#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q9i n ASP 2 N 0.00 0.66 -3.87 0.00 8.00 -1.26 -4.97 116.55 115.11 1q9i n ASP 2 Ca 0.00 -0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.03 1q9i n ASP 2 Cb 0.00 0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 1q9i n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1q9i s ASN 3 N -3.50 -0.13 0.22 -2.24 2.20 -1.26 -4.59 114.94 105.64 1q9i s ASN 3 Ca 0.06 -0.70 -0.08 0.00 -0.94 0.00 0.00 52.86 51.20 1q9i s ASN 3 Cb 0.16 0.54 0.17 0.00 -2.00 0.00 0.00 41.25 40.12 1q9i s ASN 3 CO 0.79 -1.03 1.80 0.25 -2.94 0.00 0.00 177.10 175.97 1q9i h LEU 4 N 2.31 1.10 -0.30 3.54 5.85 -1.70 -1.89 115.31 124.23 1q9i h LEU 4 Ca -0.29 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1q9i h LEU 4 Cb 1.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1q9i h LEU 4 CO 0.40 0.94 0.17 0.00 -0.34 0.00 0.00 178.44 179.62 1q9i h ALA 5 N 1.20 0.38 -0.80 1.25 0.00 -0.85 -2.28 119.26 118.16 1q9i h ALA 5 Ca 0.28 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1q9i h ALA 5 Cb 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1q9i h ALA 5 CO -0.03 -0.11 0.48 1.49 0.00 0.00 0.00 179.25 181.08 1q9i h GLU 6 N 0.37 0.85 -0.36 0.00 4.81 -1.72 -0.13 114.58 118.40 1q9i h GLU 6 Ca 0.11 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1q9i h GLU 6 Cb 0.03 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1q9i h GLU 6 CO -0.02 0.56 0.11 0.35 -0.73 0.00 0.00 179.01 179.29 1q9i h PHE 7 N 0.88 0.19 -0.34 0.92 3.57 -1.08 -3.13 116.94 117.95 1q9i h PHE 7 Ca 0.35 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.71 1q9i h PHE 7 Cb 0.19 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1q9i h PHE 7 CO -0.05 0.07 -0.42 0.45 -2.23 0.00 0.00 178.31 176.13 1q9i h HIS 8 N 0.25 1.04 0.00 0.41 3.86 -0.63 -3.13 115.15 116.96 1q9i h HIS 8 Ca 0.17 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1q9i h HIS 8 Cb 0.16 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1q9i h HIS 8 CO -0.16 1.13 0.00 1.33 0.86 0.00 0.00 177.93 181.09 1q9i n VAL 9 N -4.04 0.83 -0.32 2.45 0.24 -0.19 -1.15 118.33 116.15 1q9i n VAL 9 Ca -0.03 0.26 0.16 0.00 -2.04 0.00 0.00 64.34 62.70 1q9i n VAL 9 Cb 0.56 -1.21 0.41 0.00 -1.47 0.00 0.00 33.84 32.13 1q9i n VAL 9 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1q9i h GLN 10 N 0.00 0.59 0.00 7.34 4.20 -1.50 -3.21 115.11 122.53 1q9i h GLN 10 Ca 0.00 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1q9i h GLN 10 Cb 0.35 -0.13 -0.16 0.00 0.30 0.00 0.00 27.48 27.83 1q9i h GLN 10 CO 0.00 0.39 -0.71 0.27 -0.67 0.00 0.00 178.83 178.11 1q9i n ASN 11 N -4.67 0.57 -4.15 1.46 6.94 -0.84 -5.09 115.26 109.48 1q9i n ASN 11 Ca 0.22 -2.11 -0.13 0.00 -0.02 0.00 0.00 54.58 52.55 1q9i n ASN 11 Cb 0.65 -0.26 -0.11 0.00 -2.36 0.00 0.00 39.78 37.71 1q9i n ASN 11 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1q9i s GLN 12 N -0.22 0.77 0.51 -3.83 -0.21 -0.30 -5.13 119.66 111.24 1q9i s GLN 12 Ca 0.17 -1.13 -0.06 0.00 0.02 0.00 0.00 55.36 54.36 1q9i s GLN 12 Cb 0.19 -0.36 -0.03 0.00 1.00 0.00 0.00 33.01 33.81 1q9i s GLN 12 CO -0.07 0.04 0.82 -1.21 -2.12 0.00 0.00 175.29 172.74 1q9i s GLU 13 N -2.89 3.44 0.30 2.91 0.41 -1.26 -4.28 118.70 117.32 1q9i s GLU 13 Ca 0.04 0.19 0.06 0.00 -0.41 0.00 0.00 54.97 54.85 1q9i s GLU 13 Cb -0.02 -2.34 0.76 0.00 -1.78 0.00 0.00 34.13 30.75 1q9i s GLU 13 CO -0.02 -0.31 1.75 0.00 -0.49 0.00 0.00 175.26 176.19 1q9i n ASP 15 N -4.86 0.00 0.14 0.00 5.75 -1.26 -1.77 116.55 114.55 1q9i n ASP 15 Ca 0.23 -1.40 -0.00 0.00 -0.01 0.00 0.00 54.79 53.61 1q9i n ASP 15 Cb 0.62 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.95 1q9i n ASP 15 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1q9i h SER 16 N 0.00 0.04 0.00 -1.12 4.64 -1.70 -3.34 113.55 112.07 1q9i h SER 16 Ca 0.00 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 1q9i h SER 16 Cb 0.00 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1q9i h SER 16 CO 0.00 0.55 -1.68 0.00 -0.87 0.00 0.00 176.83 174.83 1q9i s HIS 18 N -2.24 3.48 0.89 0.00 3.76 -0.73 -4.29 115.29 116.17 1q9i s HIS 18 Ca -0.05 0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.95 1q9i s HIS 18 Cb 0.03 -1.75 0.13 0.00 1.11 0.00 0.00 32.58 32.10 1q9i s HIS 18 CO 0.40 0.31 1.11 0.95 -0.85 0.00 0.00 174.74 176.67 1q9i s THR 19 N -2.08 2.49 0.28 1.30 -4.23 -1.26 -4.52 115.64 107.62 1q9i s THR 19 Ca 0.37 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1q9i s THR 19 Cb -0.10 -2.36 0.30 0.00 1.34 0.00 0.00 72.50 71.68 1q9i s THR 19 CO 0.32 -0.21 1.65 -0.65 -0.54 0.00 0.00 174.62 175.19 1q9i h PRO 20 N -1.70 0.20 -0.00 3.99 0.11 -1.93 -2.09 132.00 130.58 1q9i h PRO 20 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1q9i h PRO 20 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1q9i h PRO 20 CO 0.46 0.13 -0.43 -0.40 -0.21 0.00 0.00 178.00 177.55 1q9i n ASP 21 N -5.24 0.84 0.00 -2.05 5.68 -1.26 -4.95 116.55 109.57 1q9i n ASP 21 Ca 0.20 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 1q9i n ASP 21 Cb 0.64 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 1q9i n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q9i n GLY 22 N 1.43 0.89 3.76 6.12 0.00 -0.78 -5.03 105.19 111.57 1q9i n GLY 22 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1q9i n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q9i s GLU 23 N -0.71 4.39 0.32 1.61 -1.05 -1.26 -4.78 118.70 117.22 1q9i s GLU 23 Ca 0.00 2.16 -0.29 0.00 -0.15 0.00 0.00 54.97 56.69 1q9i s GLU 23 Cb 0.00 -3.10 -0.11 0.00 -0.44 0.00 0.00 34.13 30.49 1q9i s GLU 23 CO 0.00 -0.16 1.49 -0.51 0.95 0.00 0.00 175.26 177.03 1q9i s LEU 24 N -1.56 4.35 0.17 1.83 1.43 -1.26 -4.46 118.68 119.19 1q9i s LEU 24 Ca 0.49 2.90 -0.13 0.00 -1.03 0.00 0.00 54.13 56.36 1q9i s LEU 24 Cb -0.39 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.26 1q9i s LEU 24 CO 0.50 -0.81 1.80 0.77 0.23 0.00 0.00 176.35 178.84 1q9i h SER 25 N 4.02 0.70 -5.95 2.29 4.64 -1.95 -3.48 113.55 113.83 1q9i h SER 25 Ca -0.48 -0.08 0.39 0.00 -0.47 0.00 0.00 61.79 61.15 1q9i h SER 25 Cb 1.23 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 63.04 1q9i h SER 25 CO 0.72 0.57 0.98 0.54 -0.87 0.00 0.00 176.83 178.77 1q9i s ASN 26 N -5.84 -0.00 0.20 4.97 2.20 -1.26 -4.99 114.94 110.21 1q9i s ASN 26 Ca -0.13 -0.05 0.24 0.00 -0.94 0.00 0.00 52.86 51.98 1q9i s ASN 26 Cb 0.13 0.04 0.91 0.00 -2.00 0.00 0.00 41.25 40.33 1q9i s ASN 26 CO 0.76 -0.08 1.72 0.47 -2.94 0.00 0.00 177.10 177.04 1q9i n ASP 27 N -0.83 0.60 -0.08 3.54 8.00 -1.26 -1.67 116.55 124.84 1q9i n ASP 27 Ca 0.00 0.61 0.14 0.00 0.71 0.00 0.00 54.79 56.25 1q9i n ASP 27 Cb 0.60 -0.75 0.63 0.00 -0.02 0.00 0.00 41.12 41.59 1q9i n ASP 27 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1q9i n SER 28 N -2.11 0.36 -3.96 -2.24 7.64 -1.25 -4.37 113.62 107.69 1q9i n SER 28 Ca 0.04 -0.45 -0.28 0.00 1.01 0.00 0.00 58.87 59.19 1q9i n SER 28 Cb 0.30 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 1q9i n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1q9i n LEU 29 N -1.05 -2.33 0.12 -3.43 4.77 -0.67 -4.89 117.00 109.52 1q9i n LEU 29 Ca 0.14 -0.94 -0.13 0.00 -0.03 0.00 0.00 56.01 55.05 1q9i n LEU 29 Cb 0.27 -2.33 -0.08 0.00 -2.33 0.00 0.00 43.42 38.96 1q9i n LEU 29 CO 0.24 0.41 0.81 0.74 -1.33 0.00 0.00 177.39 178.26 1q9i h THR 30 N -1.82 0.85 -0.29 -5.08 2.02 -1.93 -1.03 112.91 105.63 1q9i h THR 30 Ca -0.61 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1q9i h THR 30 Cb 1.37 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1q9i h THR 30 CO 0.65 0.01 0.13 0.22 0.37 0.00 0.00 175.52 176.90 1q9i h TYR 31 N -0.24 0.43 -0.44 3.16 5.03 -1.95 -1.62 116.97 121.34 1q9i h TYR 31 Ca -0.02 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.23 1q9i h TYR 31 Cb 0.18 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 1q9i h TYR 31 CO -0.06 0.41 0.14 0.93 -1.32 0.00 0.00 178.16 178.26 1q9i h GLU 32 N 0.32 0.68 -0.35 1.82 3.07 -1.71 -2.14 114.58 116.26 1q9i h GLU 32 Ca 0.10 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1q9i h GLU 32 Cb 0.15 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1q9i h GLU 32 CO -0.01 0.65 -0.06 -0.91 -1.40 0.00 0.00 179.01 177.28 1q9i h ASN 33 N 0.57 0.55 -0.49 1.42 2.35 -1.08 -1.58 115.58 117.31 1q9i h ASN 33 Ca 0.14 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1q9i h ASN 33 Cb 0.25 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1q9i h ASN 33 CO -0.01 0.65 0.32 0.74 -1.65 0.00 0.00 177.43 177.49 1q9i h THR 34 N 0.54 1.08 -0.32 2.81 2.02 -0.91 -0.94 112.91 117.18 1q9i h THR 34 Ca 0.11 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 1q9i h THR 34 Cb 0.43 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1q9i h THR 34 CO 0.02 0.11 -0.19 1.56 0.37 0.00 0.00 175.52 177.39 1q9i h GLN 35 N 0.59 0.69 -0.52 6.66 1.08 -0.65 0.11 115.11 123.07 1q9i h GLN 35 Ca 0.19 -0.32 0.08 0.00 -1.45 0.00 0.00 58.65 57.16 1q9i h GLN 35 Cb 0.04 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.39 1q9i h GLN 35 CO -0.05 0.92 0.14 0.00 -0.95 0.00 0.00 178.83 178.89 1q9i h VAL 37 N 0.29 1.27 -0.42 0.00 2.07 -0.97 0.01 116.25 118.51 1q9i h VAL 37 Ca 0.26 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.50 1q9i h VAL 37 Cb 0.33 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1q9i h VAL 37 CO -0.30 0.43 0.28 0.77 0.02 0.00 0.00 177.57 178.77 1q9i h SER 38 N 0.48 0.26 0.04 0.57 4.64 -0.22 0.37 113.55 119.69 1q9i h SER 38 Ca 0.06 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.01 1q9i h SER 38 Cb 0.73 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.70 1q9i h SER 38 CO 0.06 0.17 -2.36 0.00 -0.87 0.00 0.00 176.83 173.82 1q9i n HIS 40 N -3.11 0.03 0.00 0.00 8.25 -0.03 -5.10 115.22 115.26 1q9i n HIS 40 Ca -0.39 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1q9i n HIS 40 Cb 1.05 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1q9i n HIS 40 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q9i n GLY 41 N 1.27 1.05 3.60 -1.41 0.00 0.11 -4.37 105.19 105.44 1q9i n GLY 41 Ca -0.04 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 1q9i n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q9i s THR 42 N -1.67 1.99 0.24 2.61 -4.23 -1.26 -4.42 115.64 108.91 1q9i s THR 42 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 1q9i s THR 42 Cb 0.00 -2.35 0.22 0.00 1.34 0.00 0.00 72.50 71.72 1q9i s THR 42 CO 0.00 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.18 1q9i h LEU 43 N -2.21 0.83 -1.21 4.79 5.85 -1.91 -0.39 115.31 121.05 1q9i h LEU 43 Ca -0.58 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1q9i h LEU 43 Cb 1.34 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1q9i h LEU 43 CO 0.55 0.52 0.32 0.00 -0.34 0.00 0.00 178.44 179.49 1q9i h ALA 44 N 1.42 1.39 -0.20 1.25 0.00 -1.92 -0.53 119.26 120.67 1q9i h ALA 44 Ca 0.39 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1q9i h ALA 44 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1q9i h ALA 44 CO -0.19 0.49 -0.35 0.93 0.00 0.00 0.00 179.25 180.13 1q9i h GLU 45 N 0.87 0.60 -1.00 0.00 5.08 -1.59 -2.67 114.58 115.87 1q9i h GLU 45 Ca 0.22 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1q9i h GLU 45 Cb 0.05 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1q9i h GLU 45 CO -0.03 0.98 0.65 0.28 -1.00 0.00 0.00 179.01 179.89 1q9i h VAL 46 N 0.28 1.10 -0.15 3.13 2.07 -0.97 -2.80 116.25 118.92 1q9i h VAL 46 Ca 0.01 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1q9i h VAL 46 Cb 0.94 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1q9i h VAL 46 CO 0.08 0.22 0.05 0.00 0.02 0.00 0.00 177.57 177.93 1q9i h ALA 47 N 1.45 1.81 -0.23 1.67 0.00 -0.76 -0.41 119.26 122.80 1q9i h ALA 47 Ca 0.43 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1q9i h ALA 47 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1q9i h ALA 47 CO -0.16 0.16 0.18 0.93 0.00 0.00 0.00 179.25 180.36 1q9i h GLU 48 N 0.20 0.00 -0.01 0.00 4.39 -1.29 -2.09 114.58 115.78 1q9i h GLU 48 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1q9i h GLU 48 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1q9i h GLU 48 CO -0.00 0.00 -0.31 0.25 -1.16 0.00 0.00 179.01 177.78 1q9i n THR 49 N -4.22 0.00 -2.35 1.13 -2.24 -0.17 -4.40 114.28 102.03 1q9i n THR 49 Ca 0.02 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1q9i n THR 49 Cb 0.33 0.71 0.05 0.00 -2.10 0.00 0.00 70.33 69.32 1q9i n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q9i n THR 50 N -0.36 1.79 -2.46 4.28 -2.24 -0.79 -5.08 114.28 109.41 1q9i n THR 50 Ca 0.12 -3.34 -0.41 0.00 -2.27 0.00 0.00 64.05 58.14 1q9i n THR 50 Cb 0.39 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1q9i n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1q9i s LYS 51 N -3.35 4.53 0.33 -0.78 1.02 -1.22 -4.52 119.74 115.75 1q9i s LYS 51 Ca 0.39 1.76 0.10 0.00 0.02 0.00 0.00 55.97 58.24 1q9i s LYS 51 Cb 0.37 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.33 1q9i s LYS 51 CO -0.02 -0.05 -0.06 -1.01 -0.92 0.00 0.00 175.35 173.29 1q9i s HIS 52 N 0.14 2.46 0.24 3.18 3.76 -0.78 -5.05 115.29 119.24 1q9i s HIS 52 Ca 0.52 -0.43 -0.06 0.00 -0.15 0.00 0.00 55.06 54.95 1q9i s HIS 52 Cb -0.30 -1.34 0.33 0.00 1.11 0.00 0.00 32.58 32.38 1q9i s HIS 52 CO 0.34 0.57 1.84 1.49 -0.85 0.00 0.00 174.74 178.13 1q9i h GLU 53 N 1.97 0.91 -0.01 1.40 4.81 -2.03 -3.27 114.58 118.36 1q9i h GLU 53 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1q9i h GLU 53 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1q9i h GLU 53 CO 0.66 0.60 0.00 0.72 -0.73 0.00 0.00 179.01 180.27 1q9i n HIS 54 N -4.64 0.02 -3.57 0.92 8.25 -1.26 -5.05 115.22 109.89 1q9i n HIS 54 Ca 0.12 -0.17 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1q9i n HIS 54 Cb 0.18 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 1q9i n HIS 54 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1q9i s TYR 55 N -0.40 -0.42 -0.29 4.41 1.13 -1.23 -4.83 117.35 115.72 1q9i s TYR 55 Ca 0.02 0.13 -0.08 0.00 -1.41 0.00 0.00 57.07 55.72 1q9i s TYR 55 Cb 0.01 0.61 0.14 0.00 -1.10 0.00 0.00 41.96 41.61 1q9i s TYR 55 CO 0.01 -0.97 0.61 1.21 -2.51 0.00 0.00 175.55 173.90 1q9i s ASN 56 N -2.80 -1.04 0.46 -0.18 3.04 -1.26 -1.87 114.94 111.29 1q9i s ASN 56 Ca 0.04 1.36 0.22 0.00 0.04 0.00 0.00 52.86 54.52 1q9i s ASN 56 Cb -0.03 2.14 1.22 0.00 -1.54 0.00 0.00 41.25 43.04 1q9i s ASN 56 CO -0.06 -0.23 1.89 0.00 -3.04 0.00 0.00 177.10 175.66 1q9i h ALA 57 N 8.03 2.39 -0.42 1.71 0.00 -1.98 -2.37 119.26 126.62 1q9i h ALA 57 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1q9i h ALA 57 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1q9i h ALA 57 CO 0.13 -0.64 0.00 0.72 0.00 0.00 0.00 179.25 179.46 1q9i n HIS 58 N -4.43 0.54 -3.41 0.00 8.25 -1.26 -4.69 115.22 110.22 1q9i n HIS 58 Ca 0.17 -0.28 -0.21 0.00 -0.26 0.00 0.00 57.72 57.14 1q9i n HIS 58 Cb 0.73 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.74 1q9i n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q9i s ALA 59 N -1.41 0.00 0.42 -1.41 0.00 -0.89 -4.50 121.76 113.97 1q9i s ALA 59 Ca 0.39 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1q9i s ALA 59 Cb 0.23 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 1q9i s ALA 59 CO 0.31 -1.99 0.08 -1.13 0.00 0.00 0.00 175.76 173.03 1q9i n SER 60 N 4.52 2.08 0.00 0.00 3.41 -1.26 -4.30 113.62 118.07 1q9i n SER 60 Ca 0.07 -3.05 0.12 0.00 -0.26 0.00 0.00 58.87 55.75 1q9i n SER 60 Cb 0.43 0.70 0.66 0.00 -0.26 0.00 0.00 64.21 65.74 1q9i n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q9i n HIS 61 N -0.99 0.00 -2.15 7.33 1.44 -1.26 -4.83 115.22 114.76 1q9i n HIS 61 Ca -0.11 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.18 1q9i n HIS 61 Cb 0.58 -0.17 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 1q9i n HIS 61 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1q9i s PHE 62 N -2.35 3.21 0.81 -1.40 0.40 -1.26 -4.83 117.98 112.56 1q9i s PHE 62 Ca 0.29 0.92 -0.10 0.00 -0.60 0.00 0.00 56.93 57.43 1q9i s PHE 62 Cb 0.17 -3.71 0.11 0.00 0.51 0.00 0.00 43.02 40.10 1q9i s PHE 62 CO 0.34 -2.49 1.15 -1.25 0.70 0.00 0.00 175.22 173.67 1q9i s PRO 63 N 1.15 1.67 1.16 0.24 0.04 -1.26 -4.95 135.00 133.05 1q9i s PRO 63 Ca 0.65 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1q9i s PRO 63 Cb -0.37 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1q9i s PRO 63 CO 0.30 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1q9i n GLY 64 N -3.26 -1.99 3.22 0.56 0.00 -1.26 -4.68 105.19 97.77 1q9i n GLY 64 Ca 0.10 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1q9i n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q9i s GLU 65 N 0.00 2.53 -0.27 1.61 8.01 -1.26 -5.05 118.70 124.28 1q9i s GLU 65 Ca 0.00 -1.80 -0.29 0.00 0.01 0.00 0.00 54.97 52.89 1q9i s GLU 65 Cb 0.00 -3.96 0.00 0.00 -4.31 0.00 0.00 34.13 25.87 1q9i s GLU 65 CO 0.00 -1.21 1.22 0.08 0.01 0.00 0.00 175.26 175.37 1q9i s VAL 66 N 1.30 4.29 0.33 2.63 1.01 -1.26 -4.98 120.40 123.73 1q9i s VAL 66 Ca 0.06 1.50 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 1q9i s VAL 66 Cb -0.26 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 31.82 1q9i s VAL 66 CO -0.01 -0.38 1.43 0.00 0.00 0.00 0.00 175.10 176.14 1q9i s ALA 67 N 3.93 3.57 0.29 5.51 0.00 -1.26 -4.92 121.76 128.87 1q9i s ALA 67 Ca 0.53 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.94 1q9i s ALA 67 Cb -0.17 -3.56 0.65 0.00 0.00 0.00 0.00 23.12 20.05 1q9i s ALA 67 CO 0.18 -0.86 1.78 0.00 0.00 0.00 0.00 175.76 176.86 1q9i n THR 69 N -4.79 0.25 0.06 0.00 -2.24 -1.26 -1.33 114.28 104.97 1q9i n THR 69 Ca 0.21 0.06 0.07 0.00 -2.27 0.00 0.00 64.05 62.12 1q9i n THR 69 Cb 0.51 -0.76 0.52 0.00 -2.10 0.00 0.00 70.33 68.50 1q9i n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1q9i h SER 70 N 0.00 0.28 0.00 3.42 0.02 -1.51 -3.35 113.55 112.41 1q9i h SER 70 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1q9i h SER 70 Cb 0.09 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1q9i h SER 70 CO 0.00 0.20 -0.88 0.00 -1.14 0.00 0.00 176.83 175.00 1q9i s HIS 72 N -1.88 3.42 0.66 0.00 3.76 -0.44 -3.90 115.29 116.90 1q9i s HIS 72 Ca 0.00 -1.76 -0.11 0.00 -0.15 0.00 0.00 55.06 53.04 1q9i s HIS 72 Cb 0.00 -3.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.04 1q9i s HIS 72 CO 0.00 -0.99 1.05 -1.12 -0.85 0.00 0.00 174.74 172.83 1q9i s SER 73 N 2.76 5.82 -0.20 1.40 0.01 -1.26 -4.05 113.70 118.18 1q9i s SER 73 Ca 0.08 1.44 -0.17 0.00 1.31 0.00 0.00 55.95 58.60 1q9i s SER 73 Cb -0.25 -2.40 -0.14 0.00 0.21 0.00 0.00 66.02 63.45 1q9i s SER 73 CO -0.01 -1.14 -0.00 0.00 0.41 0.00 0.00 173.24 172.50 1q9i n ALA 74 N -2.92 0.78 -0.05 1.44 0.00 -1.26 -4.49 120.51 114.01 1q9i n ALA 74 Ca 0.07 -0.59 0.12 0.00 0.00 0.00 0.00 53.44 53.03 1q9i n ALA 74 Cb 0.54 -0.28 0.27 0.00 0.00 0.00 0.00 19.45 19.98 1q9i n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1q9i n HIS 75 N -4.45 0.75 -3.68 0.00 8.25 -1.26 -0.17 115.22 114.67 1q9i n HIS 75 Ca -0.29 -0.38 -0.12 0.00 -0.26 0.00 0.00 57.72 56.67 1q9i n HIS 75 Cb 0.61 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.66 1q9i n HIS 75 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1q9i s GLU 76 N -1.23 0.93 0.68 -0.41 -1.05 -1.26 -4.96 118.70 111.40 1q9i s GLU 76 Ca 0.44 -0.46 -0.17 0.00 -0.15 0.00 0.00 54.97 54.63 1q9i s GLU 76 Cb 0.24 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.35 1q9i s GLU 76 CO 0.33 -0.33 1.28 0.15 0.95 0.00 0.00 175.26 177.64 1q9i s LYS 77 N -2.77 2.36 0.17 -4.83 1.02 -1.26 -4.51 119.74 109.92 1q9i s LYS 77 Ca -0.03 2.02 -0.01 0.00 0.02 0.00 0.00 55.97 57.96 1q9i s LYS 77 Cb -0.00 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1q9i s LYS 77 CO -0.05 -1.73 0.10 -1.54 -0.92 0.00 0.00 175.35 171.22 1q9i s SER 78 N -1.53 0.21 0.07 2.83 1.04 -0.50 -4.83 113.70 110.99 1q9i s SER 78 Ca 0.81 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 55.96 1q9i s SER 78 Cb -0.36 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 1q9i s SER 78 CO 0.42 -0.80 -0.01 -0.04 0.98 0.00 0.00 173.24 173.79 1q9i s MET 79 N -4.12 2.59 -0.30 4.02 1.00 -1.25 -1.08 119.30 120.16 1q9i s MET 79 Ca 0.33 -0.79 -0.24 0.00 0.00 0.00 0.00 55.69 54.99 1q9i s MET 79 Cb 0.07 -2.56 0.00 0.00 0.00 0.00 0.00 34.83 32.35 1q9i s MET 79 CO 0.08 0.56 0.83 0.08 0.00 0.00 0.00 175.02 176.57 1q9i s VAL 80 N -1.24 4.76 0.36 -6.03 1.01 -1.26 -4.44 120.40 113.56 1q9i s VAL 80 Ca 0.24 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.56 1q9i s VAL 80 Cb -0.12 -4.18 0.28 0.00 0.00 0.00 0.00 36.38 32.36 1q9i s VAL 80 CO 0.16 -0.26 2.00 0.22 0.00 0.00 0.00 175.10 177.22 1q9i h TYR 81 N 8.06 0.75 -0.18 5.22 5.03 -1.92 -0.11 116.97 133.81 1q9i h TYR 81 Ca -0.24 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.14 1q9i h TYR 81 Cb 1.09 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 39.11 1q9i h TYR 81 CO 0.78 0.44 0.18 0.00 -1.32 0.00 0.00 178.16 178.24 1q9i n ASP 83 N -3.93 0.40 0.18 0.00 9.92 -0.05 -1.52 116.55 121.55 1q9i n ASP 83 Ca 0.02 0.63 0.14 0.00 -0.53 0.00 0.00 54.79 55.04 1q9i n ASP 83 Cb 0.31 -0.70 0.56 0.00 -0.64 0.00 0.00 41.12 40.65 1q9i n ASP 83 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1q9i h SER 84 N 0.00 0.00 0.00 -2.24 4.64 -1.44 -3.36 113.55 111.16 1q9i h SER 84 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q9i h SER 84 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1q9i h SER 84 CO 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.46 1q9i s HIS 86 N -1.06 1.96 -0.49 0.00 3.76 -0.58 -4.78 115.29 114.10 1q9i s HIS 86 Ca 0.00 -0.77 0.08 0.00 -0.15 0.00 0.00 55.06 54.22 1q9i s HIS 86 Cb 0.00 -1.18 0.34 0.00 1.11 0.00 0.00 32.58 32.85 1q9i s HIS 86 CO 0.00 0.21 0.85 0.43 -0.85 0.00 0.00 174.74 175.37 1q9i n SER 87 N -0.62 2.92 -4.78 1.40 7.64 -1.26 -4.08 113.62 114.84 1q9i n SER 87 Ca -0.05 -3.39 -0.33 0.00 1.01 0.00 0.00 58.87 56.11 1q9i n SER 87 Cb 0.64 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1q9i n SER 87 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1q9i s PHE 88 N -2.97 2.68 -0.78 1.43 0.08 -1.26 -4.94 117.98 112.21 1q9i s PHE 88 Ca 0.45 1.54 -0.25 0.00 0.12 0.00 0.00 56.93 58.79 1q9i s PHE 88 Cb 0.30 -3.16 0.05 0.00 -0.57 0.00 0.00 43.02 39.63 1q9i s PHE 88 CO -0.11 -1.59 1.24 0.34 -0.10 0.00 0.00 175.22 174.99 1q9i s ASP 89 N -2.51 6.24 0.22 1.36 -1.08 -1.26 -4.97 116.67 114.67 1q9i s ASP 89 Ca 0.67 -0.80 0.10 0.00 -0.52 0.00 0.00 52.55 52.00 1q9i s ASP 89 Cb -0.20 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.69 1q9i s ASP 89 CO 0.39 -1.67 -0.10 -0.36 0.52 0.00 0.00 175.17 173.95 1q9i s PHE 90 N 5.13 2.56 -0.41 -5.34 0.08 -1.26 -5.07 117.98 113.67 1q9i s PHE 90 Ca 0.34 -0.25 0.10 0.00 0.12 0.00 0.00 56.93 57.24 1q9i s PHE 90 Cb -0.08 -1.21 0.34 0.00 -0.57 0.00 0.00 43.02 41.50 1q9i s PHE 90 CO 0.09 0.57 0.76 -1.71 -0.10 0.00 0.00 175.22 174.82 1q9i n ASN 91 N -0.25 1.51 -4.72 1.36 4.05 -1.26 -5.11 115.26 110.83 1q9i n ASN 91 Ca -0.09 -3.12 -0.42 0.00 0.45 0.00 0.00 54.58 51.40 1q9i n ASN 91 Cb 0.57 -0.61 -0.03 0.00 1.23 0.00 0.00 39.78 40.94 1q9i n ASN 91 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1q9i s MET 92 N -2.55 4.35 0.34 1.20 -2.45 -1.26 -4.97 119.30 113.95 1q9i s MET 92 Ca 0.41 2.04 -0.28 0.00 -1.25 0.00 0.00 55.69 56.61 1q9i s MET 92 Cb 0.32 -3.24 -0.12 0.00 1.25 0.00 0.00 34.83 33.04 1q9i s MET 92 CO -0.09 -0.36 1.34 -2.30 1.05 0.00 0.00 175.02 174.65 1q9i n PRO 93 N 3.56 2.21 -2.34 4.11 -0.02 -1.26 -2.67 135.00 138.58 1q9i n PRO 93 Ca 0.10 0.78 -0.19 0.00 -2.02 0.00 0.00 63.50 62.16 1q9i n PRO 93 Cb 0.43 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1q9i n PRO 93 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1q9i n TYR 94 N 0.55 -0.89 -2.10 6.00 4.01 -1.26 -4.89 117.16 118.58 1q9i n TYR 94 Ca 0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1q9i n TYR 94 Cb 0.36 -3.74 0.01 0.00 -0.31 0.00 0.00 39.34 35.66 1q9i n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1q9i s ALA 95 N -2.96 2.69 0.16 -0.72 0.00 -1.09 -1.41 121.76 118.43 1q9i s ALA 95 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1q9i s ALA 95 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1q9i s ALA 95 CO 0.00 -0.83 -0.05 -1.59 0.00 0.00 0.00 175.76 173.28 1q9i s LYS 96 N -3.79 1.06 0.42 0.00 -2.85 -0.24 -4.71 119.74 109.63 1q9i s LYS 96 Ca 0.67 -1.48 -0.26 0.00 -1.00 0.00 0.00 55.97 53.89 1q9i s LYS 96 Cb -0.19 -0.45 -0.09 0.00 -2.06 0.00 0.00 37.83 35.04 1q9i s LYS 96 CO 0.33 -0.02 1.42 0.21 0.10 0.00 0.00 175.35 177.39 1q9i s LYS 97 N -3.82 3.88 0.14 1.78 2.20 -1.26 -4.43 119.74 118.22 1q9i s LYS 97 Ca 0.19 2.41 -0.31 0.00 -0.36 0.00 0.00 55.97 57.90 1q9i s LYS 97 Cb 0.04 -2.78 -0.10 0.00 -1.51 0.00 0.00 37.83 33.48 1q9i s LYS 97 CO 0.01 -0.66 1.76 -0.46 -0.36 0.00 0.00 175.35 175.64 1q9i s TRP 98 N -1.18 2.43 -0.19 4.03 -0.11 -1.26 -4.91 118.94 117.74 1q9i s TRP 98 Ca 0.57 0.16 -0.07 0.00 1.22 0.00 0.00 56.10 57.99 1q9i s TRP 98 Cb -0.43 -4.12 0.08 0.00 -1.50 0.00 0.00 33.47 27.50 1q9i s TRP 98 CO 0.57 -4.47 0.40 -1.17 -4.62 0.00 0.00 176.95 167.66 1q9i s LEU 99 N 2.26 -0.56 -0.32 5.86 2.96 -1.26 -5.05 118.68 122.58 1q9i s LEU 99 Ca 0.78 0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 55.48 1q9i s LEU 99 Cb -0.46 1.26 -0.03 0.00 0.50 0.00 0.00 46.19 47.46 1q9i s LEU 99 CO 0.34 -0.23 0.29 -0.60 -1.32 0.00 0.00 176.35 174.83 1q9i s ARG 100 N 2.50 3.69 -0.41 1.98 6.06 -1.26 -5.00 118.95 126.51 1q9i s ARG 100 Ca -0.02 -0.40 0.02 0.00 -2.50 0.00 0.00 55.73 52.83 1q9i s ARG 100 Cb -0.12 -3.75 0.15 0.00 0.06 0.00 0.00 34.95 31.28 1q9i s ARG 100 CO -0.12 -0.39 0.26 0.34 -2.50 0.00 0.00 175.30 172.89 1q9i s ASP 101 N 1.72 2.96 -0.23 -2.12 -1.08 -1.26 -5.11 116.67 111.56 1q9i s ASP 101 Ca 0.09 -2.62 -0.09 0.00 -0.52 0.00 0.00 52.55 49.41 1q9i s ASP 101 Cb -0.17 -0.68 -0.04 0.00 -1.46 0.00 0.00 42.92 40.57 1q9i s ASP 101 CO 0.11 -0.25 0.13 -0.70 0.52 0.00 0.00 175.17 174.98 1q9i s GLU 102 N 0.47 3.97 0.44 4.34 2.12 -1.26 -5.08 118.70 123.71 1q9i s GLU 102 Ca 0.22 -0.32 -0.25 0.00 0.36 0.00 0.00 54.97 54.97 1q9i s GLU 102 Cb -0.16 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.68 1q9i s GLU 102 CO -0.05 0.04 1.31 -2.30 -0.54 0.00 0.00 175.26 173.72 1q9i n PRO 103 N 4.32 1.97 -1.44 4.30 -0.02 -1.26 -4.98 135.00 137.89 1q9i n PRO 103 Ca -0.15 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 1q9i n PRO 103 Cb 0.52 -2.46 0.10 0.00 -0.02 0.00 0.00 33.50 31.64 1q9i n PRO 103 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1q9i s THR 104 N -1.21 3.13 0.30 3.45 -4.23 -1.26 -4.89 115.64 110.93 1q9i s THR 104 Ca 0.62 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.53 1q9i s THR 104 Cb -0.48 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 70.63 1q9i s THR 104 CO 0.57 -0.48 1.84 0.40 -0.54 0.00 0.00 174.62 176.41 1q9i h ILE 105 N -1.16 0.91 -0.70 2.99 1.08 -1.93 -1.94 117.51 116.76 1q9i h ILE 105 Ca -0.47 -0.32 -0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1q9i h ILE 105 Cb 1.26 -0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 1q9i h ILE 105 CO 0.57 0.17 0.18 0.00 -0.69 0.00 0.00 178.15 178.38 1q9i h ALA 106 N 1.55 1.00 -0.20 1.87 0.00 -1.99 -2.53 119.26 118.97 1q9i h ALA 106 Ca 0.49 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1q9i h ALA 106 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1q9i h ALA 106 CO -0.25 0.65 -0.05 0.93 0.00 0.00 0.00 179.25 180.53 1q9i h GLU 107 N 1.05 0.30 0.00 0.00 5.08 -1.73 -2.29 114.58 116.99 1q9i h GLU 107 Ca 0.22 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1q9i h GLU 107 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1q9i h GLU 107 CO -0.00 0.37 0.00 1.28 -1.00 0.00 0.00 179.01 179.66 1q9i n LEU 108 N -4.32 0.00 0.26 1.33 4.77 -0.91 -1.73 117.00 116.40 1q9i n LEU 108 Ca -0.00 0.46 0.17 0.00 -0.03 0.00 0.00 56.01 56.61 1q9i n LEU 108 Cb 0.23 -0.46 0.91 0.00 -2.33 0.00 0.00 43.42 41.77 1q9i n LEU 108 CO 0.37 -0.23 1.14 0.00 -1.33 0.00 0.00 177.39 177.35 1q9i h ALA 109 N 2.55 1.59 0.00 -1.18 0.00 -1.43 -0.98 119.26 119.81 1q9i h ALA 109 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q9i h ALA 109 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1q9i h ALA 109 CO 0.00 -0.15 0.00 0.87 0.00 0.00 0.00 179.25 179.97 1q9i h LYS 110 N 0.00 0.00 -1.09 0.00 6.56 -1.55 -2.37 116.57 118.11 1q9i h LYS 110 Ca 0.04 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.40 1q9i h LYS 110 Cb 0.26 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 31.79 1q9i h LYS 110 CO -0.00 0.00 0.29 -0.25 -2.06 0.00 0.00 179.45 177.43 1q9i n ASP 111 N -2.90 3.81 -0.20 0.86 8.00 -0.37 -4.56 116.55 121.19 1q9i n ASP 111 Ca -0.02 -2.73 -0.06 0.00 0.71 0.00 0.00 54.79 52.69 1q9i n ASP 111 Cb 0.13 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.51 1q9i n ASP 111 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1q9i h LYS 112 N 0.59 -0.18 -6.36 -1.24 1.63 -1.63 -0.94 116.57 108.43 1q9i h LYS 112 Ca 0.27 0.01 -0.55 0.00 -0.85 0.00 0.00 60.65 59.53 1q9i h LYS 112 Cb 1.65 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 1q9i h LYS 112 CO 0.50 -0.12 0.72 -1.54 -3.45 0.00 0.00 179.45 175.57 1q9i s SER 113 N -5.16 6.99 0.00 4.20 1.04 -1.26 -1.61 113.70 117.90 1q9i s SER 113 Ca -0.14 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1q9i s SER 113 Cb 0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1q9i s SER 113 CO 0.68 -0.61 0.00 -0.62 0.98 0.00 0.00 173.24 173.67 1q9i n GLU 114 N 5.07 0.00 -0.06 4.02 1.02 -1.23 -4.86 120.64 124.60 1q9i n GLU 114 Ca 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 1q9i n GLU 114 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.81 1q9i n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q9i h ARG 115 N 0.00 0.67 -0.57 3.49 3.08 -1.06 -1.29 114.38 118.70 1q9i h ARG 115 Ca 0.00 -0.45 -0.07 0.00 0.07 0.00 0.00 59.98 59.54 1q9i h ARG 115 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1q9i h ARG 115 CO 0.00 1.07 0.09 1.96 -1.07 0.00 0.00 179.97 182.02 1q9i h GLN 116 N 0.37 0.91 -0.46 0.04 4.20 -1.54 -1.46 115.11 117.18 1q9i h GLN 116 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1q9i h GLN 116 Cb 1.06 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1q9i h GLN 116 CO 0.10 0.85 0.30 0.00 -0.67 0.00 0.00 178.83 179.41 1q9i h ALA 117 N 1.23 0.59 -0.23 3.87 0.00 -1.80 -1.18 119.26 121.74 1q9i h ALA 117 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1q9i h ALA 117 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1q9i h ALA 117 CO 0.01 0.05 0.13 0.00 0.00 0.00 0.00 179.25 179.44 1q9i h ALA 118 N 1.16 0.30 0.00 0.00 0.00 -0.86 -2.62 119.26 117.24 1q9i h ALA 118 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1q9i h ALA 118 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1q9i h ALA 118 CO -0.04 -0.18 -0.27 -0.07 0.00 0.00 0.00 179.25 178.69 1q9i h LEU 119 N 0.28 0.00 -0.89 0.00 3.38 -1.09 -1.07 115.31 115.91 1q9i h LEU 119 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1q9i h LEU 119 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1q9i h LEU 119 CO -0.01 0.27 -0.07 0.00 0.09 0.00 0.00 178.44 178.71 1q9i h ALA 120 N 1.73 0.98 -2.43 1.53 0.00 -1.00 -3.46 119.26 116.61 1q9i h ALA 120 Ca -0.00 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 54.35 1q9i h ALA 120 Cb 0.71 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.56 1q9i h ALA 120 CO 0.03 0.09 0.37 -1.12 0.00 0.00 0.00 179.25 178.63 1q9i s SER 121 N -5.98 5.55 0.69 0.00 0.01 -0.41 -5.05 113.70 108.51 1q9i s SER 121 Ca 0.03 1.09 -0.17 0.00 1.31 0.00 0.00 55.95 58.21 1q9i s SER 121 Cb 0.08 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 64.38 1q9i s SER 121 CO 0.61 -1.24 1.27 0.00 0.41 0.00 0.00 173.24 174.29 1q9i s ALA 122 N -3.28 2.24 0.33 1.44 0.00 -1.26 -4.95 121.76 116.28 1q9i s ALA 122 Ca 0.57 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 1q9i s ALA 122 Cb -0.11 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 1q9i s ALA 122 CO 0.51 -1.77 1.37 -1.25 0.00 0.00 0.00 175.76 174.62 1q9i s PRO 123 N -3.58 4.28 0.34 0.00 0.04 -1.26 -4.80 135.00 130.01 1q9i s PRO 123 Ca 0.80 2.32 0.06 0.00 0.04 0.00 0.00 61.00 64.22 1q9i s PRO 123 Cb -0.35 -3.05 0.61 0.00 0.04 0.00 0.00 34.50 31.75 1q9i s PRO 123 CO 0.42 -0.31 1.83 1.25 0.04 0.00 0.00 177.00 180.24 1q9i h HIS 124 N 3.54 0.39 -3.94 0.56 2.76 -0.98 -3.44 115.15 114.04 1q9i h HIS 124 Ca -0.49 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 57.48 1q9i h HIS 124 Cb 1.23 -0.10 -0.18 0.00 1.55 0.00 0.00 27.41 29.90 1q9i h HIS 124 CO 0.56 0.52 -0.61 -0.51 -1.30 0.00 0.00 177.93 176.58 1q9i s ASP 125 N -6.83 0.26 -0.21 3.26 1.11 -1.25 -5.07 116.67 107.93 1q9i s ASP 125 Ca -0.06 -0.60 -0.01 0.00 0.18 0.00 0.00 52.55 52.06 1q9i s ASP 125 Cb 0.15 0.18 0.06 0.00 1.07 0.00 0.00 42.92 44.38 1q9i s ASP 125 CO 0.76 -0.45 -0.01 -0.89 1.18 0.00 0.00 175.17 175.75 1q9i s THR 126 N -2.45 1.06 0.26 -1.27 2.01 -1.26 -1.26 115.64 112.73 1q9i s THR 126 Ca -0.07 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1q9i s THR 126 Cb -0.02 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1q9i s THR 126 CO -0.04 -0.14 0.11 1.33 -0.69 0.00 0.00 174.62 175.18 1q9i n VAL 127 N 4.85 0.00 -0.02 3.82 0.24 -0.42 -5.00 118.33 121.80 1q9i n VAL 127 Ca -0.11 -1.56 -0.21 0.00 -2.04 0.00 0.00 64.34 60.42 1q9i n VAL 127 Cb 0.46 0.59 -0.13 0.00 -1.47 0.00 0.00 33.84 33.28 1q9i n VAL 127 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1q9i h ASP 128 N 1.10 0.30 -3.63 -1.34 3.32 -1.50 -3.34 116.42 111.32 1q9i h ASP 128 Ca -0.20 -0.81 -0.26 0.00 0.02 0.00 0.00 57.03 55.79 1q9i h ASP 128 Cb 0.79 -0.10 -0.30 0.00 0.22 0.00 0.00 39.33 39.94 1q9i h ASP 128 CO 0.32 1.63 -0.71 -0.69 -1.72 0.00 0.00 179.24 178.07 1q9i s VAL 129 N -2.46 -0.03 -0.14 -1.35 1.01 -0.92 -2.21 120.40 114.30 1q9i s VAL 129 Ca -0.22 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1q9i s VAL 129 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.35 1q9i s VAL 129 CO 0.73 0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 175.11 1q9i s VAL 130 N 0.49 3.66 -0.16 2.92 1.01 -0.63 -1.94 120.40 125.74 1q9i s VAL 130 Ca -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1q9i s VAL 130 Cb -0.06 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1q9i s VAL 130 CO -0.01 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1q9i s VAL 131 N 0.27 3.79 -0.37 2.92 1.01 -0.09 -0.60 120.40 127.32 1q9i s VAL 131 Ca -0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1q9i s VAL 131 Cb -0.14 -2.67 0.04 0.00 0.00 0.00 0.00 36.38 33.61 1q9i s VAL 131 CO 0.04 0.48 0.18 -0.69 0.00 0.00 0.00 175.10 175.11 1q9i s VAL 132 N 0.52 4.19 0.00 2.92 1.01 0.07 -1.05 120.40 128.06 1q9i s VAL 132 Ca -0.03 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1q9i s VAL 132 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1q9i s VAL 132 CO 0.03 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1q9i n GLY 133 N 4.91 3.36 2.07 4.51 0.00 0.65 -0.20 105.19 120.50 1q9i n GLY 133 Ca -0.12 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 1q9i n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q9i n SER 134 N 0.00 5.00 -2.63 1.61 3.41 -1.25 -3.90 113.62 115.85 1q9i n SER 134 Ca 0.00 -3.72 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1q9i n SER 134 Cb 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1q9i n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q9i n GLY 135 N -1.03 -0.61 0.25 5.00 0.00 -1.26 -1.04 105.19 106.50 1q9i n GLY 135 Ca 0.55 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1q9i n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q9i h GLY 136 N 0.00 0.72 0.98 -0.02 0.00 -1.92 -2.07 103.07 100.75 1q9i h GLY 136 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 1q9i h GLY 136 CO 0.00 0.57 -0.17 0.00 0.00 0.00 0.00 176.54 176.94 1q9i h ALA 137 N 1.13 0.51 -0.17 3.60 0.00 -1.89 -1.56 119.26 120.88 1q9i h ALA 137 Ca 0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1q9i h ALA 137 Cb 0.75 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1q9i h ALA 137 CO 0.06 0.43 -0.11 0.78 0.00 0.00 0.00 179.25 180.41 1q9i h GLY 138 N 0.54 0.41 1.07 0.00 0.00 -1.65 -0.99 103.07 102.44 1q9i h GLY 138 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1q9i h GLY 138 CO 0.05 0.35 0.40 0.74 0.00 0.00 0.00 176.54 178.08 1q9i h PHE 139 N 0.04 1.21 -0.61 5.60 0.04 -1.43 -0.36 116.94 121.42 1q9i h PHE 139 Ca 0.03 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1q9i h PHE 139 Cb 0.62 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1q9i h PHE 139 CO 0.07 0.87 0.33 0.77 -0.60 0.00 0.00 178.31 179.75 1q9i h SER 140 N 1.19 0.77 -0.44 2.17 0.02 -1.05 -0.86 113.55 115.35 1q9i h SER 140 Ca 0.29 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1q9i h SER 140 Cb 0.12 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1q9i h SER 140 CO -0.04 0.65 0.08 0.00 -1.14 0.00 0.00 176.83 176.38 1q9i h ALA 141 N 1.15 0.59 -0.57 3.77 0.00 -0.97 -0.07 119.26 123.16 1q9i h ALA 141 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1q9i h ALA 141 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1q9i h ALA 141 CO -0.03 0.31 0.21 0.00 0.00 0.00 0.00 179.25 179.74 1q9i h ALA 142 N 0.95 0.74 -0.19 0.00 0.00 -0.80 -0.87 119.26 119.09 1q9i h ALA 142 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1q9i h ALA 142 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1q9i h ALA 142 CO 0.01 0.36 -0.04 0.82 0.00 0.00 0.00 179.25 180.40 1q9i h ILE 143 N 0.78 1.28 -0.50 0.00 2.04 -1.03 -1.92 117.51 118.17 1q9i h ILE 143 Ca 0.19 -1.01 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 1q9i h ILE 143 Cb 0.22 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1q9i h ILE 143 CO -0.01 0.30 -0.07 0.77 0.00 0.00 0.00 178.15 179.14 1q9i h SER 144 N 0.07 0.87 -0.42 1.72 4.64 -0.89 0.91 113.55 120.45 1q9i h SER 144 Ca 0.05 -0.26 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 1q9i h SER 144 Cb 0.48 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1q9i h SER 144 CO 0.02 0.98 -0.09 0.00 -0.87 0.00 0.00 176.83 176.86 1q9i h ALA 145 N 1.11 0.57 -0.48 5.18 0.00 -1.17 -1.29 119.26 123.18 1q9i h ALA 145 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1q9i h ALA 145 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1q9i h ALA 145 CO 0.04 0.44 0.21 1.15 0.00 0.00 0.00 179.25 181.09 1q9i h THR 146 N 0.62 1.20 0.00 0.00 2.02 -0.82 -0.75 112.91 115.19 1q9i h THR 146 Ca 0.11 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1q9i h THR 146 Cb 0.62 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1q9i h THR 146 CO 0.04 0.23 0.00 0.44 0.37 0.00 0.00 175.52 176.60 1q9i h ASP 147 N 0.64 0.00 -0.27 4.18 3.32 -0.56 -1.38 116.42 122.34 1q9i h ASP 147 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1q9i h ASP 147 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1q9i h ASP 147 CO -0.02 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.30 1q9i n SER 148 N -3.06 1.93 0.00 6.45 7.64 -0.51 -4.91 113.62 121.15 1q9i n SER 148 Ca -0.00 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.03 1q9i n SER 148 Cb 0.24 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1q9i n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q9i n GLY 149 N 1.14 0.86 3.86 0.23 0.00 -0.52 -4.89 105.19 105.87 1q9i n GLY 149 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1q9i n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9i s ALA 150 N -2.05 3.60 -0.20 4.61 0.00 -0.36 -5.01 121.76 122.35 1q9i s ALA 150 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.55 1q9i s ALA 150 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1q9i s ALA 150 CO 0.00 0.49 0.60 0.21 0.00 0.00 0.00 175.76 177.06 1q9i s LYS 151 N -2.20 4.20 0.06 0.00 2.47 -1.26 -3.93 119.74 119.08 1q9i s LYS 151 Ca 0.40 0.57 0.09 0.00 -1.56 0.00 0.00 55.97 55.47 1q9i s LYS 151 Cb -0.14 -3.58 -0.03 0.00 -1.46 0.00 0.00 37.83 32.62 1q9i s LYS 151 CO 0.20 -0.23 -0.25 0.08 0.16 0.00 0.00 175.35 175.31 1q9i s VAL 152 N 1.88 2.30 -0.12 4.02 1.01 -1.26 -1.36 120.40 126.87 1q9i s VAL 152 Ca 0.27 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1q9i s VAL 152 Cb -0.16 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 1q9i s VAL 152 CO 0.10 0.31 -0.19 -0.63 0.00 0.00 0.00 175.10 174.69 1q9i s ILE 153 N -0.88 2.50 -0.21 2.22 1.01 -0.82 -4.08 121.20 120.94 1q9i s ILE 153 Ca 0.13 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1q9i s ILE 153 Cb -0.10 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1q9i s ILE 153 CO 0.03 0.54 0.04 -0.22 0.00 0.00 0.00 174.94 175.33 1q9i s LEU 154 N 0.44 3.46 0.09 2.97 2.96 0.31 -0.92 118.68 128.00 1q9i s LEU 154 Ca -0.13 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1q9i s LEU 154 Cb -0.17 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1q9i s LEU 154 CO 0.06 0.06 -0.16 0.27 -1.32 0.00 0.00 176.35 175.26 1q9i s ILE 155 N 1.04 2.99 -0.03 6.68 -4.36 -0.22 -0.99 121.20 126.31 1q9i s ILE 155 Ca 0.03 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.09 1q9i s ILE 155 Cb -0.14 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.25 1q9i s ILE 155 CO 0.02 0.17 -0.00 -0.70 0.24 0.00 0.00 174.94 174.68 1q9i s GLU 156 N -1.95 0.32 0.19 0.37 2.56 -0.34 -0.25 118.70 119.60 1q9i s GLU 156 Ca 0.18 0.07 0.02 0.00 0.00 0.00 0.00 54.97 55.24 1q9i s GLU 156 Cb -0.11 -0.50 0.08 0.00 2.00 0.00 0.00 34.13 35.60 1q9i s GLU 156 CO 0.10 -0.14 1.44 1.57 -0.56 0.00 0.00 175.26 177.67 1q9i h LYS 157 N 7.28 0.27 -7.44 4.30 2.10 -1.79 0.68 116.57 121.98 1q9i h LYS 157 Ca -0.42 -0.24 -0.48 0.00 -2.00 0.00 0.00 60.65 57.52 1q9i h LYS 157 Cb 1.13 0.06 0.12 0.00 -0.90 0.00 0.00 32.23 32.64 1q9i h LYS 157 CO 0.47 0.91 0.32 -1.21 -2.00 0.00 0.00 179.45 177.93 1q9i s GLU 158 N -3.48 1.69 0.14 0.07 0.41 -1.26 -3.89 118.70 112.37 1q9i s GLU 158 Ca -0.04 0.51 0.24 0.00 -0.41 0.00 0.00 54.97 55.27 1q9i s GLU 158 Cb 0.11 -1.88 0.92 0.00 -1.78 0.00 0.00 34.13 31.49 1q9i s GLU 158 CO 0.82 -1.87 1.74 -0.35 -0.49 0.00 0.00 175.26 175.12 1q9i n PRO 159 N -3.58 0.14 -4.23 0.39 -0.04 -1.26 -2.30 135.00 124.12 1q9i n PRO 159 Ca 0.07 0.23 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 1q9i n PRO 159 Cb 0.57 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 1q9i n PRO 159 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1q9i s VAL 160 N -3.12 1.38 0.78 0.52 -7.23 -1.26 -4.66 120.40 106.81 1q9i s VAL 160 Ca 0.09 -1.50 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 1q9i s VAL 160 Cb 0.13 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 35.76 1q9i s VAL 160 CO 0.47 -0.22 1.09 0.27 -0.31 0.00 0.00 175.10 176.40 1q9i s ILE 161 N -1.46 3.30 0.00 -0.62 -4.36 -1.26 -4.66 121.20 112.14 1q9i s ILE 161 Ca 0.04 0.42 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 1q9i s ILE 161 Cb -0.09 -3.15 0.00 0.00 1.25 0.00 0.00 42.46 40.48 1q9i s ILE 161 CO 0.03 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.27 1q9i n GLY 162 N -2.00 1.91 7.00 6.27 0.00 -0.20 -4.91 105.19 113.26 1q9i n GLY 162 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1q9i n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9i n GLY 163 N -1.27 2.33 0.22 -0.02 0.00 -1.26 -1.35 105.19 103.84 1q9i n GLY 163 Ca 0.00 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1q9i n GLY 163 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1q9i h ASN 164 N 5.25 0.00 -0.45 1.61 2.35 -1.96 -3.35 115.58 119.02 1q9i h ASN 164 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1q9i h ASN 164 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1q9i h ASN 164 CO 0.00 0.03 0.14 0.00 -1.65 0.00 0.00 177.43 175.94 1q9i h ALA 165 N 1.97 1.28 0.00 -0.83 0.00 -1.60 -0.83 119.26 119.25 1q9i h ALA 165 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1q9i h ALA 165 Cb 1.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1q9i h ALA 165 CO 0.00 0.51 0.00 0.36 0.00 0.00 0.00 179.25 180.12 1q9i n LYS 166 N -4.29 0.10 0.00 0.00 2.85 -0.72 -1.53 118.16 114.56 1q9i n LYS 166 Ca 0.04 0.47 0.12 0.00 -1.05 0.00 0.00 58.31 57.88 1q9i n LYS 166 Cb 0.21 -1.74 0.14 0.00 -0.65 0.00 0.00 35.03 32.99 1q9i n LYS 166 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1q9i n LEU 167 N -1.93 1.25 -4.78 -5.58 4.77 -0.32 -2.20 117.00 108.22 1q9i n LEU 167 Ca 0.01 -0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 1q9i n LEU 167 Cb 0.11 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1q9i n LEU 167 CO 0.11 0.25 1.13 0.00 -1.33 0.00 0.00 177.39 177.55 1q9i s ALA 168 N -2.67 3.57 -0.00 -1.18 0.00 -0.58 -4.82 121.76 116.08 1q9i s ALA 168 Ca 0.17 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 53.66 1q9i s ALA 168 Cb 0.18 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1q9i s ALA 168 CO 0.63 -1.01 -0.02 0.00 0.00 0.00 0.00 175.76 175.36 1q9i n ALA 169 N 0.58 1.93 0.18 0.00 0.00 -1.26 -0.54 120.51 121.39 1q9i n ALA 169 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1q9i n ALA 169 Cb 0.39 0.03 0.42 0.00 0.00 0.00 0.00 19.45 20.29 1q9i n ALA 169 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q9i h GLY 170 N -0.06 0.07 0.00 0.00 0.00 -1.92 -2.34 103.07 98.82 1q9i h GLY 170 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1q9i h GLY 170 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.20 1q9i n GLY 171 N -0.78 -0.69 3.16 4.60 0.00 -1.26 -4.70 105.19 105.52 1q9i n GLY 171 Ca -0.02 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 1q9i n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1q9i s MET 172 N -1.49 2.66 0.29 1.61 1.75 0.39 -4.19 119.30 120.32 1q9i s MET 172 Ca 0.00 -1.09 -0.29 0.00 -1.25 0.00 0.00 55.69 53.06 1q9i s MET 172 Cb 0.00 -2.95 -0.10 0.00 2.84 0.00 0.00 34.83 34.62 1q9i s MET 172 CO 0.00 -0.45 1.10 -0.80 -0.65 0.00 0.00 175.02 174.22 1q9i s ASN 173 N 1.26 7.22 -0.09 1.11 0.01 -0.24 -0.76 114.94 123.44 1q9i s ASN 173 Ca -0.02 2.26 -0.30 0.00 -0.71 0.00 0.00 52.86 54.09 1q9i s ASN 173 Cb -0.17 -2.62 0.11 0.00 0.41 0.00 0.00 41.25 38.97 1q9i s ASN 173 CO -0.05 -0.18 0.93 0.00 -1.51 0.00 0.00 177.10 176.30 1q9i s ALA 174 N -1.20 -1.88 -0.05 0.60 0.00 -0.94 -4.67 121.76 113.61 1q9i s ALA 174 Ca 0.46 1.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.54 1q9i s ALA 174 Cb -0.31 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.63 1q9i s ALA 174 CO 0.40 -0.46 0.51 0.00 0.00 0.00 0.00 175.76 176.22 1q9i s ALA 175 N -1.88 -1.32 -0.44 0.00 0.00 -1.26 -4.63 121.76 112.22 1q9i s ALA 175 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1q9i s ALA 175 Cb -0.01 -0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.15 1q9i s ALA 175 CO -0.02 -0.31 0.30 -0.46 0.00 0.00 0.00 175.76 175.27 1q9i s TRP 176 N -1.11 3.33 0.51 0.00 -0.00 -1.26 -3.93 118.94 116.48 1q9i s TRP 176 Ca -0.11 -1.46 -0.06 0.00 -0.00 0.00 0.00 56.10 54.47 1q9i s TRP 176 Cb -0.03 -3.10 -0.03 0.00 -0.00 0.00 0.00 33.47 30.31 1q9i s TRP 176 CO 0.07 -0.87 0.82 0.95 -0.00 0.00 0.00 176.95 177.92 1q9i s THR 177 N 1.46 4.76 0.32 5.86 -4.23 -1.26 -4.95 115.64 117.59 1q9i s THR 177 Ca 0.04 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1q9i s THR 177 Cb -0.24 -3.82 0.30 0.00 1.34 0.00 0.00 72.50 70.08 1q9i s THR 177 CO 0.03 -0.84 1.86 0.44 -0.54 0.00 0.00 174.62 175.57 1q9i h ASP 178 N 0.13 0.81 -0.66 3.99 3.32 -1.99 -1.78 116.42 120.24 1q9i h ASP 178 Ca -0.46 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1q9i h ASP 178 Cb 1.21 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1q9i h ASP 178 CO 0.62 0.44 0.40 1.56 -1.72 0.00 0.00 179.24 180.53 1q9i h GLN 179 N 0.87 0.90 -0.29 3.56 7.50 -1.93 -0.30 115.11 125.43 1q9i h GLN 179 Ca 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 58.65 59.50 1q9i h GLN 179 Cb 0.54 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1q9i h GLN 179 CO -0.22 0.65 0.10 1.96 -1.50 0.00 0.00 178.83 179.82 1q9i h GLN 180 N 0.90 0.45 -0.98 1.46 4.20 -1.78 -2.85 115.11 116.51 1q9i h GLN 180 Ca 0.24 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1q9i h GLN 180 Cb -0.02 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.64 1q9i h GLN 180 CO -0.04 0.49 0.64 0.87 -0.67 0.00 0.00 178.83 180.11 1q9i h LYS 181 N 0.32 1.21 0.00 1.46 1.57 -0.89 0.17 116.57 120.41 1q9i h LYS 181 Ca 0.10 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1q9i h LYS 181 Cb 0.22 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1q9i h LYS 181 CO -0.01 0.80 -0.07 0.00 -0.57 0.00 0.00 179.45 179.60 1q9i h ALA 182 N 1.40 1.44 -0.70 3.86 0.00 -0.92 -1.48 119.26 122.87 1q9i h ALA 182 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1q9i h ALA 182 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1q9i h ALA 182 CO -0.12 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.85 1q9i n LYS 183 N -3.82 3.17 -3.04 0.00 4.76 -0.43 -4.95 118.16 113.86 1q9i n LYS 183 Ca -0.02 -2.76 -0.20 0.00 -2.87 0.00 0.00 58.31 52.45 1q9i n LYS 183 Cb 0.17 -1.71 0.04 0.00 -1.84 0.00 0.00 35.03 31.69 1q9i n LYS 183 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1q9i n LYS 184 N 1.42 -4.94 -3.84 1.97 4.01 -0.56 -4.99 118.16 111.23 1q9i n LYS 184 Ca 0.25 0.81 -0.35 0.00 -0.51 0.00 0.00 58.31 58.51 1q9i n LYS 184 Cb 0.74 -5.51 -0.08 0.00 -0.51 0.00 0.00 35.03 29.66 1q9i n LYS 184 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1q9i s ILE 185 N -3.15 5.26 -0.24 -0.18 1.01 -0.08 -5.01 121.20 118.81 1q9i s ILE 185 Ca 0.32 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 1q9i s ILE 185 Cb -0.14 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1q9i s ILE 185 CO 0.40 0.49 0.10 -0.89 0.00 0.00 0.00 174.94 175.03 1q9i s THR 186 N 0.04 4.71 0.36 2.92 2.01 -1.26 -4.01 115.64 120.41 1q9i s THR 186 Ca 0.09 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 1q9i s THR 186 Cb -0.11 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.21 1q9i s THR 186 CO -0.00 0.36 0.50 -0.62 -0.69 0.00 0.00 174.62 174.16 1q9i s ASP 187 N 1.25 1.02 -0.01 3.53 -1.08 -1.26 -4.94 116.67 115.17 1q9i s ASP 187 Ca 0.05 -1.53 -0.28 0.00 -0.52 0.00 0.00 52.55 50.27 1q9i s ASP 187 Cb -0.14 0.69 0.07 0.00 -1.46 0.00 0.00 42.92 42.07 1q9i s ASP 187 CO 0.04 -1.34 0.63 -0.94 0.52 0.00 0.00 175.17 174.09 1q9i s SER 188 N -3.26 -0.60 0.32 -0.34 1.04 -1.26 -4.71 113.70 104.88 1q9i s SER 188 Ca 0.30 0.54 0.02 0.00 0.48 0.00 0.00 55.95 57.29 1q9i s SER 188 Cb -0.01 0.53 0.57 0.00 0.10 0.00 0.00 66.02 67.21 1q9i s SER 188 CO 0.21 -0.66 1.93 -0.65 0.98 0.00 0.00 173.24 175.05 1q9i h PRO 189 N 2.89 0.95 -0.70 4.02 0.11 -1.87 -1.68 132.00 135.72 1q9i h PRO 189 Ca -0.28 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.83 1q9i h PRO 189 Cb 1.17 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 1q9i h PRO 189 CO 0.39 0.63 0.40 0.93 -0.21 0.00 0.00 178.00 180.14 1q9i h GLU 190 N 0.97 0.72 -0.17 1.05 3.07 -1.94 0.12 114.58 118.41 1q9i h GLU 190 Ca 0.36 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1q9i h GLU 190 Cb 0.17 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1q9i h GLU 190 CO -0.13 0.48 -0.55 1.25 -1.40 0.00 0.00 179.01 178.66 1q9i h LEU 191 N 0.74 0.55 -0.31 1.33 5.85 -1.81 -0.40 115.31 121.26 1q9i h LEU 191 Ca 0.31 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1q9i h LEU 191 Cb 0.17 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1q9i h LEU 191 CO -0.17 0.99 0.10 -0.03 -0.34 0.00 0.00 178.44 178.98 1q9i h MET 192 N 0.38 0.48 -0.41 1.25 4.05 -0.85 -0.61 114.93 119.21 1q9i h MET 192 Ca 0.01 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.41 1q9i h MET 192 Cb 1.08 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.73 1q9i h MET 192 CO 0.10 0.52 -0.06 0.35 0.23 0.00 0.00 176.91 178.05 1q9i h PHE 193 N 0.34 -0.14 -0.20 1.39 3.04 -0.60 -0.43 116.94 120.34 1q9i h PHE 193 Ca 0.10 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 1q9i h PHE 193 Cb 0.25 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 1q9i h PHE 193 CO 0.01 -0.14 0.11 1.49 -2.02 0.00 0.00 178.31 177.75 1q9i h GLU 194 N 0.04 0.28 -0.75 1.11 4.81 -0.86 -0.72 114.58 118.49 1q9i h GLU 194 Ca 0.20 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1q9i h GLU 194 Cb 0.30 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1q9i h GLU 194 CO -0.39 0.28 0.47 -0.44 -0.73 0.00 0.00 179.01 178.20 1q9i h ASP 195 N 0.21 0.77 0.08 1.04 3.32 -1.00 -1.33 116.42 119.50 1q9i h ASP 195 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1q9i h ASP 195 Cb 0.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1q9i h ASP 195 CO -0.01 0.52 -0.04 0.74 -1.72 0.00 0.00 179.24 178.73 1q9i h THR 196 N 0.91 1.05 -0.35 0.35 2.02 -0.64 0.19 112.91 116.43 1q9i h THR 196 Ca 0.31 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1q9i h THR 196 Cb 0.04 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1q9i h THR 196 CO -0.12 0.11 0.22 0.24 0.37 0.00 0.00 175.52 176.34 1q9i h MET 197 N -0.31 0.44 -0.56 6.66 2.86 -1.08 -0.28 114.93 122.66 1q9i h MET 197 Ca -0.01 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1q9i h MET 197 Cb 0.26 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1q9i h MET 197 CO 0.02 0.29 0.24 -0.22 1.06 0.00 0.00 176.91 178.30 1q9i h LYS 198 N 0.46 0.82 -0.65 1.72 3.64 -1.20 0.19 116.57 121.55 1q9i h LYS 198 Ca 0.13 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1q9i h LYS 198 Cb -0.04 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1q9i h LYS 198 CO -0.04 0.70 0.35 0.78 -2.27 0.00 0.00 179.45 178.97 1q9i h GLY 199 N 0.76 0.96 -0.93 5.01 0.00 -0.63 -1.90 103.07 106.33 1q9i h GLY 199 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1q9i h GLY 199 CO -0.02 0.40 0.00 0.61 0.00 0.00 0.00 176.54 177.53 1q9i n GLY 200 N -1.24 0.31 2.39 4.60 0.00 -0.15 -4.28 105.19 106.83 1q9i n GLY 200 Ca 0.06 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1q9i n GLY 200 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1q9i n GLN 201 N 0.12 -1.56 -1.78 1.61 6.02 -0.71 -1.94 117.38 119.13 1q9i n GLN 201 Ca 0.07 0.97 -0.19 0.00 -0.01 0.00 0.00 57.00 57.84 1q9i n GLN 201 Cb 0.23 -5.55 -0.06 0.00 1.02 0.00 0.00 30.24 25.88 1q9i n GLN 201 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1q9i n ASN 202 N -1.73 -5.20 0.06 1.08 3.02 0.02 -4.86 115.26 107.65 1q9i n ASN 202 Ca -0.23 0.36 -0.02 0.00 -0.03 0.00 0.00 54.58 54.65 1q9i n ASN 202 Cb 0.68 -4.55 -0.07 0.00 -0.61 0.00 0.00 39.78 35.23 1q9i n ASN 202 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1q9i h ILE 203 N 0.00 0.89 -3.35 2.41 1.08 -1.74 -3.48 117.51 113.34 1q9i h ILE 203 Ca -0.41 -2.46 -0.57 0.00 -0.39 0.00 0.00 64.86 61.03 1q9i h ILE 203 Cb 1.28 2.36 0.14 0.00 -3.07 0.00 0.00 36.82 37.54 1q9i h ILE 203 CO 0.57 0.51 0.17 0.59 -0.69 0.00 0.00 178.15 179.30 1q9i n ASN 204 N -3.10 1.16 -4.61 1.72 5.03 -1.26 -4.76 115.26 109.44 1q9i n ASN 204 Ca -0.06 0.94 -0.43 0.00 0.87 0.00 0.00 54.58 55.90 1q9i n ASN 204 Cb 0.87 -1.38 -0.03 0.00 -1.02 0.00 0.00 39.78 38.22 1q9i n ASN 204 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1q9i s ASP 205 N -0.93 6.14 0.55 6.41 -1.08 0.59 -4.90 116.67 123.45 1q9i s ASP 205 Ca 0.68 1.44 0.22 0.00 -0.52 0.00 0.00 52.55 54.37 1q9i s ASP 205 Cb -0.49 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 39.92 1q9i s ASP 205 CO 0.53 -1.48 2.17 1.55 0.52 0.00 0.00 175.17 178.46 1q9i h PRO 206 N 11.76 0.00 -0.58 4.34 0.13 -1.90 -1.26 132.00 144.48 1q9i h PRO 206 Ca -0.34 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.69 1q9i h PRO 206 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1q9i h PRO 206 CO 1.02 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.73 1q9i h ALA 207 N 1.97 0.79 -0.27 -0.56 0.00 -1.95 -0.43 119.26 118.81 1q9i h ALA 207 Ca 0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1q9i h ALA 207 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1q9i h ALA 207 CO -0.00 0.67 -0.55 -0.07 0.00 0.00 0.00 179.25 179.31 1q9i h LEU 208 N 0.96 0.92 -1.23 0.00 3.38 -1.59 -2.49 115.31 115.24 1q9i h LEU 208 Ca 0.16 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1q9i h LEU 208 Cb 0.63 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1q9i h LEU 208 CO 0.04 1.28 0.17 0.58 0.09 0.00 0.00 178.44 180.60 1q9i h VAL 209 N 0.63 1.19 -0.51 1.22 2.07 -1.17 -1.31 116.25 118.37 1q9i h VAL 209 Ca 0.01 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1q9i h VAL 209 Cb 1.14 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1q9i h VAL 209 CO 0.12 0.24 0.11 0.50 0.02 0.00 0.00 177.57 178.56 1q9i h LYS 210 N 0.70 0.79 -0.21 1.57 3.64 -0.87 0.10 116.57 122.29 1q9i h LYS 210 Ca 0.17 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1q9i h LYS 210 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1q9i h LYS 210 CO -0.01 0.72 0.06 0.28 -2.27 0.00 0.00 179.45 178.22 1q9i h VAL 211 N 0.76 1.20 -0.29 2.00 2.07 -0.98 -0.47 116.25 120.54 1q9i h VAL 211 Ca 0.17 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1q9i h VAL 211 Cb 0.30 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1q9i h VAL 211 CO 0.00 0.20 -0.01 0.25 0.02 0.00 0.00 177.57 178.03 1q9i h LEU 212 N 0.16 -0.15 -0.03 2.57 5.85 -0.57 0.05 115.31 123.18 1q9i h LEU 212 Ca 0.07 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1q9i h LEU 212 Cb 0.26 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1q9i h LEU 212 CO -0.00 -0.04 -0.25 0.77 -0.34 0.00 0.00 178.44 178.58 1q9i h SER 213 N 0.07 0.27 0.33 1.25 4.64 -0.79 -2.95 113.55 116.36 1q9i h SER 213 Ca 0.14 -0.69 -0.08 0.00 -0.47 0.00 0.00 61.79 60.68 1q9i h SER 213 Cb 0.19 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1q9i h SER 213 CO -0.25 0.92 -0.37 0.77 -0.87 0.00 0.00 176.83 177.03 1q9i h SER 214 N -0.36 0.07 0.20 4.97 4.64 -1.04 -2.69 113.55 119.35 1q9i h SER 214 Ca -0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1q9i h SER 214 Cb 0.93 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1q9i h SER 214 CO 0.05 0.44 -0.30 1.41 -0.87 0.00 0.00 176.83 177.57 1q9i n HIS 215 N -4.08 0.00 -0.16 4.77 -0.00 -0.00 -4.55 115.22 111.20 1q9i n HIS 215 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.62 1q9i n HIS 215 Cb 0.42 -0.11 0.01 0.00 -0.00 0.00 0.00 29.99 30.31 1q9i n HIS 215 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1q9i h SER 216 N 1.36 0.60 -0.27 0.41 4.64 -1.29 -0.92 113.55 118.08 1q9i h SER 216 Ca 0.00 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1q9i h SER 216 Cb 0.54 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1q9i h SER 216 CO 0.00 0.53 0.11 0.50 -0.87 0.00 0.00 176.83 177.10 1q9i h LYS 217 N 0.61 0.40 -0.98 4.77 3.64 -1.78 -1.84 116.57 121.39 1q9i h LYS 217 Ca 0.16 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.60 1q9i h LYS 217 Cb 0.08 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1q9i h LYS 217 CO -0.02 0.42 0.62 -0.44 -2.27 0.00 0.00 179.45 177.76 1q9i h ASP 218 N 0.28 0.86 -0.50 4.20 3.32 -1.75 0.16 116.42 123.00 1q9i h ASP 218 Ca 0.09 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 1q9i h ASP 218 Cb 0.17 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1q9i h ASP 218 CO -0.01 0.44 -0.15 0.28 -1.72 0.00 0.00 179.24 178.08 1q9i h SER 219 N 0.91 1.01 -0.73 6.45 0.02 -0.79 0.23 113.55 120.66 1q9i h SER 219 Ca 0.50 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1q9i h SER 219 Cb 0.57 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1q9i h SER 219 CO -0.26 1.14 0.35 0.58 -1.14 0.00 0.00 176.83 177.50 1q9i h VAL 220 N 0.88 1.24 -0.64 2.27 2.07 -0.50 -1.68 116.25 119.88 1q9i h VAL 220 Ca 0.13 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1q9i h VAL 220 Cb 0.72 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1q9i h VAL 220 CO 0.06 0.28 0.26 0.44 0.02 0.00 0.00 177.57 178.63 1q9i h ASP 221 N 1.02 0.88 -0.36 0.57 3.32 -0.35 -1.05 116.42 120.45 1q9i h ASP 221 Ca 0.25 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1q9i h ASP 221 Cb 0.12 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1q9i h ASP 221 CO -0.03 0.80 0.14 -0.25 -1.72 0.00 0.00 179.24 178.18 1q9i h TRP 222 N 0.90 0.55 -0.71 4.55 7.01 -0.39 0.98 115.95 128.85 1q9i h TRP 222 Ca 0.21 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1q9i h TRP 222 Cb 0.19 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1q9i h TRP 222 CO 0.01 0.52 0.42 0.52 -2.79 0.00 0.00 178.44 177.12 1q9i h MET 223 N 0.43 0.96 -0.51 2.65 2.86 -1.23 -2.44 114.93 117.65 1q9i h MET 223 Ca 0.12 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1q9i h MET 223 Cb 0.20 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1q9i h MET 223 CO -0.01 0.69 -0.06 1.15 1.06 0.00 0.00 176.91 179.75 1q9i h THR 224 N 0.97 1.27 -0.14 2.22 2.02 -0.86 -1.26 112.91 117.12 1q9i h THR 224 Ca 0.25 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1q9i h THR 224 Cb -0.02 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1q9i h THR 224 CO -0.05 0.41 0.05 0.00 0.37 0.00 0.00 175.52 176.31 1q9i h ALA 225 N 0.92 1.82 -0.00 6.16 0.00 -0.62 -0.44 119.26 127.11 1q9i h ALA 225 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q9i h ALA 225 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1q9i h ALA 225 CO 0.04 0.15 -0.04 -1.33 0.00 0.00 0.00 179.25 178.07 1q9i n MET 226 N -4.47 0.24 0.00 0.00 2.81 -0.77 -4.90 117.12 110.03 1q9i n MET 226 Ca -0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1q9i n MET 226 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1q9i n MET 226 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q9i n GLY 227 N 1.39 1.12 3.78 3.03 0.00 -0.17 -4.92 105.19 109.41 1q9i n GLY 227 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1q9i n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9i s ALA 228 N -2.00 3.10 -0.43 4.61 0.00 -0.55 -4.97 121.76 121.52 1q9i s ALA 228 Ca 0.00 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1q9i s ALA 228 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1q9i s ALA 228 CO 0.00 -0.25 0.43 0.34 0.00 0.00 0.00 175.76 176.27 1q9i s ASP 229 N -1.50 6.18 -0.25 0.00 2.15 -1.26 -4.34 116.67 117.65 1q9i s ASP 229 Ca 0.57 -0.77 0.11 0.00 0.43 0.00 0.00 52.55 52.89 1q9i s ASP 229 Cb -0.23 -2.22 0.46 0.00 -0.30 0.00 0.00 42.92 40.63 1q9i s ASP 229 CO 0.29 -0.59 1.18 0.18 -0.17 0.00 0.00 175.17 176.07 1q9i n LEU 230 N 5.54 3.74 0.10 -1.34 4.77 -1.26 -2.50 117.00 126.06 1q9i n LEU 230 Ca -0.08 -4.17 0.12 0.00 -0.03 0.00 0.00 56.01 51.85 1q9i n LEU 230 Cb 0.47 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1q9i n LEU 230 CO 0.46 1.71 0.22 0.71 -1.33 0.00 0.00 177.39 179.16 1q9i h THR 231 N 2.67 0.00 -3.37 -5.08 1.35 -1.84 -3.37 112.91 103.27 1q9i h THR 231 Ca 0.18 -0.83 -0.56 0.00 -0.55 0.00 0.00 66.41 64.66 1q9i h THR 231 Cb 1.40 1.41 -0.05 0.00 -1.73 0.00 0.00 68.15 69.18 1q9i h THR 231 CO 0.47 0.00 0.10 -0.62 -0.25 0.00 0.00 175.52 175.22 1q9i s ASP 232 N -5.07 7.05 -0.25 5.36 2.15 -0.14 -4.91 116.67 120.86 1q9i s ASP 232 Ca 0.03 1.26 0.01 0.00 0.43 0.00 0.00 52.55 54.27 1q9i s ASP 232 Cb 0.10 -2.42 0.07 0.00 -0.30 0.00 0.00 42.92 40.37 1q9i s ASP 232 CO 0.75 -0.06 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.97 1q9i s VAL 233 N 0.49 1.52 0.44 1.11 1.01 -1.26 -0.60 120.40 123.11 1q9i s VAL 233 Ca 0.37 -1.34 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1q9i s VAL 233 Cb -0.18 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1q9i s VAL 233 CO 0.19 -0.21 0.37 -0.83 0.00 0.00 0.00 175.10 174.63 1q9i s GLY 234 N 1.37 2.18 -0.03 4.51 0.00 0.32 -4.79 107.32 110.89 1q9i s GLY 234 Ca -0.03 -1.83 -0.13 0.00 0.00 0.00 0.00 44.72 42.73 1q9i s GLY 234 CO -0.08 -1.76 0.34 -0.29 0.00 0.00 0.00 173.10 171.31 1q9i s MET 235 N -4.14 3.81 0.39 2.90 -2.45 -1.26 -1.10 119.30 117.44 1q9i s MET 235 Ca 0.46 0.28 0.05 0.00 -1.25 0.00 0.00 55.69 55.23 1q9i s MET 235 Cb -0.02 -3.22 -0.06 0.00 1.25 0.00 0.00 34.83 32.78 1q9i s MET 235 CO 0.27 0.71 0.04 -1.64 1.05 0.00 0.00 175.02 175.44 1q9i s MET 236 N -1.04 1.87 0.44 4.11 -1.94 -1.26 -4.18 119.30 117.30 1q9i s MET 236 Ca 0.22 -2.08 -0.25 0.00 -1.71 0.00 0.00 55.69 51.87 1q9i s MET 236 Cb -0.16 -1.24 -0.08 0.00 2.01 0.00 0.00 34.83 35.36 1q9i s MET 236 CO 0.11 -0.18 1.29 0.20 -0.01 0.00 0.00 175.02 176.43 1q9i s GLY 237 N -3.64 2.89 -1.05 -0.03 0.00 -1.26 -3.41 107.32 100.82 1q9i s GLY 237 Ca 0.31 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1q9i s GLY 237 CO 0.15 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.62 1q9i n GLY 238 N 0.63 0.68 3.42 0.20 0.00 -0.30 -4.30 105.19 105.52 1q9i n GLY 238 Ca 0.06 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1q9i n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9i s ALA 239 N -2.46 2.51 0.24 4.61 0.00 -1.22 -4.83 121.76 120.62 1q9i s ALA 239 Ca 0.00 -1.01 0.13 0.00 0.00 0.00 0.00 51.96 51.07 1q9i s ALA 239 Cb 0.00 -0.86 0.44 0.00 0.00 0.00 0.00 23.12 22.70 1q9i s ALA 239 CO 0.00 0.53 1.64 0.77 0.00 0.00 0.00 175.76 178.70 1q9i h SER 240 N 5.46 0.00 -5.36 0.00 0.02 -1.91 -3.46 113.55 108.29 1q9i h SER 240 Ca -0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 1q9i h SER 240 Cb 1.15 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.56 1q9i h SER 240 CO 0.49 0.55 -0.43 0.68 -1.14 0.00 0.00 176.83 176.99 1q9i s VAL 241 N -3.60 0.05 -0.05 2.27 -7.23 -1.26 -5.11 120.40 105.47 1q9i s VAL 241 Ca -0.01 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1q9i s VAL 241 Cb 0.12 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 1q9i s VAL 241 CO 0.74 -0.23 1.78 0.20 -0.31 0.00 0.00 175.10 177.28 1q9i s ASN 242 N -3.03 6.51 0.00 4.85 -0.87 -1.26 -4.81 114.94 116.33 1q9i s ASN 242 Ca 0.24 2.31 0.00 0.00 -1.57 0.00 0.00 52.86 53.84 1q9i s ASN 242 Cb 0.04 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 1q9i s ASN 242 CO 0.04 -1.04 0.38 -2.11 -2.57 0.00 0.00 177.10 171.80 1q9i n ARG 243 N 7.39 0.00 -2.92 -0.60 1.85 -0.93 -4.83 116.66 116.62 1q9i n ARG 243 Ca 0.19 -0.38 -0.43 0.00 -1.00 0.00 0.00 57.85 56.23 1q9i n ARG 243 Cb 0.43 -0.38 -0.05 0.00 -1.05 0.00 0.00 32.46 31.41 1q9i n ARG 243 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q9i s ALA 244 N 0.00 3.21 0.10 2.89 0.00 -0.26 -2.22 121.76 125.47 1q9i s ALA 244 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 51.96 50.28 1q9i s ALA 244 Cb 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1q9i s ALA 244 CO 0.00 -2.36 0.65 -1.01 0.00 0.00 0.00 175.76 173.03 1q9i s HIS 245 N 3.65 3.83 0.25 0.00 3.76 0.06 -0.52 115.29 126.33 1q9i s HIS 245 Ca 0.25 1.40 -0.22 0.00 -0.15 0.00 0.00 55.06 56.34 1q9i s HIS 245 Cb -0.15 -2.60 0.03 0.00 1.11 0.00 0.00 32.58 30.97 1q9i s HIS 245 CO 0.16 0.54 0.78 -0.98 -0.85 0.00 0.00 174.74 174.40 1q9i s ARG 246 N -1.04 1.65 0.77 1.40 1.70 0.23 -0.46 118.95 123.19 1q9i s ARG 246 Ca 0.32 -0.91 -0.14 0.00 -0.47 0.00 0.00 55.73 54.52 1q9i s ARG 246 Cb -0.21 0.56 0.06 0.00 -0.57 0.00 0.00 34.95 34.79 1q9i s ARG 246 CO 0.21 -0.75 1.20 -2.14 -1.08 0.00 0.00 175.30 172.74 1q9i s PRO 247 N -3.73 1.89 -0.14 3.89 0.02 -1.04 -0.97 135.00 134.92 1q9i s PRO 247 Ca 0.11 1.73 -0.36 0.00 0.02 0.00 0.00 61.00 62.51 1q9i s PRO 247 Cb -0.05 -1.81 -0.17 0.00 0.02 0.00 0.00 34.50 32.49 1q9i s PRO 247 CO 0.06 -2.02 1.07 2.41 -0.33 0.00 0.00 177.00 178.18 1q9i n THR 248 N -3.04 0.00 -0.47 0.99 -1.04 -1.26 -1.43 114.28 108.02 1q9i n THR 248 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1q9i n THR 248 Cb 0.50 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1q9i n THR 248 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q9i n GLY 249 N 1.99 1.22 1.40 3.41 0.00 -1.26 -3.82 105.19 108.13 1q9i n GLY 249 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1q9i n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9i n GLY 250 N -2.00 0.84 3.75 -0.02 0.00 -0.51 -0.50 105.19 106.75 1q9i n GLY 250 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1q9i n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9i s GLY 252 N -3.83 1.33 0.12 0.00 0.00 -1.26 -4.08 107.32 99.60 1q9i s GLY 252 Ca 0.64 1.51 0.03 0.00 0.00 0.00 0.00 44.72 46.90 1q9i s GLY 252 CO 0.55 2.82 1.28 -0.24 0.00 0.00 0.00 173.10 177.51 1q9i h VAL 253 N 3.94 1.61 0.11 1.40 3.04 -1.36 -3.35 116.25 121.65 1q9i h VAL 253 Ca -0.43 -3.14 -0.01 0.00 -1.01 0.00 0.00 66.70 62.12 1q9i h VAL 253 Cb 1.20 2.78 0.00 0.00 -2.01 0.00 0.00 31.29 33.26 1q9i h VAL 253 CO 0.94 0.90 -0.05 1.23 -1.01 0.00 0.00 177.57 179.59 1q9i h GLY 254 N 2.39 -0.15 0.69 3.17 0.00 -1.00 -0.14 103.07 108.02 1q9i h GLY 254 Ca -0.05 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.42 1q9i h GLY 254 CO 0.15 -0.06 0.65 0.00 0.00 0.00 0.00 176.54 177.28 1q9i h ALA 255 N -0.06 1.43 0.19 3.60 0.00 -1.61 -0.43 119.26 122.38 1q9i h ALA 255 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1q9i h ALA 255 Cb 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1q9i h ALA 255 CO 0.02 0.40 -0.09 1.25 0.00 0.00 0.00 179.25 180.83 1q9i h HIS 256 N 1.14 -0.24 -0.65 0.00 6.17 -1.66 -0.13 115.15 119.79 1q9i h HIS 256 Ca 0.45 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.53 1q9i h HIS 256 Cb 0.23 0.08 -0.03 0.00 2.52 0.00 0.00 27.41 30.21 1q9i h HIS 256 CO -0.00 -0.01 0.42 0.28 0.71 0.00 0.00 177.93 179.34 1q9i h VAL 257 N -0.45 1.15 -0.58 5.26 2.07 -0.82 -0.78 116.25 122.10 1q9i h VAL 257 Ca -0.03 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1q9i h VAL 257 Cb 0.34 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1q9i h VAL 257 CO 0.04 0.16 0.02 0.58 0.02 0.00 0.00 177.57 178.39 1q9i h VAL 258 N 0.86 1.26 -0.45 2.57 2.07 -0.99 -0.52 116.25 121.04 1q9i h VAL 258 Ca 0.24 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1q9i h VAL 258 Cb -0.08 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1q9i h VAL 258 CO -0.06 0.40 0.26 -0.61 0.02 0.00 0.00 177.57 177.58 1q9i h GLN 259 N 0.92 0.62 -0.47 1.57 5.75 -0.62 0.52 115.11 123.40 1q9i h GLN 259 Ca 0.17 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1q9i h GLN 259 Cb 0.51 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1q9i h GLN 259 CO 0.02 0.47 0.31 0.28 -2.65 0.00 0.00 178.83 177.27 1q9i h VAL 260 N 0.60 1.11 -0.42 2.39 2.07 -0.85 0.59 116.25 121.75 1q9i h VAL 260 Ca 0.16 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1q9i h VAL 260 Cb 0.02 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1q9i h VAL 260 CO -0.03 0.12 0.21 -0.07 0.02 0.00 0.00 177.57 177.81 1q9i h LEU 261 N 0.63 0.55 -0.20 2.57 3.38 -0.81 -0.96 115.31 120.48 1q9i h LEU 261 Ca 0.18 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1q9i h LEU 261 Cb -0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1q9i h LEU 261 CO -0.04 0.52 0.06 0.22 0.09 0.00 0.00 178.44 179.29 1q9i h TYR 262 N 0.54 0.11 -0.89 1.13 3.20 -0.66 0.45 116.97 120.85 1q9i h TYR 262 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1q9i h TYR 262 Cb 0.12 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1q9i h TYR 262 CO -0.01 0.06 0.56 -0.44 -1.64 0.00 0.00 178.16 176.69 1q9i h ASP 263 N 0.16 1.05 0.51 -2.11 3.32 -0.67 0.31 116.42 118.99 1q9i h ASP 263 Ca 0.08 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1q9i h ASP 263 Cb 0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1q9i h ASP 263 CO -0.09 0.79 -0.56 0.78 -1.72 0.00 0.00 179.24 178.44 1q9i h ASN 264 N 1.22 0.05 -0.21 6.45 2.35 -0.68 -0.68 115.58 124.08 1q9i h ASN 264 Ca 0.32 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.92 1q9i h ASN 264 Cb -0.09 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1q9i h ASN 264 CO -0.06 0.60 -0.38 0.00 -1.65 0.00 0.00 177.43 175.93 1q9i h ALA 265 N 1.41 0.33 -0.62 -0.83 0.00 -0.14 -2.76 119.26 116.64 1q9i h ALA 265 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1q9i h ALA 265 Cb 0.99 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1q9i h ALA 265 CO 0.07 0.41 0.28 0.28 0.00 0.00 0.00 179.25 180.30 1q9i h VAL 266 N 0.31 1.22 -0.92 0.00 2.07 -0.74 -2.02 116.25 116.17 1q9i h VAL 266 Ca 0.01 -0.63 0.13 0.00 0.82 0.00 0.00 66.70 67.03 1q9i h VAL 266 Cb 0.97 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1q9i h VAL 266 CO 0.09 0.26 0.59 0.50 0.02 0.00 0.00 177.57 179.02 1q9i h LYS 267 N 0.85 0.76 -0.21 1.57 3.64 -1.10 -0.93 116.57 121.15 1q9i h LYS 267 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1q9i h LYS 267 Cb 0.14 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1q9i h LYS 267 CO -0.02 0.50 0.00 0.54 -2.27 0.00 0.00 179.45 178.20 1q9i n ARG 268 N -4.58 1.70 -3.70 1.90 1.74 -0.92 -4.93 116.66 107.88 1q9i n ARG 268 Ca 0.18 -1.07 -0.28 0.00 -0.77 0.00 0.00 57.85 55.91 1q9i n ARG 268 Cb 0.43 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 1q9i n ARG 268 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1q9i n ASN 269 N 0.31 -4.78 -4.72 0.55 4.13 -0.35 -4.92 115.26 105.48 1q9i n ASN 269 Ca 0.15 -0.64 -0.42 0.00 1.68 0.00 0.00 54.58 55.35 1q9i n ASN 269 Cb 0.30 -3.85 -0.03 0.00 -1.54 0.00 0.00 39.78 34.67 1q9i n ASN 269 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1q9i s ILE 270 N -3.21 3.43 -0.59 2.41 1.01 -0.81 -4.93 121.20 118.52 1q9i s ILE 270 Ca 0.57 1.03 -0.27 0.00 0.00 0.00 0.00 60.65 61.99 1q9i s ILE 270 Cb -0.29 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1q9i s ILE 270 CO 0.71 0.08 1.85 -0.62 0.00 0.00 0.00 174.94 176.96 1q9i s ASP 271 N 1.07 5.32 -0.18 3.58 -1.08 -1.26 -4.85 116.67 119.28 1q9i s ASP 271 Ca 0.63 0.41 -0.04 0.00 -0.52 0.00 0.00 52.55 53.03 1q9i s ASP 271 Cb -0.35 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.55 1q9i s ASP 271 CO 0.30 -2.32 -0.02 -0.22 0.52 0.00 0.00 175.17 173.43 1q9i s LEU 272 N 8.89 3.26 -0.22 -1.34 2.96 -1.26 -0.53 118.68 130.45 1q9i s LEU 272 Ca 0.68 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1q9i s LEU 272 Cb -0.13 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.79 1q9i s LEU 272 CO 0.22 0.12 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.10 1q9i s ARG 273 N 0.68 2.40 0.72 1.98 0.52 -0.16 -4.98 118.95 120.11 1q9i s ARG 273 Ca -0.01 -1.08 -0.09 0.00 -0.52 0.00 0.00 55.73 54.04 1q9i s ARG 273 Cb -0.14 -2.68 0.06 0.00 0.52 0.00 0.00 34.95 32.70 1q9i s ARG 273 CO 0.02 -0.43 1.06 -1.64 0.02 0.00 0.00 175.30 174.33 1q9i s MET 274 N 1.23 2.26 -1.54 3.54 -1.94 -1.26 -1.19 119.30 120.39 1q9i s MET 274 Ca -0.03 -0.06 -0.15 0.00 -1.71 0.00 0.00 55.69 53.74 1q9i s MET 274 Cb -0.17 -2.10 0.11 0.00 2.01 0.00 0.00 34.83 34.68 1q9i s MET 274 CO -0.08 -1.27 0.78 0.09 -0.01 0.00 0.00 175.02 174.53 1q9i n ASN 275 N -3.01 -4.01 -3.79 3.03 3.02 -0.28 -3.85 115.26 106.36 1q9i n ASN 275 Ca 0.08 -0.76 -0.29 0.00 -0.03 0.00 0.00 54.58 53.57 1q9i n ASN 275 Cb 0.60 -3.25 -0.16 0.00 -0.61 0.00 0.00 39.78 36.36 1q9i n ASN 275 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1q9i s THR 276 N -3.19 0.86 -0.19 3.41 2.01 0.07 -0.91 115.64 117.70 1q9i s THR 276 Ca 0.63 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 1q9i s THR 276 Cb -0.33 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1q9i s THR 276 CO 0.78 -0.26 0.09 -0.60 -0.69 0.00 0.00 174.62 173.94 1q9i s ARG 277 N 1.69 4.05 0.04 4.92 3.52 -0.39 -2.57 118.95 130.20 1q9i s ARG 277 Ca -0.01 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 1q9i s ARG 277 Cb -0.18 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1q9i s ARG 277 CO -0.10 0.26 1.26 0.20 -0.81 0.00 0.00 175.30 176.11 1q9i s GLY 278 N 0.43 2.20 -0.11 8.12 0.00 -1.26 -0.28 107.32 116.41 1q9i s GLY 278 Ca 0.05 0.85 -0.02 0.00 0.00 0.00 0.00 44.72 45.60 1q9i s GLY 278 CO -0.00 2.19 -0.12 1.39 0.00 0.00 0.00 173.10 176.56 1q9i n ILE 279 N 4.18 0.62 -3.66 0.90 2.08 -0.19 -4.93 119.36 118.36 1q9i n ILE 279 Ca 0.10 -0.20 -0.08 0.00 0.56 0.00 0.00 62.75 63.13 1q9i n ILE 279 Cb 0.45 -1.24 -0.09 0.00 -0.75 0.00 0.00 39.64 38.01 1q9i n ILE 279 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1q9i s GLU 280 N -2.21 0.36 0.10 0.38 2.12 -0.98 -4.76 118.70 113.70 1q9i s GLU 280 Ca -0.15 1.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.92 1q9i s GLU 280 Cb 0.05 0.33 -0.06 0.00 0.26 0.00 0.00 34.13 34.71 1q9i s GLU 280 CO 0.23 -0.23 1.12 0.08 -0.54 0.00 0.00 175.26 175.92 1q9i s VAL 281 N 2.48 4.10 -0.14 3.70 1.01 -1.26 -0.65 120.40 129.63 1q9i s VAL 281 Ca -0.03 1.62 -0.09 0.00 0.00 0.00 0.00 61.98 63.48 1q9i s VAL 281 Cb -0.11 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1q9i s VAL 281 CO -0.13 0.19 0.17 -0.76 0.00 0.00 0.00 175.10 174.57 1q9i s LEU 282 N 0.46 4.32 0.13 3.92 1.43 -0.36 -4.85 118.68 123.72 1q9i s LEU 282 Ca 0.54 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 1q9i s LEU 282 Cb -0.28 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1q9i s LEU 282 CO 0.31 0.29 -0.20 -0.54 0.23 0.00 0.00 176.35 176.44 1q9i s LYS 283 N -0.40 1.19 0.26 1.70 1.02 -1.26 -0.60 119.74 121.64 1q9i s LYS 283 Ca 0.13 -1.26 -0.03 0.00 0.02 0.00 0.00 55.97 54.84 1q9i s LYS 283 Cb -0.12 -1.39 0.06 0.00 -0.52 0.00 0.00 37.83 35.85 1q9i s LYS 283 CO 0.03 0.31 0.35 -0.40 -0.92 0.00 0.00 175.35 174.72 1q9i n ASP 284 N 0.80 0.20 0.07 2.83 5.68 0.22 -4.81 116.55 121.54 1q9i n ASP 284 Ca -0.17 -1.23 0.09 0.00 -0.50 0.00 0.00 54.79 52.97 1q9i n ASP 284 Cb 0.55 -0.25 0.38 0.00 -1.14 0.00 0.00 41.12 40.66 1q9i n ASP 284 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1q9i n ASP 285 N -3.13 0.33 -1.06 -1.12 5.75 -1.26 -1.36 116.55 114.70 1q9i n ASP 285 Ca 0.05 0.59 0.09 0.00 -0.01 0.00 0.00 54.79 55.51 1q9i n ASP 285 Cb 0.17 -0.66 0.25 0.00 -1.03 0.00 0.00 41.12 39.86 1q9i n ASP 285 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1q9i n LYS 286 N -1.87 2.82 -1.12 0.11 5.02 -1.26 -4.98 118.16 116.88 1q9i n LYS 286 Ca 0.02 -2.42 -0.04 0.00 -2.02 0.00 0.00 58.31 53.85 1q9i n LYS 286 Cb 0.17 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1q9i n LYS 286 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q9i n GLY 287 N 1.15 0.69 3.92 0.72 0.00 -0.46 -5.03 105.19 106.18 1q9i n GLY 287 Ca 0.19 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1q9i n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q9i s THR 288 N -2.09 5.27 0.32 2.61 -4.23 -1.26 -4.35 115.64 111.91 1q9i s THR 288 Ca 0.00 -0.38 -0.29 0.00 -1.18 0.00 0.00 61.69 59.83 1q9i s THR 288 Cb 0.00 -3.70 -0.11 0.00 1.34 0.00 0.00 72.50 70.03 1q9i s THR 288 CO 0.00 -0.05 1.56 -0.69 -0.54 0.00 0.00 174.62 174.90 1q9i s VAL 289 N -1.73 2.04 0.00 2.29 1.01 -0.36 -0.61 120.40 123.05 1q9i s VAL 289 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1q9i s VAL 289 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1q9i s VAL 289 CO 0.28 0.01 0.00 2.29 0.00 0.00 0.00 175.10 177.68 1q9i n LYS 290 N 1.57 5.61 -3.19 2.72 2.85 0.23 -4.68 118.16 123.26 1q9i n LYS 290 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1q9i n LYS 290 Cb 0.38 -0.40 0.00 0.00 -0.65 0.00 0.00 35.03 34.35 1q9i n LYS 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1q9i n GLY 291 N 0.81 -0.51 3.30 2.58 0.00 -1.14 -1.51 105.19 108.72 1q9i n GLY 291 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1q9i n GLY 291 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q9i s ILE 292 N -3.17 -0.01 -0.08 -0.61 2.07 0.05 -1.22 121.20 118.23 1q9i s ILE 292 Ca 0.00 0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.01 1q9i s ILE 292 Cb 0.00 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1q9i s ILE 292 CO 0.00 0.01 0.75 -0.22 -1.91 0.00 0.00 174.94 173.57 1q9i s LEU 293 N 0.45 4.29 0.31 8.50 2.96 0.18 -1.19 118.68 134.18 1q9i s LEU 293 Ca -0.02 1.23 0.08 0.00 -0.22 0.00 0.00 54.13 55.20 1q9i s LEU 293 Cb -0.04 -3.16 -0.06 0.00 0.50 0.00 0.00 46.19 43.43 1q9i s LEU 293 CO -0.02 -0.19 -0.07 0.68 -1.32 0.00 0.00 176.35 175.43 1q9i s VAL 294 N 1.09 1.88 -0.21 1.68 -7.23 0.02 -1.02 120.40 116.60 1q9i s VAL 294 Ca 0.39 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1q9i s VAL 294 Cb -0.18 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.27 1q9i s VAL 294 CO 0.18 -0.25 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.91 1q9i s LYS 295 N -3.68 1.63 0.02 4.82 2.20 0.61 -1.91 119.74 123.42 1q9i s LYS 295 Ca 0.31 -0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 54.81 1q9i s LYS 295 Cb 0.03 -2.43 -0.05 0.00 -1.51 0.00 0.00 37.83 33.88 1q9i s LYS 295 CO 0.14 -0.54 0.80 0.20 -0.36 0.00 0.00 175.35 175.59 1q9i s GLY 296 N 1.46 2.78 0.41 5.54 0.00 0.33 -1.26 107.32 116.59 1q9i s GLY 296 Ca -0.04 0.31 0.10 0.00 0.00 0.00 0.00 44.72 45.09 1q9i s GLY 296 CO -0.07 1.24 2.00 1.98 0.00 0.00 0.00 173.10 178.25 1q9i h MET 297 N 6.10 0.51 0.00 2.90 4.05 -1.33 -0.73 114.93 126.44 1q9i h MET 297 Ca -0.43 -0.03 -0.23 0.00 -0.28 0.00 0.00 59.70 58.73 1q9i h MET 297 Cb 1.21 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.85 1q9i h MET 297 CO 0.73 0.34 -1.86 0.66 0.23 0.00 0.00 176.91 177.01 1q9i n TYR 298 N -4.47 0.00 0.65 1.39 4.01 -1.26 -4.64 117.16 112.83 1q9i n TYR 298 Ca 0.08 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.89 1q9i n TYR 298 Cb 0.24 -0.61 -0.02 0.00 -0.31 0.00 0.00 39.34 38.64 1q9i n TYR 298 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1q9i n LYS 299 N -2.51 1.93 0.00 -0.72 4.76 -1.22 -5.02 118.16 115.38 1q9i n LYS 299 Ca -0.21 -0.57 0.00 0.00 -2.87 0.00 0.00 58.31 54.66 1q9i n LYS 299 Cb 0.90 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 1q9i n LYS 299 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q9i n GLY 300 N 1.15 -1.82 3.76 0.72 0.00 -0.28 -4.89 105.19 103.83 1q9i n GLY 300 Ca 0.05 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 1q9i n GLY 300 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q9i s TYR 301 N 0.00 3.57 0.24 1.61 2.02 -1.26 -0.51 117.35 123.02 1q9i s TYR 301 Ca 0.00 1.71 -0.20 0.00 -0.37 0.00 0.00 57.07 58.22 1q9i s TYR 301 Cb 0.00 -3.23 0.03 0.00 -0.40 0.00 0.00 41.96 38.36 1q9i s TYR 301 CO 0.00 -0.46 0.63 1.52 -1.57 0.00 0.00 175.55 175.66 1q9i s TYR 302 N -1.24 -0.17 0.17 2.71 -0.85 -0.80 -4.84 117.35 112.33 1q9i s TYR 302 Ca 0.46 -0.22 0.10 0.00 -0.52 0.00 0.00 57.07 56.89 1q9i s TYR 302 Cb -0.30 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 1q9i s TYR 302 CO 0.38 -1.07 -0.21 1.67 -1.52 0.00 0.00 175.55 174.80 1q9i s TRP 303 N -3.89 2.00 -0.12 -3.49 1.48 -1.26 -0.80 118.94 112.86 1q9i s TRP 303 Ca 0.10 -0.42 0.01 0.00 -1.06 0.00 0.00 56.10 54.73 1q9i s TRP 303 Cb -0.03 -1.00 -0.01 0.00 -1.16 0.00 0.00 33.47 31.26 1q9i s TRP 303 CO 0.02 0.39 -0.14 0.08 -4.06 0.00 0.00 176.95 173.23 1q9i s VAL 304 N -1.82 2.93 -0.11 -0.66 1.01 -0.33 -0.24 120.40 121.18 1q9i s VAL 304 Ca 0.17 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 1q9i s VAL 304 Cb -0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1q9i s VAL 304 CO 0.08 0.53 0.59 -0.75 0.00 0.00 0.00 175.10 175.55 1q9i s LYS 305 N 0.28 4.36 -0.01 2.72 2.20 -0.39 -0.77 119.74 128.12 1q9i s LYS 305 Ca -0.11 0.64 -0.28 0.00 -0.36 0.00 0.00 55.97 55.86 1q9i s LYS 305 Cb -0.16 -3.46 0.07 0.00 -1.51 0.00 0.00 37.83 32.76 1q9i s LYS 305 CO 0.06 0.05 0.64 0.00 -0.36 0.00 0.00 175.35 175.74 1q9i s ALA 306 N 0.91 -1.66 0.23 3.13 0.00 -0.57 -1.30 121.76 122.50 1q9i s ALA 306 Ca 0.31 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1q9i s ALA 306 Cb -0.16 0.14 0.24 0.00 0.00 0.00 0.00 23.12 23.34 1q9i s ALA 306 CO 0.13 -0.42 1.58 -0.44 0.00 0.00 0.00 175.76 176.61 1q9i h ASP 307 N 2.91 0.47 -4.40 0.00 3.32 -1.57 -3.16 116.42 113.98 1q9i h ASP 307 Ca -0.28 -0.23 -0.28 0.00 0.02 0.00 0.00 57.03 56.25 1q9i h ASP 307 Cb 1.17 -0.13 -0.24 0.00 0.22 0.00 0.00 39.33 40.34 1q9i h ASP 307 CO 0.39 0.88 -0.74 0.00 -1.72 0.00 0.00 179.24 178.05 1q9i s ALA 308 N -4.04 0.46 -0.09 3.45 0.00 -0.94 -4.55 121.76 116.06 1q9i s ALA 308 Ca -0.06 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1q9i s ALA 308 Cb 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1q9i s ALA 308 CO 0.81 0.02 -0.19 0.08 0.00 0.00 0.00 175.76 176.49 1q9i s VAL 309 N -0.84 1.64 -0.31 0.00 1.01 -0.01 -1.61 120.40 120.28 1q9i s VAL 309 Ca -0.05 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1q9i s VAL 309 Cb -0.06 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1q9i s VAL 309 CO 0.00 0.47 0.08 -0.63 0.00 0.00 0.00 175.10 175.01 1q9i s ILE 310 N 0.52 3.78 -0.32 2.22 1.01 0.23 -1.44 121.20 127.20 1q9i s ILE 310 Ca -0.16 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.33 1q9i s ILE 310 Cb -0.17 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.28 1q9i s ILE 310 CO 0.06 -0.02 0.86 -0.76 0.00 0.00 0.00 174.94 175.09 1q9i s LEU 311 N 1.44 4.05 -0.40 2.97 1.43 0.40 -0.75 118.68 127.82 1q9i s LEU 311 Ca 0.01 0.73 0.11 0.00 -1.03 0.00 0.00 54.13 53.95 1q9i s LEU 311 Cb -0.18 -3.19 0.41 0.00 0.03 0.00 0.00 46.19 43.25 1q9i s LEU 311 CO 0.02 -0.70 0.94 0.00 0.23 0.00 0.00 176.35 176.84 1q9i n ALA 312 N 6.40 3.67 1.01 4.21 0.00 0.72 -1.60 120.51 134.92 1q9i n ALA 312 Ca 0.06 -3.72 0.12 0.00 0.00 0.00 0.00 53.44 49.90 1q9i n ALA 312 Cb 0.48 -0.81 0.24 0.00 0.00 0.00 0.00 19.45 19.36 1q9i n ALA 312 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q9i n THR 313 N -0.11 0.11 -4.12 0.00 -2.24 -1.21 -4.33 114.28 102.38 1q9i n THR 313 Ca 0.23 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1q9i n THR 313 Cb 0.68 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1q9i n THR 313 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q9i n GLY 314 N 1.32 -1.90 0.12 3.38 0.00 -1.26 -4.83 105.19 102.02 1q9i n GLY 314 Ca 0.16 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 1q9i n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9i n GLY 315 N 0.00 0.81 0.18 -0.02 0.00 -1.26 -2.92 105.19 101.98 1q9i n GLY 315 Ca 0.00 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.14 1q9i n GLY 315 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1q9i n PHE 316 N -1.41 0.00 0.28 1.61 -1.74 -1.26 -3.34 117.46 111.61 1q9i n PHE 316 Ca 0.01 -1.01 0.15 0.00 -0.56 0.00 0.00 57.45 56.03 1q9i n PHE 316 Cb 0.02 -0.16 0.71 0.00 1.52 0.00 0.00 39.48 41.57 1q9i n PHE 316 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1q9i h ALA 317 N 0.15 1.00 0.00 1.98 0.00 -1.86 -0.92 119.26 119.61 1q9i h ALA 317 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1q9i h ALA 317 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1q9i h ALA 317 CO 0.00 0.00 -0.20 -0.22 0.00 0.00 0.00 179.25 178.83 1q9i h LYS 318 N 0.00 0.00 -4.98 0.00 1.63 -1.63 -3.42 116.57 108.17 1q9i h LYS 318 Ca 0.00 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 59.10 1q9i h LYS 318 Cb 0.18 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 31.64 1q9i h LYS 318 CO 0.00 0.20 0.86 1.21 -3.45 0.00 0.00 179.45 178.27 1q9i s ASN 319 N -6.18 6.67 0.43 4.20 3.84 -0.35 -4.85 114.94 118.69 1q9i s ASN 319 Ca 0.03 -2.13 0.21 0.00 0.21 0.00 0.00 52.86 51.18 1q9i s ASN 319 Cb 0.08 -2.40 0.97 0.00 -0.55 0.00 0.00 41.25 39.35 1q9i s ASN 319 CO 0.66 -1.03 1.87 -1.13 -2.79 0.00 0.00 177.10 174.68 1q9i h ASN 320 N 8.68 0.00 -0.33 -4.21 -0.73 -1.83 -1.05 115.58 116.10 1q9i h ASN 320 Ca 0.17 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.30 1q9i h ASN 320 Cb 1.01 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.59 1q9i h ASN 320 CO 1.11 0.27 0.07 -0.33 -0.37 0.00 0.00 177.43 178.18 1q9i h GLU 321 N 0.00 0.54 -0.39 6.67 4.39 -1.96 0.83 114.58 124.66 1q9i h GLU 321 Ca -0.00 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.41 1q9i h GLU 321 Cb 0.65 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1q9i h GLU 321 CO 0.04 0.61 -0.36 -0.09 -1.16 0.00 0.00 179.01 178.05 1q9i h ARG 322 N 0.38 0.92 -0.25 2.33 2.43 -1.84 -2.76 114.38 115.59 1q9i h ARG 322 Ca 0.10 -0.48 0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1q9i h ARG 322 Cb 0.32 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1q9i h ARG 322 CO 0.00 1.13 0.11 0.28 -1.51 0.00 0.00 179.97 179.98 1q9i h VAL 323 N 0.74 0.97 0.00 0.20 2.07 -1.10 -3.01 116.25 116.12 1q9i h VAL 323 Ca 0.07 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1q9i h VAL 323 Cb 0.95 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1q9i h VAL 323 CO 0.09 0.04 -0.32 0.00 0.02 0.00 0.00 177.57 177.40 1q9i h ALA 324 N 1.14 1.44 0.00 1.67 0.00 -0.75 0.22 119.26 122.99 1q9i h ALA 324 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1q9i h ALA 324 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1q9i h ALA 324 CO -0.09 0.40 -0.31 0.87 0.00 0.00 0.00 179.25 180.13 1q9i h LYS 325 N 0.00 0.00 0.07 0.00 1.57 -1.37 -2.68 116.57 114.16 1q9i h LYS 325 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1q9i h LYS 325 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1q9i h LYS 325 CO 0.04 0.31 -1.92 1.28 -0.57 0.00 0.00 179.45 178.59 1q9i n LEU 326 N -3.97 1.93 -3.49 2.94 4.77 -0.41 -4.73 117.00 114.04 1q9i n LEU 326 Ca -0.02 0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 1q9i n LEU 326 Cb 0.37 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 1q9i n LEU 326 CO 0.37 0.68 -0.32 -0.62 -1.33 0.00 0.00 177.39 176.16 1q9i s ASP 327 N -6.63 3.16 0.65 -1.43 -1.08 0.65 -4.79 116.67 107.20 1q9i s ASP 327 Ca -0.16 -1.91 0.40 0.00 -0.52 0.00 0.00 52.55 50.36 1q9i s ASP 327 Cb 0.07 -0.39 2.22 0.00 -1.46 0.00 0.00 42.92 43.36 1q9i s ASP 327 CO 0.79 -0.35 2.31 -0.65 0.52 0.00 0.00 175.17 177.79 1q9i h PRO 328 N 7.45 0.00 0.00 4.34 0.11 -1.71 -1.93 132.00 140.27 1q9i h PRO 328 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1q9i h PRO 328 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1q9i h PRO 328 CO 0.32 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.98 1q9i n SER 329 N -3.28 0.47 -1.02 -2.05 3.41 -1.26 -2.03 113.62 107.86 1q9i n SER 329 Ca -0.03 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 1q9i n SER 329 Cb 0.10 -0.74 0.21 0.00 -0.26 0.00 0.00 64.21 63.53 1q9i n SER 329 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1q9i n LEU 330 N -2.06 3.33 -4.72 1.04 4.77 -0.72 -4.98 117.00 113.67 1q9i n LEU 330 Ca 0.01 -1.73 -0.42 0.00 -0.03 0.00 0.00 56.01 53.85 1q9i n LEU 330 Cb 0.14 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1q9i n LEU 330 CO 0.14 0.78 1.27 -0.75 -1.33 0.00 0.00 177.39 177.49 1q9i s LYS 331 N -1.17 4.19 0.00 3.23 2.20 -0.86 -2.37 119.74 124.97 1q9i s LYS 331 Ca 0.35 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 1q9i s LYS 331 Cb 0.20 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1q9i s LYS 331 CO 0.26 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1q9i n GLY 332 N 3.80 0.91 3.77 5.54 0.00 -1.26 -5.03 105.19 112.92 1q9i n GLY 332 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1q9i n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q9i s PHE 333 N -3.63 2.66 0.58 1.61 0.40 -1.00 -5.05 117.98 113.56 1q9i s PHE 333 Ca 0.00 1.55 -0.15 0.00 -0.60 0.00 0.00 56.93 57.73 1q9i s PHE 333 Cb 0.00 -3.22 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 1q9i s PHE 333 CO 0.00 -1.61 1.03 0.42 0.70 0.00 0.00 175.22 175.77 1q9i s ILE 334 N -2.09 4.18 0.13 0.64 1.01 -1.26 -4.81 121.20 119.01 1q9i s ILE 334 Ca 0.69 0.95 0.06 0.00 0.00 0.00 0.00 60.65 62.35 1q9i s ILE 334 Cb -0.22 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1q9i s ILE 334 CO 0.35 -0.69 0.03 -0.55 0.00 0.00 0.00 174.94 174.08 1q9i s SER 335 N -3.18 5.05 0.00 3.58 0.15 -1.26 -0.20 113.70 117.84 1q9i s SER 335 Ca 0.60 -0.24 0.29 0.00 0.70 0.00 0.00 55.95 57.30 1q9i s SER 335 Cb -0.13 -1.19 1.24 0.00 -1.71 0.00 0.00 66.02 64.23 1q9i s SER 335 CO 0.40 0.12 1.85 0.35 1.20 0.00 0.00 173.24 177.16 1q9i n THR 336 N 0.14 0.00 -2.99 6.45 -2.24 -0.39 -4.88 114.28 110.37 1q9i n THR 336 Ca -0.10 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 1q9i n THR 336 Cb 0.54 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1q9i n THR 336 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1q9i s ASN 337 N -2.18 6.08 0.67 3.42 0.02 -1.26 -4.81 114.94 116.88 1q9i s ASN 337 Ca 0.36 0.53 -0.17 0.00 -1.02 0.00 0.00 52.86 52.57 1q9i s ASN 337 Cb 0.21 -1.90 0.00 0.00 0.02 0.00 0.00 41.25 39.58 1q9i s ASN 337 CO 0.40 -0.55 1.21 0.00 0.02 0.00 0.00 177.10 178.17 1q9i s GLN 338 N -4.55 2.54 0.59 -0.60 1.03 -1.26 -4.93 119.66 112.48 1q9i s GLN 338 Ca 0.45 1.79 0.36 0.00 0.04 0.00 0.00 55.36 58.00 1q9i s GLN 338 Cb -0.10 -1.88 1.83 0.00 0.03 0.00 0.00 33.01 32.90 1q9i s GLN 338 CO 0.39 -1.54 2.18 -1.00 -2.54 0.00 0.00 175.29 172.78 1q9i h PRO 339 N 0.25 0.00 -0.30 9.60 0.13 -1.98 -2.65 132.00 137.05 1q9i h PRO 339 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1q9i h PRO 339 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1q9i h PRO 339 CO 0.52 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1q9i n GLY 340 N -0.67 0.94 2.76 1.56 0.00 -1.26 -4.72 105.19 103.81 1q9i n GLY 340 Ca -0.02 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1q9i n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9i n ALA 341 N 0.82 5.56 0.06 4.61 0.00 -1.00 -4.54 120.51 126.02 1q9i n ALA 341 Ca 0.17 -4.03 0.01 0.00 0.00 0.00 0.00 53.44 49.59 1q9i n ALA 341 Cb 0.43 -3.32 0.01 0.00 0.00 0.00 0.00 19.45 16.57 1q9i n ALA 341 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1q9i n VAL 342 N 4.36 0.13 -0.51 0.00 0.24 -1.23 -1.70 118.33 119.63 1q9i n VAL 342 Ca 0.48 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1q9i n VAL 342 Cb 0.37 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1q9i n VAL 342 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q9i n GLY 343 N 0.04 0.73 0.24 7.63 0.00 -1.21 -4.75 105.19 107.87 1q9i n GLY 343 Ca 0.01 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1q9i n GLY 343 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1q9i h ASP 344 N 0.00 0.00 -0.50 1.61 2.03 -1.89 -1.91 116.42 115.76 1q9i h ASP 344 Ca 0.00 -0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 1q9i h ASP 344 Cb 0.00 -0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1q9i h ASP 344 CO 0.00 0.12 0.20 1.23 -1.03 0.00 0.00 179.24 179.75 1q9i h GLY 345 N 0.34 0.86 1.11 7.15 0.00 -1.91 -1.41 103.07 109.21 1q9i h GLY 345 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1q9i h GLY 345 CO 0.01 0.42 0.33 1.41 0.00 0.00 0.00 176.54 178.72 1q9i h LEU 346 N 0.79 1.05 -0.70 3.11 3.38 -1.68 -0.66 115.31 120.59 1q9i h LEU 346 Ca 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1q9i h LEU 346 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1q9i h LEU 346 CO -0.01 0.91 0.36 0.44 0.09 0.00 0.00 178.44 180.23 1q9i h ASP 347 N 1.12 0.90 -0.22 -0.43 3.32 -1.19 0.16 116.42 120.08 1q9i h ASP 347 Ca 0.26 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1q9i h ASP 347 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1q9i h ASP 347 CO -0.03 0.75 0.13 0.58 -1.72 0.00 0.00 179.24 178.95 1q9i h VAL 348 N 0.97 1.02 -0.34 -1.35 2.07 -0.94 -0.83 116.25 116.86 1q9i h VAL 348 Ca 0.24 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1q9i h VAL 348 Cb 0.07 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1q9i h VAL 348 CO -0.04 0.05 0.09 0.00 0.02 0.00 0.00 177.57 177.69 1q9i h ALA 349 N 1.10 0.37 -0.61 1.67 0.00 -0.72 -2.18 119.26 118.89 1q9i h ALA 349 Ca 0.09 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1q9i h ALA 349 Cb -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1q9i h ALA 349 CO -0.04 -0.31 0.07 0.93 0.00 0.00 0.00 179.25 179.89 1q9i h GLU 350 N 0.22 1.02 0.00 0.00 5.08 -0.46 -0.69 114.58 119.75 1q9i h GLU 350 Ca 0.16 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1q9i h GLU 350 Cb 0.16 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1q9i h GLU 350 CO -0.19 0.96 -0.14 -0.91 -1.00 0.00 0.00 179.01 177.73 1q9i h ASN 351 N 0.95 0.00 0.15 1.42 2.35 -0.90 -0.44 115.58 119.11 1q9i h ASN 351 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1q9i h ASN 351 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1q9i h ASN 351 CO 0.02 0.14 -0.07 0.00 -1.65 0.00 0.00 177.43 175.86 1q9i n ALA 352 N -2.31 2.73 0.00 -0.83 0.00 -0.84 -4.91 120.51 114.35 1q9i n ALA 352 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1q9i n ALA 352 Cb 0.25 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1q9i n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q9i n GLY 353 N 1.20 0.55 3.76 0.00 0.00 -0.17 -5.08 105.19 105.45 1q9i n GLY 353 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1q9i n GLY 353 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q9i s GLY 354 N -1.26 2.69 0.29 -0.02 0.00 -0.32 -4.19 107.32 104.51 1q9i s GLY 354 Ca 0.00 1.28 -0.16 0.00 0.00 0.00 0.00 44.72 45.84 1q9i s GLY 354 CO 0.00 2.07 0.72 0.00 0.00 0.00 0.00 173.10 175.89 1q9i s ALA 355 N -0.59 3.36 0.18 3.20 0.00 -0.36 -4.11 121.76 123.45 1q9i s ALA 355 Ca 0.54 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1q9i s ALA 355 Cb -0.40 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1q9i s ALA 355 CO 0.48 0.35 0.20 -0.51 0.00 0.00 0.00 175.76 176.28 1q9i s LEU 356 N -2.73 3.99 0.06 0.00 1.43 -1.26 -0.90 118.68 119.27 1q9i s LEU 356 Ca 0.51 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 1q9i s LEU 356 Cb -0.12 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1q9i s LEU 356 CO 0.18 0.04 0.20 -1.59 0.23 0.00 0.00 176.35 175.41 1q9i s LYS 357 N -3.30 0.76 -2.03 1.70 -2.85 -0.39 -4.84 119.74 108.80 1q9i s LYS 357 Ca 0.32 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 1q9i s LYS 357 Cb -0.10 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1q9i s LYS 357 CO 0.25 -0.23 0.00 -0.25 0.10 0.00 0.00 175.35 175.22 1q9i n ASP 358 N 0.37 -5.38 0.25 0.03 9.92 -1.26 -1.52 116.55 118.96 1q9i n ASP 358 Ca -0.17 0.43 0.10 0.00 -0.53 0.00 0.00 54.79 54.62 1q9i n ASP 358 Cb 0.60 -4.58 0.67 0.00 -0.64 0.00 0.00 41.12 37.18 1q9i n ASP 358 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1q9i h MET 359 N 0.00 0.00 0.00 -1.24 2.86 -1.91 -1.94 114.93 112.70 1q9i h MET 359 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1q9i h MET 359 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1q9i h MET 359 CO 0.58 0.13 0.00 0.00 1.06 0.00 0.00 176.91 178.68 1q9i n GLN 360 N -3.90 0.09 -3.20 1.72 0.00 -1.26 -4.61 117.38 106.22 1q9i n GLN 360 Ca -0.02 0.29 -0.44 0.00 0.00 0.00 0.00 57.00 56.83 1q9i n GLN 360 Cb 0.22 -1.65 -0.06 0.00 0.00 0.00 0.00 30.24 28.74 1q9i n GLN 360 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1q9i s TYR 361 N -3.12 3.09 -0.07 2.61 2.02 -0.75 -4.68 117.35 116.45 1q9i s TYR 361 Ca 0.07 -0.62 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1q9i s TYR 361 Cb 0.11 -3.48 0.01 0.00 -0.40 0.00 0.00 41.96 38.20 1q9i s TYR 361 CO 0.36 -0.99 -0.15 0.42 -1.57 0.00 0.00 175.55 173.62 1q9i s ILE 362 N 2.44 1.35 -0.16 2.71 1.01 -1.26 -1.93 121.20 125.36 1q9i s ILE 362 Ca 0.13 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 1q9i s ILE 362 Cb -0.20 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 1q9i s ILE 362 CO 0.11 0.40 0.30 -1.58 0.00 0.00 0.00 174.94 174.17 1q9i s GLN 363 N 0.47 4.26 -0.10 2.79 0.74 0.27 -4.99 119.66 123.11 1q9i s GLN 363 Ca -0.13 0.11 -0.19 0.00 0.05 0.00 0.00 55.36 55.20 1q9i s GLN 363 Cb -0.15 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 1q9i s GLN 363 CO 0.04 0.22 0.52 0.00 -0.55 0.00 0.00 175.29 175.52 1q9i s ALA 364 N 0.53 3.46 0.09 1.58 0.00 -1.26 -1.17 121.76 124.98 1q9i s ALA 364 Ca 0.17 -0.11 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 1q9i s ALA 364 Cb -0.13 -2.70 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 1q9i s ALA 364 CO 0.04 0.01 1.28 -1.58 0.00 0.00 0.00 175.76 175.51 1q9i s HIS 365 N 0.54 3.36 0.37 0.00 2.46 0.41 -4.75 115.29 117.68 1q9i s HIS 365 Ca 0.28 1.16 0.30 0.00 0.47 0.00 0.00 55.06 57.27 1q9i s HIS 365 Cb -0.16 -3.53 1.50 0.00 -0.13 0.00 0.00 32.58 30.26 1q9i s HIS 365 CO 0.12 -1.74 2.07 -1.35 -2.47 0.00 0.00 174.74 171.37 1q9i h PRO 366 N 6.73 0.00 -2.55 2.88 0.11 -1.86 -1.54 132.00 135.77 1q9i h PRO 366 Ca -0.42 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.09 1q9i h PRO 366 Cb 1.21 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 1q9i h PRO 366 CO 0.83 0.10 -0.77 0.25 -0.21 0.00 0.00 178.00 178.20 1q9i n THR 367 N -3.48 0.62 -2.85 -1.15 -2.24 -1.26 -2.63 114.28 101.30 1q9i n THR 367 Ca -0.01 -4.40 -0.40 0.00 -2.27 0.00 0.00 64.05 56.97 1q9i n THR 367 Cb 0.25 -1.98 -0.06 0.00 -2.10 0.00 0.00 70.33 66.43 1q9i n THR 367 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1q9i s LEU 368 N -1.19 4.62 0.03 3.22 2.96 0.02 -0.78 118.68 127.56 1q9i s LEU 368 Ca 0.32 1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 55.74 1q9i s LEU 368 Cb 0.05 -3.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.19 1q9i s LEU 368 CO -0.14 0.17 1.72 -0.55 -1.32 0.00 0.00 176.35 176.23 1q9i s SER 369 N -1.12 6.59 0.14 3.68 0.15 -0.17 -1.16 113.70 121.80 1q9i s SER 369 Ca 0.39 2.46 -0.16 0.00 0.70 0.00 0.00 55.95 59.34 1q9i s SER 369 Cb -0.25 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1q9i s SER 369 CO 0.29 -0.93 1.72 0.58 1.20 0.00 0.00 173.24 176.10 1q9i h VAL 370 N 5.17 1.17 -0.26 4.45 2.07 -1.50 0.10 116.25 127.46 1q9i h VAL 370 Ca -0.43 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1q9i h VAL 370 Cb 1.20 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1q9i h VAL 370 CO 0.94 0.18 -0.03 0.50 0.02 0.00 0.00 177.57 179.18 1q9i h LYS 371 N 0.52 0.47 0.00 1.57 3.64 -1.91 -3.33 116.57 117.53 1q9i h LYS 371 Ca 0.14 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1q9i h LYS 371 Cb 0.11 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1q9i h LYS 371 CO -0.02 0.66 -1.14 0.41 -2.27 0.00 0.00 179.45 177.09 1q9i n GLY 372 N -0.24 -1.22 2.42 5.01 0.00 -1.22 -4.98 105.19 104.95 1q9i n GLY 372 Ca -0.03 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 1q9i n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9i n GLY 373 N 1.33 0.55 3.32 -0.02 0.00 0.35 -4.84 105.19 105.88 1q9i n GLY 373 Ca 0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1q9i n GLY 373 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q9i s VAL 374 N -2.80 1.78 0.27 1.61 -7.23 -1.25 -4.88 120.40 107.90 1q9i s VAL 374 Ca 0.00 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 1q9i s VAL 374 Cb 0.00 -1.82 -0.13 0.00 0.56 0.00 0.00 36.38 35.00 1q9i s VAL 374 CO 0.00 -0.32 1.47 0.80 -0.31 0.00 0.00 175.10 176.74 1q9i n MET 375 N 0.33 2.31 -3.80 4.82 0.00 -1.26 -1.00 117.12 118.52 1q9i n MET 375 Ca -0.13 0.82 -0.36 0.00 -0.00 0.00 0.00 57.70 58.03 1q9i n MET 375 Cb 0.57 -2.52 -0.13 0.00 0.00 0.00 0.00 33.22 31.14 1q9i n MET 375 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1q9i s VAL 376 N -0.18 4.09 0.40 1.12 1.01 0.04 -4.79 120.40 122.08 1q9i s VAL 376 Ca 0.65 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1q9i s VAL 376 Cb -0.58 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 1q9i s VAL 376 CO 0.51 0.36 1.29 1.07 0.00 0.00 0.00 175.10 178.33 1q9i n THR 377 N 4.88 2.36 0.32 3.92 5.66 -1.26 -4.71 114.28 125.44 1q9i n THR 377 Ca -0.17 -0.50 0.19 0.00 -3.05 0.00 0.00 64.05 60.52 1q9i n THR 377 Cb 0.51 -1.60 1.06 0.00 -1.55 0.00 0.00 70.33 68.75 1q9i n THR 377 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1q9i h GLU 378 N 2.28 0.00 0.00 1.09 4.81 -1.97 -1.10 114.58 119.69 1q9i h GLU 378 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1q9i h GLU 378 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1q9i h GLU 378 CO 0.61 0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 178.86 1q9i h ALA 379 N 2.00 1.31 -0.56 2.92 0.00 -1.89 -0.01 119.26 123.03 1q9i h ALA 379 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1q9i h ALA 379 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1q9i h ALA 379 CO 0.00 0.04 0.36 0.28 0.00 0.00 0.00 179.25 179.93 1q9i h VAL 380 N 0.00 1.15 -0.17 0.00 2.07 -1.55 0.13 116.25 117.88 1q9i h VAL 380 Ca -0.00 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 1q9i h VAL 380 Cb 0.12 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1q9i h VAL 380 CO 0.00 0.15 -0.38 0.03 0.02 0.00 0.00 177.57 177.40 1q9i h ARG 381 N 0.75 0.56 -0.95 1.57 3.08 -1.50 -1.72 114.38 116.18 1q9i h ARG 381 Ca 0.20 -0.37 0.10 0.00 0.07 0.00 0.00 59.98 59.98 1q9i h ARG 381 Cb -0.07 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1q9i h ARG 381 CO -0.04 0.98 0.61 0.78 -1.07 0.00 0.00 179.97 181.23 1q9i h GLY 382 N 0.21 1.43 0.43 0.04 0.00 -0.79 -0.35 103.07 104.05 1q9i h GLY 382 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1q9i h GLY 382 CO 0.08 0.23 0.00 0.70 0.00 0.00 0.00 176.54 177.55 1q9i n ASN 383 N -4.54 0.49 0.00 0.19 4.13 0.44 -4.64 115.26 111.33 1q9i n ASN 383 Ca 0.16 -1.25 0.00 0.00 1.68 0.00 0.00 54.58 55.18 1q9i n ASN 383 Cb 0.29 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1q9i n ASN 383 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1q9i n GLY 384 N 1.02 0.95 3.74 7.41 0.00 -0.14 -4.66 105.19 113.51 1q9i n GLY 384 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1q9i n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9i s ALA 385 N -0.85 2.45 0.45 4.61 0.00 -0.66 -4.83 121.76 122.93 1q9i s ALA 385 Ca 0.00 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1q9i s ALA 385 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1q9i s ALA 385 CO 0.00 -1.42 0.47 0.96 0.00 0.00 0.00 175.76 175.77 1q9i s ILE 386 N -1.47 2.54 -0.09 0.00 -4.36 -0.79 -4.58 121.20 112.45 1q9i s ILE 386 Ca 0.80 -1.25 0.02 0.00 -0.26 0.00 0.00 60.65 59.96 1q9i s ILE 386 Cb -0.35 -2.80 -0.02 0.00 1.25 0.00 0.00 42.46 40.55 1q9i s ILE 386 CO 0.37 0.00 -0.13 -0.76 0.24 0.00 0.00 174.94 174.66 1q9i s LEU 387 N -4.25 2.75 0.12 0.37 1.43 -1.26 -0.91 118.68 116.91 1q9i s LEU 387 Ca 0.49 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 1q9i s LEU 387 Cb -0.05 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1q9i s LEU 387 CO 0.29 0.26 -0.16 0.68 0.23 0.00 0.00 176.35 177.65 1q9i s VAL 388 N -0.19 1.47 0.47 -1.59 -7.23 -0.18 -4.12 120.40 109.03 1q9i s VAL 388 Ca 0.00 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1q9i s VAL 388 Cb -0.13 -1.51 0.09 0.00 0.56 0.00 0.00 36.38 35.39 1q9i s VAL 388 CO 0.03 -0.28 0.65 -0.46 -0.31 0.00 0.00 175.10 174.73 1q9i n ASN 389 N 0.75 0.93 0.26 4.85 0.23 -0.50 -0.31 115.26 121.47 1q9i n ASN 389 Ca -0.17 -1.77 0.13 0.00 -0.53 0.00 0.00 54.58 52.24 1q9i n ASN 389 Cb 0.56 -0.42 0.69 0.00 -2.08 0.00 0.00 39.78 38.53 1q9i n ASN 389 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1q9i h ARG 390 N 0.00 0.00 0.00 -3.83 3.08 -1.85 0.45 114.38 112.23 1q9i h ARG 390 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1q9i h ARG 390 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1q9i h ARG 390 CO 0.24 0.13 0.00 0.39 -1.07 0.00 0.00 179.97 179.65 1q9i n GLU 391 N -3.49 0.47 -1.32 0.04 4.71 -1.26 -1.84 120.64 117.95 1q9i n GLU 391 Ca -0.01 0.05 -0.02 0.00 -0.01 0.00 0.00 57.16 57.16 1q9i n GLU 391 Cb 0.28 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.20 1q9i n GLU 391 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1q9i n GLY 392 N 0.54 0.49 3.51 0.62 0.00 0.15 -4.56 105.19 105.93 1q9i n GLY 392 Ca 0.13 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1q9i n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q9i s LYS 393 N -2.70 1.87 0.67 1.61 -0.14 -1.26 -3.35 119.74 116.44 1q9i s LYS 393 Ca 0.00 -1.15 -0.15 0.00 -1.36 0.00 0.00 55.97 53.31 1q9i s LYS 393 Cb 0.00 -2.16 0.01 0.00 -1.68 0.00 0.00 37.83 34.00 1q9i s LYS 393 CO 0.00 0.48 1.15 1.03 -0.76 0.00 0.00 175.35 177.26 1q9i s ARG 394 N -2.19 2.61 0.00 1.68 0.52 -1.26 -1.41 118.95 118.90 1q9i s ARG 394 Ca 0.19 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 1q9i s ARG 394 Cb -0.11 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1q9i s ARG 394 CO 0.11 -1.43 0.00 1.97 0.02 0.00 0.00 175.30 175.97 1q9i n PHE 395 N -2.40 0.00 -3.66 -0.53 1.16 -1.26 -4.92 117.46 105.85 1q9i n PHE 395 Ca 0.12 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.55 1q9i n PHE 395 Cb 0.51 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.31 1q9i n PHE 395 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1q9i s VAL 396 N 0.00 0.04 -0.25 1.97 0.11 -1.26 -5.06 120.40 115.96 1q9i s VAL 396 Ca 0.00 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.41 1q9i s VAL 396 Cb 0.00 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1q9i s VAL 396 CO 0.00 -0.19 1.77 0.21 -3.33 0.00 0.00 175.10 173.56 1q9i s ASN 397 N -1.57 6.09 0.00 3.54 2.47 -1.26 -4.85 114.94 119.36 1q9i s ASN 397 Ca -0.10 1.57 0.20 0.00 0.42 0.00 0.00 52.86 54.96 1q9i s ASN 397 Cb -0.02 -2.53 0.90 0.00 -1.45 0.00 0.00 41.25 38.15 1q9i s ASN 397 CO 0.03 -1.50 1.64 -0.62 -3.72 0.00 0.00 177.10 172.93 1q9i n GLU 398 N 8.09 0.08 -0.48 0.43 4.71 -1.26 -2.16 120.64 130.04 1q9i n GLU 398 Ca 0.22 0.14 0.05 0.00 -0.01 0.00 0.00 57.16 57.56 1q9i n GLU 398 Cb 0.46 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.58 1q9i n GLU 398 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1q9i n ILE 399 N -1.44 2.20 -1.45 -3.67 -5.35 -1.26 -4.86 119.36 103.52 1q9i n ILE 399 Ca 0.06 -2.78 -0.19 0.00 -0.27 0.00 0.00 62.75 59.57 1q9i n ILE 399 Cb 0.21 -0.26 0.14 0.00 -1.74 0.00 0.00 39.64 37.99 1q9i n ILE 399 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1q9i n THR 400 N -1.16 0.00 -1.51 7.28 5.66 -0.92 -1.14 114.28 122.48 1q9i n THR 400 Ca 0.21 -0.57 -0.31 0.00 -3.05 0.00 0.00 64.05 60.34 1q9i n THR 400 Cb 0.76 -1.59 0.07 0.00 -1.55 0.00 0.00 70.33 68.02 1q9i n THR 400 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1q9i s THR 401 N -2.75 3.57 0.28 1.09 -4.23 -1.26 -3.89 115.64 108.46 1q9i s THR 401 Ca 0.48 0.51 0.09 0.00 -1.18 0.00 0.00 61.69 61.59 1q9i s THR 401 Cb -0.02 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 1q9i s THR 401 CO 0.34 -0.67 1.64 0.03 -0.54 0.00 0.00 174.62 175.42 1q9i h ARG 402 N -0.93 0.07 -0.14 3.99 3.08 -1.92 -0.41 114.38 118.13 1q9i h ARG 402 Ca -0.45 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.57 1q9i h ARG 402 Cb 1.23 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1q9i h ARG 402 CO 0.57 0.62 0.01 0.38 -1.07 0.00 0.00 179.97 180.48 1q9i h ASP 403 N 0.05 -0.02 -0.23 7.04 3.04 -1.93 -0.90 116.42 123.47 1q9i h ASP 403 Ca -0.00 0.03 -0.13 0.00 -3.24 0.00 0.00 57.03 53.69 1q9i h ASP 403 Cb 1.01 0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 39.34 1q9i h ASP 403 CO 0.08 0.01 -0.35 0.11 -2.04 0.00 0.00 179.24 177.05 1q9i h LYS 404 N 0.07 0.65 -0.76 4.15 1.57 -1.84 -2.28 116.57 118.11 1q9i h LYS 404 Ca 0.06 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1q9i h LYS 404 Cb 0.07 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1q9i h LYS 404 CO -0.10 1.00 0.35 0.00 -0.57 0.00 0.00 179.45 180.13 1q9i h ALA 405 N 0.64 0.99 -0.32 3.86 0.00 -1.08 -1.31 119.26 122.03 1q9i h ALA 405 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1q9i h ALA 405 Cb 0.93 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1q9i h ALA 405 CO 0.08 0.57 0.08 0.77 0.00 0.00 0.00 179.25 180.75 1q9i h SER 406 N 1.09 0.49 -0.90 0.00 0.02 -1.12 -1.71 113.55 111.42 1q9i h SER 406 Ca 0.26 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1q9i h SER 406 Cb 0.15 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1q9i h SER 406 CO -0.03 0.60 0.59 0.00 -1.14 0.00 0.00 176.83 176.85 1q9i h ALA 407 N 0.92 1.14 -0.38 3.77 0.00 -1.26 -1.64 119.26 121.80 1q9i h ALA 407 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1q9i h ALA 407 Cb 0.30 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1q9i h ALA 407 CO 0.00 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.87 1q9i h ALA 408 N 1.33 0.50 -0.69 0.00 0.00 -0.96 -1.85 119.26 117.60 1q9i h ALA 408 Ca 0.33 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1q9i h ALA 408 Cb -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1q9i h ALA 408 CO -0.07 0.19 0.20 0.82 0.00 0.00 0.00 179.25 180.39 1q9i h ILE 409 N 0.47 1.26 0.00 0.00 2.04 -1.11 -2.33 117.51 117.83 1q9i h ILE 409 Ca 0.12 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1q9i h ILE 409 Cb 0.33 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1q9i h ILE 409 CO 0.00 0.35 -0.16 -0.07 0.00 0.00 0.00 178.15 178.27 1q9i h LEU 410 N 1.01 0.00 -0.23 1.44 3.38 -1.08 -1.87 115.31 117.96 1q9i h LEU 410 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1q9i h LEU 410 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1q9i h LEU 410 CO -0.00 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1q9i n ALA 411 N -2.25 2.08 -1.92 1.53 0.00 -0.72 -4.38 120.51 114.86 1q9i n ALA 411 Ca -0.01 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1q9i n ALA 411 Cb 0.31 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.34 1q9i n ALA 411 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1q9i s GLN 412 N -3.17 3.29 -0.00 0.00 -1.52 -0.70 -4.93 119.66 112.63 1q9i s GLN 412 Ca 0.09 0.56 -0.34 0.00 -1.95 0.00 0.00 55.36 53.71 1q9i s GLN 412 Cb 0.11 -2.09 -0.13 0.00 -0.22 0.00 0.00 33.01 30.69 1q9i s GLN 412 CO 0.53 -0.72 1.76 2.41 -0.25 0.00 0.00 175.29 179.03 1q9i n THR 413 N -2.80 0.37 -0.85 -0.19 -1.04 -1.26 -0.49 114.28 108.02 1q9i n THR 413 Ca 0.06 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1q9i n THR 413 Cb 0.55 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1q9i n THR 413 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q9i n GLY 414 N 4.02 1.04 2.85 3.41 0.00 -1.26 -4.06 105.19 111.20 1q9i n GLY 414 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1q9i n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q9i n LYS 415 N -2.00 -3.84 -3.95 1.61 5.02 0.36 -4.97 118.16 110.38 1q9i n LYS 415 Ca 0.00 0.90 -0.09 0.00 -2.02 0.00 0.00 58.31 57.09 1q9i n LYS 415 Cb 0.00 -5.69 -0.06 0.00 -0.02 0.00 0.00 35.03 29.26 1q9i n LYS 415 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1q9i s SER 416 N -2.50 -0.06 0.23 4.39 1.04 -1.24 -4.60 113.70 110.95 1q9i s SER 416 Ca 0.22 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.81 1q9i s SER 416 Cb -0.10 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1q9i s SER 416 CO 0.27 -1.02 0.27 0.00 0.98 0.00 0.00 173.24 173.74 1q9i n ALA 417 N -0.31 0.07 -3.38 5.32 0.00 -0.36 -4.65 120.51 117.21 1q9i n ALA 417 Ca -0.05 -1.17 -0.25 0.00 0.00 0.00 0.00 53.44 51.97 1q9i n ALA 417 Cb 0.63 0.95 -0.16 0.00 0.00 0.00 0.00 19.45 20.86 1q9i n ALA 417 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1q9i s TYR 418 N -3.30 1.51 0.13 0.00 1.51 0.57 -0.38 117.35 117.39 1q9i s TYR 418 Ca 0.22 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 1q9i s TYR 418 Cb 0.00 -1.09 -0.07 0.00 -0.11 0.00 0.00 41.96 40.69 1q9i s TYR 418 CO 0.16 -0.26 1.25 -0.51 -1.11 0.00 0.00 175.55 175.08 1q9i s LEU 419 N 0.57 4.40 -0.09 -1.29 1.43 0.04 -1.01 118.68 122.75 1q9i s LEU 419 Ca -0.13 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.21 1q9i s LEU 419 Cb -0.15 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1q9i s LEU 419 CO 0.04 -0.48 -0.20 -0.63 0.23 0.00 0.00 176.35 175.31 1q9i s ILE 420 N 0.55 1.71 0.32 -0.59 -1.09 -0.09 -1.02 121.20 120.99 1q9i s ILE 420 Ca 0.58 -0.82 -0.15 0.00 -2.23 0.00 0.00 60.65 58.02 1q9i s ILE 420 Cb -0.33 -1.50 0.03 0.00 -1.58 0.00 0.00 42.46 39.08 1q9i s ILE 420 CO 0.33 0.48 0.68 0.72 -1.23 0.00 0.00 174.94 175.92 1q9i s PHE 421 N 0.44 0.16 0.00 3.97 -0.71 -0.96 -1.89 117.98 119.00 1q9i s PHE 421 Ca -0.17 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.06 1q9i s PHE 421 Cb -0.17 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 1q9i s PHE 421 CO 0.07 -1.31 0.00 -0.40 -1.34 0.00 0.00 175.22 172.24 1q9i n ASP 422 N -0.90 1.99 0.17 1.98 5.75 -1.26 -0.31 116.55 123.97 1q9i n ASP 422 Ca -0.05 -0.88 0.05 0.00 -0.01 0.00 0.00 54.79 53.90 1q9i n ASP 422 Cb 0.60 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.95 1q9i n ASP 422 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1q9i h ASP 423 N 0.00 0.00 -0.42 -1.12 3.32 -0.76 -1.85 116.42 115.58 1q9i h ASP 423 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1q9i h ASP 423 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1q9i h ASP 423 CO 0.00 0.42 0.20 0.77 -1.72 0.00 0.00 179.24 178.91 1q9i h SER 424 N 0.00 0.55 -0.34 6.45 4.64 -1.90 0.37 113.55 123.31 1q9i h SER 424 Ca -0.00 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1q9i h SER 424 Cb 1.02 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1q9i h SER 424 CO 0.05 0.53 0.18 0.58 -0.87 0.00 0.00 176.83 177.30 1q9i h VAL 425 N 0.54 1.15 -0.21 0.95 2.07 -1.86 -2.38 116.25 116.51 1q9i h VAL 425 Ca 0.14 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1q9i h VAL 425 Cb 0.12 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1q9i h VAL 425 CO -0.02 0.15 -0.08 -0.09 0.02 0.00 0.00 177.57 177.55 1q9i h ARG 426 N 0.43 -0.04 0.00 1.57 2.43 -1.08 -1.95 114.38 115.73 1q9i h ARG 426 Ca 0.12 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1q9i h ARG 426 Cb 0.08 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1q9i h ARG 426 CO -0.02 -0.03 -0.14 0.87 -1.51 0.00 0.00 179.97 179.15 1q9i h LYS 427 N -0.05 0.00 0.00 0.20 1.57 -0.89 -2.81 116.57 114.60 1q9i h LYS 427 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1q9i h LYS 427 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1q9i h LYS 427 CO -0.24 0.14 0.00 0.66 -0.57 0.00 0.00 179.45 179.43 1q9i h SER 428 N 0.00 0.00 -2.88 0.86 4.64 -0.80 -3.42 113.55 111.95 1q9i h SER 428 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1q9i h SER 428 Cb 0.32 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.01 1q9i h SER 428 CO 0.02 0.00 -0.78 -0.22 -0.87 0.00 0.00 176.83 174.98 1q9i s LEU 429 N -5.15 1.10 0.44 5.97 2.96 -1.06 -4.56 118.68 118.37 1q9i s LEU 429 Ca 0.06 -1.56 0.23 0.00 -0.22 0.00 0.00 54.13 52.64 1q9i s LEU 429 Cb 0.09 -0.51 1.21 0.00 0.50 0.00 0.00 46.19 47.49 1q9i s LEU 429 CO 0.53 -0.41 1.79 0.00 -1.32 0.00 0.00 176.35 176.95 1q9i h LYS 431 N 0.29 0.00 -0.25 0.00 1.63 -1.73 -2.83 116.57 113.70 1q9i h LYS 431 Ca 0.56 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.32 1q9i h LYS 431 Cb 1.63 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.24 1q9i h LYS 431 CO -0.21 0.07 -0.03 0.82 -3.45 0.00 0.00 179.45 176.65 1q9i h ILE 432 N 0.00 1.17 0.00 2.00 2.04 -1.26 -1.64 117.51 119.83 1q9i h ILE 432 Ca -0.00 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1q9i h ILE 432 Cb 0.20 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1q9i h ILE 432 CO 0.01 0.23 -0.01 0.44 0.00 0.00 0.00 178.15 178.81 1q9i h ASP 433 N 0.36 0.00 -0.38 1.72 3.32 -1.67 -1.32 116.42 118.44 1q9i h ASP 433 Ca 0.08 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1q9i h ASP 433 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1q9i h ASP 433 CO 0.01 0.01 -0.22 0.11 -1.72 0.00 0.00 179.24 177.44 1q9i h LYS 434 N 0.00 0.88 -0.20 3.56 1.79 -1.46 -1.39 116.57 119.74 1q9i h LYS 434 Ca -0.00 -0.36 -0.12 0.00 -2.18 0.00 0.00 60.65 57.98 1q9i h LYS 434 Cb 0.06 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1q9i h LYS 434 CO 0.00 1.01 -0.40 1.88 -1.08 0.00 0.00 179.45 180.86 1q9i h TYR 435 N 0.76 0.56 -0.34 -1.35 0.05 -1.33 -0.94 116.97 114.37 1q9i h TYR 435 Ca 0.10 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 1q9i h TYR 435 Cb 0.76 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1q9i h TYR 435 CO 0.04 0.80 0.08 0.82 -1.05 0.00 0.00 178.16 178.86 1q9i h ILE 436 N 0.39 1.23 -0.71 -2.88 2.04 -1.34 -2.46 117.51 113.78 1q9i h ILE 436 Ca 0.04 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1q9i h ILE 436 Cb 0.87 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1q9i h ILE 436 CO 0.07 0.26 0.47 1.23 0.00 0.00 0.00 178.15 180.18 1q9i h GLY 437 N 0.40 0.98 2.00 5.37 0.00 -1.01 -1.16 103.07 109.66 1q9i h GLY 437 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1q9i h GLY 437 CO 0.00 0.30 0.00 -2.00 0.00 0.00 0.00 176.54 174.85 1q9i h LEU 438 N 0.87 0.00 0.00 3.11 5.85 -0.80 -3.47 115.31 120.87 1q9i h LEU 438 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1q9i h LEU 438 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1q9i h LEU 438 CO -0.08 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.63 1q9i n GLY 439 N 0.05 0.72 0.92 3.75 0.00 -0.44 -4.97 105.19 105.22 1q9i n GLY 439 Ca 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1q9i n GLY 439 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1q9i n VAL 440 N -2.48 1.44 -3.28 1.61 0.24 -0.96 -4.69 118.33 110.20 1q9i n VAL 440 Ca 0.00 -1.23 -0.25 0.00 -2.04 0.00 0.00 64.34 60.81 1q9i n VAL 440 Cb 0.00 0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 1q9i n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q9i n ALA 441 N 0.49 3.37 -1.58 2.33 0.00 -1.25 -4.48 120.51 119.40 1q9i n ALA 441 Ca 0.17 -4.16 -0.38 0.00 0.00 0.00 0.00 53.44 49.07 1q9i n ALA 441 Cb 0.63 -0.85 0.04 0.00 0.00 0.00 0.00 19.45 19.27 1q9i n ALA 441 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q9i n PRO 442 N 0.94 0.83 -4.04 0.00 -0.04 -1.18 -4.67 135.00 126.84 1q9i n PRO 442 Ca 0.26 0.32 -0.09 0.00 -0.04 0.00 0.00 63.50 63.96 1q9i n PRO 442 Cb 0.47 -2.03 -0.11 0.00 -0.04 0.00 0.00 33.50 31.79 1q9i n PRO 442 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1q9i s THR 443 N -1.55 0.21 0.19 0.52 -1.32 -1.26 -1.81 115.64 110.62 1q9i s THR 443 Ca 0.73 -1.31 -0.20 0.00 -1.21 0.00 0.00 61.69 59.70 1q9i s THR 443 Cb -0.44 -0.82 0.04 0.00 -1.51 0.00 0.00 72.50 69.77 1q9i s THR 443 CO 0.50 -0.70 0.57 0.00 -2.21 0.00 0.00 174.62 172.78 1q9i s ALA 444 N -2.48 -1.23 -1.85 11.08 0.00 -0.73 -4.92 121.76 121.64 1q9i s ALA 444 Ca -0.06 0.05 0.29 0.00 0.00 0.00 0.00 51.96 52.25 1q9i s ALA 444 Cb -0.03 0.85 1.33 0.00 0.00 0.00 0.00 23.12 25.28 1q9i s ALA 444 CO -0.04 -0.81 1.92 -0.40 0.00 0.00 0.00 175.76 176.43 1q9i n ASP 445 N -0.36 0.54 -3.99 0.00 5.68 -1.26 -1.29 116.55 115.87 1q9i n ASP 445 Ca -0.12 -0.80 -0.09 0.00 -0.50 0.00 0.00 54.79 53.28 1q9i n ASP 445 Cb 0.63 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 40.46 1q9i n ASP 445 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1q9i s SER 446 N -2.31 0.29 0.28 -1.12 1.04 -1.26 -4.82 113.70 105.80 1q9i s SER 446 Ca 0.34 -0.67 0.10 0.00 0.48 0.00 0.00 55.95 56.19 1q9i s SER 446 Cb 0.21 0.19 0.40 0.00 0.10 0.00 0.00 66.02 66.92 1q9i s SER 446 CO 0.43 -0.49 1.64 -0.07 0.98 0.00 0.00 173.24 175.73 1q9i h LEU 447 N 3.71 0.05 -0.51 2.42 3.38 -1.91 -1.77 115.31 120.69 1q9i h LEU 447 Ca -0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1q9i h LEU 447 Cb 1.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1q9i h LEU 447 CO 0.53 0.61 0.30 0.58 0.09 0.00 0.00 178.44 180.55 1q9i h VAL 448 N 0.04 1.16 -0.29 1.22 2.07 -1.97 0.14 116.25 118.62 1q9i h VAL 448 Ca -0.00 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1q9i h VAL 448 Cb 1.01 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1q9i h VAL 448 CO 0.08 0.17 -0.05 0.11 0.02 0.00 0.00 177.57 177.89 1q9i h LYS 449 N 0.68 0.54 -0.77 1.57 1.57 -1.89 -1.98 116.57 116.30 1q9i h LYS 449 Ca 0.18 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1q9i h LYS 449 Cb 0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1q9i h LYS 449 CO -0.03 0.73 0.50 1.25 -0.57 0.00 0.00 179.45 181.33 1q9i h LEU 450 N 0.31 0.84 -0.43 2.94 5.85 -1.21 -0.67 115.31 122.94 1q9i h LEU 450 Ca 0.07 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1q9i h LEU 450 Cb 0.52 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1q9i h LEU 450 CO 0.03 0.59 0.24 1.23 -0.34 0.00 0.00 178.44 180.19 1q9i h GLY 451 N 0.99 0.64 1.28 3.75 0.00 -0.61 -0.72 103.07 108.41 1q9i h GLY 451 Ca 0.30 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1q9i h GLY 451 CO -0.09 0.28 0.12 1.70 0.00 0.00 0.00 176.54 178.55 1q9i h LYS 452 N 0.56 0.89 -0.51 4.80 3.64 -1.04 0.10 116.57 125.02 1q9i h LYS 452 Ca 0.15 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1q9i h LYS 452 Cb 0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1q9i h LYS 452 CO -0.02 0.81 0.32 0.52 -2.27 0.00 0.00 179.45 178.80 1q9i h MET 453 N 0.85 0.68 -0.03 1.90 2.86 -0.71 -3.31 114.93 117.17 1q9i h MET 453 Ca 0.18 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1q9i h MET 453 Cb 0.34 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1q9i h MET 453 CO 0.00 0.48 -0.05 0.39 1.06 0.00 0.00 176.91 178.79 1q9i n GLU 454 N -4.70 2.03 -2.58 1.72 -0.58 -0.31 -4.97 120.64 111.25 1q9i n GLU 454 Ca 0.02 -1.74 -0.07 0.00 -0.42 0.00 0.00 57.16 54.96 1q9i n GLU 454 Cb 0.04 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.49 1q9i n GLU 454 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q9i n GLY 455 N 1.28 0.38 3.49 0.62 0.00 -0.11 -5.05 105.19 105.80 1q9i n GLY 455 Ca 0.13 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1q9i n GLY 455 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q9i s ILE 456 N -2.82 3.41 -0.32 -0.61 1.01 0.16 -4.82 121.20 117.21 1q9i s ILE 456 Ca 0.11 -0.57 -0.35 0.00 0.00 0.00 0.00 60.65 59.85 1q9i s ILE 456 Cb -0.05 -2.40 -0.11 0.00 0.01 0.00 0.00 42.46 39.91 1q9i s ILE 456 CO 0.14 0.56 2.17 -0.67 0.00 0.00 0.00 174.94 177.14 1q9i n ASP 457 N 2.73 2.32 -0.12 3.58 -0.08 -0.76 -3.91 116.55 120.31 1q9i n ASP 457 Ca -0.18 0.43 -0.13 0.00 -1.51 0.00 0.00 54.79 53.41 1q9i n ASP 457 Cb 0.53 -1.30 -0.02 0.00 2.34 0.00 0.00 41.12 42.67 1q9i n ASP 457 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1q9i h GLY 458 N 12.39 0.99 0.97 0.27 0.00 -1.85 0.26 103.07 116.10 1q9i h GLY 458 Ca -0.30 -0.99 -0.11 0.00 0.00 0.00 0.00 47.33 45.93 1q9i h GLY 458 CO 1.01 0.89 -0.25 1.70 0.00 0.00 0.00 176.54 179.88 1q9i h LYS 459 N 0.72 0.72 -0.47 4.80 3.64 -1.90 -1.62 116.57 122.46 1q9i h LYS 459 Ca 0.07 -0.36 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 1q9i h LYS 459 Cb 0.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1q9i h LYS 459 CO 0.09 0.97 0.09 0.00 -2.27 0.00 0.00 179.45 178.33 1q9i h ALA 460 N 0.73 0.63 -0.36 5.00 0.00 -1.83 -0.75 119.26 122.67 1q9i h ALA 460 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1q9i h ALA 460 Cb 0.82 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1q9i h ALA 460 CO 0.07 0.34 0.12 1.25 0.00 0.00 0.00 179.25 181.02 1q9i h LEU 461 N 0.65 0.13 -0.42 0.00 5.85 -0.92 0.18 115.31 120.78 1q9i h LEU 461 Ca 0.15 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1q9i h LEU 461 Cb 0.36 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1q9i h LEU 461 CO 0.01 0.11 0.22 0.74 -0.34 0.00 0.00 178.44 179.17 1q9i h THR 462 N 0.27 0.99 -0.09 1.05 2.02 -0.95 -1.56 112.91 114.64 1q9i h THR 462 Ca 0.16 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 67.07 1q9i h THR 462 Cb 0.14 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1q9i h THR 462 CO -0.17 0.08 -0.50 -0.33 0.37 0.00 0.00 175.52 174.97 1q9i h GLU 463 N 0.44 0.24 -0.58 6.66 5.08 -0.83 -2.20 114.58 123.40 1q9i h GLU 463 Ca 0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1q9i h GLU 463 Cb 0.07 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1q9i h GLU 463 CO -0.11 0.69 0.31 1.15 -1.00 0.00 0.00 179.01 180.05 1q9i h THR 464 N 0.20 1.19 -0.19 1.13 2.02 -0.24 -1.18 112.91 115.84 1q9i h THR 464 Ca 0.01 -0.49 -0.19 0.00 0.77 0.00 0.00 66.41 66.50 1q9i h THR 464 Cb 0.95 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1q9i h THR 464 CO 0.08 0.21 -0.65 0.58 0.37 0.00 0.00 175.52 176.11 1q9i h VAL 465 N 0.78 1.30 -0.39 3.16 2.07 -1.14 -0.36 116.25 121.67 1q9i h VAL 465 Ca 0.20 -1.88 0.03 0.00 0.82 0.00 0.00 66.70 65.87 1q9i h VAL 465 Cb 0.06 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1q9i h VAL 465 CO -0.03 0.59 0.19 0.00 0.02 0.00 0.00 177.57 178.34 1q9i h ALA 466 N 0.75 0.48 -0.20 1.67 0.00 -1.23 0.66 119.26 121.40 1q9i h ALA 466 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1q9i h ALA 466 Cb 1.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1q9i h ALA 466 CO 0.13 -0.18 0.07 -0.09 0.00 0.00 0.00 179.25 179.19 1q9i h ARG 467 N 0.38 0.30 -0.42 0.00 2.43 -1.11 -1.51 114.38 114.46 1q9i h ARG 467 Ca 0.17 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1q9i h ARG 467 Cb 0.09 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1q9i h ARG 467 CO -0.13 0.38 0.14 -0.92 -1.51 0.00 0.00 179.97 177.94 1q9i h TYR 468 N 0.16 0.25 -0.56 2.20 3.20 -0.80 -1.50 116.97 119.92 1q9i h TYR 468 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1q9i h TYR 468 Cb 0.20 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1q9i h TYR 468 CO -0.01 0.09 0.29 -0.91 -1.64 0.00 0.00 178.16 175.98 1q9i h ASN 469 N 0.30 0.69 -0.81 -2.11 2.35 -0.67 -0.06 115.58 115.27 1q9i h ASN 469 Ca 0.20 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1q9i h ASN 469 Cb 0.20 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1q9i h ASN 469 CO -0.21 0.57 0.53 -1.28 -1.65 0.00 0.00 177.43 175.39 1q9i h SER 470 N 0.78 0.89 -0.02 5.81 0.87 -0.60 -1.54 113.55 119.73 1q9i h SER 470 Ca 0.20 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 1q9i h SER 470 Cb 0.04 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1q9i h SER 470 CO -0.03 0.63 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.53 1q9i h LEU 471 N 1.05 0.49 -0.45 2.23 3.38 -0.08 -1.25 115.31 120.67 1q9i h LEU 471 Ca 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1q9i h LEU 471 Cb -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1q9i h LEU 471 CO -0.09 0.77 0.19 0.58 0.09 0.00 0.00 178.44 179.98 1q9i h VAL 472 N 0.41 1.20 -0.35 1.22 2.07 -0.73 0.38 116.25 120.45 1q9i h VAL 472 Ca 0.05 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1q9i h VAL 472 Cb 0.74 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1q9i h VAL 472 CO 0.06 0.22 0.12 -1.28 0.02 0.00 0.00 177.57 176.71 1q9i h SER 473 N 0.59 0.50 1.30 0.57 0.87 -0.97 -2.61 113.55 113.79 1q9i h SER 473 Ca 0.15 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1q9i h SER 473 Cb 0.17 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1q9i h SER 473 CO -0.01 0.55 0.00 0.77 -0.53 0.00 0.00 176.83 177.61 1q9i h SER 474 N 0.41 0.00 0.00 6.23 4.64 -1.15 -3.47 113.55 120.21 1q9i h SER 474 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1q9i h SER 474 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1q9i h SER 474 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1q9i n GLY 475 N 0.76 0.57 3.15 -0.77 0.00 0.09 -5.04 105.19 103.94 1q9i n GLY 475 Ca 0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1q9i n GLY 475 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q9i s LYS 476 N -1.01 0.26 -0.82 1.61 0.00 -0.98 -5.01 119.74 113.79 1q9i s LYS 476 Ca 0.00 0.78 -0.20 0.00 0.00 0.00 0.00 55.97 56.55 1q9i s LYS 476 Cb 0.00 0.04 0.11 0.00 0.00 0.00 0.00 37.83 37.98 1q9i s LYS 476 CO 0.00 -0.22 1.05 0.34 0.00 0.00 0.00 175.35 176.52 1q9i s ASP 477 N 1.96 6.46 0.00 0.03 2.15 -1.26 -4.75 116.67 121.25 1q9i s ASP 477 Ca -0.05 -1.69 0.27 0.00 0.43 0.00 0.00 52.55 51.52 1q9i s ASP 477 Cb -0.11 -2.40 1.26 0.00 -0.30 0.00 0.00 42.92 41.37 1q9i s ASP 477 CO -0.11 -1.18 1.90 0.35 -0.17 0.00 0.00 175.17 175.97 1q9i n THR 478 N 5.63 0.13 -0.08 1.71 -2.24 -1.26 -0.90 114.28 117.26 1q9i n THR 478 Ca 0.13 0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.79 1q9i n THR 478 Cb 0.47 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 1q9i n THR 478 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1q9i h ASP 479 N 0.00 0.00 0.00 3.42 3.32 -2.01 -3.43 116.42 117.73 1q9i h ASP 479 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1q9i h ASP 479 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1q9i h ASP 479 CO 0.00 1.15 0.00 0.49 -1.72 0.00 0.00 179.24 179.16 1q9i n PHE 480 N -4.55 0.00 -2.15 4.55 3.72 -1.25 -5.02 117.46 112.76 1q9i n PHE 480 Ca -0.19 -0.14 -0.20 0.00 -0.05 0.00 0.00 57.45 56.87 1q9i n PHE 480 Cb 0.51 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 1q9i n PHE 480 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1q9i n GLU 481 N -0.14 -1.57 -1.67 -1.08 4.71 -0.08 -4.27 120.64 116.54 1q9i n GLU 481 Ca 0.00 1.06 -0.44 0.00 -0.01 0.00 0.00 57.16 57.76 1q9i n GLU 481 Cb 0.16 -5.61 -0.04 0.00 -1.01 0.00 0.00 31.44 24.94 1q9i n GLU 481 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1q9i n ARG 482 N -2.80 2.60 0.00 3.49 0.63 -1.26 -4.88 116.66 114.45 1q9i n ARG 482 Ca -0.23 0.95 0.14 0.00 -0.92 0.00 0.00 57.85 57.79 1q9i n ARG 482 Cb 0.68 -2.85 0.66 0.00 0.45 0.00 0.00 32.46 31.40 1q9i n ARG 482 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1q9i n PRO 483 N 6.72 0.35 -3.67 -0.14 -0.04 -1.26 -4.27 135.00 132.68 1q9i n PRO 483 Ca 0.20 -0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 1q9i n PRO 483 Cb 0.36 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.15 1q9i n PRO 483 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1q9i s ASN 484 N -2.68 0.94 -0.59 3.54 3.84 -1.26 -5.07 114.94 113.65 1q9i s ASN 484 Ca 0.24 0.20 0.04 0.00 0.21 0.00 0.00 52.86 53.55 1q9i s ASN 484 Cb 0.20 0.06 0.17 0.00 -0.55 0.00 0.00 41.25 41.12 1q9i s ASN 484 CO 0.50 -0.25 0.42 -0.76 -2.79 0.00 0.00 177.10 174.22 1q9i s LEU 485 N 2.21 3.49 0.30 3.21 1.43 -1.26 -5.00 118.68 123.06 1q9i s LEU 485 Ca 0.04 -3.51 0.16 0.00 -1.03 0.00 0.00 54.13 49.80 1q9i s LEU 485 Cb -0.12 -1.18 0.10 0.00 0.03 0.00 0.00 46.19 45.03 1q9i s LEU 485 CO -0.04 -0.12 1.45 1.55 0.23 0.00 0.00 176.35 179.41 1q9i h PRO 486 N 5.56 0.00 -2.93 1.29 0.13 -1.89 -3.46 132.00 130.69 1q9i h PRO 486 Ca 0.18 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.16 1q9i h PRO 486 Cb 0.82 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.70 1q9i h PRO 486 CO 0.58 0.41 -0.35 1.03 -0.23 0.00 0.00 178.00 179.44 1q9i s ARG 487 N -3.00 0.36 0.35 0.86 0.52 -1.26 -5.05 118.95 111.72 1q9i s ARG 487 Ca 0.04 0.48 -0.25 0.00 -0.52 0.00 0.00 55.73 55.48 1q9i s ARG 487 Cb 0.07 0.14 -0.10 0.00 0.52 0.00 0.00 34.95 35.59 1q9i s ARG 487 CO 0.73 -0.06 0.96 0.00 0.02 0.00 0.00 175.30 176.95 1q9i s ALA 488 N 0.36 3.17 -1.08 2.13 0.00 -1.26 -4.96 121.76 120.12 1q9i s ALA 488 Ca -0.02 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 1q9i s ALA 488 Cb -0.03 -3.19 0.21 0.00 0.00 0.00 0.00 23.12 20.11 1q9i s ALA 488 CO -0.01 0.11 1.18 -0.51 0.00 0.00 0.00 175.76 176.53 1q9i s LEU 489 N -2.27 5.77 0.00 0.00 1.43 -1.26 -4.62 118.68 117.73 1q9i s LEU 489 Ca 0.53 -3.06 0.00 0.00 -1.03 0.00 0.00 54.13 50.57 1q9i s LEU 489 Cb -0.18 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1q9i s LEU 489 CO 0.23 -0.59 0.27 -0.46 0.23 0.00 0.00 176.35 176.03 1q9i n ASN 490 N 4.42 0.00 -4.42 2.29 2.04 -1.26 -4.89 115.26 113.45 1q9i n ASN 490 Ca 0.27 -1.07 -0.35 0.00 -0.44 0.00 0.00 54.58 52.99 1q9i n ASN 490 Cb 0.43 -0.01 -0.13 0.00 -2.53 0.00 0.00 39.78 37.53 1q9i n ASN 490 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1q9i s GLU 491 N 0.00 3.55 5.16 -3.83 2.12 -1.26 -5.04 118.70 119.39 1q9i s GLU 491 Ca 0.00 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1q9i s GLU 491 Cb 0.00 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.40 1q9i s GLU 491 CO 0.00 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1q9i n GLY 492 N 4.19 1.71 3.95 -1.50 0.00 -1.26 -1.16 105.19 111.12 1q9i n GLY 492 Ca -0.17 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1q9i n GLY 492 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q9i s ASN 493 N -4.00 4.97 0.13 1.61 0.01 -1.26 -4.81 114.94 111.59 1q9i s ASN 493 Ca 0.00 0.27 0.08 0.00 -0.71 0.00 0.00 52.86 52.50 1q9i s ASN 493 Cb 0.00 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 40.62 1q9i s ASN 493 CO 0.00 -1.44 -0.11 -0.31 -1.51 0.00 0.00 177.10 173.73 1q9i s TYR 494 N -3.07 2.67 0.07 2.20 2.02 -0.41 -2.39 117.35 118.44 1q9i s TYR 494 Ca 0.59 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 57.15 1q9i s TYR 494 Cb -0.10 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1q9i s TYR 494 CO 0.42 0.45 -0.15 0.71 -1.57 0.00 0.00 175.55 175.41 1q9i s TYR 495 N -1.36 1.30 -0.02 2.71 1.51 0.58 -1.77 117.35 120.30 1q9i s TYR 495 Ca 0.22 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1q9i s TYR 495 Cb -0.10 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 1q9i s TYR 495 CO 0.14 0.08 -0.16 0.00 -1.11 0.00 0.00 175.55 174.50 1q9i s ALA 496 N -1.22 1.33 -0.16 3.71 0.00 -0.75 -2.26 121.76 122.41 1q9i s ALA 496 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 1q9i s ALA 496 Cb -0.10 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.68 1q9i s ALA 496 CO 0.02 0.29 -0.07 0.42 0.00 0.00 0.00 175.76 176.43 1q9i s ILE 497 N -0.21 1.18 0.02 0.00 1.01 -0.19 -3.11 121.20 119.90 1q9i s ILE 497 Ca 0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1q9i s ILE 497 Cb -0.08 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 1q9i s ILE 497 CO 0.00 0.21 1.47 -0.70 0.00 0.00 0.00 174.94 175.92 1q9i s GLU 498 N 1.61 4.26 0.08 2.79 2.12 -1.26 -0.78 118.70 127.52 1q9i s GLU 498 Ca 0.02 2.07 0.04 0.00 0.36 0.00 0.00 54.97 57.46 1q9i s GLU 498 Cb -0.15 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1q9i s GLU 498 CO -0.08 -0.61 -0.12 0.14 -0.54 0.00 0.00 175.26 174.04 1q9i s VAL 499 N 2.43 0.98 0.04 3.70 -7.23 0.49 -1.20 120.40 119.61 1q9i s VAL 499 Ca 0.66 -1.38 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 1q9i s VAL 499 Cb -0.34 -1.09 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1q9i s VAL 499 CO 0.28 -0.35 0.38 0.28 -0.31 0.00 0.00 175.10 175.38 1q9i s THR 500 N -1.64 0.06 0.49 5.32 -1.32 -0.31 -1.22 115.64 117.02 1q9i s THR 500 Ca -0.01 -0.53 -0.23 0.00 -1.21 0.00 0.00 61.69 59.71 1q9i s THR 500 Cb -0.08 -0.94 -0.07 0.00 -1.51 0.00 0.00 72.50 69.90 1q9i s THR 500 CO 0.01 -0.29 1.31 -2.84 -2.21 0.00 0.00 174.62 170.61 1q9i s PRO 501 N -2.50 3.50 0.07 7.08 0.02 -1.08 -0.80 135.00 141.28 1q9i s PRO 501 Ca -0.05 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.14 1q9i s PRO 501 Cb -0.01 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 1q9i s PRO 501 CO -0.03 -0.88 -0.08 0.20 -0.33 0.00 0.00 177.00 175.89 1q9i s GLY 502 N -0.95 0.65 0.18 0.52 0.00 -0.58 -4.70 107.32 102.45 1q9i s GLY 502 Ca 0.66 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 1q9i s GLY 502 CO 0.46 -1.08 1.25 0.14 0.00 0.00 0.00 173.10 173.87 1q9i s VAL 503 N -2.20 3.46 0.00 1.40 1.01 0.72 -0.44 120.40 124.35 1q9i s VAL 503 Ca -0.01 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1q9i s VAL 503 Cb -0.04 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1q9i s VAL 503 CO -0.01 0.17 0.00 1.57 0.00 0.00 0.00 175.10 176.83 1q9i n HIS 504 N 2.73 0.00 -3.73 5.22 -0.00 -0.32 -1.26 115.22 117.86 1q9i n HIS 504 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 1q9i n HIS 504 Cb 0.44 0.17 -0.10 0.00 -0.00 0.00 0.00 29.99 30.49 1q9i n HIS 504 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1q9i s HIS 505 N -1.64 -0.48 -0.40 1.57 5.04 -1.00 -4.82 115.29 113.56 1q9i s HIS 505 Ca 0.00 1.12 -0.12 0.00 -1.54 0.00 0.00 55.06 54.52 1q9i s HIS 505 Cb 0.00 0.18 0.04 0.00 0.04 0.00 0.00 32.58 32.83 1q9i s HIS 505 CO 0.00 -0.24 0.26 0.95 -2.34 0.00 0.00 174.74 173.36 1q9i s THR 506 N 0.52 4.76 0.12 0.89 -4.23 -1.26 -0.56 115.64 115.88 1q9i s THR 506 Ca -0.02 -0.91 0.24 0.00 -1.18 0.00 0.00 61.69 59.81 1q9i s THR 506 Cb -0.04 -3.71 0.24 0.00 1.34 0.00 0.00 72.50 70.32 1q9i s THR 506 CO -0.03 -0.33 1.82 0.24 -0.54 0.00 0.00 174.62 175.78 1q9i h MET 507 N 8.52 0.00 -7.75 3.99 2.86 -1.67 -3.45 114.93 117.42 1q9i h MET 507 Ca -0.26 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 56.93 1q9i h MET 507 Cb 1.10 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.91 1q9i h MET 507 CO 0.72 0.22 0.40 0.20 1.06 0.00 0.00 176.91 179.51 1q9i s GLY 508 N -4.28 1.75 0.00 8.32 0.00 -1.10 -4.01 107.32 107.99 1q9i s GLY 508 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1q9i s GLY 508 CO 0.64 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1q9i n GLY 509 N -3.64 0.04 3.76 0.20 0.00 -0.58 -4.18 105.19 100.80 1q9i n GLY 509 Ca 0.14 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1q9i n GLY 509 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q9i s VAL 510 N -3.40 3.17 -0.16 1.61 0.11 0.54 -1.26 120.40 121.01 1q9i s VAL 510 Ca 0.00 1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.89 1q9i s VAL 510 Cb 0.00 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.14 1q9i s VAL 510 CO 0.00 0.24 1.17 -0.32 -3.33 0.00 0.00 175.10 172.85 1q9i s MET 511 N -1.75 4.27 0.23 1.54 1.75 -0.08 -1.11 119.30 124.16 1q9i s MET 511 Ca 0.49 1.55 0.11 0.00 -1.25 0.00 0.00 55.69 56.58 1q9i s MET 511 Cb -0.34 -3.68 -0.05 0.00 2.84 0.00 0.00 34.83 33.60 1q9i s MET 511 CO 0.44 -0.61 -0.19 0.96 -0.65 0.00 0.00 175.02 174.97 1q9i s ILE 512 N 3.09 2.21 0.16 10.11 -4.36 -1.26 -1.36 121.20 129.80 1q9i s ILE 512 Ca 0.51 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 1q9i s ILE 512 Cb -0.20 -2.15 0.03 0.00 1.25 0.00 0.00 42.46 41.39 1q9i s ILE 512 CO 0.13 -0.37 0.22 -0.90 0.24 0.00 0.00 174.94 174.27 1q9i n ASP 513 N -0.27 0.35 0.00 4.36 5.68 -0.60 -4.92 116.55 121.15 1q9i n ASP 513 Ca -0.08 -1.28 0.11 0.00 -0.50 0.00 0.00 54.79 53.03 1q9i n ASP 513 Cb 0.59 -0.14 0.57 0.00 -1.14 0.00 0.00 41.12 41.00 1q9i n ASP 513 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1q9i n THR 514 N -1.64 0.24 -0.56 2.12 -2.24 -1.26 -1.38 114.28 109.56 1q9i n THR 514 Ca 0.04 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1q9i n THR 514 Cb 0.14 -0.71 0.29 0.00 -2.10 0.00 0.00 70.33 67.95 1q9i n THR 514 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1q9i n LYS 515 N -1.20 3.32 -1.57 -0.78 5.02 -1.26 -4.95 118.16 116.74 1q9i n LYS 515 Ca 0.12 -2.66 -0.17 0.00 -2.02 0.00 0.00 58.31 53.58 1q9i n LYS 515 Cb 0.14 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 1q9i n LYS 515 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q9i n ALA 516 N 0.76 -0.28 -2.56 7.82 0.00 -0.48 -4.69 120.51 121.09 1q9i n ALA 516 Ca 0.22 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 1q9i n ALA 516 Cb 0.76 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 1q9i n ALA 516 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q9i s GLU 517 N -3.56 4.51 0.20 0.00 2.02 -1.26 -1.09 118.70 119.51 1q9i s GLU 517 Ca 0.00 1.12 -0.30 0.00 0.02 0.00 0.00 54.97 55.81 1q9i s GLU 517 Cb 0.00 -3.41 -0.08 0.00 0.10 0.00 0.00 34.13 30.74 1q9i s GLU 517 CO 0.00 0.13 1.07 0.08 0.02 0.00 0.00 175.26 176.56 1q9i s VAL 518 N 0.46 3.86 0.15 2.63 1.01 -0.47 -1.55 120.40 126.49 1q9i s VAL 518 Ca 0.42 1.68 0.09 0.00 0.00 0.00 0.00 61.98 64.17 1q9i s VAL 518 Cb -0.20 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1q9i s VAL 518 CO 0.23 0.32 -0.16 -0.04 0.00 0.00 0.00 175.10 175.46 1q9i s MET 519 N -0.65 1.85 0.92 2.72 -1.94 -0.46 -1.21 119.30 120.52 1q9i s MET 519 Ca 0.47 -1.25 -0.12 0.00 -1.71 0.00 0.00 55.69 53.08 1q9i s MET 519 Cb -0.29 -2.10 0.20 0.00 2.01 0.00 0.00 34.83 34.65 1q9i s MET 519 CO 0.35 0.46 1.25 0.27 -0.01 0.00 0.00 175.02 177.34 1q9i n ASN 520 N 0.47 0.48 0.30 3.03 0.23 0.13 -1.22 115.26 118.68 1q9i n ASN 520 Ca -0.13 -1.69 0.17 0.00 -0.53 0.00 0.00 54.58 52.40 1q9i n ASN 520 Cb 0.54 -0.92 0.96 0.00 -2.08 0.00 0.00 39.78 38.28 1q9i n ASN 520 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1q9i h ALA 521 N -1.44 1.30 -0.09 -2.53 0.00 -1.90 0.89 119.26 115.49 1q9i h ALA 521 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1q9i h ALA 521 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1q9i h ALA 521 CO 0.32 0.03 0.00 1.63 0.00 0.00 0.00 179.25 181.24 1q9i n LYS 522 N -3.55 1.32 -2.26 0.00 5.02 -1.26 -4.88 118.16 112.55 1q9i n LYS 522 Ca -0.03 -0.49 -0.18 0.00 -2.02 0.00 0.00 58.31 55.60 1q9i n LYS 522 Cb 0.12 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1q9i n LYS 522 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q9i n LYS 523 N -0.24 -1.42 -3.41 1.97 4.01 0.31 -5.01 118.16 114.37 1q9i n LYS 523 Ca 0.12 0.90 -0.38 0.00 -0.51 0.00 0.00 58.31 58.44 1q9i n LYS 523 Cb 0.16 -5.38 -0.06 0.00 -0.51 0.00 0.00 35.03 29.24 1q9i n LYS 523 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1q9i s GLN 524 N -4.76 4.19 0.30 1.97 -0.21 -1.25 -4.83 119.66 115.07 1q9i s GLN 524 Ca 0.00 0.39 -0.29 0.00 0.02 0.00 0.00 55.36 55.48 1q9i s GLN 524 Cb 0.00 -3.36 -0.10 0.00 1.00 0.00 0.00 33.01 30.55 1q9i s GLN 524 CO 0.00 0.35 1.40 0.08 -2.12 0.00 0.00 175.29 175.00 1q9i s VAL 525 N 0.02 2.58 -0.46 1.09 1.01 -1.26 -0.69 120.40 122.69 1q9i s VAL 525 Ca 0.24 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1q9i s VAL 525 Cb -0.15 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.92 1q9i s VAL 525 CO 0.10 0.11 0.54 -0.63 0.00 0.00 0.00 175.10 175.23 1q9i s ILE 526 N -0.58 4.97 0.13 2.22 1.01 -0.35 -4.89 121.20 123.71 1q9i s ILE 526 Ca 0.55 -0.35 -0.31 0.00 0.00 0.00 0.00 60.65 60.54 1q9i s ILE 526 Cb -0.42 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 37.78 1q9i s ILE 526 CO 0.50 -0.60 1.67 -2.84 0.00 0.00 0.00 174.94 173.67 1q9i s PRO 527 N 2.42 4.18 0.00 2.79 0.02 -1.26 -2.04 135.00 141.11 1q9i s PRO 527 Ca 0.15 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1q9i s PRO 527 Cb -0.18 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1q9i s PRO 527 CO 0.14 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 1q9i n GLY 528 N 3.97 0.58 3.41 0.52 0.00 -1.26 -1.22 105.19 111.19 1q9i n GLY 528 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1q9i n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q9i s LEU 529 N 0.00 2.99 0.12 0.99 2.96 -0.87 -0.83 118.68 124.04 1q9i s LEU 529 Ca 0.00 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1q9i s LEU 529 Cb 0.00 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1q9i s LEU 529 CO 0.00 0.13 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.71 1q9i s TYR 530 N 0.60 1.38 -0.01 5.38 1.51 -0.52 -1.37 117.35 124.32 1q9i s TYR 530 Ca -0.04 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1q9i s TYR 530 Cb -0.15 -0.72 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 1q9i s TYR 530 CO 0.03 0.13 -0.07 0.20 -1.11 0.00 0.00 175.55 174.73 1q9i s GLY 531 N -2.42 0.34 -0.12 0.71 0.00 -0.25 -0.46 107.32 105.12 1q9i s GLY 531 Ca 0.08 -0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.42 1q9i s GLY 531 CO 0.03 -0.20 0.32 0.00 0.00 0.00 0.00 173.10 173.25 1q9i s ALA 532 N -0.09 -0.79 0.00 3.20 0.00 -0.63 -4.76 121.76 118.70 1q9i s ALA 532 Ca 0.02 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1q9i s ALA 532 Cb -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1q9i s ALA 532 CO -0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1q9i n GLY 533 N 3.15 -0.82 0.25 0.00 0.00 -1.26 -4.37 105.19 102.14 1q9i n GLY 533 Ca -0.15 -1.91 0.17 0.00 0.00 0.00 0.00 46.02 44.13 1q9i n GLY 533 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1q9i h GLU 534 N 0.00 0.00 0.00 1.61 4.81 -1.92 -0.72 114.58 118.36 1q9i h GLU 534 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1q9i h GLU 534 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1q9i h GLU 534 CO 0.00 0.00 -0.01 -0.24 -0.73 0.00 0.00 179.01 178.03 1q9i h VAL 535 N 0.00 0.16 -3.37 0.32 3.04 -1.75 -3.39 116.25 111.27 1q9i h VAL 535 Ca 0.00 -0.13 -0.49 0.00 -1.01 0.00 0.00 66.70 65.07 1q9i h VAL 535 Cb 0.28 1.11 0.03 0.00 -2.01 0.00 0.00 31.29 30.69 1q9i h VAL 535 CO 0.00 0.01 0.03 0.42 -1.01 0.00 0.00 177.57 177.02 1q9i s THR 536 N -4.18 4.96 0.25 3.17 -4.23 -0.28 -0.34 115.64 114.99 1q9i s THR 536 Ca -0.04 0.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 1q9i s THR 536 Cb 0.13 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1q9i s THR 536 CO 0.47 -0.77 -0.08 -0.83 -0.54 0.00 0.00 174.62 172.87 1q9i s GLY 537 N -4.07 1.73 0.00 3.99 0.00 -0.27 -3.97 107.32 104.73 1q9i s GLY 537 Ca 0.45 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1q9i s GLY 537 CO 0.42 -1.74 0.00 0.61 0.00 0.00 0.00 173.10 172.40 1q9i n GLY 538 N -0.59 1.88 0.15 0.20 0.00 -1.26 -4.39 105.19 101.18 1q9i n GLY 538 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1q9i n GLY 538 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q9i h VAL 539 N 0.00 1.18 -0.01 1.61 2.07 -1.86 0.17 116.25 119.41 1q9i h VAL 539 Ca 0.00 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.88 1q9i h VAL 539 Cb 0.00 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1q9i h VAL 539 CO 0.00 0.82 -0.37 1.41 0.02 0.00 0.00 177.57 179.45 1q9i n HIS 540 N -3.69 0.00 -4.27 1.57 -0.00 -1.26 -4.62 115.22 102.95 1q9i n HIS 540 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1q9i n HIS 540 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.09 1q9i n HIS 540 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1q9i n GLY 541 N 1.10 3.02 0.04 -1.41 0.00 -1.26 -3.06 105.19 103.62 1q9i n GLY 541 Ca 0.04 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.87 1q9i n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9i n ALA 542 N 9.18 2.74 -3.41 4.61 0.00 -0.82 -4.73 120.51 128.08 1q9i n ALA 542 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.24 1q9i n ALA 542 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 1q9i n ALA 542 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q9i s ASN 543 N -2.75 -0.82 0.21 0.00 2.47 -1.17 -4.80 114.94 108.09 1q9i s ASN 543 Ca 0.21 0.96 -0.28 0.00 0.42 0.00 0.00 52.86 54.17 1q9i s ASN 543 Cb 0.19 1.86 -0.09 0.00 -1.45 0.00 0.00 41.25 41.77 1q9i s ASN 543 CO 0.53 -0.16 0.87 -0.60 -3.72 0.00 0.00 177.10 174.03 1q9i s ARG 544 N 2.68 4.73 0.26 0.43 3.52 -1.25 -3.38 118.95 125.92 1q9i s ARG 544 Ca -0.00 1.34 -0.30 0.00 -0.13 0.00 0.00 55.73 56.64 1q9i s ARG 544 Cb -0.09 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 29.95 1q9i s ARG 544 CO -0.18 0.54 1.03 -0.51 -0.81 0.00 0.00 175.30 175.37 1q9i s LEU 545 N -1.19 4.59 0.24 -0.88 1.43 -1.26 -4.76 118.68 116.84 1q9i s LEU 545 Ca 0.39 2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 55.31 1q9i s LEU 545 Cb -0.25 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.22 1q9i s LEU 545 CO 0.29 -0.03 1.41 0.61 0.23 0.00 0.00 176.35 178.87 1q9i n GLY 546 N 1.37 0.78 0.98 -3.19 0.00 -1.26 -1.52 105.19 102.35 1q9i n GLY 546 Ca -0.01 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1q9i n GLY 546 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9i n GLY 547 N 2.19 2.17 0.06 -0.02 0.00 -1.26 -4.78 105.19 103.55 1q9i n GLY 547 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1q9i n GLY 547 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q9i n ASN 548 N 0.00 0.70 0.03 1.61 4.13 -0.57 -1.08 115.26 120.07 1q9i n ASN 548 Ca 0.00 0.14 -0.19 0.00 1.68 0.00 0.00 54.58 56.21 1q9i n ASN 548 Cb 0.00 0.10 -0.11 0.00 -1.54 0.00 0.00 39.78 38.23 1q9i n ASN 548 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q9i h ALA 549 N 2.53 0.07 -0.58 5.41 0.00 -1.90 -1.77 119.26 123.01 1q9i h ALA 549 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 1q9i h ALA 549 Cb 0.74 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1q9i h ALA 549 CO 0.00 0.51 0.06 0.82 0.00 0.00 0.00 179.25 180.65 1q9i h ILE 550 N 0.10 1.25 -0.19 0.00 1.08 -1.83 -0.70 117.51 117.24 1q9i h ILE 550 Ca -0.11 -1.01 0.03 0.00 -0.39 0.00 0.00 64.86 63.38 1q9i h ILE 550 Cb 1.55 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.00 1q9i h ILE 550 CO 0.17 0.37 -0.02 -1.28 -0.69 0.00 0.00 178.15 176.69 1q9i h SER 551 N 0.89 -0.12 -0.03 1.72 0.87 -1.59 -2.46 113.55 112.83 1q9i h SER 551 Ca 0.18 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1q9i h SER 551 Cb 0.43 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 1q9i h SER 551 CO 0.01 -0.04 -0.29 -0.78 -0.53 0.00 0.00 176.83 175.21 1q9i h ASP 552 N 0.03 -0.87 0.24 6.23 3.58 -0.98 -2.06 116.42 122.59 1q9i h ASP 552 Ca 0.09 0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 1q9i h ASP 552 Cb 0.12 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1q9i h ASP 552 CO -0.17 -0.35 -0.31 0.16 -2.88 0.00 0.00 179.24 175.69 1q9i h ILE 553 N -0.41 1.25 0.00 2.25 3.07 -0.92 0.16 117.51 122.90 1q9i h ILE 553 Ca 0.07 -1.19 -0.06 0.00 1.55 0.00 0.00 64.86 65.23 1q9i h ILE 553 Cb 0.52 1.56 0.01 0.00 -0.27 0.00 0.00 36.82 38.63 1q9i h ILE 553 CO -0.27 0.35 -0.25 0.40 -1.05 0.00 0.00 178.15 177.33 1q9i h ILE 554 N 0.11 1.56 0.20 0.16 1.08 -1.40 -0.82 117.51 118.39 1q9i h ILE 554 Ca 0.01 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 1q9i h ILE 554 Cb 0.61 2.80 -0.01 0.00 -3.07 0.00 0.00 36.82 37.15 1q9i h ILE 554 CO 0.04 0.54 -0.17 0.74 -0.69 0.00 0.00 178.15 178.61 1q9i h THR 555 N -0.52 0.62 0.03 -0.27 2.02 -1.07 -0.75 112.91 112.96 1q9i h THR 555 Ca -0.03 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.93 1q9i h THR 555 Cb 1.02 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1q9i h THR 555 CO 0.05 0.00 -0.98 -0.26 0.37 0.00 0.00 175.52 174.70 1q9i h PHE 556 N -0.40 0.39 0.07 3.16 0.04 -0.80 -1.47 116.94 117.94 1q9i h PHE 556 Ca -0.00 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.53 1q9i h PHE 556 Cb 0.36 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1q9i h PHE 556 CO -0.13 1.08 -0.03 0.78 -0.60 0.00 0.00 178.31 179.41 1q9i h GLY 557 N 1.72 -0.10 0.54 -1.45 0.00 -1.14 0.10 103.07 102.75 1q9i h GLY 557 Ca -0.07 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.36 1q9i h GLY 557 CO 0.16 -0.04 0.16 -0.09 0.00 0.00 0.00 176.54 176.73 1q9i h ARG 558 N -0.23 0.31 -0.47 4.80 2.43 -1.13 -1.50 114.38 118.59 1q9i h ARG 558 Ca -0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1q9i h ARG 558 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1q9i h ARG 558 CO 0.02 0.21 0.19 1.25 -1.51 0.00 0.00 179.97 180.13 1q9i h LEU 559 N 0.32 0.64 -0.84 3.80 5.85 -1.18 -2.14 115.31 121.77 1q9i h LEU 559 Ca 0.22 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1q9i h LEU 559 Cb 0.24 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1q9i h LEU 559 CO -0.24 0.63 0.51 0.00 -0.34 0.00 0.00 178.44 179.00 1q9i h ALA 560 N 1.04 1.07 -0.64 1.25 0.00 -0.65 0.47 119.26 121.80 1q9i h ALA 560 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1q9i h ALA 560 Cb 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1q9i h ALA 560 CO -0.01 0.53 0.08 0.78 0.00 0.00 0.00 179.25 180.63 1q9i h GLY 561 N 1.15 1.16 0.97 0.00 0.00 -1.04 0.12 103.07 105.43 1q9i h GLY 561 Ca 0.30 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1q9i h GLY 561 CO -0.06 0.72 -0.24 0.83 0.00 0.00 0.00 176.54 177.80 1q9i h GLU 562 N 1.00 0.71 -0.42 4.80 5.08 -0.85 -1.57 114.58 123.32 1q9i h GLU 562 Ca 0.19 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1q9i h GLU 562 Cb 0.46 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1q9i h GLU 562 CO 0.02 0.96 -0.08 0.93 -1.00 0.00 0.00 179.01 179.84 1q9i h GLU 563 N 0.47 0.80 -0.85 2.33 4.39 -0.74 -1.40 114.58 119.58 1q9i h GLU 563 Ca 0.06 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1q9i h GLU 563 Cb 0.79 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1q9i h GLU 563 CO 0.06 0.91 0.46 0.00 -1.16 0.00 0.00 179.01 179.28 1q9i h ALA 564 N 0.86 1.09 -0.34 3.43 0.00 -0.72 -0.16 119.26 123.41 1q9i h ALA 564 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1q9i h ALA 564 Cb 0.60 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1q9i h ALA 564 CO 0.04 0.60 0.13 0.00 0.00 0.00 0.00 179.25 180.01 1q9i h ALA 565 N 1.25 0.44 -0.60 0.00 0.00 -1.09 0.13 119.26 119.40 1q9i h ALA 565 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1q9i h ALA 565 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1q9i h ALA 565 CO -0.05 0.05 0.32 0.87 0.00 0.00 0.00 179.25 180.44 1q9i h LYS 566 N 0.40 0.84 -0.43 0.00 1.57 -1.04 -2.79 116.57 115.12 1q9i h LYS 566 Ca 0.11 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1q9i h LYS 566 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1q9i h LYS 566 CO -0.01 0.65 0.23 -0.92 -0.57 0.00 0.00 179.45 178.83 1q9i h TYR 567 N 0.81 0.59 0.00 -1.35 3.20 -0.85 -3.51 116.97 115.86 1q9i h TYR 567 Ca 0.21 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1q9i h TYR 567 Cb 0.06 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1q9i h TYR 567 CO -0.01 0.46 0.00 0.45 -1.64 0.00 0.00 178.16 177.42