#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9y n LEU 3 N 0.00 7.05 0.19 0.00 4.77 -1.26 -4.81 117.00 122.94 1k9y n LEU 3 Ca 0.00 -5.00 -0.15 0.00 -0.03 0.00 0.00 56.01 50.83 1k9y n LEU 3 Cb 0.00 -0.99 -0.08 0.00 -2.33 0.00 0.00 43.42 40.02 1k9y n LEU 3 CO 0.00 1.89 0.69 -0.33 -1.33 0.00 0.00 177.39 178.31 1k9y h GLU 4 N 3.14 -0.42 -0.68 3.23 3.07 -2.04 -0.34 114.58 120.54 1k9y h GLU 4 Ca 0.52 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.37 1k9y h GLU 4 Cb 0.20 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1k9y h GLU 4 CO 1.30 -0.21 0.29 -0.09 -1.40 0.00 0.00 179.01 178.91 1k9y h ARG 5 N -0.55 0.98 -0.41 2.33 9.65 -2.01 -2.47 114.38 121.90 1k9y h ARG 5 Ca -0.04 -0.15 -0.11 0.00 -1.10 0.00 0.00 59.98 58.58 1k9y h ARG 5 Cb 0.41 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1k9y h ARG 5 CO 0.07 0.78 -0.18 0.93 2.80 0.00 0.00 179.97 184.38 1k9y h GLU 6 N 0.97 0.78 -0.37 0.20 3.07 -1.90 -1.28 114.58 116.06 1k9y h GLU 6 Ca 0.23 -0.29 -0.10 0.00 -0.50 0.00 0.00 59.36 58.70 1k9y h GLU 6 Cb 0.15 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1k9y h GLU 6 CO -0.02 0.90 -0.16 1.25 -1.40 0.00 0.00 179.01 179.58 1k9y h LEU 7 N 0.69 0.78 -0.16 1.33 5.85 -0.68 -0.11 115.31 123.02 1k9y h LEU 7 Ca 0.11 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1k9y h LEU 7 Cb 0.68 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1k9y h LEU 7 CO 0.05 1.01 0.07 0.25 -0.34 0.00 0.00 178.44 179.48 1k9y h LEU 8 N 0.56 0.21 -0.35 2.25 5.85 -1.13 -1.08 115.31 121.62 1k9y h LEU 8 Ca 0.08 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1k9y h LEU 8 Cb 0.70 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1k9y h LEU 8 CO 0.05 0.29 0.17 0.58 -0.34 0.00 0.00 178.44 179.19 1k9y h VAL 9 N 0.12 0.97 -0.62 1.05 2.07 -1.15 -1.12 116.25 117.55 1k9y h VAL 9 Ca 0.05 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1k9y h VAL 9 Cb 0.14 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1k9y h VAL 9 CO -0.01 0.06 0.38 0.00 0.02 0.00 0.00 177.57 178.03 1k9y h ALA 10 N 1.19 0.79 -0.15 1.67 0.00 -0.81 -0.46 119.26 121.49 1k9y h ALA 10 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1k9y h ALA 10 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1k9y h ALA 10 CO -0.11 0.27 0.06 1.15 0.00 0.00 0.00 179.25 180.61 1k9y h THR 11 N 0.84 1.15 -0.05 0.00 2.02 -0.91 -1.20 112.91 114.77 1k9y h THR 11 Ca 0.22 -0.46 -0.16 0.00 0.77 0.00 0.00 66.41 66.78 1k9y h THR 11 Cb -0.03 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1k9y h THR 11 CO -0.04 0.14 -0.67 1.56 0.37 0.00 0.00 175.52 176.88 1k9y h GLN 12 N 0.09 0.22 -0.02 6.66 1.08 -1.05 -0.03 115.11 122.06 1k9y h GLN 12 Ca 0.05 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1k9y h GLN 12 Cb 0.17 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1k9y h GLN 12 CO -0.00 0.81 0.00 0.00 -0.95 0.00 0.00 178.83 178.69 1k9y h ALA 13 N 1.14 0.02 -0.75 3.87 0.00 -0.99 -1.75 119.26 120.81 1k9y h ALA 13 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1k9y h ALA 13 Cb 1.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1k9y h ALA 13 CO 0.10 -0.36 0.43 0.28 0.00 0.00 0.00 179.25 179.70 1k9y h VAL 14 N -0.20 1.22 -0.21 0.00 2.07 -1.17 -2.17 116.25 115.79 1k9y h VAL 14 Ca 0.01 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1k9y h VAL 14 Cb 0.24 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1k9y h VAL 14 CO 0.00 0.24 -0.05 -0.09 0.02 0.00 0.00 177.57 177.69 1k9y h ARG 15 N 1.03 -0.00 -0.66 1.57 2.43 -0.77 0.97 114.38 118.96 1k9y h ARG 15 Ca 0.27 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1k9y h ARG 15 Cb 0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1k9y h ARG 15 CO -0.05 -0.00 0.37 -0.22 -1.51 0.00 0.00 179.97 178.56 1k9y h LYS 16 N -0.00 0.91 0.00 0.20 3.64 -1.18 -2.02 116.57 118.12 1k9y h LYS 16 Ca 0.10 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1k9y h LYS 16 Cb 0.15 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1k9y h LYS 16 CO -0.22 0.68 -0.44 0.00 -2.27 0.00 0.00 179.45 177.20 1k9y h ALA 17 N 1.18 1.16 -0.30 5.00 0.00 -1.23 -2.55 119.26 122.53 1k9y h ALA 17 Ca 0.23 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1k9y h ALA 17 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1k9y h ALA 17 CO -0.04 0.55 -0.27 0.77 0.00 0.00 0.00 179.25 180.27 1k9y h SER 18 N 0.00 0.60 -0.22 0.00 0.02 -0.22 -1.39 113.55 112.34 1k9y h SER 18 Ca -0.00 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.58 1k9y h SER 18 Cb 0.84 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1k9y h SER 18 CO 0.06 0.85 -0.42 0.25 -1.14 0.00 0.00 176.83 176.43 1k9y h LEU 19 N 0.52 0.75 -0.36 5.07 5.85 -1.13 -1.43 115.31 124.57 1k9y h LEU 19 Ca 0.07 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1k9y h LEU 19 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1k9y h LEU 19 CO 0.06 1.15 0.20 0.25 -0.34 0.00 0.00 178.44 179.76 1k9y h LEU 20 N 0.38 0.44 -0.51 2.25 6.46 -1.32 -0.65 115.31 122.37 1k9y h LEU 20 Ca 0.01 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.57 1k9y h LEU 20 Cb 1.02 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1k9y h LEU 20 CO 0.09 0.39 -0.18 0.71 -0.62 0.00 0.00 178.44 178.83 1k9y h THR 21 N 0.46 1.27 -0.34 1.05 1.35 -1.23 -1.07 112.91 114.39 1k9y h THR 21 Ca 0.13 -1.35 0.03 0.00 -0.55 0.00 0.00 66.41 64.67 1k9y h THR 21 Cb 0.04 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 1k9y h THR 21 CO -0.02 0.47 0.16 0.50 -0.25 0.00 0.00 175.52 176.38 1k9y h LYS 22 N 0.88 0.33 -0.56 4.72 1.63 -1.14 -2.30 116.57 120.13 1k9y h LYS 22 Ca 0.12 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.81 1k9y h LYS 22 Cb 0.76 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1k9y h LYS 22 CO 0.06 0.22 0.01 0.00 -3.45 0.00 0.00 179.45 176.28 1k9y h ARG 23 N 0.34 0.99 0.00 1.90 3.08 -0.83 -3.18 114.38 116.67 1k9y h ARG 23 Ca 0.14 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1k9y h ARG 23 Cb 0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1k9y h ARG 23 CO -0.11 0.99 -0.07 0.97 -1.07 0.00 0.00 179.97 180.68 1k9y h ILE 24 N 0.87 0.13 -0.49 2.04 2.10 -1.17 -3.41 117.51 117.58 1k9y h ILE 24 Ca 0.16 -1.11 0.08 0.00 1.08 0.00 0.00 64.86 65.08 1k9y h ILE 24 Cb 0.54 2.00 -0.10 0.00 -1.09 0.00 0.00 36.82 38.16 1k9y h ILE 24 CO 0.03 0.07 -0.39 -0.61 -1.08 0.00 0.00 178.15 176.17 1k9y h GLN 25 N 0.00 -0.24 -0.26 2.19 4.15 -1.39 -0.26 115.11 119.30 1k9y h GLN 25 Ca -0.00 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1k9y h GLN 25 Cb 0.99 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1k9y h GLN 25 CO 0.01 -0.16 -0.06 0.66 -1.93 0.00 0.00 178.83 177.35 1k9y h SER 26 N -0.25 0.38 0.29 -0.69 4.64 -1.83 -1.41 113.55 114.68 1k9y h SER 26 Ca 0.18 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 1k9y h SER 26 Cb 0.56 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1k9y h SER 26 CO -0.62 0.49 -0.63 -0.33 -0.87 0.00 0.00 176.83 174.87 1k9y h GLU 27 N 0.39 0.33 -0.09 4.77 3.07 -1.58 -0.87 114.58 120.60 1k9y h GLU 27 Ca 0.08 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1k9y h GLU 27 Cb 0.35 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1k9y h GLU 27 CO 0.02 0.85 -0.01 0.28 -1.40 0.00 0.00 179.01 178.74 1k9y h VAL 28 N 0.24 1.28 -0.74 3.13 2.07 -0.76 -1.98 116.25 119.49 1k9y h VAL 28 Ca -0.01 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1k9y h VAL 28 Cb 1.16 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 1k9y h VAL 28 CO 0.10 0.25 0.46 0.40 0.02 0.00 0.00 177.57 178.80 1k9y h ILE 29 N -0.15 1.07 0.00 4.57 2.04 -1.07 -1.46 117.51 122.51 1k9y h ILE 29 Ca 0.02 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 1k9y h ILE 29 Cb 0.40 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1k9y h ILE 29 CO 0.01 0.16 -0.53 0.77 0.00 0.00 0.00 178.15 178.56 1k9y h SER 30 N 0.88 0.00 -0.98 1.72 4.64 -1.09 -3.22 113.55 115.49 1k9y h SER 30 Ca 0.31 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.04 1k9y h SER 30 Cb 0.07 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.76 1k9y h SER 30 CO -0.13 0.53 -0.50 1.41 -0.87 0.00 0.00 176.83 177.27 1k9y n HIS 31 N -3.86 2.95 -0.37 4.77 8.25 -0.75 -4.84 115.22 121.38 1k9y n HIS 31 Ca -0.01 -2.51 0.28 0.00 -0.26 0.00 0.00 57.72 55.22 1k9y n HIS 31 Cb 0.55 -0.47 0.56 0.00 1.12 0.00 0.00 29.99 31.75 1k9y n HIS 31 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1k9y h LYS 32 N 2.27 0.26 -0.59 -0.41 -0.00 -1.30 -0.97 116.57 115.82 1k9y h LYS 32 Ca 0.40 -0.02 0.04 0.00 -0.00 0.00 0.00 60.65 61.07 1k9y h LYS 32 Cb 1.26 -0.06 -0.04 0.00 -0.00 0.00 0.00 32.23 33.39 1k9y h LYS 32 CO 0.92 0.17 0.35 -0.44 -0.00 0.00 0.00 179.45 180.45 1k9y h ASP 33 N 0.27 0.55 -0.01 7.07 5.19 -1.88 -2.71 116.42 124.90 1k9y h ASP 33 Ca 0.68 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 57.10 1k9y h ASP 33 Cb 1.91 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 41.32 1k9y h ASP 33 CO -0.34 0.38 -0.50 -1.54 -3.12 0.00 0.00 179.24 174.12 1k9y n SER 34 N -4.77 1.46 -0.02 6.45 3.41 -0.66 -4.55 113.62 114.94 1k9y n SER 34 Ca 0.06 -1.23 0.07 0.00 -0.26 0.00 0.00 58.87 57.51 1k9y n SER 34 Cb 0.10 0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 64.61 1k9y n SER 34 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k9y n THR 35 N -0.48 0.00 -4.55 6.66 -2.24 -0.46 -4.97 114.28 108.24 1k9y n THR 35 Ca 0.06 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 1k9y n THR 35 Cb 0.34 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 1k9y n THR 35 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k9y s THR 36 N -2.31 1.05 0.06 4.28 2.01 -1.03 -1.41 115.64 118.29 1k9y s THR 36 Ca 0.06 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.68 1k9y s THR 36 Cb 0.11 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 1k9y s THR 36 CO 0.57 0.33 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.95 1k9y s ILE 37 N 0.41 2.05 -0.20 1.82 1.01 0.23 -4.87 121.20 121.65 1k9y s ILE 37 Ca -0.09 -1.42 -0.12 0.00 0.00 0.00 0.00 60.65 59.02 1k9y s ILE 37 Cb -0.13 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1k9y s ILE 37 CO 0.02 0.27 0.20 -0.89 0.00 0.00 0.00 174.94 174.54 1k9y s THR 38 N -0.86 5.36 0.15 2.92 2.01 -1.26 -0.46 115.64 123.49 1k9y s THR 38 Ca 0.11 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 1k9y s THR 38 Cb -0.10 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.90 1k9y s THR 38 CO 0.03 0.39 0.20 0.29 -0.69 0.00 0.00 174.62 174.84 1k9y n LYS 39 N 3.75 0.14 0.21 4.92 5.02 -0.11 -4.89 118.16 127.22 1k9y n LYS 39 Ca -0.14 -0.41 0.14 0.00 -2.02 0.00 0.00 58.31 55.88 1k9y n LYS 39 Cb 0.52 -0.17 0.37 0.00 -0.02 0.00 0.00 35.03 35.73 1k9y n LYS 39 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1k9y h ASN 40 N -0.20 0.00 -0.58 4.39 -1.07 -1.99 -1.32 115.58 114.81 1k9y h ASN 40 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.31 1k9y h ASN 40 Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 1k9y h ASN 40 CO 0.06 0.00 0.00 -0.90 0.07 0.00 0.00 177.43 176.66 1k9y n ASP 41 N -2.92 4.28 0.00 6.14 5.75 -1.26 -4.92 116.55 123.62 1k9y n ASP 41 Ca 0.03 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1k9y n ASP 41 Cb 0.43 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1k9y n ASP 41 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1k9y n ASN 42 N 1.00 -2.26 -4.86 -1.12 3.02 -0.50 -5.02 115.26 105.53 1k9y n ASN 42 Ca 0.23 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.47 1k9y n ASN 42 Cb 0.80 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 1k9y n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1k9y s SER 43 N -2.27 6.58 0.45 6.41 1.04 -1.26 -4.64 113.70 120.01 1k9y s SER 43 Ca 0.00 1.40 -0.20 0.00 0.48 0.00 0.00 55.95 57.62 1k9y s SER 43 Cb 0.00 -2.44 -0.10 0.00 0.10 0.00 0.00 66.02 63.58 1k9y s SER 43 CO 0.00 -0.52 0.97 -2.16 0.98 0.00 0.00 173.24 172.51 1k9y s PRO 44 N -3.99 4.12 -0.02 4.02 0.04 -1.26 -0.93 135.00 136.97 1k9y s PRO 44 Ca 0.56 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 1k9y s PRO 44 Cb -0.10 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1k9y s PRO 44 CO 0.31 -0.13 0.06 0.54 0.04 0.00 0.00 177.00 177.82 1k9y s VAL 45 N -2.20 0.00 0.38 -0.36 0.11 0.39 -4.89 120.40 113.83 1k9y s VAL 45 Ca 0.63 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.70 1k9y s VAL 45 Cb -0.10 -0.11 -0.07 0.00 -1.53 0.00 0.00 36.38 34.57 1k9y s VAL 45 CO 0.16 -0.02 0.02 0.42 -3.33 0.00 0.00 175.10 172.36 1k9y s THR 46 N -0.02 1.73 0.29 5.04 -4.23 -1.26 0.74 115.64 117.92 1k9y s THR 46 Ca -0.01 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1k9y s THR 46 Cb -0.01 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 71.19 1k9y s THR 46 CO 0.00 -0.01 1.72 0.74 -0.54 0.00 0.00 174.62 176.53 1k9y h THR 47 N 1.89 0.55 -0.53 3.99 2.02 -1.61 -1.54 112.91 117.68 1k9y h THR 47 Ca -0.43 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 66.63 1k9y h THR 47 Cb 1.24 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1k9y h THR 47 CO 0.77 0.09 0.29 1.23 0.37 0.00 0.00 175.52 178.27 1k9y h GLY 48 N 0.48 0.75 0.99 2.16 0.00 -1.96 0.56 103.07 106.05 1k9y h GLY 48 Ca 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1k9y h GLY 48 CO -0.48 0.15 0.11 -0.55 0.00 0.00 0.00 176.54 175.77 1k9y h ASP 49 N 0.56 0.20 -0.65 0.19 5.19 -1.66 -1.30 116.42 118.96 1k9y h ASP 49 Ca 0.23 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.55 1k9y h ASP 49 Cb 0.10 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1k9y h ASP 49 CO -0.14 0.16 0.12 1.88 -3.12 0.00 0.00 179.24 178.14 1k9y h TYR 50 N 0.22 1.13 -0.63 4.55 0.05 -1.07 -1.86 116.97 119.37 1k9y h TYR 50 Ca 0.06 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 1k9y h TYR 50 Cb -0.01 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 1k9y h TYR 50 CO -0.06 0.95 0.29 0.00 -1.05 0.00 0.00 178.16 178.29 1k9y h ALA 51 N 1.04 0.82 -0.51 3.88 0.00 -0.79 0.18 119.26 123.88 1k9y h ALA 51 Ca 0.20 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1k9y h ALA 51 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1k9y h ALA 51 CO 0.01 0.40 -0.12 0.00 0.00 0.00 0.00 179.25 179.54 1k9y h ALA 52 N 1.13 0.82 -0.42 0.00 0.00 -1.15 -1.18 119.26 118.46 1k9y h ALA 52 Ca 0.22 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1k9y h ALA 52 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1k9y h ALA 52 CO -0.03 0.66 -0.30 0.37 0.00 0.00 0.00 179.25 179.96 1k9y h GLN 53 N 0.86 0.92 0.25 0.00 4.15 -0.92 -1.83 115.11 118.53 1k9y h GLN 53 Ca 0.13 -0.43 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 1k9y h GLN 53 Cb 0.66 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1k9y h GLN 53 CO 0.05 1.08 -0.18 1.15 -1.93 0.00 0.00 178.83 179.00 1k9y h THR 54 N 0.77 0.62 -0.34 2.39 2.02 -0.65 -1.63 112.91 116.09 1k9y h THR 54 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 1k9y h THR 54 Cb 0.87 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1k9y h THR 54 CO 0.08 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.43 1k9y h ILE 55 N -0.43 0.82 -0.11 3.11 2.04 -1.16 -0.66 117.51 121.12 1k9y h ILE 55 Ca -0.02 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1k9y h ILE 55 Cb 0.37 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1k9y h ILE 55 CO 0.00 0.03 -0.09 0.40 0.00 0.00 0.00 178.15 178.50 1k9y h ILE 56 N 0.18 1.35 -0.26 -0.67 2.04 -1.28 -1.15 117.51 117.72 1k9y h ILE 56 Ca 0.16 -1.20 -0.11 0.00 1.00 0.00 0.00 64.86 64.71 1k9y h ILE 56 Cb 0.19 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1k9y h ILE 56 CO -0.22 0.34 -0.29 0.40 0.00 0.00 0.00 178.15 178.39 1k9y h ILE 57 N -0.14 1.28 -0.45 -0.67 2.04 -1.26 -1.16 117.51 117.15 1k9y h ILE 57 Ca 0.02 -1.35 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 1k9y h ILE 57 Cb 0.59 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1k9y h ILE 57 CO 0.02 0.43 -0.11 -1.13 0.00 0.00 0.00 178.15 177.36 1k9y h ASN 58 N 0.45 0.81 -0.64 1.72 -1.24 -1.06 0.17 115.58 115.80 1k9y h ASN 58 Ca 0.06 -0.25 -0.08 0.00 0.71 0.00 0.00 56.30 56.74 1k9y h ASN 58 Cb 0.73 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1k9y h ASN 58 CO 0.06 0.95 0.08 0.00 -1.29 0.00 0.00 177.43 177.23 1k9y h ALA 59 N 1.13 0.85 -0.16 1.57 0.00 -0.75 -1.22 119.26 120.68 1k9y h ALA 59 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1k9y h ALA 59 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1k9y h ALA 59 CO 0.04 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.79 1k9y h ILE 60 N 0.98 1.17 -0.28 0.00 2.04 -0.72 -2.51 117.51 118.19 1k9y h ILE 60 Ca 0.19 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1k9y h ILE 60 Cb 0.46 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1k9y h ILE 60 CO 0.02 0.16 0.00 0.11 0.00 0.00 0.00 178.15 178.44 1k9y h LYS 61 N 0.08 0.43 -0.11 2.37 1.79 -0.60 0.29 116.57 120.81 1k9y h LYS 61 Ca 0.05 -0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1k9y h LYS 61 Cb 0.21 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1k9y h LYS 61 CO -0.00 0.46 -0.34 0.77 -1.08 0.00 0.00 179.45 179.25 1k9y h SER 62 N 0.42 0.22 0.28 0.86 0.02 -1.11 -2.84 113.55 111.40 1k9y h SER 62 Ca 0.09 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1k9y h SER 62 Cb 0.27 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1k9y h SER 62 CO 0.01 0.56 -1.79 0.59 -1.14 0.00 0.00 176.83 175.06 1k9y n ASN 63 N -4.09 0.27 -3.01 3.07 3.02 -0.95 -4.77 115.26 108.80 1k9y n ASN 63 Ca -0.01 0.11 -0.16 0.00 -0.03 0.00 0.00 54.58 54.48 1k9y n ASN 63 Cb 0.42 1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 40.92 1k9y n ASN 63 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1k9y n PHE 64 N -2.48 -1.91 0.23 3.10 3.72 0.97 -5.05 117.46 116.05 1k9y n PHE 64 Ca -0.08 -2.63 0.15 0.00 -0.05 0.00 0.00 57.45 54.85 1k9y n PHE 64 Cb 0.67 0.63 0.82 0.00 -0.94 0.00 0.00 39.48 40.66 1k9y n PHE 64 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1k9y h PRO 65 N 4.34 0.00 -0.06 -1.08 0.11 -1.70 -1.27 132.00 132.33 1k9y h PRO 65 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1k9y h PRO 65 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1k9y h PRO 65 CO 0.35 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.89 1k9y n ASP 66 N -3.98 2.14 -4.78 -2.05 8.00 -1.26 -4.96 116.55 109.66 1k9y n ASP 66 Ca -0.00 -1.72 -0.37 0.00 0.71 0.00 0.00 54.79 53.41 1k9y n ASP 66 Cb 0.22 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 1k9y n ASP 66 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1k9y s ASP 67 N -1.92 6.77 0.11 -2.24 1.11 -0.48 -5.02 116.67 115.01 1k9y s ASP 67 Ca 0.34 2.07 -0.15 0.00 0.18 0.00 0.00 52.55 54.99 1k9y s ASP 67 Cb 0.20 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.54 1k9y s ASP 67 CO 0.31 -0.49 0.53 -0.54 1.18 0.00 0.00 175.17 176.17 1k9y s LYS 68 N -2.42 4.01 -0.04 8.23 1.02 -1.26 -4.98 119.74 124.31 1k9y s LYS 68 Ca 0.57 0.52 0.01 0.00 0.02 0.00 0.00 55.97 57.09 1k9y s LYS 68 Cb -0.23 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1k9y s LYS 68 CO 0.29 0.54 -0.04 0.08 -0.92 0.00 0.00 175.35 175.29 1k9y s VAL 69 N -1.35 0.48 -0.46 3.17 1.01 -1.25 -1.16 120.40 120.84 1k9y s VAL 69 Ca 0.34 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 1k9y s VAL 69 Cb -0.16 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.78 1k9y s VAL 69 CO 0.19 0.20 0.43 -0.69 0.00 0.00 0.00 175.10 175.22 1k9y s VAL 70 N 0.75 5.16 0.08 2.92 1.01 -0.13 -1.63 120.40 128.55 1k9y s VAL 70 Ca -0.10 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1k9y s VAL 70 Cb -0.13 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1k9y s VAL 70 CO -0.00 -0.56 -0.22 -0.83 0.00 0.00 0.00 175.10 173.49 1k9y s GLY 71 N 2.38 1.55 0.22 4.51 0.00 0.11 -0.37 107.32 115.73 1k9y s GLY 71 Ca 0.07 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.41 1k9y s GLY 71 CO 0.09 -1.23 1.87 -2.09 0.00 0.00 0.00 173.10 171.74 1k9y h GLU 72 N 4.31 1.15 -6.24 2.90 4.81 -1.65 -3.44 114.58 116.42 1k9y h GLU 72 Ca -0.48 -0.11 -0.46 0.00 -0.13 0.00 0.00 59.36 58.18 1k9y h GLU 72 Cb 1.16 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1k9y h GLU 72 CO 0.44 0.81 -0.41 -1.21 -0.73 0.00 0.00 179.01 177.91 1k9y s GLU 73 N -5.96 3.17 0.05 1.92 0.41 -1.26 -5.13 118.70 111.90 1k9y s GLU 73 Ca -0.13 -0.95 0.05 0.00 -0.41 0.00 0.00 54.97 53.53 1k9y s GLU 73 Cb 0.16 -2.77 -0.02 0.00 -1.78 0.00 0.00 34.13 29.71 1k9y s GLU 73 CO 0.81 0.25 -0.14 0.45 -0.49 0.00 0.00 175.26 176.14 1k9y s SER 74 N -4.03 1.64 0.00 -0.19 0.15 -1.26 -4.78 113.70 105.22 1k9y s SER 74 Ca 0.39 -0.52 0.28 0.00 0.70 0.00 0.00 55.95 56.80 1k9y s SER 74 Cb -0.09 -0.08 1.14 0.00 -1.71 0.00 0.00 66.02 65.28 1k9y s SER 74 CO 0.29 -0.02 1.81 -1.54 1.20 0.00 0.00 173.24 174.98 1k9y n SER 75 N 1.63 0.50 -4.70 5.45 3.41 -1.26 -4.93 113.62 113.72 1k9y n SER 75 Ca -0.19 -0.52 -0.44 0.00 -0.26 0.00 0.00 58.87 57.45 1k9y n SER 75 Cb 0.54 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1k9y n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1k9y n SER 76 N -0.99 3.57 0.00 4.04 7.64 -1.26 -1.22 113.62 125.40 1k9y n SER 76 Ca 0.13 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1k9y n SER 76 Cb 0.29 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1k9y n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k9y n GLY 77 N 3.59 2.65 3.74 0.23 0.00 -1.26 -5.01 105.19 109.13 1k9y n GLY 77 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1k9y n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k9y s LEU 78 N 0.00 4.36 0.67 0.99 1.43 -0.36 -4.99 118.68 120.78 1k9y s LEU 78 Ca 0.00 2.84 -0.14 0.00 -1.03 0.00 0.00 54.13 55.80 1k9y s LEU 78 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1k9y s LEU 78 CO 0.00 -0.87 1.09 -0.94 0.23 0.00 0.00 176.35 175.87 1k9y s SER 79 N 0.66 5.13 0.36 2.29 1.04 -1.26 -4.86 113.70 117.06 1k9y s SER 79 Ca 0.65 1.91 0.06 0.00 0.48 0.00 0.00 55.95 59.05 1k9y s SER 79 Cb -0.46 -2.54 0.75 0.00 0.10 0.00 0.00 66.02 63.87 1k9y s SER 79 CO 0.42 -1.62 1.96 0.44 0.98 0.00 0.00 173.24 175.43 1k9y h ASP 80 N -0.17 0.65 -0.51 7.02 3.32 -1.98 0.90 116.42 125.65 1k9y h ASP 80 Ca -0.46 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 1k9y h ASP 80 Cb 1.24 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1k9y h ASP 80 CO 0.54 0.42 0.04 0.00 -1.72 0.00 0.00 179.24 178.53 1k9y h ALA 81 N 1.61 1.02 -0.16 3.45 0.00 -1.99 0.35 119.26 123.55 1k9y h ALA 81 Ca 0.31 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1k9y h ALA 81 Cb 0.26 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1k9y h ALA 81 CO -0.10 0.61 -0.54 0.35 0.00 0.00 0.00 179.25 179.57 1k9y h PHE 82 N 0.86 0.85 -0.80 0.00 3.57 -1.62 -2.93 116.94 116.87 1k9y h PHE 82 Ca 0.17 -0.35 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 1k9y h PHE 82 Cb 0.45 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1k9y h PHE 82 CO 0.03 1.14 0.38 0.28 -2.23 0.00 0.00 178.31 177.90 1k9y h VAL 83 N 0.32 1.25 -0.27 1.41 2.07 -0.61 -1.91 116.25 118.50 1k9y h VAL 83 Ca -0.02 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1k9y h VAL 83 Cb 1.17 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1k9y h VAL 83 CO 0.11 0.31 0.19 0.77 0.02 0.00 0.00 177.57 178.97 1k9y h SER 84 N 1.15 0.08 -0.29 0.57 4.64 -0.29 -0.77 113.55 118.63 1k9y h SER 84 Ca 0.28 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.41 1k9y h SER 84 Cb 0.13 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1k9y h SER 84 CO -0.03 0.05 -0.54 1.23 -0.87 0.00 0.00 176.83 176.67 1k9y h GLY 85 N 0.09 0.96 0.82 -0.77 0.00 -1.20 -0.42 103.07 102.55 1k9y h GLY 85 Ca 0.12 -1.12 0.02 0.00 0.00 0.00 0.00 47.33 46.35 1k9y h GLY 85 CO -0.01 1.01 0.03 -2.22 0.00 0.00 0.00 176.54 175.34 1k9y h ILE 86 N 0.67 0.93 -0.67 2.60 2.04 -0.47 -2.19 117.51 120.42 1k9y h ILE 86 Ca 0.02 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1k9y h ILE 86 Cb 1.15 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1k9y h ILE 86 CO 0.12 0.02 0.44 0.25 0.00 0.00 0.00 178.15 178.97 1k9y h LEU 87 N 0.09 0.77 -0.78 1.44 5.85 -1.06 -2.01 115.31 119.61 1k9y h LEU 87 Ca 0.07 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1k9y h LEU 87 Cb 0.07 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1k9y h LEU 87 CO -0.10 0.56 0.52 -1.13 -0.34 0.00 0.00 178.44 177.96 1k9y h ASN 88 N 0.90 0.90 -0.01 1.25 -1.24 -0.95 -0.28 115.58 116.15 1k9y h ASN 88 Ca 0.24 -0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.12 1k9y h ASN 88 Cb -0.09 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 1k9y h ASN 88 CO -0.05 0.65 -0.34 -0.33 -1.29 0.00 0.00 177.43 176.07 1k9y h GLU 89 N 1.06 0.49 -0.28 6.67 4.39 -1.01 0.90 114.58 126.81 1k9y h GLU 89 Ca 0.29 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1k9y h GLU 89 Cb -0.12 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1k9y h GLU 89 CO -0.06 0.77 0.07 0.82 -1.16 0.00 0.00 179.01 179.45 1k9y h ILE 90 N 0.42 1.21 -0.19 3.13 2.04 -0.85 -1.42 117.51 121.85 1k9y h ILE 90 Ca 0.05 -0.70 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 1k9y h ILE 90 Cb 0.80 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1k9y h ILE 90 CO 0.06 0.23 -0.39 0.11 0.00 0.00 0.00 178.15 178.16 1k9y h LYS 91 N 0.28 0.43 -0.23 2.37 1.79 -0.74 -0.16 116.57 120.31 1k9y h LYS 91 Ca 0.09 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1k9y h LYS 91 Cb 0.28 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1k9y h LYS 91 CO 0.00 0.76 0.12 0.00 -1.08 0.00 0.00 179.45 179.25 1k9y h ALA 92 N 1.22 0.29 -0.51 3.86 0.00 -0.75 -2.24 119.26 121.13 1k9y h ALA 92 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1k9y h ALA 92 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1k9y h ALA 92 CO 0.07 -0.18 0.09 -0.97 0.00 0.00 0.00 179.25 178.26 1k9y h ASN 93 N 0.26 0.75 -0.95 0.00 -1.24 -1.01 -2.45 115.58 110.93 1k9y h ASN 93 Ca 0.08 -0.14 0.11 0.00 0.71 0.00 0.00 56.30 57.06 1k9y h ASN 93 Cb 0.07 -0.20 -0.08 0.00 0.73 0.00 0.00 38.32 38.84 1k9y h ASN 93 CO -0.01 0.76 0.58 0.44 -1.29 0.00 0.00 177.43 177.91 1k9y h ASP 94 N 0.77 0.85 0.03 1.15 3.32 -0.72 0.21 116.42 122.03 1k9y h ASP 94 Ca 0.16 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 1k9y h ASP 94 Cb 0.33 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1k9y h ASP 94 CO 0.00 0.46 -0.48 -0.08 -1.72 0.00 0.00 179.24 177.43 1k9y h GLU 95 N 0.93 0.52 -0.05 3.56 4.22 -0.93 0.36 114.58 123.19 1k9y h GLU 95 Ca 0.46 -0.29 -0.10 0.00 0.08 0.00 0.00 59.36 59.51 1k9y h GLU 95 Cb 0.44 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1k9y h GLU 95 CO -0.26 0.88 -0.37 0.28 -2.18 0.00 0.00 179.01 177.37 1k9y h VAL 96 N 0.41 1.44 -0.08 0.32 2.07 -1.31 -3.30 116.25 115.80 1k9y h VAL 96 Ca 0.02 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1k9y h VAL 96 Cb 0.99 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1k9y h VAL 96 CO 0.09 0.52 -0.01 0.22 0.02 0.00 0.00 177.57 178.41 1k9y h TYR 97 N -0.17 0.16 -0.36 1.57 5.03 -0.42 -2.98 116.97 119.80 1k9y h TYR 97 Ca -0.03 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1k9y h TYR 97 Cb 1.04 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.27 1k9y h TYR 97 CO 0.14 0.43 0.13 -0.91 -1.32 0.00 0.00 178.16 176.63 1k9y h ASN 98 N -0.16 0.45 -0.72 -2.11 4.21 -1.10 0.43 115.58 116.58 1k9y h ASN 98 Ca 0.02 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1k9y h ASN 98 Cb 0.37 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.42 1k9y h ASN 98 CO 0.01 0.43 0.28 0.11 -1.29 0.00 0.00 177.43 176.96 1k9y h LYS 99 N 0.50 1.08 0.00 0.81 1.57 -1.62 -3.37 116.57 115.54 1k9y h LYS 99 Ca 0.12 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1k9y h LYS 99 Cb 0.13 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1k9y h LYS 99 CO -0.01 0.89 -1.61 0.09 -0.57 0.00 0.00 179.45 178.24 1k9y n ASN 100 N -4.35 2.93 0.00 0.86 3.02 -0.86 -4.83 115.26 112.03 1k9y n ASN 100 Ca 0.06 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1k9y n ASN 100 Cb 0.18 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1k9y n ASN 100 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1k9y n TYR 101 N -2.47 0.00 -1.77 3.10 4.01 0.14 -5.09 117.16 115.08 1k9y n TYR 101 Ca -0.16 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.18 1k9y n TYR 101 Cb 0.76 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.81 1k9y n TYR 101 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1k9y s LYS 102 N -0.11 3.69 -0.20 -0.72 2.20 -1.10 -4.97 119.74 118.53 1k9y s LYS 102 Ca 0.00 2.46 -0.08 0.00 -0.36 0.00 0.00 55.97 57.99 1k9y s LYS 102 Cb 0.00 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 1k9y s LYS 102 CO 0.00 -0.83 0.08 0.21 -0.36 0.00 0.00 175.35 174.45 1k9y s LYS 103 N -2.45 3.94 0.57 4.03 2.47 -1.26 -5.06 119.74 121.98 1k9y s LYS 103 Ca 0.61 -0.35 -0.20 0.00 -1.56 0.00 0.00 55.97 54.46 1k9y s LYS 103 Cb -0.45 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 1k9y s LYS 103 CO 0.58 0.17 1.17 -3.47 0.16 0.00 0.00 175.35 173.96 1k9y n ASP 104 N 3.86 1.75 -3.84 1.43 2.03 -1.26 -2.98 116.55 117.53 1k9y n ASP 104 Ca -0.16 0.90 -0.29 0.00 0.52 0.00 0.00 54.79 55.76 1k9y n ASP 104 Cb 0.52 -1.48 0.04 0.00 -0.72 0.00 0.00 41.12 39.48 1k9y n ASP 104 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1k9y n ASP 105 N -0.88 -5.00 -3.88 1.67 2.03 -1.26 -4.98 116.55 104.25 1k9y n ASP 105 Ca 0.12 -0.73 -0.19 0.00 0.52 0.00 0.00 54.79 54.51 1k9y n ASP 105 Cb 0.45 -4.13 -0.16 0.00 -0.72 0.00 0.00 41.12 36.57 1k9y n ASP 105 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1k9y s PHE 106 N -3.32 0.59 -0.22 -0.67 5.36 -1.16 -5.15 117.98 113.42 1k9y s PHE 106 Ca 0.63 -0.13 -0.08 0.00 -0.96 0.00 0.00 56.93 56.39 1k9y s PHE 106 Cb -0.31 -0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 41.79 1k9y s PHE 106 CO 0.81 -0.15 0.08 -0.51 -1.46 0.00 0.00 175.22 173.99 1k9y s LEU 107 N 0.78 3.71 0.19 6.12 1.43 -1.26 -4.91 118.68 124.74 1k9y s LEU 107 Ca -0.10 -0.03 0.22 0.00 -1.03 0.00 0.00 54.13 53.20 1k9y s LEU 107 Cb -0.13 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1k9y s LEU 107 CO -0.00 0.08 1.02 0.49 0.23 0.00 0.00 176.35 178.16 1k9y n PHE 108 N 4.18 0.94 -3.68 0.29 3.72 -1.26 -4.78 117.46 116.87 1k9y n PHE 108 Ca -0.16 0.27 -0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1k9y n PHE 108 Cb 0.52 -0.95 -0.06 0.00 -0.94 0.00 0.00 39.48 38.05 1k9y n PHE 108 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1k9y s THR 109 N -3.36 0.07 0.00 4.37 -4.23 -1.26 -3.37 115.64 107.85 1k9y s THR 109 Ca -0.01 -0.58 -0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1k9y s THR 109 Cb 0.10 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1k9y s THR 109 CO 0.80 -0.32 0.00 -0.46 -0.54 0.00 0.00 174.62 174.10 1k9y n ASN 110 N 0.23 -0.00 -0.28 3.99 0.23 -0.74 -4.98 115.26 113.70 1k9y n ASN 110 Ca -0.17 -1.00 0.03 0.00 -0.53 0.00 0.00 54.58 52.90 1k9y n ASN 110 Cb 0.61 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.48 1k9y n ASN 110 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1k9y h ASP 111 N 0.00 0.61 0.47 0.53 3.32 -1.99 -2.10 116.42 117.27 1k9y h ASP 111 Ca -0.00 0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.89 1k9y h ASP 111 Cb 0.00 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1k9y h ASP 111 CO 0.00 0.34 -0.92 -0.61 -1.72 0.00 0.00 179.24 176.33 1k9y h GLN 112 N 0.73 0.30 -2.60 3.56 4.15 -1.99 -3.38 115.11 115.88 1k9y h GLN 112 Ca 0.39 -0.33 -0.60 0.00 0.77 0.00 0.00 58.65 58.88 1k9y h GLN 112 Cb 0.39 0.10 -0.40 0.00 0.21 0.00 0.00 27.48 27.78 1k9y h GLN 112 CO -0.26 1.03 -0.79 1.19 -1.93 0.00 0.00 178.83 178.07 1k9y n PHE 113 N -3.69 1.19 0.77 3.99 3.72 -1.06 -4.97 117.46 117.41 1k9y n PHE 113 Ca -0.05 -3.81 0.13 0.00 -0.05 0.00 0.00 57.45 53.67 1k9y n PHE 113 Cb 0.83 -0.22 0.33 0.00 -0.94 0.00 0.00 39.48 39.48 1k9y n PHE 113 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1k9y n PRO 114 N 2.18 0.16 -3.65 -1.08 -0.04 -0.81 -1.80 135.00 129.96 1k9y n PRO 114 Ca 0.25 0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.51 1k9y n PRO 114 Cb 0.43 -1.63 0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1k9y n PRO 114 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1k9y n LEU 115 N -1.88 -3.02 -0.00 1.53 7.94 -1.26 -4.81 117.00 115.50 1k9y n LEU 115 Ca 0.05 -0.91 -0.00 0.00 -1.11 0.00 0.00 56.01 54.03 1k9y n LEU 115 Cb 0.39 -2.34 -0.00 0.00 0.53 0.00 0.00 43.42 42.00 1k9y n LEU 115 CO 0.33 0.29 -0.50 0.29 -1.11 0.00 0.00 177.39 176.68 1k9y n LYS 116 N -3.72 2.85 -4.23 1.96 5.02 -1.26 -5.04 118.16 113.74 1k9y n LYS 116 Ca -0.11 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.92 1k9y n LYS 116 Cb 0.59 -1.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.52 1k9y n LYS 116 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k9y s SER 117 N -3.30 4.31 0.34 4.39 1.04 -1.26 -5.01 113.70 114.21 1k9y s SER 117 Ca -0.00 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.31 1k9y s SER 117 Cb 0.00 -0.44 0.62 0.00 0.10 0.00 0.00 66.02 66.30 1k9y s SER 117 CO 0.00 -0.53 1.95 -0.07 0.98 0.00 0.00 173.24 175.57 1k9y h LEU 118 N 1.49 0.63 -0.75 2.42 3.38 -1.99 -2.21 115.31 118.28 1k9y h LEU 118 Ca -0.43 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 1k9y h LEU 118 Cb 1.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1k9y h LEU 118 CO 0.72 0.55 -0.54 -0.33 0.09 0.00 0.00 178.44 178.93 1k9y h GLU 119 N 0.70 0.24 -0.19 1.13 4.39 -2.00 -2.56 114.58 116.30 1k9y h GLU 119 Ca 0.17 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1k9y h GLU 119 Cb 0.10 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1k9y h GLU 119 CO -0.02 0.72 0.06 -0.44 -1.16 0.00 0.00 179.01 178.16 1k9y h ASP 120 N 0.18 0.06 -0.36 1.42 3.32 -1.81 -0.74 116.42 118.49 1k9y h ASP 120 Ca 0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1k9y h ASP 120 Cb 1.01 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1k9y h ASP 120 CO 0.08 0.06 0.23 0.58 -1.72 0.00 0.00 179.24 178.47 1k9y h VAL 121 N 0.15 1.07 -0.15 -1.35 2.07 -1.18 -0.47 116.25 116.39 1k9y h VAL 121 Ca 0.08 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1k9y h VAL 121 Cb 0.05 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1k9y h VAL 121 CO -0.09 0.08 0.04 0.03 0.02 0.00 0.00 177.57 177.66 1k9y h ARG 122 N 0.46 0.10 -0.89 1.57 3.08 -1.37 -1.41 114.38 115.93 1k9y h ARG 122 Ca 0.14 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1k9y h ARG 122 Cb -0.03 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1k9y h ARG 122 CO -0.05 0.07 0.49 0.37 -1.07 0.00 0.00 179.97 179.78 1k9y h GLN 123 N 0.10 1.23 -0.28 0.04 4.15 -0.72 -2.18 115.11 117.46 1k9y h GLN 123 Ca 0.06 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1k9y h GLN 123 Cb 0.05 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1k9y h GLN 123 CO -0.07 0.90 -0.10 0.82 -1.93 0.00 0.00 178.83 178.44 1k9y h ILE 124 N 1.24 1.29 -0.86 2.39 1.08 -0.88 -2.06 117.51 119.71 1k9y h ILE 124 Ca 0.31 -1.17 -0.02 0.00 -0.39 0.00 0.00 64.86 63.60 1k9y h ILE 124 Cb 0.02 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 1k9y h ILE 124 CO -0.05 0.37 0.46 0.40 -0.69 0.00 0.00 178.15 178.64 1k9y h ILE 125 N 0.32 1.25 0.00 -0.67 2.04 -1.06 -2.26 117.51 117.12 1k9y h ILE 125 Ca 0.07 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1k9y h ILE 125 Cb 0.60 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1k9y h ILE 125 CO 0.04 0.29 0.00 0.47 0.00 0.00 0.00 178.15 178.94 1k9y n ASP 126 N -4.36 0.00 0.00 1.72 8.00 -0.84 -1.82 116.55 119.26 1k9y n ASP 126 Ca 0.09 0.13 0.03 0.00 0.71 0.00 0.00 54.79 55.75 1k9y n ASP 126 Cb 0.10 -0.37 0.15 0.00 -0.02 0.00 0.00 41.12 40.98 1k9y n ASP 126 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1k9y n PHE 127 N -1.37 0.00 1.78 1.24 3.72 -0.80 -2.37 117.46 119.66 1k9y n PHE 127 Ca 0.11 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1k9y n PHE 127 Cb 0.26 -0.48 0.13 0.00 -0.94 0.00 0.00 39.48 38.45 1k9y n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k9y n GLY 128 N -0.78 -0.89 0.93 1.37 0.00 -0.75 -3.80 105.19 101.26 1k9y n GLY 128 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1k9y n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k9y n ASN 129 N -0.58 2.65 -4.76 1.61 6.94 -1.00 -0.72 115.26 119.41 1k9y n ASN 129 Ca 0.03 -2.21 -0.37 0.00 -0.02 0.00 0.00 54.58 52.02 1k9y n ASN 129 Cb 0.01 -0.40 0.02 0.00 -2.36 0.00 0.00 39.78 37.06 1k9y n ASN 129 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1k9y s TYR 130 N -1.67 2.48 -1.73 -2.53 5.04 -0.65 -4.95 117.35 113.35 1k9y s TYR 130 Ca 0.27 1.49 0.20 0.00 -2.44 0.00 0.00 57.07 56.59 1k9y s TYR 130 Cb 0.17 -3.51 0.55 0.00 0.35 0.00 0.00 41.96 39.51 1k9y s TYR 130 CO 0.13 -2.17 1.46 0.39 -1.34 0.00 0.00 175.55 174.02 1k9y n GLU 131 N -1.23 2.74 0.00 4.97 -0.58 -1.26 -4.50 120.64 120.79 1k9y n GLU 131 Ca 0.12 -2.49 0.00 0.00 -0.42 0.00 0.00 57.16 54.36 1k9y n GLU 131 Cb 0.48 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1k9y n GLU 131 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k9y n GLY 132 N 1.36 -0.44 0.00 0.62 0.00 -1.26 -3.11 105.19 102.36 1k9y n GLY 132 Ca 0.21 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1k9y n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9y n GLY 133 N 0.00 0.58 0.11 -0.02 0.00 -1.26 -4.77 105.19 99.83 1k9y n GLY 133 Ca 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1k9y n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k9y h ARG 134 N 7.57 0.00 -6.73 1.61 9.65 -1.79 -3.38 114.38 121.31 1k9y h ARG 134 Ca 0.00 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.19 1k9y h ARG 134 Cb 0.00 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 28.36 1k9y h ARG 134 CO 0.00 0.67 -0.84 0.15 2.80 0.00 0.00 179.97 182.75 1k9y s LYS 135 N -2.86 1.77 0.79 0.20 1.02 -1.26 -3.29 119.74 116.11 1k9y s LYS 135 Ca 0.02 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1k9y s LYS 135 Cb 0.08 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1k9y s LYS 135 CO 0.78 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 176.11 1k9y n GLY 136 N 1.28 -2.13 3.64 -3.33 0.00 -1.26 -4.70 105.19 98.69 1k9y n GLY 136 Ca -0.17 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 1k9y n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9y s ARG 137 N -0.15 3.72 0.05 1.61 3.52 -1.26 -0.83 118.95 125.60 1k9y s ARG 137 Ca 0.00 -0.36 -0.19 0.00 -0.13 0.00 0.00 55.73 55.05 1k9y s ARG 137 Cb 0.00 -3.09 0.04 0.00 -1.56 0.00 0.00 34.95 30.34 1k9y s ARG 137 CO 0.00 0.39 0.44 -0.59 -0.81 0.00 0.00 175.30 174.72 1k9y s PHE 138 N 0.03 -0.30 0.33 5.12 -0.71 -0.48 -4.54 117.98 117.43 1k9y s PHE 138 Ca 0.05 0.28 -0.04 0.00 -1.04 0.00 0.00 56.93 56.17 1k9y s PHE 138 Cb -0.12 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 1k9y s PHE 138 CO 0.01 -0.59 0.59 -1.58 -1.34 0.00 0.00 175.22 172.31 1k9y s TRP 139 N -2.50 3.49 -0.07 3.49 0.52 -0.31 -0.20 118.94 123.37 1k9y s TRP 139 Ca -0.05 0.61 -0.02 0.00 0.02 0.00 0.00 56.10 56.66 1k9y s TRP 139 Cb -0.01 -2.09 0.04 0.00 -1.15 0.00 0.00 33.47 30.25 1k9y s TRP 139 CO -0.02 0.10 0.06 0.00 0.02 0.00 0.00 176.95 177.10 1k9y s LEU 141 N 2.13 0.98 -0.37 0.00 2.96 0.51 -0.72 118.68 124.17 1k9y s LEU 141 Ca 0.04 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1k9y s LEU 141 Cb -0.13 -0.55 0.09 0.00 0.50 0.00 0.00 46.19 46.10 1k9y s LEU 141 CO -0.04 -0.13 0.12 -0.62 -1.32 0.00 0.00 176.35 174.36 1k9y s ASP 142 N 1.55 5.08 0.17 3.68 -1.08 -0.26 -1.83 116.67 123.99 1k9y s ASP 142 Ca -0.00 -1.83 -0.11 0.00 -0.52 0.00 0.00 52.55 50.09 1k9y s ASP 142 Cb -0.13 -1.77 0.07 0.00 -1.46 0.00 0.00 42.92 39.63 1k9y s ASP 142 CO -0.04 -0.44 1.67 1.55 0.52 0.00 0.00 175.17 178.43 1k9y h PRO 143 N 7.97 0.98 -4.02 4.34 0.13 -1.86 -0.93 132.00 138.61 1k9y h PRO 143 Ca -0.14 -0.25 -0.56 0.00 -0.87 0.00 0.00 66.00 64.18 1k9y h PRO 143 Cb 1.05 -0.12 -0.39 0.00 0.13 0.00 0.00 31.00 31.67 1k9y h PRO 143 CO 0.62 0.91 -0.78 0.42 -0.23 0.00 0.00 178.00 178.95 1k9y s ILE 144 N -5.25 1.05 -0.07 -3.56 1.01 -1.26 -4.40 121.20 108.73 1k9y s ILE 144 Ca -0.12 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.54 1k9y s ILE 144 Cb 0.13 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1k9y s ILE 144 CO 0.83 -0.05 0.54 -0.62 0.00 0.00 0.00 174.94 175.63 1k9y s ASP 145 N 1.63 6.82 0.00 3.58 2.15 0.13 -4.18 116.67 126.81 1k9y s ASP 145 Ca -0.02 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.94 1k9y s ASP 145 Cb -0.17 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1k9y s ASP 145 CO -0.07 0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1k9y n GLY 146 N 2.88 0.87 0.37 2.66 0.00 -1.26 -1.70 105.19 109.01 1k9y n GLY 146 Ca -0.07 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1k9y n GLY 146 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k9y h THR 147 N 0.00 0.82 -0.40 2.61 2.02 -1.92 0.14 112.91 116.19 1k9y h THR 147 Ca 0.00 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 1k9y h THR 147 Cb 0.86 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1k9y h THR 147 CO 0.00 0.08 -0.14 0.11 0.37 0.00 0.00 175.52 175.95 1k9y h LYS 148 N 0.46 0.72 -0.13 6.66 1.57 -1.93 -0.98 116.57 122.95 1k9y h LYS 148 Ca 0.36 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1k9y h LYS 148 Cb 0.77 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1k9y h LYS 148 CO -0.12 0.83 0.07 0.78 -0.57 0.00 0.00 179.45 180.43 1k9y h GLY 149 N 0.98 0.20 -0.19 3.86 0.00 -1.23 -1.78 103.07 104.91 1k9y h GLY 149 Ca 0.11 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.45 1k9y h GLY 149 CO 0.04 0.09 -0.19 -2.75 0.00 0.00 0.00 176.54 173.73 1k9y h PHE 150 N 0.10 -0.46 0.00 5.60 3.57 -0.94 0.28 116.94 125.08 1k9y h PHE 150 Ca 0.04 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1k9y h PHE 150 Cb 0.10 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1k9y h PHE 150 CO -0.04 -0.29 0.00 -0.07 -2.23 0.00 0.00 178.31 175.69 1k9y h LEU 151 N -0.06 0.00 -0.40 0.59 3.38 -1.07 -2.02 115.31 115.73 1k9y h LEU 151 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1k9y h LEU 151 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1k9y h LEU 151 CO -0.59 0.00 -0.18 0.54 0.09 0.00 0.00 178.44 178.29 1k9y n ARG 152 N -3.03 0.81 -1.09 1.13 1.74 -0.32 -4.87 116.66 111.01 1k9y n ARG 152 Ca 0.01 -0.40 -0.03 0.00 -0.77 0.00 0.00 57.85 56.65 1k9y n ARG 152 Cb 0.31 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 1k9y n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9y n GLY 153 N 1.31 0.63 0.00 -0.13 0.00 -0.73 -5.02 105.19 101.25 1k9y n GLY 153 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1k9y n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k9y n GLU 154 N -2.86 3.41 -2.43 1.61 1.02 -0.06 -5.01 120.64 116.31 1k9y n GLU 154 Ca -0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.78 1k9y n GLU 154 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.50 1k9y n GLU 154 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1k9y s GLN 155 N 4.08 3.88 0.20 3.49 -1.52 -1.26 -4.47 119.66 124.05 1k9y s GLN 155 Ca 0.00 1.06 -0.23 0.00 -1.95 0.00 0.00 55.36 54.24 1k9y s GLN 155 Cb 0.00 -2.12 0.05 0.00 -0.22 0.00 0.00 33.01 30.71 1k9y s GLN 155 CO 0.00 -0.33 0.85 -0.59 -0.25 0.00 0.00 175.29 174.97 1k9y s PHE 156 N -2.45 -0.17 -0.02 0.91 -0.71 -1.26 -3.59 117.98 110.68 1k9y s PHE 156 Ca 0.61 -0.19 -0.12 0.00 -1.04 0.00 0.00 56.93 56.19 1k9y s PHE 156 Cb -0.11 0.66 0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1k9y s PHE 156 CO 0.28 -0.98 0.25 0.00 -1.34 0.00 0.00 175.22 173.43 1k9y s ALA 157 N -3.54 -0.63 -0.27 1.99 0.00 -0.69 -4.27 121.76 114.34 1k9y s ALA 157 Ca 0.11 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 1k9y s ALA 157 Cb -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 1k9y s ALA 157 CO 0.03 -0.23 0.06 0.08 0.00 0.00 0.00 175.76 175.71 1k9y s VAL 158 N -1.17 3.98 -0.13 0.00 1.01 0.70 0.21 120.40 125.00 1k9y s VAL 158 Ca -0.12 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1k9y s VAL 158 Cb -0.06 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1k9y s VAL 158 CO 0.03 0.19 -0.16 0.00 0.00 0.00 0.00 175.10 175.17 1k9y s LEU 160 N 1.16 1.71 0.09 0.00 2.96 -0.05 -1.10 118.68 123.45 1k9y s LEU 160 Ca -0.02 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1k9y s LEU 160 Cb -0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.42 1k9y s LEU 160 CO -0.05 -0.03 0.06 0.00 -1.32 0.00 0.00 176.35 175.01 1k9y s ALA 161 N 0.33 0.45 -0.15 5.97 0.00 0.10 -0.19 121.76 128.27 1k9y s ALA 161 Ca -0.03 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.79 1k9y s ALA 161 Cb -0.05 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1k9y s ALA 161 CO -0.01 -0.46 -0.20 -1.17 0.00 0.00 0.00 175.76 173.92 1k9y s LEU 162 N -2.95 2.20 -0.01 0.00 2.96 -0.17 -0.05 118.68 120.65 1k9y s LEU 162 Ca 0.13 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1k9y s LEU 162 Cb 0.07 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1k9y s LEU 162 CO -0.06 0.07 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.37 1k9y s ILE 163 N 0.88 3.86 -0.07 6.68 1.01 0.72 -0.55 121.20 133.74 1k9y s ILE 163 Ca -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1k9y s ILE 163 Cb -0.15 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.68 1k9y s ILE 163 CO -0.03 0.43 0.13 -0.69 0.00 0.00 0.00 174.94 174.78 1k9y s VAL 164 N -1.00 -0.16 -1.47 2.92 1.01 -0.23 -1.38 120.40 120.09 1k9y s VAL 164 Ca 0.17 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1k9y s VAL 164 Cb -0.11 -0.24 0.07 0.00 0.00 0.00 0.00 36.38 36.10 1k9y s VAL 164 CO 0.07 0.13 0.79 0.47 0.00 0.00 0.00 175.10 176.56 1k9y n ASP 165 N 4.93 -4.71 0.00 3.32 8.00 -0.01 -1.99 116.55 126.08 1k9y n ASP 165 Ca -0.12 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1k9y n ASP 165 Cb 0.50 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1k9y n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9y n GLY 166 N -1.52 0.74 3.35 0.44 0.00 -1.21 -4.82 105.19 102.17 1k9y n GLY 166 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1k9y n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9y s VAL 167 N -3.00 2.59 -0.19 1.61 1.01 -0.84 -3.09 120.40 118.49 1k9y s VAL 167 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 1k9y s VAL 167 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1k9y s VAL 167 CO 0.00 0.56 1.19 -0.69 0.00 0.00 0.00 175.10 176.17 1k9y s VAL 168 N -0.16 4.40 -0.08 2.92 1.01 -1.26 -1.07 120.40 126.16 1k9y s VAL 168 Ca -0.02 1.69 0.21 0.00 0.00 0.00 0.00 61.98 63.86 1k9y s VAL 168 Cb -0.14 -4.10 -0.29 0.00 0.00 0.00 0.00 36.38 31.85 1k9y s VAL 168 CO 0.04 -0.17 0.46 0.00 0.00 0.00 0.00 175.10 175.43 1k9y n GLN 169 N 6.55 0.66 -3.74 2.72 1.13 0.29 -4.79 117.38 120.21 1k9y n GLN 169 Ca 0.13 -0.12 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1k9y n GLN 169 Cb 0.45 -1.56 -0.11 0.00 0.11 0.00 0.00 30.24 29.14 1k9y n GLN 169 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k9y s LEU 170 N -4.82 0.45 0.02 1.08 0.20 -1.16 -0.66 118.68 113.79 1k9y s LEU 170 Ca -0.08 0.77 -0.03 0.00 0.69 0.00 0.00 54.13 55.48 1k9y s LEU 170 Cb 0.12 1.27 -0.01 0.00 -0.43 0.00 0.00 46.19 47.13 1k9y s LEU 170 CO 0.88 -0.14 0.03 -0.83 -0.29 0.00 0.00 176.35 176.00 1k9y s GLY 171 N 0.44 0.19 -0.20 7.98 0.00 -0.34 -1.00 107.32 114.39 1k9y s GLY 171 Ca -0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.15 1k9y s GLY 171 CO -0.02 -0.57 0.44 0.00 0.00 0.00 0.00 173.10 172.95 1k9y s ILE 173 N 2.40 1.37 -0.22 0.00 1.01 -0.33 -0.87 121.20 124.56 1k9y s ILE 173 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 1k9y s ILE 173 Cb -0.11 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1k9y s ILE 173 CO -0.13 0.42 0.10 -0.83 0.00 0.00 0.00 174.94 174.50 1k9y s GLY 174 N 1.25 1.92 -0.76 6.18 0.00 0.27 -0.77 107.32 115.40 1k9y s GLY 174 Ca -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1k9y s GLY 174 CO -0.05 0.27 0.59 0.00 0.00 0.00 0.00 173.10 173.92 1k9y h PRO 176 N 5.95 0.00 -0.24 0.00 0.11 -1.74 -2.69 132.00 133.38 1k9y h PRO 176 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1k9y h PRO 176 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1k9y h PRO 176 CO 0.77 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.65 1k9y n ASN 177 N -2.45 2.62 -4.65 -2.05 3.02 -1.26 -2.68 115.26 107.81 1k9y n ASN 177 Ca 0.01 -1.94 -0.43 0.00 -0.03 0.00 0.00 54.58 52.18 1k9y n ASN 177 Cb 0.18 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1k9y n ASN 177 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1k9y s LEU 178 N -0.97 4.04 -0.28 3.41 2.96 -1.06 -4.92 118.68 121.85 1k9y s LEU 178 Ca 0.17 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1k9y s LEU 178 Cb 0.09 -3.47 0.05 0.00 0.50 0.00 0.00 46.19 43.37 1k9y s LEU 178 CO 0.12 -0.72 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.69 1k9y s VAL 179 N 3.29 2.59 0.35 1.68 1.01 -1.26 -4.67 120.40 123.38 1k9y s VAL 179 Ca 0.43 -1.49 0.24 0.00 0.00 0.00 0.00 61.98 61.16 1k9y s VAL 179 Cb -0.14 -2.49 0.25 0.00 0.00 0.00 0.00 36.38 34.00 1k9y s VAL 179 CO 0.10 -0.05 1.98 -0.07 0.00 0.00 0.00 175.10 177.05 1k9y h LEU 180 N 7.89 0.00 -1.86 3.92 3.38 -1.87 -2.54 115.31 124.23 1k9y h LEU 180 Ca -0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1k9y h LEU 180 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1k9y h LEU 180 CO 0.50 0.18 -0.12 0.77 0.09 0.00 0.00 178.44 179.86 1k9y h SER 181 N 0.00 0.00 0.69 -0.43 4.64 -1.68 0.14 113.55 116.91 1k9y h SER 181 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k9y h SER 181 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1k9y h SER 181 CO 0.02 0.12 0.00 0.28 -0.87 0.00 0.00 176.83 176.38 1k9y h SER 182 N 0.00 0.00 -0.31 4.97 0.02 -1.71 -2.83 113.55 113.69 1k9y h SER 182 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1k9y h SER 182 Cb 0.37 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.79 1k9y h SER 182 CO 0.02 0.00 -0.24 -1.22 -1.14 0.00 0.00 176.83 174.24 1k9y n TYR 183 N -2.69 0.98 0.00 3.45 4.01 0.45 -4.93 117.16 118.44 1k9y n TYR 183 Ca 0.01 -1.68 0.00 0.00 -0.16 0.00 0.00 57.90 56.07 1k9y n TYR 183 Cb 0.22 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 1k9y n TYR 183 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k9y n GLY 184 N -1.09 2.82 3.98 2.72 0.00 -1.07 -4.99 105.19 107.57 1k9y n GLY 184 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 1k9y n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9y s ALA 185 N -1.82 3.96 0.21 4.61 0.00 -0.87 -4.92 121.76 122.93 1k9y s ALA 185 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 1k9y s ALA 185 Cb 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 23.12 21.03 1k9y s ALA 185 CO 0.00 -0.79 1.05 -0.65 0.00 0.00 0.00 175.76 175.37 1k9y s GLN 186 N -4.76 4.68 0.12 0.00 -0.21 -1.26 -1.93 119.66 116.30 1k9y s GLN 186 Ca 0.58 1.65 -0.13 0.00 0.02 0.00 0.00 55.36 57.49 1k9y s GLN 186 Cb -0.10 -3.27 -0.06 0.00 1.00 0.00 0.00 33.01 30.58 1k9y s GLN 186 CO 0.39 0.23 0.49 -0.51 -2.12 0.00 0.00 175.29 173.77 1k9y s ASP 187 N -0.55 6.75 0.23 5.90 1.01 -1.26 -4.75 116.67 124.00 1k9y s ASP 187 Ca 0.46 0.97 -0.12 0.00 0.71 0.00 0.00 52.55 54.56 1k9y s ASP 187 Cb -0.29 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 1k9y s ASP 187 CO 0.35 0.13 0.60 -0.76 0.21 0.00 0.00 175.17 175.69 1k9y s LEU 188 N -1.95 4.18 0.21 1.23 1.43 -1.26 -5.01 118.68 117.51 1k9y s LEU 188 Ca 0.36 1.05 -0.32 0.00 -1.03 0.00 0.00 54.13 54.18 1k9y s LEU 188 Cb -0.15 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.26 1k9y s LEU 188 CO 0.19 -0.06 1.57 2.29 0.23 0.00 0.00 176.35 180.56 1k9y n LYS 189 N 0.03 2.32 -0.14 1.70 2.85 -1.26 -2.18 118.16 121.48 1k9y n LYS 189 Ca -0.00 0.83 0.00 0.00 -1.05 0.00 0.00 58.31 58.09 1k9y n LYS 189 Cb 0.52 -2.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.31 1k9y n LYS 189 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1k9y n GLY 190 N 3.04 0.63 0.25 2.58 0.00 -1.26 -4.84 105.19 105.59 1k9y n GLY 190 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1k9y n GLY 190 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1k9y h HIS 191 N 0.00 0.00 -0.15 1.61 2.07 -1.69 -3.25 115.15 113.74 1k9y h HIS 191 Ca 0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 1k9y h HIS 191 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1k9y h HIS 191 CO 0.00 0.14 -0.28 0.93 -3.07 0.00 0.00 177.93 175.65 1k9y h GLU 192 N 0.00 0.29 0.22 5.12 3.07 -1.86 -1.11 114.58 120.30 1k9y h GLU 192 Ca -0.00 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1k9y h GLU 192 Cb 0.51 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1k9y h GLU 192 CO 0.02 0.55 -0.11 0.66 -1.40 0.00 0.00 179.01 178.73 1k9y h SER 193 N 0.26 -0.25 -0.35 1.42 4.64 -1.95 -3.41 113.55 113.90 1k9y h SER 193 Ca 0.04 -0.24 -0.23 0.00 -0.47 0.00 0.00 61.79 60.89 1k9y h SER 193 Cb 0.63 0.07 -0.33 0.00 -0.31 0.00 0.00 62.40 62.46 1k9y h SER 193 CO 0.05 0.13 -0.88 2.22 -0.87 0.00 0.00 176.83 177.47 1k9y n PHE 194 N -5.06 0.28 -3.02 4.77 -1.74 -1.25 -4.97 117.46 106.47 1k9y n PHE 194 Ca -0.09 -2.08 0.00 0.00 -0.56 0.00 0.00 57.45 54.72 1k9y n PHE 194 Cb 0.25 0.28 0.00 0.00 1.52 0.00 0.00 39.48 41.52 1k9y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1k9y n GLY 195 N -0.80 0.24 3.20 4.97 0.00 -0.42 -4.19 105.19 108.19 1k9y n GLY 195 Ca 0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 1k9y n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k9y s TYR 196 N 0.00 1.16 -0.06 1.61 2.02 -1.04 -1.19 117.35 119.85 1k9y s TYR 196 Ca 0.00 -0.65 0.06 0.00 -0.37 0.00 0.00 57.07 56.10 1k9y s TYR 196 Cb 0.00 -0.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1k9y s TYR 196 CO 0.00 0.04 -0.23 0.42 -1.57 0.00 0.00 175.55 174.21 1k9y s ILE 197 N -2.51 2.24 0.07 2.71 1.01 0.74 -0.58 121.20 124.86 1k9y s ILE 197 Ca 0.08 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.79 1k9y s ILE 197 Cb -0.02 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1k9y s ILE 197 CO 0.01 0.57 -0.15 -0.36 0.00 0.00 0.00 174.94 175.01 1k9y s PHE 198 N -0.24 2.64 0.08 3.97 0.40 0.05 -1.49 117.98 123.39 1k9y s PHE 198 Ca -0.01 -0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 55.86 1k9y s PHE 198 Cb -0.13 -1.45 0.08 0.00 0.51 0.00 0.00 43.02 42.03 1k9y s PHE 198 CO 0.03 0.34 0.71 -0.98 0.70 0.00 0.00 175.22 176.02 1k9y s ARG 199 N -1.78 1.09 -0.13 0.44 1.70 0.69 -1.18 118.95 119.78 1k9y s ARG 199 Ca 0.17 -0.35 -0.27 0.00 -0.47 0.00 0.00 55.73 54.81 1k9y s ARG 199 Cb -0.11 0.50 0.07 0.00 -0.57 0.00 0.00 34.95 34.84 1k9y s ARG 199 CO 0.09 -0.47 0.66 0.00 -1.08 0.00 0.00 175.30 174.50 1k9y s ALA 200 N -3.31 -1.69 -0.05 7.88 0.00 -0.61 -0.70 121.76 123.28 1k9y s ALA 200 Ca 0.02 1.52 0.06 0.00 0.00 0.00 0.00 51.96 53.55 1k9y s ALA 200 Cb -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1k9y s ALA 200 CO -0.10 -0.35 -0.23 0.08 0.00 0.00 0.00 175.76 175.16 1k9y s VAL 201 N -0.56 1.91 0.21 0.00 1.01 -1.23 -1.20 120.40 120.55 1k9y s VAL 201 Ca -0.07 -0.99 -0.32 0.00 0.00 0.00 0.00 61.98 60.60 1k9y s VAL 201 Cb -0.02 -1.62 -0.13 0.00 0.00 0.00 0.00 36.38 34.61 1k9y s VAL 201 CO 0.06 0.53 1.54 -1.14 0.00 0.00 0.00 175.10 176.10 1k9y n ARG 202 N 2.98 2.26 -0.55 2.72 0.63 0.17 -0.79 116.66 124.09 1k9y n ARG 202 Ca -0.18 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 1k9y n ARG 202 Cb 0.52 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.88 1k9y n ARG 202 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k9y n GLY 203 N 2.92 1.89 0.00 5.14 0.00 -1.26 -4.85 105.19 109.02 1k9y n GLY 203 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1k9y n GLY 203 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9y n LEU 204 N 0.00 1.45 0.00 0.99 4.77 0.03 -5.12 117.00 119.12 1k9y n LEU 204 Ca 0.00 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 1k9y n LEU 204 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1k9y n LEU 204 CO 0.00 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1k9y n GLY 205 N -0.26 1.86 3.59 -0.72 0.00 -1.23 -4.87 105.19 103.57 1k9y n GLY 205 Ca 0.00 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 1k9y n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9y s ALA 206 N -2.56 3.06 0.06 4.61 0.00 -1.25 -3.47 121.76 122.21 1k9y s ALA 206 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1k9y s ALA 206 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1k9y s ALA 206 CO 0.00 0.51 -0.04 -0.06 0.00 0.00 0.00 175.76 176.17 1k9y s PHE 207 N -0.61 0.57 0.21 0.00 0.40 0.12 -0.70 117.98 117.98 1k9y s PHE 207 Ca 0.09 -1.04 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 1k9y s PHE 207 Cb -0.12 -0.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.96 1k9y s PHE 207 CO 0.02 -0.34 0.08 1.52 0.70 0.00 0.00 175.22 177.20 1k9y s TYR 208 N -3.83 1.29 -0.15 0.36 1.13 -0.02 -0.22 117.35 115.91 1k9y s TYR 208 Ca 0.07 -1.20 -0.29 0.00 -1.41 0.00 0.00 57.07 54.24 1k9y s TYR 208 Cb 0.07 -0.72 0.10 0.00 -1.10 0.00 0.00 41.96 40.31 1k9y s TYR 208 CO -0.09 -0.41 0.84 0.45 -2.51 0.00 0.00 175.55 173.83 1k9y s SER 209 N -3.21 -0.55 0.32 -0.18 0.15 -0.56 -0.78 113.70 108.90 1k9y s SER 209 Ca 0.34 0.75 -0.29 0.00 0.70 0.00 0.00 55.95 57.45 1k9y s SER 209 Cb 0.07 0.65 -0.12 0.00 -1.71 0.00 0.00 66.02 64.91 1k9y s SER 209 CO 0.10 -0.40 1.32 -2.65 1.20 0.00 0.00 173.24 172.80 1k9y n PRO 210 N 1.31 2.13 -0.04 5.44 -0.02 -1.26 -0.19 135.00 142.38 1k9y n PRO 210 Ca -0.14 0.75 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 1k9y n PRO 210 Cb 0.57 -2.35 0.34 0.00 -0.02 0.00 0.00 33.50 32.04 1k9y n PRO 210 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1k9y h SER 211 N 2.87 0.55 0.44 2.55 0.02 -1.39 -0.76 113.55 117.83 1k9y h SER 211 Ca -0.46 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1k9y h SER 211 Cb 1.28 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1k9y h SER 211 CO 0.65 0.49 -0.02 0.77 -1.14 0.00 0.00 176.83 177.57 1k9y h SER 212 N 0.61 0.00 0.00 3.07 4.64 -1.80 -3.35 113.55 116.72 1k9y h SER 212 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1k9y h SER 212 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1k9y h SER 212 CO -0.02 0.02 0.00 -0.67 -0.87 0.00 0.00 176.83 175.30 1k9y n ASP 213 N -3.21 0.00 -1.90 4.97 -0.08 -0.40 -4.97 116.55 110.96 1k9y n ASP 213 Ca -0.01 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.06 1k9y n ASP 213 Cb 0.19 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.59 1k9y n ASP 213 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k9y n ALA 214 N -1.60 -0.43 -0.00 -1.67 0.00 -0.54 -4.76 120.51 111.50 1k9y n ALA 214 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 53.44 53.70 1k9y n ALA 214 Cb 0.00 -2.07 -0.00 0.00 0.00 0.00 0.00 19.45 17.38 1k9y n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k9y n GLU 215 N -2.60 0.01 -3.34 0.00 -0.58 -1.26 -4.98 120.64 107.89 1k9y n GLU 215 Ca -0.22 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.13 1k9y n GLU 215 Cb 0.68 -0.88 -0.08 0.00 -0.57 0.00 0.00 31.44 30.58 1k9y n GLU 215 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1k9y s SER 216 N -4.29 6.34 -0.09 1.62 0.15 -1.26 -5.06 113.70 111.10 1k9y s SER 216 Ca -0.00 0.40 0.03 0.00 0.70 0.00 0.00 55.95 57.08 1k9y s SER 216 Cb 0.00 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 1k9y s SER 216 CO 0.01 -0.19 -0.20 0.26 1.20 0.00 0.00 173.24 174.31 1k9y s TRP 217 N 2.00 2.62 -0.20 3.44 0.52 -1.26 -4.59 118.94 121.46 1k9y s TRP 217 Ca 0.18 -0.78 -0.05 0.00 0.02 0.00 0.00 56.10 55.46 1k9y s TRP 217 Cb -0.16 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1k9y s TRP 217 CO 0.09 -0.26 0.01 0.99 0.02 0.00 0.00 176.95 177.81 1k9y s THR 218 N 0.13 4.10 0.29 2.01 2.01 0.04 -4.91 115.64 119.32 1k9y s THR 218 Ca -0.10 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1k9y s THR 218 Cb -0.16 -2.86 -0.10 0.00 0.01 0.00 0.00 72.50 69.40 1k9y s THR 218 CO 0.06 0.43 1.34 -0.75 -0.69 0.00 0.00 174.62 175.01 1k9y s LYS 219 N 0.92 4.34 0.30 4.92 2.20 -1.26 -0.84 119.74 130.31 1k9y s LYS 219 Ca 0.02 2.22 0.10 0.00 -0.36 0.00 0.00 55.97 57.95 1k9y s LYS 219 Cb -0.14 -3.10 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 1k9y s LYS 219 CO 0.02 -0.25 -0.15 0.96 -0.36 0.00 0.00 175.35 175.57 1k9y s ILE 220 N -0.70 2.27 -0.09 5.43 -4.36 0.12 -4.91 121.20 118.96 1k9y s ILE 220 Ca 0.52 -2.30 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 1k9y s ILE 220 Cb -0.40 -2.41 0.07 0.00 1.25 0.00 0.00 42.46 40.97 1k9y s ILE 220 CO 0.49 -0.34 0.71 -2.28 0.24 0.00 0.00 174.94 173.76 1k9y s HIS 221 N -2.62 -0.66 0.78 1.37 2.46 -0.91 -4.54 115.29 111.17 1k9y s HIS 221 Ca 0.30 1.23 -0.12 0.00 0.47 0.00 0.00 55.06 56.94 1k9y s HIS 221 Cb -0.01 0.39 0.07 0.00 -0.13 0.00 0.00 32.58 32.89 1k9y s HIS 221 CO 0.15 -0.55 1.14 0.14 -2.47 0.00 0.00 174.74 173.14 1k9y s VAL 222 N -0.91 2.74 0.63 0.89 -7.23 0.10 -3.54 120.40 113.09 1k9y s VAL 222 Ca -0.09 0.28 0.03 0.00 -1.81 0.00 0.00 61.98 60.40 1k9y s VAL 222 Cb -0.01 -2.67 0.10 0.00 0.56 0.00 0.00 36.38 34.36 1k9y s VAL 222 CO 0.08 -0.27 0.88 0.00 -0.31 0.00 0.00 175.10 175.47 1k9y s ARG 223 N -4.47 2.05 -0.39 4.82 1.70 -1.26 -4.85 118.95 116.55 1k9y s ARG 223 Ca 0.67 -1.25 0.03 0.00 -0.47 0.00 0.00 55.73 54.70 1k9y s ARG 223 Cb -0.22 -2.48 0.16 0.00 -0.57 0.00 0.00 34.95 31.84 1k9y s ARG 223 CO 0.52 -1.10 0.31 -1.01 -1.08 0.00 0.00 175.30 172.94 1k9y s HIS 224 N -2.89 0.90 0.58 5.89 3.76 -1.26 -4.82 115.29 117.45 1k9y s HIS 224 Ca 0.63 -2.07 -0.13 0.00 -0.15 0.00 0.00 55.06 53.34 1k9y s HIS 224 Cb -0.06 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.70 1k9y s HIS 224 CO 0.41 -0.84 1.01 -0.51 -0.85 0.00 0.00 174.74 173.96 1k9y s LEU 225 N 0.38 3.36 -0.11 0.89 1.43 -1.26 -5.00 118.68 118.37 1k9y s LEU 225 Ca 0.29 1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 54.77 1k9y s LEU 225 Cb -0.04 -4.48 -0.27 0.00 0.03 0.00 0.00 46.19 41.44 1k9y s LEU 225 CO -0.14 -0.77 0.41 0.50 0.23 0.00 0.00 176.35 176.58 1k9y h LYS 226 N 0.09 0.28 -5.42 1.70 3.64 -2.00 -3.46 116.57 111.40 1k9y h LYS 226 Ca -0.45 -0.48 -0.65 0.00 -1.27 0.00 0.00 60.65 57.80 1k9y h LYS 226 Cb 1.19 0.18 -0.24 0.00 -0.41 0.00 0.00 32.23 32.94 1k9y h LYS 226 CO 0.62 1.23 -0.72 0.34 -2.27 0.00 0.00 179.45 178.64 1k9y s ASP 227 N -7.08 4.34 0.62 4.20 2.15 -1.26 -4.98 116.67 114.65 1k9y s ASP 227 Ca -0.22 -0.23 0.32 0.00 0.43 0.00 0.00 52.55 52.86 1k9y s ASP 227 Cb 0.06 -1.61 1.78 0.00 -0.30 0.00 0.00 42.92 42.86 1k9y s ASP 227 CO 0.78 0.19 2.10 0.71 -0.17 0.00 0.00 175.17 178.77 1k9y h THR 228 N 5.18 0.27 0.00 1.71 1.35 -1.90 -1.05 112.91 118.47 1k9y h THR 228 Ca -0.30 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.50 1k9y h THR 228 Cb 1.20 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1k9y h THR 228 CO 0.58 0.00 -0.27 0.07 -0.25 0.00 0.00 175.52 175.65 1k9y h LYS 229 N 0.00 0.00 -0.01 4.72 2.10 -1.74 -0.79 116.57 120.86 1k9y h LYS 229 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1k9y h LYS 229 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1k9y h LYS 229 CO -0.00 0.27 -0.15 -0.25 -2.00 0.00 0.00 179.45 177.32 1k9y n ASP 230 N -3.75 0.79 -4.88 7.07 8.00 -0.40 -4.51 116.55 118.87 1k9y n ASP 230 Ca -0.01 -0.82 -0.30 0.00 0.71 0.00 0.00 54.79 54.36 1k9y n ASP 230 Cb 0.37 0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1k9y n ASP 230 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1k9y s MET 231 N -2.41 2.84 -0.11 -1.24 -1.94 -0.30 -5.01 119.30 111.13 1k9y s MET 231 Ca 0.29 0.44 0.02 0.00 -1.71 0.00 0.00 55.69 54.73 1k9y s MET 231 Cb 0.20 -2.03 0.01 0.00 2.01 0.00 0.00 34.83 35.02 1k9y s MET 231 CO 0.47 -1.04 -0.18 0.42 -0.01 0.00 0.00 175.02 174.69 1k9y s ILE 232 N -3.35 1.68 0.45 2.53 1.01 -1.26 -4.17 121.20 118.09 1k9y s ILE 232 Ca 0.58 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1k9y s ILE 232 Cb -0.11 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.80 1k9y s ILE 232 CO 0.51 0.48 0.80 0.42 0.00 0.00 0.00 174.94 177.15 1k9y s THR 233 N 0.84 4.81 -0.14 2.92 -4.23 -0.59 -1.17 115.64 118.09 1k9y s THR 233 Ca -0.09 0.54 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1k9y s THR 233 Cb -0.15 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1k9y s THR 233 CO -0.00 -0.67 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.47 1k9y s LEU 234 N -4.20 2.33 0.03 4.79 1.43 0.86 -0.40 118.68 123.51 1k9y s LEU 234 Ca 0.51 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1k9y s LEU 234 Cb -0.10 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1k9y s LEU 234 CO 0.37 0.11 0.02 -1.61 0.23 0.00 0.00 176.35 175.47 1k9y s GLU 235 N 0.67 0.46 1.12 1.70 2.02 -0.67 -0.79 118.70 123.21 1k9y s GLU 235 Ca -0.09 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.03 1k9y s GLU 235 Cb -0.16 0.17 0.26 0.00 0.10 0.00 0.00 34.13 34.50 1k9y s GLU 235 CO 0.02 -0.10 1.04 0.20 0.02 0.00 0.00 175.26 176.45 1k9y s GLY 236 N -1.91 1.55 -0.15 -1.39 0.00 -1.26 -1.52 107.32 102.65 1k9y s GLY 236 Ca -0.09 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.36 1k9y s GLY 236 CO -0.03 0.51 0.29 -0.62 0.00 0.00 0.00 173.10 173.25 1k9y n VAL 237 N -4.74 1.71 -2.21 1.40 0.31 -1.26 -4.53 118.33 109.01 1k9y n VAL 237 Ca 0.04 -0.51 -0.43 0.00 -0.01 0.00 0.00 64.34 63.43 1k9y n VAL 237 Cb 0.55 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 1k9y n VAL 237 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1k9y s GLU 238 N -2.51 3.95 0.57 5.55 0.41 -1.26 -4.90 118.70 120.51 1k9y s GLU 238 Ca -0.25 1.66 0.35 0.00 -0.41 0.00 0.00 54.97 56.32 1k9y s GLU 238 Cb 0.07 -3.95 1.68 0.00 -1.78 0.00 0.00 34.13 30.14 1k9y s GLU 238 CO 0.72 -1.10 2.11 0.87 -0.49 0.00 0.00 175.26 177.37 1k9y h LYS 239 N 9.86 0.00 -0.00 1.61 1.57 -1.92 -1.68 116.57 126.02 1k9y h LYS 239 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1k9y h LYS 239 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1k9y h LYS 239 CO 1.00 0.04 -0.05 0.41 -0.57 0.00 0.00 179.45 180.28 1k9y n GLY 240 N -0.47 -0.91 0.01 3.86 0.00 -1.26 -3.79 105.19 102.63 1k9y n GLY 240 Ca -0.01 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1k9y n GLY 240 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k9y n HIS 241 N -0.89 0.07 -3.65 1.61 8.25 -0.63 -4.96 115.22 115.02 1k9y n HIS 241 Ca 0.18 0.02 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1k9y n HIS 241 Cb 0.23 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 1k9y n HIS 241 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1k9y s SER 242 N -3.76 -0.39 -1.11 0.41 1.04 -1.25 -4.80 113.70 103.84 1k9y s SER 242 Ca 0.01 -0.31 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 1k9y s SER 242 Cb 0.15 0.64 0.14 0.00 0.10 0.00 0.00 66.02 67.04 1k9y s SER 242 CO 0.87 -1.11 1.37 -0.55 0.98 0.00 0.00 173.24 174.79 1k9y s SER 243 N -2.82 6.85 0.25 7.02 0.15 -0.52 -4.80 113.70 119.83 1k9y s SER 243 Ca 0.07 -2.49 -0.04 0.00 0.70 0.00 0.00 55.95 54.18 1k9y s SER 243 Cb -0.03 -2.43 0.36 0.00 -1.71 0.00 0.00 66.02 62.20 1k9y s SER 243 CO -0.03 -0.96 1.86 0.45 1.20 0.00 0.00 173.24 175.76 1k9y h HIS 244 N 7.97 1.05 -0.60 3.44 -0.00 -1.90 -1.47 115.15 123.64 1k9y h HIS 244 Ca 0.27 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.59 1k9y h HIS 244 Cb 0.93 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.98 1k9y h HIS 244 CO 1.18 0.53 0.05 -0.44 -0.00 0.00 0.00 177.93 179.24 1k9y h ASP 245 N 1.02 0.97 0.08 2.45 3.32 -1.98 0.12 116.42 122.39 1k9y h ASP 245 Ca 0.39 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1k9y h ASP 245 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1k9y h ASP 245 CO -0.18 1.00 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.73 1k9y h GLU 246 N 0.93 0.33 -0.22 3.56 5.08 -1.93 -1.59 114.58 120.74 1k9y h GLU 246 Ca 0.18 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1k9y h GLU 246 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1k9y h GLU 246 CO 0.02 0.58 -0.36 1.96 -1.00 0.00 0.00 179.01 180.21 1k9y h GLN 247 N 0.29 0.48 -0.22 2.33 4.20 -0.39 -1.72 115.11 120.07 1k9y h GLN 247 Ca 0.04 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1k9y h GLN 247 Cb 0.65 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1k9y h GLN 247 CO 0.05 0.77 -0.34 1.15 -0.67 0.00 0.00 178.83 179.79 1k9y h THR 248 N 0.40 1.29 -0.44 -0.54 2.02 -0.48 -1.22 112.91 113.95 1k9y h THR 248 Ca 0.04 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 1k9y h THR 248 Cb 0.82 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1k9y h THR 248 CO 0.07 0.45 0.04 0.00 0.37 0.00 0.00 175.52 176.44 1k9y h ALA 249 N 1.24 1.25 0.04 6.16 0.00 -0.75 0.14 119.26 127.35 1k9y h ALA 249 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1k9y h ALA 249 Cb 0.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k9y h ALA 249 CO 0.06 0.50 -0.02 0.82 0.00 0.00 0.00 179.25 180.62 1k9y h ILE 250 N 0.65 1.15 -0.53 0.00 2.04 -0.65 -1.32 117.51 118.86 1k9y h ILE 250 Ca 0.14 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.47 1k9y h ILE 250 Cb 0.35 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 1k9y h ILE 250 CO 0.01 0.16 0.13 0.11 0.00 0.00 0.00 178.15 178.56 1k9y h LYS 251 N -0.33 0.27 -0.63 2.37 1.57 -0.97 -0.24 116.57 118.61 1k9y h LYS 251 Ca -0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1k9y h LYS 251 Cb 0.30 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1k9y h LYS 251 CO 0.01 0.18 0.11 -0.91 -0.57 0.00 0.00 179.45 178.27 1k9y h ASN 252 N 0.28 0.98 0.10 0.86 -0.26 -0.59 0.29 115.58 117.23 1k9y h ASN 252 Ca 0.27 -0.22 -0.09 0.00 -0.56 0.00 0.00 56.30 55.69 1k9y h ASN 252 Cb 0.35 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1k9y h ASN 252 CO -0.32 0.97 -0.31 0.11 -1.06 0.00 0.00 177.43 176.82 1k9y h LYS 253 N 0.97 0.32 -0.15 0.81 1.57 -0.73 -2.62 116.57 116.74 1k9y h LYS 253 Ca 0.20 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1k9y h LYS 253 Cb 0.41 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1k9y h LYS 253 CO 0.01 0.60 0.00 1.28 -0.57 0.00 0.00 179.45 180.76 1k9y n LEU 254 N -4.10 1.95 -2.03 2.94 4.32 -0.15 -4.93 117.00 115.00 1k9y n LEU 254 Ca -0.01 -0.77 -0.18 0.00 -0.02 0.00 0.00 56.01 55.03 1k9y n LEU 254 Cb 0.41 -0.09 -0.01 0.00 -1.62 0.00 0.00 43.42 42.11 1k9y n LEU 254 CO 0.41 0.38 -0.23 -3.20 -1.22 0.00 0.00 177.39 173.54 1k9y n ASN 255 N 0.51 -5.28 -4.71 -1.43 5.15 -0.03 -4.26 115.26 105.21 1k9y n ASN 255 Ca 0.17 0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.76 1k9y n ASN 255 Cb 0.39 -4.35 -0.04 0.00 -0.53 0.00 0.00 39.78 35.25 1k9y n ASN 255 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1k9y s ILE 256 N -2.89 4.93 -0.08 -1.44 1.01 -0.46 -4.25 121.20 118.02 1k9y s ILE 256 Ca 0.00 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.45 1k9y s ILE 256 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1k9y s ILE 256 CO 0.00 0.17 0.54 -1.54 0.00 0.00 0.00 174.94 174.10 1k9y n SER 257 N 4.08 1.08 -4.11 3.58 3.41 -1.26 -4.49 113.62 115.92 1k9y n SER 257 Ca 0.03 -1.06 -0.30 0.00 -0.26 0.00 0.00 58.87 57.29 1k9y n SER 257 Cb 0.51 -0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.29 1k9y n SER 257 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1k9y s LYS 258 N -0.08 2.48 0.10 4.33 2.20 -1.26 -5.10 119.74 122.40 1k9y s LYS 258 Ca 0.01 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1k9y s LYS 258 Cb 0.01 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 1k9y s LYS 258 CO 0.01 0.00 -0.07 -1.54 -0.36 0.00 0.00 175.35 173.40 1k9y s SER 259 N 0.79 1.12 -0.12 1.43 1.04 -1.26 -1.54 113.70 115.16 1k9y s SER 259 Ca -0.10 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.37 1k9y s SER 259 Cb -0.16 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1k9y s SER 259 CO 0.01 -0.46 -0.22 -0.76 0.98 0.00 0.00 173.24 172.79 1k9y s LEU 260 N -3.00 2.19 -0.21 2.42 1.43 0.46 -4.92 118.68 117.06 1k9y s LEU 260 Ca 0.11 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1k9y s LEU 260 Cb 0.05 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1k9y s LEU 260 CO -0.05 0.13 0.09 -1.00 0.23 0.00 0.00 176.35 175.75 1k9y s HIS 261 N 0.52 3.24 0.11 0.29 3.76 -1.25 -1.67 115.29 120.28 1k9y s HIS 261 Ca -0.14 0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 54.60 1k9y s HIS 261 Cb -0.17 -2.15 0.05 0.00 1.11 0.00 0.00 32.58 31.43 1k9y s HIS 261 CO 0.05 0.05 0.52 -0.48 -0.85 0.00 0.00 174.74 174.03 1k9y s LEU 262 N 0.73 -0.15 0.43 0.89 2.34 -0.57 -4.83 118.68 117.52 1k9y s LEU 262 Ca 0.05 -0.03 -0.17 0.00 0.06 0.00 0.00 54.13 54.04 1k9y s LEU 262 Cb -0.13 2.25 -0.09 0.00 -0.56 0.00 0.00 46.19 47.66 1k9y s LEU 262 CO 0.02 -0.86 0.89 -1.81 -1.06 0.00 0.00 176.35 173.53 1k9y s ASP 263 N -2.52 6.74 0.00 1.48 1.11 -1.26 -4.04 116.67 118.17 1k9y s ASP 263 Ca -0.00 1.48 0.00 0.00 0.18 0.00 0.00 52.55 54.20 1k9y s ASP 263 Cb 0.00 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1k9y s ASP 263 CO -0.09 -0.40 0.00 -1.54 1.18 0.00 0.00 175.17 174.31 1k9y n SER 264 N -0.98 0.00 0.00 0.27 3.41 -1.26 -4.26 113.62 110.80 1k9y n SER 264 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 1k9y n SER 264 Cb 0.54 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.66 1k9y n SER 264 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k9y n GLN 265 N -0.72 0.19 0.01 4.33 6.02 -1.26 -2.07 117.38 123.87 1k9y n GLN 265 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 1k9y n GLN 265 Cb 0.00 -1.48 0.69 0.00 1.02 0.00 0.00 30.24 30.47 1k9y n GLN 265 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k9y h ALA 266 N 2.33 2.48 -0.33 -1.58 0.00 -1.87 -1.74 119.26 118.57 1k9y h ALA 266 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1k9y h ALA 266 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1k9y h ALA 266 CO 0.00 -0.63 0.11 0.87 0.00 0.00 0.00 179.25 179.60 1k9y h LYS 267 N 0.00 0.24 -0.98 0.00 1.57 -1.67 -1.16 116.57 114.57 1k9y h LYS 267 Ca 0.24 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1k9y h LYS 267 Cb 0.98 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.16 1k9y h LYS 267 CO -0.00 0.16 0.62 1.88 -0.57 0.00 0.00 179.45 181.54 1k9y h TYR 268 N 0.25 1.11 -0.40 -1.35 0.05 -1.57 -2.14 116.97 112.92 1k9y h TYR 268 Ca 0.15 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 1k9y h TYR 268 Cb 0.12 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 1k9y h TYR 268 CO -0.14 0.47 0.07 0.00 -1.05 0.00 0.00 178.16 177.51 1k9y h LEU 270 N 0.51 0.94 0.11 0.00 3.38 -0.97 -0.28 115.31 119.00 1k9y h LEU 270 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1k9y h LEU 270 Cb 0.36 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1k9y h LEU 270 CO 0.01 0.61 -0.05 0.25 0.09 0.00 0.00 178.44 179.34 1k9y h LEU 271 N 1.07 -0.13 -1.48 1.67 5.85 -1.08 -1.32 115.31 119.89 1k9y h LEU 271 Ca 0.39 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1k9y h LEU 271 Cb 0.16 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1k9y h LEU 271 CO -0.14 0.06 0.11 0.00 -0.34 0.00 0.00 178.44 178.13 1k9y h ALA 272 N 0.56 1.59 0.00 1.25 0.00 -0.80 -0.41 119.26 121.45 1k9y h ALA 272 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1k9y h ALA 272 Cb 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1k9y h ALA 272 CO 0.03 0.32 -0.10 -0.07 0.00 0.00 0.00 179.25 179.42 1k9y h LEU 273 N 0.46 0.00 0.00 0.00 3.38 -0.91 -2.38 115.31 115.85 1k9y h LEU 273 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1k9y h LEU 273 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1k9y h LEU 273 CO -0.01 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1k9y n GLY 274 N -0.15 1.00 0.33 0.83 0.00 -0.16 -4.55 105.19 102.49 1k9y n GLY 274 Ca -0.00 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1k9y n GLY 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9y n LEU 275 N 0.00 1.64 -3.85 0.99 4.77 -0.55 -4.57 117.00 115.43 1k9y n LEU 275 Ca 0.00 -0.63 -0.09 0.00 -0.03 0.00 0.00 56.01 55.26 1k9y n LEU 275 Cb 0.13 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1k9y n LEU 275 CO 0.00 0.32 0.48 0.00 -1.33 0.00 0.00 177.39 176.86 1k9y s ALA 276 N -2.64 -0.68 -0.01 -1.18 0.00 -1.24 -4.96 121.76 111.05 1k9y s ALA 276 Ca 0.16 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1k9y s ALA 276 Cb 0.18 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 1k9y s ALA 276 CO 0.66 -0.98 0.00 -0.25 0.00 0.00 0.00 175.76 175.20 1k9y n ASP 277 N -1.22 4.83 -3.67 0.00 8.00 -0.31 -4.63 116.55 119.55 1k9y n ASP 277 Ca -0.07 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.28 1k9y n ASP 277 Cb 0.60 0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 42.08 1k9y n ASP 277 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k9y s VAL 278 N -2.02 -0.30 -0.35 2.53 1.01 -1.06 -1.55 120.40 118.66 1k9y s VAL 278 Ca -0.00 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1k9y s VAL 278 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1k9y s VAL 278 CO 0.03 0.14 0.39 -0.47 0.00 0.00 0.00 175.10 175.18 1k9y s TYR 279 N 2.27 3.20 -0.22 5.22 6.14 0.97 -0.10 117.35 134.84 1k9y s TYR 279 Ca 0.02 -0.05 -0.07 0.00 0.64 0.00 0.00 57.07 57.60 1k9y s TYR 279 Cb -0.12 -2.73 -0.03 0.00 0.42 0.00 0.00 41.96 39.49 1k9y s TYR 279 CO -0.07 -0.48 0.06 -0.51 0.64 0.00 0.00 175.55 175.19 1k9y s LEU 280 N 2.08 3.60 -0.41 6.97 1.43 0.03 -1.89 118.68 130.48 1k9y s LEU 280 Ca 0.13 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1k9y s LEU 280 Cb -0.16 -1.94 0.18 0.00 0.03 0.00 0.00 46.19 44.30 1k9y s LEU 280 CO 0.12 0.06 0.37 -1.14 0.23 0.00 0.00 176.35 176.00 1k9y n ARG 281 N 4.26 0.24 -2.89 1.70 0.63 0.04 -4.60 116.66 116.05 1k9y n ARG 281 Ca -0.16 -3.14 -0.35 0.00 -0.92 0.00 0.00 57.85 53.28 1k9y n ARG 281 Cb 0.52 -1.62 -0.07 0.00 0.45 0.00 0.00 32.46 31.74 1k9y n ARG 281 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1k9y s LEU 282 N -0.04 4.18 0.22 6.15 1.02 -1.26 -0.88 118.68 128.07 1k9y s LEU 282 Ca 0.33 1.65 -0.30 0.00 0.02 0.00 0.00 54.13 55.84 1k9y s LEU 282 Cb 0.05 -4.12 -0.08 0.00 0.02 0.00 0.00 46.19 42.06 1k9y s LEU 282 CO -0.19 -0.16 0.97 -2.16 0.02 0.00 0.00 176.35 174.83 1k9y s PRO 283 N -2.51 4.80 -0.07 1.29 0.04 -1.26 -1.43 135.00 135.85 1k9y s PRO 283 Ca 0.53 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1k9y s PRO 283 Cb -0.14 -3.29 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 1k9y s PRO 283 CO 0.19 0.42 0.61 0.82 0.04 0.00 0.00 177.00 179.08 1k9y h ILE 284 N 3.32 0.65 -3.56 0.56 2.04 -1.87 -3.42 117.51 115.23 1k9y h ILE 284 Ca -0.45 -1.19 -0.68 0.00 1.00 0.00 0.00 64.86 63.54 1k9y h ILE 284 Cb 1.20 1.15 -0.18 0.00 -0.74 0.00 0.00 36.82 38.25 1k9y h ILE 284 CO 0.69 0.19 -0.68 -0.54 0.00 0.00 0.00 178.15 177.81 1k9y s LYS 285 N -2.79 2.87 0.00 2.37 1.02 -1.26 -4.99 119.74 116.96 1k9y s LYS 285 Ca -0.10 -0.51 0.29 0.00 0.02 0.00 0.00 55.97 55.67 1k9y s LYS 285 Cb -0.00 -2.66 1.42 0.00 -0.52 0.00 0.00 37.83 36.07 1k9y s LYS 285 CO 0.36 0.64 1.99 1.28 -0.92 0.00 0.00 175.35 178.70 1k9y n LEU 286 N 2.30 0.00 0.17 3.17 4.77 -1.26 -2.83 117.00 123.31 1k9y n LEU 286 Ca -0.18 0.32 0.09 0.00 -0.03 0.00 0.00 56.01 56.21 1k9y n LEU 286 Cb 0.53 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1k9y n LEU 286 CO 0.28 -0.01 0.50 0.77 -1.33 0.00 0.00 177.39 177.59 1k9y h SER 287 N 0.00 0.00 -3.70 -1.43 4.64 -1.99 -3.47 113.55 107.60 1k9y h SER 287 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1k9y h SER 287 Cb 0.31 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.49 1k9y h SER 287 CO 0.00 0.16 0.81 -0.47 -0.87 0.00 0.00 176.83 176.46 1k9y s TYR 288 N -3.16 2.68 -0.19 4.77 5.04 -1.13 -5.01 117.35 120.35 1k9y s TYR 288 Ca 0.04 1.03 -0.01 0.00 -2.44 0.00 0.00 57.07 55.69 1k9y s TYR 288 Cb 0.07 -4.02 0.00 0.00 0.35 0.00 0.00 41.96 38.36 1k9y s TYR 288 CO 0.72 -3.16 -0.13 -0.65 -1.34 0.00 0.00 175.55 171.00 1k9y s GLN 289 N -1.45 3.20 0.43 4.97 -0.21 -1.26 -4.90 119.66 120.45 1k9y s GLN 289 Ca 0.57 -0.73 -0.25 0.00 0.02 0.00 0.00 55.36 54.96 1k9y s GLN 289 Cb -0.47 -2.75 -0.08 0.00 1.00 0.00 0.00 33.01 30.72 1k9y s GLN 289 CO 0.57 -0.13 1.34 -1.21 -2.12 0.00 0.00 175.29 173.73 1k9y s GLU 290 N 1.21 3.80 0.23 2.91 0.41 -1.25 -4.70 118.70 121.31 1k9y s GLU 290 Ca 0.02 2.23 -0.30 0.00 -0.41 0.00 0.00 54.97 56.52 1k9y s GLU 290 Cb -0.14 -2.67 -0.09 0.00 -1.78 0.00 0.00 34.13 29.45 1k9y s GLU 290 CO -0.06 -0.66 0.99 0.15 -0.49 0.00 0.00 175.26 175.20 1k9y s LYS 291 N -2.38 4.76 0.44 1.61 -0.14 -1.26 -0.49 119.74 122.28 1k9y s LYS 291 Ca 0.60 1.58 0.10 0.00 -1.36 0.00 0.00 55.97 56.88 1k9y s LYS 291 Cb -0.40 -3.27 0.98 0.00 -1.68 0.00 0.00 37.83 33.46 1k9y s LYS 291 CO 0.51 0.37 2.08 -0.84 -0.76 0.00 0.00 175.35 176.71 1k9y h ILE 292 N 3.31 1.07 0.00 2.17 3.07 -1.40 -2.08 117.51 123.64 1k9y h ILE 292 Ca -0.45 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.82 1k9y h ILE 292 Cb 1.21 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 1k9y h ILE 292 CO 0.69 0.07 0.00 -2.67 -1.05 0.00 0.00 178.15 175.19 1k9y n TRP 293 N -4.49 0.78 1.00 0.16 2.14 -1.26 -1.36 117.44 114.41 1k9y n TRP 293 Ca 0.02 0.33 0.14 0.00 2.07 0.00 0.00 57.50 60.06 1k9y n TRP 293 Cb 0.08 -1.04 0.61 0.00 -0.81 0.00 0.00 31.31 30.15 1k9y n TRP 293 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1k9y n ASP 294 N -2.24 0.01 0.00 -0.67 8.00 -0.78 -4.32 116.55 116.55 1k9y n ASP 294 Ca 0.01 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1k9y n ASP 294 Cb 0.17 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1k9y n ASP 294 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1k9y n HIS 295 N -1.50 0.00 -0.03 1.24 8.25 -0.56 -4.80 115.22 117.82 1k9y n HIS 295 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1k9y n HIS 295 Cb 0.34 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 1k9y n HIS 295 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k9y h ALA 296 N 0.00 -0.04 -0.68 -1.41 0.00 -1.41 -1.20 119.26 114.52 1k9y h ALA 296 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1k9y h ALA 296 Cb 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1k9y h ALA 296 CO 0.00 -0.13 0.34 0.00 0.00 0.00 0.00 179.25 179.46 1k9y h ALA 297 N 0.03 0.93 -0.52 0.00 0.00 -1.85 -1.87 119.26 115.99 1k9y h ALA 297 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1k9y h ALA 297 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1k9y h ALA 297 CO 0.01 -0.05 0.06 0.78 0.00 0.00 0.00 179.25 180.04 1k9y h GLY 298 N 0.59 0.89 0.35 0.00 0.00 -1.87 -2.93 103.07 100.10 1k9y h GLY 298 Ca 0.33 -0.56 0.09 0.00 0.00 0.00 0.00 47.33 47.19 1k9y h GLY 298 CO -0.25 0.53 0.15 -0.57 0.00 0.00 0.00 176.54 176.40 1k9y h ASN 299 N 0.78 0.09 0.58 0.19 -0.73 -0.34 -0.30 115.58 115.86 1k9y h ASN 299 Ca 0.16 0.09 -0.28 0.00 1.87 0.00 0.00 56.30 58.13 1k9y h ASN 299 Cb 0.39 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.08 1k9y h ASN 299 CO 0.01 0.07 -1.33 1.62 -0.37 0.00 0.00 177.43 177.42 1k9y h VAL 300 N 0.31 1.39 -0.13 2.57 3.04 -1.56 -1.93 116.25 119.93 1k9y h VAL 300 Ca 0.28 -2.98 -0.00 0.00 -1.01 0.00 0.00 66.70 62.98 1k9y h VAL 300 Cb 0.37 2.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.52 1k9y h VAL 300 CO -0.33 0.87 0.06 0.40 -1.01 0.00 0.00 177.57 177.56 1k9y h ILE 301 N 0.07 1.12 -0.43 3.17 2.04 -1.31 -0.69 117.51 121.48 1k9y h ILE 301 Ca -0.17 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1k9y h ILE 301 Cb 1.98 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.15 1k9y h ILE 301 CO 0.19 0.11 0.26 0.58 0.00 0.00 0.00 178.15 179.28 1k9y h VAL 302 N 0.09 1.05 -0.46 1.67 2.07 -1.09 -1.53 116.25 118.04 1k9y h VAL 302 Ca 0.04 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1k9y h VAL 302 Cb 0.11 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1k9y h VAL 302 CO -0.01 0.09 0.24 -0.74 0.02 0.00 0.00 177.57 177.18 1k9y h HIS 303 N 0.52 0.45 0.00 1.57 -0.00 -1.16 -0.07 115.15 116.46 1k9y h HIS 303 Ca 0.17 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1k9y h HIS 303 Cb -0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.27 1k9y h HIS 303 CO -0.07 0.24 -0.09 0.93 -0.00 0.00 0.00 177.93 178.94 1k9y h GLU 304 N 0.49 0.00 -0.00 5.26 4.39 -0.97 -1.93 114.58 121.81 1k9y h GLU 304 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1k9y h GLU 304 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1k9y h GLU 304 CO -0.12 0.09 -0.06 0.00 -1.16 0.00 0.00 179.01 177.76 1k9y n ALA 305 N -2.14 2.69 -0.23 3.43 0.00 -0.59 -3.85 120.51 119.82 1k9y n ALA 305 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1k9y n ALA 305 Cb 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1k9y n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9y n GLY 306 N 1.19 0.88 0.89 0.00 0.00 -0.72 -0.72 105.19 106.71 1k9y n GLY 306 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1k9y n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9y n GLY 307 N -2.23 0.91 3.06 -0.02 0.00 -0.09 -4.70 105.19 102.12 1k9y n GLY 307 Ca 0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 1k9y n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9y s ILE 308 N -0.43 0.86 -0.08 -0.61 1.01 -0.10 -4.44 121.20 117.42 1k9y s ILE 308 Ca 0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1k9y s ILE 308 Cb -0.01 -0.73 0.04 0.00 0.01 0.00 0.00 42.46 41.77 1k9y s ILE 308 CO 0.10 0.23 0.05 -2.28 0.00 0.00 0.00 174.94 173.03 1k9y s HIS 309 N -0.29 0.29 0.23 3.97 2.46 -1.26 -0.89 115.29 119.79 1k9y s HIS 309 Ca 0.04 -0.01 0.05 0.00 0.47 0.00 0.00 55.06 55.61 1k9y s HIS 309 Cb -0.04 -0.63 -0.02 0.00 -0.13 0.00 0.00 32.58 31.76 1k9y s HIS 309 CO -0.00 -0.30 0.20 0.25 -2.47 0.00 0.00 174.74 172.41 1k9y n THR 310 N 5.24 0.00 -0.89 0.89 -2.24 -0.13 -4.15 114.28 113.00 1k9y n THR 310 Ca -0.05 -1.69 -0.09 0.00 -2.27 0.00 0.00 64.05 59.96 1k9y n THR 310 Cb 0.50 0.85 0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1k9y n THR 310 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k9y n ASP 311 N -2.08 -0.79 -0.79 3.42 5.75 -0.78 -1.33 116.55 119.95 1k9y n ASP 311 Ca 0.05 -0.86 0.08 0.00 -0.01 0.00 0.00 54.79 54.05 1k9y n ASP 311 Cb 0.42 -0.29 0.15 0.00 -1.03 0.00 0.00 41.12 40.37 1k9y n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k9y n ALA 312 N -3.42 2.36 0.01 2.12 0.00 -0.63 -3.52 120.51 117.42 1k9y n ALA 312 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1k9y n ALA 312 Cb 0.17 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1k9y n ALA 312 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1k9y n MET 313 N 0.94 0.00 0.08 0.00 2.81 -1.25 -3.89 117.12 115.80 1k9y n MET 313 Ca 0.13 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.08 1k9y n MET 313 Cb 0.46 -0.23 -0.03 0.00 -0.71 0.00 0.00 33.22 32.71 1k9y n MET 313 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1k9y h GLU 314 N 0.00 0.00 -3.41 0.03 5.08 -1.89 -3.42 114.58 110.97 1k9y h GLU 314 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1k9y h GLU 314 Cb 0.39 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.71 1k9y h GLU 314 CO 0.00 0.18 -0.33 -3.47 -1.00 0.00 0.00 179.01 174.39 1k9y n ASP 315 N -2.85 -2.97 -4.51 1.42 2.03 -1.26 -5.06 116.55 103.36 1k9y n ASP 315 Ca -0.04 -0.26 -0.26 0.00 0.52 0.00 0.00 54.79 54.74 1k9y n ASP 315 Cb 0.70 -2.56 -0.10 0.00 -0.72 0.00 0.00 41.12 38.44 1k9y n ASP 315 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1k9y s VAL 316 N -3.15 2.81 0.64 5.18 -7.23 -1.26 -4.94 120.40 112.43 1k9y s VAL 316 Ca 0.13 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 1k9y s VAL 316 Cb -0.06 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1k9y s VAL 316 CO 0.33 -0.16 1.20 -2.84 -0.31 0.00 0.00 175.10 173.32 1k9y s PRO 317 N -2.89 2.73 0.33 4.82 0.02 -1.26 -1.86 135.00 136.89 1k9y s PRO 317 Ca 0.24 1.76 -0.27 0.00 0.02 0.00 0.00 61.00 62.76 1k9y s PRO 317 Cb -0.08 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1k9y s PRO 317 CO 0.13 -1.38 1.01 -0.51 -0.33 0.00 0.00 177.00 175.92 1k9y s LEU 318 N -4.44 4.36 -0.41 -5.54 1.43 -1.26 -4.77 118.68 108.04 1k9y s LEU 318 Ca 0.76 2.00 -0.05 0.00 -1.03 0.00 0.00 54.13 55.80 1k9y s LEU 318 Cb -0.29 -3.94 0.10 0.00 0.03 0.00 0.00 46.19 42.09 1k9y s LEU 318 CO 0.37 -0.18 0.21 -0.62 0.23 0.00 0.00 176.35 176.36 1k9y s ASP 319 N -1.40 5.37 -0.02 2.29 2.15 -1.26 -4.95 116.67 118.84 1k9y s ASP 319 Ca 0.50 -1.79 0.04 0.00 0.43 0.00 0.00 52.55 51.73 1k9y s ASP 319 Cb -0.23 -1.88 0.16 0.00 -0.30 0.00 0.00 42.92 40.67 1k9y s ASP 319 CO 0.29 -0.53 0.95 0.49 -0.17 0.00 0.00 175.17 176.20 1k9y n PHE 320 N 4.72 0.33 -0.88 -5.34 3.72 -1.18 -3.78 117.46 115.05 1k9y n PHE 320 Ca -0.06 -0.13 0.08 0.00 -0.05 0.00 0.00 57.45 57.29 1k9y n PHE 320 Cb 0.42 -0.09 0.29 0.00 -0.94 0.00 0.00 39.48 39.16 1k9y n PHE 320 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k9y n GLY 321 N 0.46 3.60 1.01 1.37 0.00 -1.18 -4.63 105.19 105.81 1k9y n GLY 321 Ca 0.06 -0.95 0.10 0.00 0.00 0.00 0.00 46.02 45.23 1k9y n GLY 321 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k9y n ASN 322 N -0.04 2.95 0.00 1.61 4.05 -1.25 -2.17 115.26 120.41 1k9y n ASN 322 Ca 0.22 -1.95 0.00 0.00 0.45 0.00 0.00 54.58 53.30 1k9y n ASN 322 Cb 0.93 -0.31 0.00 0.00 1.23 0.00 0.00 39.78 41.63 1k9y n ASN 322 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k9y n GLY 323 N 1.39 0.39 0.13 8.20 0.00 -1.26 -4.56 105.19 109.48 1k9y n GLY 323 Ca 0.19 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.52 1k9y n GLY 323 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k9y h ARG 324 N 0.00 0.00 -4.93 1.61 3.08 -1.91 -3.41 114.38 108.82 1k9y h ARG 324 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 1k9y h ARG 324 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1k9y h ARG 324 CO 0.00 0.00 -0.69 0.95 -1.07 0.00 0.00 179.97 179.16 1k9y s THR 325 N -3.23 0.96 -0.14 2.04 -4.23 -1.26 -1.06 115.64 108.73 1k9y s THR 325 Ca 0.07 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1k9y s THR 325 Cb 0.10 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 1k9y s THR 325 CO 0.51 -0.68 0.30 -0.76 -0.54 0.00 0.00 174.62 173.45 1k9y s LEU 326 N -3.16 4.28 0.11 4.79 1.43 0.35 -4.55 118.68 121.93 1k9y s LEU 326 Ca 0.18 0.57 0.25 0.00 -1.03 0.00 0.00 54.13 54.09 1k9y s LEU 326 Cb 0.04 -2.38 0.44 0.00 0.03 0.00 0.00 46.19 44.31 1k9y s LEU 326 CO 0.01 0.14 1.39 0.00 0.23 0.00 0.00 176.35 178.13 1k9y n ALA 327 N 3.26 2.92 -1.72 4.21 0.00 -1.26 -3.89 120.51 124.02 1k9y n ALA 327 Ca -0.13 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 1k9y n ALA 327 Cb 0.52 -1.20 0.21 0.00 0.00 0.00 0.00 19.45 18.98 1k9y n ALA 327 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1k9y s THR 328 N -3.13 1.89 -0.22 0.00 -4.23 -1.26 -5.06 115.64 103.63 1k9y s THR 328 Ca 0.07 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1k9y s THR 328 Cb 0.14 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1k9y s THR 328 CO 0.70 0.00 -0.15 -0.54 -0.54 0.00 0.00 174.62 174.09 1k9y s LYS 329 N -5.81 2.67 0.12 3.99 -0.14 -1.26 -4.72 119.74 114.59 1k9y s LYS 329 Ca 0.74 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.30 1k9y s LYS 329 Cb -0.04 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 1k9y s LYS 329 CO 0.54 -0.37 0.00 0.41 -0.76 0.00 0.00 175.35 175.17 1k9y n GLY 330 N 4.54 -1.71 2.93 -3.33 0.00 -1.26 -1.61 105.19 104.76 1k9y n GLY 330 Ca -0.18 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1k9y n GLY 330 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9y s VAL 331 N -1.74 0.00 -0.02 1.61 1.01 -0.05 -2.85 120.40 118.36 1k9y s VAL 331 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1k9y s VAL 331 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.31 1k9y s VAL 331 CO 0.00 -0.01 0.03 -0.63 0.00 0.00 0.00 175.10 174.49 1k9y s ILE 332 N 0.01 -0.05 0.14 2.22 1.01 -0.44 -0.78 121.20 123.31 1k9y s ILE 332 Ca -0.00 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.89 1k9y s ILE 332 Cb -0.01 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.35 1k9y s ILE 332 CO 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 174.94 174.88 1k9y s ALA 333 N 0.90 1.57 0.32 9.38 0.00 -0.79 -0.96 121.76 132.17 1k9y s ALA 333 Ca -0.07 -1.39 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 1k9y s ALA 333 Cb -0.11 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1k9y s ALA 333 CO -0.03 0.06 0.69 -1.54 0.00 0.00 0.00 175.76 174.94 1k9y s SER 334 N -2.73 -0.06 0.00 0.00 1.04 -0.07 -0.02 113.70 111.85 1k9y s SER 334 Ca 0.13 -0.90 0.25 0.00 0.48 0.00 0.00 55.95 55.91 1k9y s SER 334 Cb -0.03 0.75 1.18 0.00 0.10 0.00 0.00 66.02 68.02 1k9y s SER 334 CO 0.03 -1.43 1.83 -1.54 0.98 0.00 0.00 173.24 173.10 1k9y n SER 335 N -0.84 0.00 -0.48 7.02 3.41 -0.60 -0.93 113.62 121.20 1k9y n SER 335 Ca -0.05 0.19 0.04 0.00 -0.26 0.00 0.00 58.87 58.79 1k9y n SER 335 Cb 0.60 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1k9y n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k9y n GLY 336 N 0.96 -1.88 1.31 5.00 0.00 -1.26 -4.57 105.19 104.76 1k9y n GLY 336 Ca 0.09 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 1k9y n GLY 336 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k9y n PRO 337 N -1.53 -1.15 -0.29 1.61 -0.04 -1.26 -4.79 135.00 127.55 1k9y n PRO 337 Ca 0.00 -0.68 0.08 0.00 -0.04 0.00 0.00 63.50 62.86 1k9y n PRO 337 Cb 0.13 -0.54 0.23 0.00 -0.04 0.00 0.00 33.50 33.28 1k9y n PRO 337 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1k9y h ARG 338 N 0.00 0.54 -0.24 0.54 2.43 -1.99 -0.64 114.38 115.02 1k9y h ARG 338 Ca -0.15 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1k9y h ARG 338 Cb 0.44 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1k9y h ARG 338 CO 0.10 0.36 -0.17 0.93 -1.51 0.00 0.00 179.97 179.68 1k9y h GLU 339 N 0.56 0.41 -0.00 0.20 3.07 -1.98 0.21 114.58 117.04 1k9y h GLU 339 Ca 0.47 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1k9y h GLU 339 Cb 0.70 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1k9y h GLU 339 CO -0.39 0.58 -0.00 1.25 -1.40 0.00 0.00 179.01 179.04 1k9y h LEU 340 N 0.38 0.00 -0.19 1.33 7.12 -1.50 -1.79 115.31 120.66 1k9y h LEU 340 Ca 0.07 -0.70 0.06 0.00 0.13 0.00 0.00 57.88 57.43 1k9y h LEU 340 Cb 0.52 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.59 1k9y h LEU 340 CO 0.03 0.71 -0.24 -0.74 -0.13 0.00 0.00 178.44 178.07 1k9y h HIS 341 N -0.70 -0.64 -0.72 1.25 2.76 -0.87 -0.95 115.15 115.28 1k9y h HIS 341 Ca -0.00 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.23 1k9y h HIS 341 Cb 0.71 0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 1k9y h HIS 341 CO 0.17 -0.32 0.47 -0.44 -1.30 0.00 0.00 177.93 176.52 1k9y h ASP 342 N -0.27 0.76 -0.33 3.26 3.32 -0.60 -0.70 116.42 121.86 1k9y h ASP 342 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1k9y h ASP 342 Cb 0.46 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1k9y h ASP 342 CO -0.35 0.53 0.22 0.25 -1.72 0.00 0.00 179.24 178.17 1k9y h LEU 343 N 0.89 0.38 -0.20 1.55 5.85 -0.51 -0.35 115.31 122.92 1k9y h LEU 343 Ca 0.28 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1k9y h LEU 343 Cb 0.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1k9y h LEU 343 CO -0.08 0.28 0.10 0.58 -0.34 0.00 0.00 178.44 178.98 1k9y h VAL 344 N 0.45 1.14 -0.30 1.05 2.07 -0.33 -1.14 116.25 119.19 1k9y h VAL 344 Ca 0.12 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 1k9y h VAL 344 Cb -0.04 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1k9y h VAL 344 CO -0.03 0.13 -0.43 0.58 0.02 0.00 0.00 177.57 177.85 1k9y h VAL 345 N 0.19 1.29 0.00 2.57 2.07 -1.04 -0.84 116.25 120.49 1k9y h VAL 345 Ca 0.07 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 65.91 1k9y h VAL 345 Cb 0.12 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1k9y h VAL 345 CO -0.01 0.52 -0.31 0.77 0.02 0.00 0.00 177.57 178.56 1k9y h SER 346 N 0.61 0.00 -0.33 0.57 4.64 -0.98 0.61 113.55 118.66 1k9y h SER 346 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1k9y h SER 346 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1k9y h SER 346 CO 0.09 0.31 -0.05 0.74 -0.87 0.00 0.00 176.83 177.05 1k9y h THR 347 N 0.00 1.27 -0.44 2.95 2.02 -0.79 -2.19 112.91 115.73 1k9y h THR 347 Ca -0.00 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 1k9y h THR 347 Cb 0.62 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1k9y h THR 347 CO 0.04 0.35 0.19 -1.28 0.37 0.00 0.00 175.52 175.19 1k9y h SER 348 N 0.41 0.59 -0.59 4.18 0.87 -0.65 0.20 113.55 118.56 1k9y h SER 348 Ca 0.09 -0.15 0.11 0.00 -1.23 0.00 0.00 61.79 60.61 1k9y h SER 348 Cb 0.54 -0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.26 1k9y h SER 348 CO 0.03 0.58 0.11 0.00 -0.53 0.00 0.00 176.83 177.01 1k9y h ASP 350 N 0.24 0.93 0.17 0.00 3.58 -0.79 -0.65 116.42 119.90 1k9y h ASP 350 Ca 0.31 -0.44 0.01 0.00 0.42 0.00 0.00 57.03 57.32 1k9y h ASP 350 Cb 0.46 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 1k9y h ASP 350 CO -0.41 1.17 -0.18 0.58 -2.88 0.00 0.00 179.24 177.52 1k9y h VAL 351 N 0.69 0.59 -0.92 2.25 2.07 -0.66 -1.60 116.25 118.68 1k9y h VAL 351 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1k9y h VAL 351 Cb 0.88 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1k9y h VAL 351 CO 0.08 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.68 1k9y h ILE 352 N -0.39 1.20 0.00 4.57 2.04 -0.84 -2.17 117.51 121.92 1k9y h ILE 352 Ca 0.01 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1k9y h ILE 352 Cb 0.38 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1k9y h ILE 352 CO -0.06 0.22 -0.29 1.56 0.00 0.00 0.00 178.15 179.58 1k9y h GLN 353 N 1.21 0.00 0.00 2.37 1.08 -0.97 -2.79 115.11 116.01 1k9y h GLN 353 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1k9y h GLN 353 Cb -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1k9y h GLN 353 CO -0.09 0.29 0.00 -1.13 -0.95 0.00 0.00 178.83 176.95 1k9y n SER 354 N -3.97 0.62 0.00 1.46 3.41 -0.61 -5.09 113.62 109.43 1k9y n SER 354 Ca -0.02 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1k9y n SER 354 Cb 0.36 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1k9y n SER 354 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42