190 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3kqf h LEU 190 Cb 0.87 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3kqf h LEU 190 CO 0.00 -0.28 0.30 -0.08 -0.34 0.00 0.00 178.44 178.04 3kqf h GLU 191 N -0.39 0.96 -0.61 1.25 4.81 -1.85 -1.66 114.58 117.08 3kqf h GLU 191 Ca 0.02 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3kqf h GLU 191 Cb 0.39 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3kqf h GLU 191 CO -0.09 0.78 0.25 0.93 -0.73 0.00 0.00 179.01 180.15 3kqf h GLU 192 N 0.92 0.92 -0.09 1.92 5.08 -1.85 -0.89 114.58 120.59 3kqf h GLU 192 Ca 0.22 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3kqf h GLU 192 Cb 0.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kqf h GLU 192 CO -0.02 0.78 -0.59 0.87 -1.00 0.00 0.00 179.01 179.04 3kqf h LYS 193 N 0.86 0.29 -0.23 2.33 1.79 -1.20 -1.26 116.57 119.16 3kqf h LYS 193 Ca 0.20 -0.19 -0.16 0.00 -2.18 0.00 0.00 60.65 58.32 3kqf h LYS 193 Cb 0.20 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 3kqf h LYS 193 CO -0.02 0.79 -0.52 0.00 -1.08 0.00 0.00 179.45 178.63 3kqf h ALA 194 N 1.16 0.67 -0.31 3.86 0.00 -1.12 -2.38 119.26 121.14 3kqf h ALA 194 Ca -0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3kqf h ALA 194 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3kqf h ALA 194 CO 0.09 0.68 -0.41 0.82 0.00 0.00 0.00 179.25 180.44 3kqf h ILE 195 N 0.50 1.29 -0.36 0.00 2.04 -1.04 -1.78 117.51 118.16 3kqf h ILE 195 Ca 0.02 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3kqf h ILE 195 Cb 1.07 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3kqf h ILE 195 CO 0.10 0.52 0.17 -0.08 0.00 0.00 0.00 178.15 178.86 3kqf h GLU 196 N 0.63 0.51 -0.37 2.37 4.81 -1.17 0.44 114.58 121.81 3kqf h GLU 196 Ca 0.05 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3kqf h GLU 196 Cb 0.96 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3kqf h GLU 196 CO 0.09 0.46 0.04 0.82 -0.73 0.00 0.00 179.01 179.69 3kqf h ILE 197 N 0.44 1.24 -0.69 2.32 2.04 -1.41 -1.81 117.51 119.64 3kqf h ILE 197 Ca 0.12 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3kqf h ILE 197 Cb 0.11 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3kqf h ILE 197 CO -0.02 0.30 0.42 0.00 0.00 0.00 0.00 178.15 178.85 3kqf h ALA 198 N 0.90 0.92 -0.53 1.87 0.00 -1.10 -1.25 119.26 120.06 3kqf h ALA 198 Ca 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kqf h ALA 198 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kqf h ALA 198 CO 0.01 0.15 0.10 0.93 0.00 0.00 0.00 179.25 180.44 3kqf h GLU 199 N 0.79 0.83 -0.29 0.00 5.08 -0.70 0.97 114.58 121.26 3kqf h GLU 199 Ca 0.29 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3kqf h GLU 199 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kqf h GLU 199 CO -0.14 0.76 0.14 -0.22 -1.00 0.00 0.00 179.01 178.56 3kqf h LYS 200 N 0.79 0.42 -0.62 2.33 1.63 -0.56 -1.35 116.57 119.21 3kqf h LYS 200 Ca 0.17 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 3kqf h LYS 200 Cb 0.33 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 3kqf h LYS 200 CO 0.00 0.39 0.19 0.82 -3.45 0.00 0.00 179.45 177.40 3kqf h ILE 201 N 0.34 1.25 0.00 2.00 2.04 -1.00 -2.57 117.51 119.57 3kqf h ILE 201 Ca 0.10 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3kqf h ILE 201 Cb 0.11 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3kqf h ILE 201 CO -0.01 0.32 -0.05 0.00 0.00 0.00 0.00 178.15 178.41 3kqf h ALA 202 N 1.06 1.36 0.00 1.87 0.00 -0.53 -1.77 119.26 121.26 3kqf h ALA 202 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kqf h ALA 202 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kqf h ALA 202 CO -0.01 0.06 0.00 0.77 0.00 0.00 0.00 179.25 180.07 3kqf h SER 203 N 0.00 0.00 -3.85 0.00 0.02 -0.82 -3.46 113.55 105.43 3kqf h SER 203 Ca -0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3kqf h SER 203 Cb 0.14 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.76 3kqf h SER 203 CO 0.01 0.00 0.25 0.20 -1.14 0.00 0.00 176.83 176.14 3kqf s ASN 204 N -5.43 4.83 -0.14 3.07 0.01 -0.67 -4.67 114.94 111.95 3kqf s ASN 204 Ca 0.06 0.51 -0.29 0.00 -0.71 0.00 0.00 52.86 52.44 3kqf s ASN 204 Cb 0.08 -1.17 -0.06 0.00 0.41 0.00 0.00 41.25 40.52 3kqf s ASN 204 CO 0.59 -1.60 2.01 -0.83 -1.51 0.00 0.00 177.10 175.76 3kqf s GLY 205 N -4.51 0.96 0.25 0.66 0.00 -1.26 -4.88 107.32 98.54 3kqf s GLY 205 Ca 0.60 0.88 -0.05 0.00 0.00 0.00 0.00 44.72 46.15 3kqf s GLY 205 CO 0.45 3.53 1.92 -2.55 0.00 0.00 0.00 173.10 176.45 3kqf h PRO 206 N 12.71 1.27 -0.50 2.90 0.11 -1.90 0.71 132.00 147.30 3kqf h PRO 206 Ca -0.42 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3kqf h PRO 206 Cb 1.22 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3kqf h PRO 206 CO 0.96 0.86 0.09 0.82 -0.21 0.00 0.00 178.00 180.53 3kqf h ILE 207 N 1.30 1.25 -0.44 4.15 2.04 -1.90 -2.32 117.51 121.59 3kqf h ILE 207 Ca 0.34 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3kqf h ILE 207 Cb -0.11 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3kqf h ILE 207 CO -0.07 0.32 0.12 0.00 0.00 0.00 0.00 178.15 178.53 3kqf h ALA 208 N 0.98 0.58 -0.78 1.87 0.00 -1.78 -1.36 119.26 118.77 3kqf h ALA 208 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kqf h ALA 208 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3kqf h ALA 208 CO 0.01 0.24 0.44 0.28 0.00 0.00 0.00 179.25 180.22 3kqf h VAL 209 N 0.57 1.23 -0.48 0.00 2.07 -0.82 0.94 116.25 119.75 3kqf h VAL 209 Ca 0.14 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 3kqf h VAL 209 Cb 0.29 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3kqf h VAL 209 CO -0.00 0.25 -0.04 0.03 0.02 0.00 0.00 177.57 177.83 3kqf h ARG 210 N 1.07 0.88 -0.47 1.57 3.08 -1.30 -1.13 114.38 118.08 3kqf h ARG 210 Ca 0.27 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3kqf h ARG 210 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3kqf h ARG 210 CO -0.05 0.94 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.66 3kqf h LEU 211 N 0.74 0.81 -0.46 3.04 3.38 -0.92 -1.97 115.31 119.92 3kqf h LEU 211 Ca 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kqf h LEU 211 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3kqf h LEU 211 CO 0.03 0.91 0.17 0.00 0.09 0.00 0.00 178.44 179.64 3kqf h ALA 212 N 1.17 0.60 -0.59 1.53 0.00 -0.56 -0.06 119.26 121.35 3kqf h ALA 212 Ca 0.13 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kqf h ALA 212 Cb 0.55 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3kqf h ALA 212 CO 0.03 0.22 0.32 -0.22 0.00 0.00 0.00 179.25 179.61 3kqf h LYS 213 N 0.61 0.60 -0.13 0.00 3.64 -0.94 -0.76 116.57 119.58 3kqf h LYS 213 Ca 0.15 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3kqf h LYS 213 Cb 0.22 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3kqf h LYS 213 CO -0.01 0.40 0.04 0.93 -2.27 0.00 0.00 179.45 178.54 3kqf h GLU 214 N 0.62 0.20 -0.29 1.90 4.39 -1.05 -1.29 114.58 119.06 3kqf h GLU 214 Ca 0.26 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3kqf h GLU 214 Cb 0.13 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3kqf h GLU 214 CO -0.16 0.33 0.17 0.00 -1.16 0.00 0.00 179.01 178.20 3kqf h ALA 215 N 0.86 0.36 0.16 3.43 0.00 -0.75 -1.78 119.26 121.54 3kqf h ALA 215 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kqf h ALA 215 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kqf h ALA 215 CO -0.00 -0.14 -0.08 0.82 0.00 0.00 0.00 179.25 179.85 3kqf h ILE 216 N 0.37 0.96 -0.60 0.00 2.04 -1.17 0.06 117.51 119.17 3kqf h ILE 216 Ca 0.10 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3kqf h ILE 216 Cb 0.01 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3kqf h ILE 216 CO -0.02 0.15 0.11 0.28 0.00 0.00 0.00 178.15 178.67 3kqf h SER 217 N -0.52 0.91 0.16 1.72 0.02 -1.22 -1.77 113.55 112.84 3kqf h SER 217 Ca -0.02 -0.19 -0.30 0.00 -0.84 0.00 0.00 61.79 60.44 3kqf h SER 217 Cb 0.40 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.71 3kqf h SER 217 CO 0.04 0.90 -1.46 0.78 -1.14 0.00 0.00 176.83 175.95 3kqf h ASN 218 N 0.91 0.52 -0.07 3.07 2.35 -1.41 -3.39 115.58 117.56 3kqf h ASN 218 Ca 0.19 -0.90 -0.05 0.00 -0.55 0.00 0.00 56.30 54.99 3kqf h ASN 218 Cb 0.37 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3kqf h ASN 218 CO 0.01 1.66 -0.08 1.23 -1.65 0.00 0.00 177.43 178.59 3kqf h GLY 219 N 0.22 0.37 2.00 2.83 0.00 -0.94 -2.53 103.07 105.02 3kqf h GLY 219 Ca -0.29 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kqf h GLY 219 CO 0.13 0.21 0.00 4.51 0.00 0.00 0.00 176.54 181.39 3kqf n ILE 220 N -4.28 0.87 1.25 2.60 0.13 -0.67 -2.52 119.36 116.75 3kqf n ILE 220 Ca 0.00 0.33 0.14 0.00 -1.10 0.00 0.00 62.75 62.12 3kqf n ILE 220 Cb 0.26 -1.28 0.54 0.00 -0.84 0.00 0.00 39.64 38.33 3kqf n ILE 220 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kqf n GLN 221 N -2.25 0.44 -2.82 9.51 1.13 -0.95 -4.92 117.38 117.51 3kqf n GLN 221 Ca 0.01 -0.15 -0.09 0.00 -1.94 0.00 0.00 57.00 54.83 3kqf n GLN 221 Cb 0.19 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.14 0.00 -2.06 5.09 0.24 -1.05 -5.13 118.33 114.28 3kqf n VAL 222 Ca 0.11 -0.79 -0.35 0.00 -2.04 0.00 0.00 64.34 61.27 3kqf n VAL 222 Cb 0.30 0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.95 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 -1.86 5.32 0.21 -1.34 -4.77 -1.26 -4.82 116.67 108.15 3kqf s ASP 223 Ca 0.05 2.29 -0.10 0.00 -3.30 0.00 0.00 52.55 51.50 3kqf s ASP 223 Cb 0.00 -2.59 0.29 0.00 -1.09 0.00 0.00 42.92 39.54 3kqf s ASP 223 CO 0.04 -1.50 1.71 0.25 0.70 0.00 0.00 175.17 176.37 3kqf h LEU 224 N 0.90 0.01 -0.43 2.11 5.85 -1.98 -0.94 115.31 120.82 3kqf h LEU 224 Ca -0.50 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.38 3kqf h LEU 224 Cb 1.28 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 3kqf h LEU 224 CO 0.55 0.01 0.16 -0.74 -0.34 0.00 0.00 178.44 178.08 3kqf h HIS 225 N 0.26 0.28 -0.47 1.25 2.76 -1.98 0.18 115.15 117.44 3kqf h HIS 225 Ca 0.31 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.40 3kqf h HIS 225 Cb 0.47 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 3kqf h HIS 225 CO -0.25 0.11 -0.14 1.15 -1.30 0.00 0.00 177.93 177.51 3kqf h THR 226 N 0.33 1.27 -0.94 6.26 2.02 -1.84 -2.79 112.91 117.22 3kqf h THR 226 Ca 0.20 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 66.15 3kqf h THR 226 Cb 0.18 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 3kqf h THR 226 CO -0.20 0.44 0.61 1.23 0.37 0.00 0.00 175.52 177.97 3kqf h GLY 227 N 0.76 1.38 1.64 2.16 0.00 -0.56 -1.16 103.07 107.29 3kqf h GLY 227 Ca 0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3kqf h GLY 227 CO 0.05 0.38 0.07 1.41 0.00 0.00 0.00 176.54 178.45 3kqf h LEU 228 N 1.16 0.42 -1.94 3.11 3.38 -0.51 -1.51 115.31 119.41 3kqf h LEU 228 Ca 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3kqf h LEU 228 Cb 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3kqf h LEU 228 CO -0.13 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3kqf n GLN 229 N -4.36 0.52 0.00 1.13 1.13 -0.44 -1.23 117.38 114.13 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 0.18 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.29 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 0.71 0.00 -0.27 -1.09 2.13 -0.57 -1.83 120.64 119.73 3kqf n GLU 231 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 3kqf n GLU 231 Cb 0.25 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.06 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 0.84 -0.07 5.31 3.64 -1.44 0.31 116.57 125.17 3kqf h LYS 232 Ca 0.00 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 3kqf h LYS 232 Cb 0.00 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3kqf h LYS 232 CO 0.00 0.56 -0.68 0.37 -2.27 0.00 0.00 179.45 177.42 3kqf h GLN 233 N 0.87 0.30 -0.62 1.90 5.75 -1.65 -2.70 115.11 118.96 3kqf h GLN 233 Ca 0.31 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3kqf h GLN 233 Cb 0.09 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3kqf h GLN 233 CO -0.14 0.87 0.20 0.00 -2.65 0.00 0.00 178.83 177.10 3kqf h ALA 234 N 1.07 0.81 -0.90 3.38 0.00 -1.70 -2.74 119.26 119.17 3kqf h ALA 234 Ca -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kqf h ALA 234 Cb 1.23 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3kqf h ALA 234 CO 0.11 0.48 0.60 -0.92 0.00 0.00 0.00 179.25 179.51 3kqf h TYR 235 N 0.89 1.12 -1.01 0.00 3.20 -0.77 -0.59 116.97 119.81 3kqf h TYR 235 Ca 0.20 0.03 0.26 0.00 3.14 0.00 0.00 58.73 62.36 3kqf h TYR 235 Cb 0.29 -0.38 -0.08 0.00 1.54 0.00 0.00 36.73 38.10 3kqf h TYR 235 CO 0.02 0.69 0.67 0.93 -1.64 0.00 0.00 178.16 178.83 3kqf h GLU 236 N 1.20 0.30 0.00 1.82 4.39 -1.16 -1.23 114.58 119.90 3kqf h GLU 236 Ca 0.34 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 3kqf h GLU 236 Cb -0.10 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3kqf h GLU 236 CO -0.08 0.20 -0.03 0.78 -1.16 0.00 0.00 179.01 178.72 3kqf h GLY 237 N 0.31 0.00 0.56 -3.84 0.00 -1.12 -2.56 103.07 96.42 3kqf h GLY 237 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3kqf h GLY 237 CO -0.20 0.00 -0.78 3.33 0.00 0.00 0.00 176.54 178.89 3kqf n VAL 238 N -3.46 0.03 0.04 4.60 0.24 -0.47 -4.51 118.33 114.80 3kqf n VAL 238 Ca -0.02 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.12 3kqf n VAL 238 Cb 0.14 0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 32.97 3kqf n VAL 238 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3kqf h ILE 239 N 0.00 1.01 -1.58 1.34 2.04 -1.47 -3.05 117.51 115.80 3kqf h ILE 239 Ca 0.00 -0.03 -0.75 0.00 1.00 0.00 0.00 64.86 65.09 3kqf h ILE 239 Cb 0.54 1.03 -0.19 0.00 -0.74 0.00 0.00 36.82 37.46 3kqf h ILE 239 CO 0.00 0.01 1.69 1.41 0.00 0.00 0.00 178.15 181.26 3kqf n HIS 240 N -5.08 2.60 -4.65 1.37 8.25 -1.26 -4.92 115.22 111.52 3kqf n HIS 240 Ca -0.07 -2.63 -0.22 0.00 -0.26 0.00 0.00 57.72 54.54 3kqf n HIS 240 Cb 0.04 -1.54 -0.15 0.00 1.12 0.00 0.00 29.99 29.46 3kqf n HIS 240 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kqf s THR 241 N -2.59 1.12 0.38 1.59 -4.23 -1.15 -5.02 115.64 105.74 3kqf s THR 241 Ca 0.49 -0.62 0.09 0.00 -1.18 0.00 0.00 61.69 60.48 3kqf s THR 241 Cb 0.22 -0.94 0.15 0.00 1.34 0.00 0.00 72.50 73.27 3kqf s THR 241 CO -0.14 0.31 1.89 0.11 -0.54 0.00 0.00 174.62 176.26 3kqf h LYS 242 N 5.77 0.24 -0.80 3.99 1.57 -1.21 -3.06 116.57 123.06 3kqf h LYS 242 Ca -0.34 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3kqf h LYS 242 Cb 1.16 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 3kqf h LYS 242 CO 0.49 0.40 0.52 -0.44 -0.57 0.00 0.00 179.45 179.85 3kqf h ASP 243 N 0.22 0.89 -0.59 0.86 3.32 -1.94 -0.91 116.42 118.27 3kqf h ASP 243 Ca 0.04 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3kqf h ASP 243 Cb 0.41 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3kqf h ASP 243 CO 0.03 0.63 0.35 -0.09 -1.72 0.00 0.00 179.24 178.43 3kqf h ARG 244 N 1.05 0.66 -0.86 3.56 2.43 -1.79 -0.55 114.38 118.88 3kqf h ARG 244 Ca 0.31 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3kqf h ARG 244 Cb -0.06 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 3kqf h ARG 244 CO -0.09 0.44 0.44 -0.07 -1.51 0.00 0.00 179.97 179.18 3kqf h LEU 245 N 0.68 1.10 -1.10 3.80 3.38 -1.45 -2.37 115.31 119.35 3kqf h LEU 245 Ca 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3kqf h LEU 245 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3kqf h LEU 245 CO -0.11 0.90 0.14 -0.08 0.09 0.00 0.00 178.44 179.38 3kqf h GLU 246 N 1.21 0.79 -0.14 1.13 4.57 -0.56 -0.24 114.58 121.33 3kqf h GLU 246 Ca 0.30 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3kqf h GLU 246 Cb 0.08 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3kqf h GLU 246 CO -0.04 0.70 0.07 0.78 -1.18 0.00 0.00 179.01 179.33 3kqf h GLY 247 N 0.94 0.18 1.38 1.92 0.00 -0.60 0.10 103.07 106.99 3kqf h GLY 247 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 3kqf h GLY 247 CO -0.01 0.05 -0.29 1.41 0.00 0.00 0.00 176.54 177.70 3kqf h LEU 248 N 0.15 0.72 -0.46 3.11 3.38 -1.24 -1.03 115.31 119.94 3kqf h LEU 248 Ca 0.06 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3kqf h LEU 248 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3kqf h LEU 248 CO -0.04 0.97 0.05 -0.61 0.09 0.00 0.00 178.44 178.90 3kqf h GLN 249 N 0.60 0.78 -0.48 1.13 5.75 -0.84 0.12 115.11 122.17 3kqf h GLN 249 Ca 0.07 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 3kqf h GLN 249 Cb 0.79 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 3kqf h GLN 249 CO 0.07 0.81 0.05 0.00 -2.65 0.00 0.00 178.83 177.10 3kqf h ALA 250 N 0.94 1.18 -0.14 3.38 0.00 -0.67 0.38 119.26 124.33 3kqf h ALA 250 Ca 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kqf h ALA 250 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kqf h ALA 250 CO 0.01 0.54 0.07 0.35 0.00 0.00 0.00 179.25 180.22 3kqf h PHE 251 N 0.73 0.19 -0.42 0.00 3.57 -0.69 0.40 116.94 120.72 3kqf h PHE 251 Ca 0.15 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3kqf h PHE 251 Cb 0.38 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3kqf h PHE 251 CO 0.02 0.23 0.08 -0.22 -2.23 0.00 0.00 178.31 176.19 3kqf h LYS 252 N 0.10 0.69 -0.02 1.11 3.64 -0.43 -2.83 116.57 118.83 3kqf h LYS 252 Ca 0.05 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3kqf h LYS 252 Cb 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3kqf h LYS 252 CO -0.01 0.72 0.00 0.39 -2.27 0.00 0.00 179.45 178.28 3kqf n GLU 253 N -4.51 1.17 -3.61 1.90 1.02 0.13 -4.95 120.64 111.80 3kqf n GLU 253 Ca -0.00 -0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 56.60 3kqf n GLU 253 Cb 0.23 -1.39 0.05 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 -0.60 -1.35 -4.03 3.49 5.02 0.03 -5.00 118.16 115.72 3kqf n LYS 254 Ca 0.18 0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 56.91 3kqf n LYS 254 Cb 0.15 -4.34 -0.05 0.00 -0.02 0.00 0.00 35.03 30.77 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 -5.64 1.70 0.02 1.97 1.70 -0.60 -5.05 118.95 113.05 3kqf s ARG 255 Ca 0.45 -1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 53.93 3kqf s ARG 255 Cb -0.15 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 3kqf s ARG 255 CO 0.84 -0.71 1.23 0.99 -1.08 0.00 0.00 175.30 176.57 3kqf s THR 256 N -3.56 4.05 0.00 4.99 2.01 -1.26 -4.57 115.64 117.29 3kqf s THR 256 Ca 0.26 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.70 3kqf s THR 256 Cb -0.00 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3kqf s THR 256 CO 0.13 0.06 0.00 -0.81 -0.69 0.00 0.00 174.62 173.32 3kqf n PRO 257 N 4.51 2.13 -3.59 4.92 -0.04 -1.26 -4.99 135.00 136.68 3kqf n PRO 257 Ca 0.10 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 3kqf n PRO 257 Cb 0.46 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.40 -0.12 0.54 2.02 -1.26 -5.06 117.35 113.06 3kqf s TYR 259 Ca 0.00 0.76 0.02 0.00 -0.37 0.00 0.00 57.07 57.48 3kqf s TYR 259 Cb 0.00 0.43 -0.00 0.00 -0.40 0.00 0.00 41.96 41.98 3kqf s TYR 259 CO 0.00 -0.32 0.25 1.63 -1.57 0.00 0.00 175.55 175.54 3kqf n LYS 260 N 1.09 3.73 -2.51 -0.62 4.76 -1.26 -5.00 118.16 118.35 3kqf n LYS 260 Ca -0.11 -0.23 -0.04 0.00 -2.87 0.00 0.00 58.31 55.06 3kqf n LYS 260 Cb 0.57 -0.75 0.02 0.00 -1.84 0.00 0.00 35.03 33.04 3kqf n LYS 260 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kqf n GLY 261 N 0.68 0.44 0.00 0.72 0.00 -1.26 -5.04 105.19 100.73 3kqf n GLY 261 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3kqf n GLY 261 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48