#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjd n ASP 2 N 0.00 1.90 -3.59 0.00 8.00 -1.26 -4.99 116.55 116.61 1qjd n ASP 2 Ca 0.00 -1.43 -0.10 0.00 0.71 0.00 0.00 54.79 53.97 1qjd n ASP 2 Cb 0.00 0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1qjd n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1qjd s ASN 3 N -2.47 -0.45 0.18 -2.24 2.20 -1.26 -4.58 114.94 106.31 1qjd s ASN 3 Ca 0.20 -0.23 -0.12 0.00 -0.94 0.00 0.00 52.86 51.77 1qjd s ASN 3 Cb 0.18 0.64 0.08 0.00 -2.00 0.00 0.00 41.25 40.16 1qjd s ASN 3 CO 0.56 -1.10 1.74 0.25 -2.94 0.00 0.00 177.10 175.61 1qjd h LEU 4 N 2.01 0.84 -0.27 3.54 6.46 -1.69 -1.26 115.31 124.95 1qjd h LEU 4 Ca -0.29 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1qjd h LEU 4 Cb 1.29 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 1qjd h LEU 4 CO 0.33 0.77 0.14 0.00 -0.62 0.00 0.00 178.44 179.06 1qjd h ALA 5 N 1.10 0.35 -0.92 1.25 0.00 -0.67 -1.99 119.26 118.38 1qjd h ALA 5 Ca 0.21 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1qjd h ALA 5 Cb 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1qjd h ALA 5 CO -0.02 -0.11 0.57 1.49 0.00 0.00 0.00 179.25 181.19 1qjd h GLU 6 N 0.31 0.99 -0.06 0.00 4.81 -1.66 0.03 114.58 119.00 1qjd h GLU 6 Ca 0.09 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1qjd h GLU 6 Cb 0.09 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 1qjd h GLU 6 CO -0.01 0.65 -0.37 0.35 -0.73 0.00 0.00 179.01 178.90 1qjd h PHE 7 N 1.01 -1.04 -0.16 0.92 3.57 -0.88 -3.16 116.94 117.21 1qjd h PHE 7 Ca 0.41 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.80 1qjd h PHE 7 Cb 0.23 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1qjd h PHE 7 CO -0.02 -0.45 -0.54 0.45 -2.23 0.00 0.00 178.31 175.52 1qjd h HIS 8 N -0.49 0.57 0.00 0.41 3.86 -0.54 -2.90 115.15 116.07 1qjd h HIS 8 Ca 0.07 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1qjd h HIS 8 Cb 0.60 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1qjd h HIS 8 CO -0.41 0.90 0.00 1.33 0.86 0.00 0.00 177.93 180.61 1qjd n VAL 9 N -3.95 0.41 -0.21 2.45 0.24 -0.10 -1.06 118.33 116.10 1qjd n VAL 9 Ca -0.03 0.10 0.17 0.00 -2.04 0.00 0.00 64.34 62.55 1qjd n VAL 9 Cb 0.59 -0.76 0.50 0.00 -1.47 0.00 0.00 33.84 32.70 1qjd n VAL 9 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1qjd h GLN 10 N 0.00 0.41 0.00 7.34 4.20 -1.48 -3.21 115.11 122.36 1qjd h GLN 10 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1qjd h GLN 10 Cb 0.22 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1qjd h GLN 10 CO 0.00 0.27 -0.19 0.27 -0.67 0.00 0.00 178.83 178.51 1qjd n ASN 11 N -4.49 0.44 -4.14 1.46 6.94 -0.84 -5.09 115.26 109.53 1qjd n ASN 11 Ca 0.17 -1.68 -0.13 0.00 -0.02 0.00 0.00 54.58 52.92 1qjd n ASN 11 Cb 0.61 -0.12 -0.11 0.00 -2.36 0.00 0.00 39.78 37.81 1qjd n ASN 11 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1qjd s GLN 12 N -0.38 0.75 0.52 -3.83 -0.21 -0.23 -5.14 119.66 111.14 1qjd s GLN 12 Ca 0.03 -1.10 -0.12 0.00 0.02 0.00 0.00 55.36 54.20 1qjd s GLN 12 Cb 0.03 -0.37 -0.06 0.00 1.00 0.00 0.00 33.01 33.61 1qjd s GLN 12 CO 0.00 0.04 0.92 -1.21 -2.12 0.00 0.00 175.29 172.92 1qjd s GLU 13 N -2.76 3.73 0.37 2.91 0.41 -1.26 -4.35 118.70 117.75 1qjd s GLU 13 Ca 0.03 0.65 0.13 0.00 -0.41 0.00 0.00 54.97 55.38 1qjd s GLU 13 Cb -0.02 -2.22 0.96 0.00 -1.78 0.00 0.00 34.13 31.07 1qjd s GLU 13 CO -0.01 -0.30 1.81 0.00 -0.49 0.00 0.00 175.26 176.27 1qjd n ASP 15 N -4.62 0.00 -0.09 0.00 5.68 -1.26 -1.50 116.55 114.76 1qjd n ASP 15 Ca 0.22 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1qjd n ASP 15 Cb 0.69 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.95 1qjd n ASP 15 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1qjd h SER 16 N 0.00 0.65 0.00 -1.12 4.64 -1.39 -3.33 113.55 113.00 1qjd h SER 16 Ca 0.00 -0.07 -0.36 0.00 -0.47 0.00 0.00 61.79 60.90 1qjd h SER 16 Cb 0.00 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 61.86 1qjd h SER 16 CO 0.00 0.57 -2.35 0.00 -0.87 0.00 0.00 176.83 174.18 1qjd s HIS 18 N -2.48 3.35 0.69 0.00 3.76 -0.56 -4.35 115.29 115.70 1qjd s HIS 18 Ca -0.30 0.48 -0.16 0.00 -0.15 0.00 0.00 55.06 54.93 1qjd s HIS 18 Cb 0.08 -2.35 0.02 0.00 1.11 0.00 0.00 32.58 31.44 1qjd s HIS 18 CO 0.57 -0.38 1.18 0.95 -0.85 0.00 0.00 174.74 176.21 1qjd s THR 19 N -2.67 2.63 0.29 1.30 -4.23 -1.26 -4.60 115.64 107.10 1qjd s THR 19 Ca 0.48 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1qjd s THR 19 Cb -0.10 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.17 1qjd s THR 19 CO 0.41 -0.16 1.62 -0.65 -0.54 0.00 0.00 174.62 175.30 1qjd h PRO 20 N 0.00 0.11 0.00 3.99 0.11 -1.93 0.25 132.00 134.53 1qjd h PRO 20 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qjd h PRO 20 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qjd h PRO 20 CO 0.52 0.07 0.00 0.38 -0.21 0.00 0.00 178.00 178.76 1qjd h ASP 21 N 0.11 0.00 0.00 -2.05 3.04 -2.04 -3.48 116.42 112.01 1qjd h ASP 21 Ca 0.54 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.33 1qjd h ASP 21 Cb 1.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 1qjd h ASP 21 CO -0.75 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.06 1qjd n GLY 22 N 1.01 1.30 3.75 7.15 0.00 0.88 -5.03 105.19 114.26 1qjd n GLY 22 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1qjd n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qjd s GLU 23 N -0.55 4.50 0.31 1.61 2.12 -1.26 -4.81 118.70 120.62 1qjd s GLU 23 Ca 0.00 1.94 -0.29 0.00 0.36 0.00 0.00 54.97 56.98 1qjd s GLU 23 Cb 0.00 -3.18 -0.11 0.00 0.26 0.00 0.00 34.13 31.10 1qjd s GLU 23 CO 0.00 -0.02 1.49 -0.51 -0.54 0.00 0.00 175.26 175.68 1qjd s LEU 24 N -0.97 4.36 0.20 2.70 1.43 -1.26 -4.50 118.68 120.64 1qjd s LEU 24 Ca 0.49 2.86 -0.11 0.00 -1.03 0.00 0.00 54.13 56.35 1qjd s LEU 24 Cb -0.34 -3.64 0.14 0.00 0.03 0.00 0.00 46.19 42.38 1qjd s LEU 24 CO 0.42 -0.80 1.86 0.77 0.23 0.00 0.00 176.35 178.83 1qjd h SER 25 N 4.28 0.86 -5.89 2.29 4.64 -1.94 -3.47 113.55 114.30 1qjd h SER 25 Ca -0.48 -0.05 0.37 0.00 -0.47 0.00 0.00 61.79 61.16 1qjd h SER 25 Cb 1.22 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 63.00 1qjd h SER 25 CO 0.73 0.65 0.94 0.54 -0.87 0.00 0.00 176.83 178.82 1qjd s ASN 26 N -5.92 -0.01 0.16 4.97 2.20 -1.26 -4.99 114.94 110.10 1qjd s ASN 26 Ca -0.13 -0.10 0.24 0.00 -0.94 0.00 0.00 52.86 51.93 1qjd s ASN 26 Cb 0.15 0.09 0.91 0.00 -2.00 0.00 0.00 41.25 40.39 1qjd s ASN 26 CO 0.78 -0.17 1.72 0.47 -2.94 0.00 0.00 177.10 176.97 1qjd n ASP 27 N -0.80 0.51 -0.01 3.54 8.00 -1.26 -1.63 116.55 124.90 1qjd n ASP 27 Ca -0.02 0.59 0.14 0.00 0.71 0.00 0.00 54.79 56.21 1qjd n ASP 27 Cb 0.61 -0.71 0.62 0.00 -0.02 0.00 0.00 41.12 41.62 1qjd n ASP 27 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qjd n SER 28 N -2.02 0.07 -3.84 -2.24 7.64 -1.25 -4.41 113.62 107.56 1qjd n SER 28 Ca 0.04 0.22 -0.27 0.00 1.01 0.00 0.00 58.87 59.86 1qjd n SER 28 Cb 0.30 -0.36 0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1qjd n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qjd n LEU 29 N -1.41 -2.73 0.22 -3.43 4.77 -0.65 -4.90 117.00 108.86 1qjd n LEU 29 Ca 0.09 -0.79 -0.15 0.00 -0.03 0.00 0.00 56.01 55.13 1qjd n LEU 29 Cb 0.31 -2.60 -0.08 0.00 -2.33 0.00 0.00 43.42 38.73 1qjd n LEU 29 CO 0.27 0.46 0.62 0.74 -1.33 0.00 0.00 177.39 178.15 1qjd h THR 30 N -2.05 0.25 -0.25 -5.08 2.02 -1.92 -1.37 112.91 104.51 1qjd h THR 30 Ca -0.59 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.62 1qjd h THR 30 Cb 1.37 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1qjd h THR 30 CO 0.64 0.00 0.07 0.22 0.37 0.00 0.00 175.52 176.81 1qjd h TYR 31 N -0.74 0.11 -0.35 3.16 5.03 -1.95 -1.10 116.97 121.13 1qjd h TYR 31 Ca -0.02 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1qjd h TYR 31 Cb 0.67 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.92 1qjd h TYR 31 CO -0.22 0.04 0.22 0.93 -1.32 0.00 0.00 178.16 177.82 1qjd h GLU 32 N 0.17 0.46 -0.71 1.82 3.07 -1.72 -1.18 114.58 116.49 1qjd h GLU 32 Ca 0.11 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1qjd h GLU 32 Cb 0.10 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1qjd h GLU 32 CO -0.14 0.32 0.27 -0.91 -1.40 0.00 0.00 179.01 177.16 1qjd h ASN 33 N 0.46 0.98 -0.97 1.42 2.35 -1.11 -1.25 115.58 117.47 1qjd h ASN 33 Ca 0.13 -0.15 0.16 0.00 -0.55 0.00 0.00 56.30 55.89 1qjd h ASN 33 Cb -0.03 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.00 1qjd h ASN 33 CO -0.03 0.88 0.61 0.74 -1.65 0.00 0.00 177.43 177.98 1qjd h THR 34 N 1.04 0.78 -0.37 2.81 2.02 -0.36 0.05 112.91 118.88 1qjd h THR 34 Ca 0.24 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 1qjd h THR 34 Cb 0.21 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1qjd h THR 34 CO -0.02 0.14 -0.25 1.56 0.37 0.00 0.00 175.52 177.32 1qjd h GLN 35 N 0.76 0.82 -0.41 6.66 1.08 -0.07 -0.19 115.11 123.76 1qjd h GLN 35 Ca 0.51 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1qjd h GLN 35 Cb 0.80 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 1qjd h GLN 35 CO -0.28 1.03 0.26 0.00 -0.95 0.00 0.00 178.83 178.89 1qjd h VAL 37 N 0.55 1.25 -0.87 0.00 2.07 -0.89 0.86 116.25 119.21 1qjd h VAL 37 Ca 0.15 -0.81 0.18 0.00 0.82 0.00 0.00 66.70 67.04 1qjd h VAL 37 Cb -0.05 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1qjd h VAL 37 CO -0.03 0.32 0.57 0.77 0.02 0.00 0.00 177.57 179.22 1qjd h SER 38 N 1.03 0.43 0.04 0.57 4.64 -0.56 0.99 113.55 120.69 1qjd h SER 38 Ca 0.23 0.04 -0.38 0.00 -0.47 0.00 0.00 61.79 61.21 1qjd h SER 38 Cb 0.24 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1qjd h SER 38 CO -0.02 0.19 -2.30 0.00 -0.87 0.00 0.00 176.83 173.83 1qjd n HIS 40 N -3.44 0.45 0.00 0.00 8.25 0.23 -5.09 115.22 115.62 1qjd n HIS 40 Ca -0.42 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1qjd n HIS 40 Cb 0.99 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1qjd n HIS 40 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qjd n GLY 41 N 1.30 0.75 3.67 -1.41 0.00 0.33 -4.42 105.19 105.40 1qjd n GLY 41 Ca 0.01 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 1qjd n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qjd s THR 42 N -1.43 2.33 0.37 2.61 -4.23 -1.26 -4.42 115.64 109.61 1qjd s THR 42 Ca 0.00 0.11 0.09 0.00 -1.18 0.00 0.00 61.69 60.71 1qjd s THR 42 Cb 0.00 -2.51 0.32 0.00 1.34 0.00 0.00 72.50 71.65 1qjd s THR 42 CO 0.00 -0.14 1.91 0.25 -0.54 0.00 0.00 174.62 176.10 1qjd h LEU 43 N -1.85 0.62 -0.73 4.79 5.85 -1.92 0.15 115.31 122.23 1qjd h LEU 43 Ca -0.53 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 1qjd h LEU 43 Cb 1.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1qjd h LEU 43 CO 0.54 0.35 -0.29 0.00 -0.34 0.00 0.00 178.44 178.70 1qjd h ALA 44 N 1.60 0.91 -0.45 1.25 0.00 -1.91 -1.24 119.26 119.42 1qjd h ALA 44 Ca 0.39 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1qjd h ALA 44 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1qjd h ALA 44 CO -0.16 0.62 -0.20 0.93 0.00 0.00 0.00 179.25 180.44 1qjd h GLU 45 N 0.55 0.89 -0.83 0.00 5.08 -1.35 -2.40 114.58 116.52 1qjd h GLU 45 Ca 0.07 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 1qjd h GLU 45 Cb 0.78 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1qjd h GLU 45 CO 0.06 1.01 0.37 0.28 -1.00 0.00 0.00 179.01 179.74 1qjd h VAL 46 N 0.78 1.26 -0.71 3.13 2.07 -0.57 -2.87 116.25 119.34 1qjd h VAL 46 Ca 0.11 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.97 1qjd h VAL 46 Cb 0.75 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1qjd h VAL 46 CO 0.06 0.32 0.47 0.00 0.02 0.00 0.00 177.57 178.44 1qjd h ALA 47 N 1.21 1.91 -0.11 1.67 0.00 -0.74 0.15 119.26 123.36 1qjd h ALA 47 Ca 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1qjd h ALA 47 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qjd h ALA 47 CO -0.03 -0.07 0.11 0.93 0.00 0.00 0.00 179.25 180.19 1qjd h GLU 48 N 0.56 0.00 -0.00 0.00 4.39 -1.24 -1.70 114.58 116.59 1qjd h GLU 48 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1qjd h GLU 48 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1qjd h GLU 48 CO -0.11 0.00 -0.55 0.25 -1.16 0.00 0.00 179.01 177.43 1qjd n THR 49 N -3.97 0.00 -1.88 1.13 -2.24 0.51 -4.31 114.28 103.52 1qjd n THR 49 Ca -0.00 -0.07 0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1qjd n THR 49 Cb 0.22 0.63 0.15 0.00 -2.10 0.00 0.00 70.33 69.22 1qjd n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qjd n THR 50 N -1.04 1.67 -2.39 4.28 -2.24 -0.65 -5.08 114.28 108.83 1qjd n THR 50 Ca 0.07 -2.75 -0.36 0.00 -2.27 0.00 0.00 64.05 58.74 1qjd n THR 50 Cb 0.36 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1qjd n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qjd s LYS 51 N -2.48 3.83 0.33 -0.78 1.02 -1.17 -4.60 119.74 115.89 1qjd s LYS 51 Ca 0.38 1.60 0.09 0.00 0.02 0.00 0.00 55.97 58.06 1qjd s LYS 51 Cb 0.38 -2.34 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1qjd s LYS 51 CO -0.09 -0.45 -0.10 -1.01 -0.92 0.00 0.00 175.35 172.79 1qjd s HIS 52 N -1.68 2.35 0.14 3.18 3.76 -0.79 -5.05 115.29 117.20 1qjd s HIS 52 Ca 0.64 -0.51 -0.18 0.00 -0.15 0.00 0.00 55.06 54.86 1qjd s HIS 52 Cb -0.24 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.14 1qjd s HIS 52 CO 0.29 0.56 1.74 1.49 -0.85 0.00 0.00 174.74 177.97 1qjd h GLU 53 N 2.06 0.16 -0.20 1.40 4.81 -2.03 -3.23 114.58 117.56 1qjd h GLU 53 Ca -0.42 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1qjd h GLU 53 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1qjd h GLU 53 CO 0.69 0.11 0.00 0.72 -0.73 0.00 0.00 179.01 179.80 1qjd n HIS 54 N -5.08 0.67 -3.58 0.92 8.25 -1.26 -5.04 115.22 110.11 1qjd n HIS 54 Ca -0.01 -0.88 -0.05 0.00 -0.26 0.00 0.00 57.72 56.52 1qjd n HIS 54 Cb 0.12 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 1qjd n HIS 54 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1qjd s TYR 55 N -2.72 -0.18 -0.30 4.41 1.13 -1.22 -4.87 117.35 113.61 1qjd s TYR 55 Ca 0.38 0.12 -0.10 0.00 -1.41 0.00 0.00 57.07 56.06 1qjd s TYR 55 Cb 0.31 0.52 0.13 0.00 -1.10 0.00 0.00 41.96 41.82 1qjd s TYR 55 CO 0.08 -0.27 0.65 1.21 -2.51 0.00 0.00 175.55 174.70 1qjd s ASN 56 N -2.21 -1.15 0.59 -0.18 3.04 -1.26 -1.89 114.94 111.88 1qjd s ASN 56 Ca 0.08 1.57 0.29 0.00 0.04 0.00 0.00 52.86 54.84 1qjd s ASN 56 Cb -0.01 2.31 1.75 0.00 -1.54 0.00 0.00 41.25 43.76 1qjd s ASN 56 CO -0.05 -0.22 2.21 0.00 -3.04 0.00 0.00 177.10 176.00 1qjd h ALA 57 N 8.00 1.63 -0.39 1.71 0.00 -1.97 -1.99 119.26 126.25 1qjd h ALA 57 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qjd h ALA 57 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1qjd h ALA 57 CO 0.10 -0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.00 1qjd n HIS 58 N -3.88 0.51 -3.42 0.00 8.25 -1.26 -4.61 115.22 110.80 1qjd n HIS 58 Ca -0.02 -0.32 -0.26 0.00 -0.26 0.00 0.00 57.72 56.86 1qjd n HIS 58 Cb 0.14 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.14 1qjd n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qjd s ALA 59 N -1.21 0.70 0.37 -1.41 0.00 -0.75 -4.55 121.76 114.91 1qjd s ALA 59 Ca 0.33 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1qjd s ALA 59 Cb 0.19 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1qjd s ALA 59 CO 0.26 -2.10 0.14 -1.13 0.00 0.00 0.00 175.76 172.93 1qjd n SER 60 N 3.91 2.63 0.00 0.00 3.41 -1.26 -4.42 113.62 117.90 1qjd n SER 60 Ca 0.14 -2.46 0.14 0.00 -0.26 0.00 0.00 58.87 56.43 1qjd n SER 60 Cb 0.40 0.12 0.79 0.00 -0.26 0.00 0.00 64.21 65.26 1qjd n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qjd n HIS 61 N -1.14 0.00 -2.27 7.33 1.44 -1.26 -4.85 115.22 114.46 1qjd n HIS 61 Ca -0.09 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.21 1qjd n HIS 61 Cb 0.45 -0.04 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 1qjd n HIS 61 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1qjd s PHE 62 N -2.08 3.31 0.77 -1.40 0.40 -1.26 -4.85 117.98 112.88 1qjd s PHE 62 Ca 0.39 1.34 -0.03 0.00 -0.60 0.00 0.00 56.93 58.03 1qjd s PHE 62 Cb 0.19 -3.53 0.15 0.00 0.51 0.00 0.00 43.02 40.33 1qjd s PHE 62 CO 0.33 -1.56 1.06 -1.25 0.70 0.00 0.00 175.22 174.49 1qjd s PRO 63 N -0.45 1.44 0.29 0.24 0.04 -1.26 -4.97 135.00 130.33 1qjd s PRO 63 Ca 0.54 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1qjd s PRO 63 Cb -0.35 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1qjd s PRO 63 CO 0.40 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1qjd n GLY 64 N -3.00 -2.18 3.32 0.56 0.00 -1.26 -4.68 105.19 97.95 1qjd n GLY 64 Ca 0.16 -1.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 1qjd n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qjd s GLU 65 N -0.84 2.87 -0.18 1.61 2.02 -1.26 -5.04 118.70 117.88 1qjd s GLU 65 Ca 0.00 -1.55 -0.29 0.00 0.02 0.00 0.00 54.97 53.14 1qjd s GLU 65 Cb 0.00 -4.13 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 1qjd s GLU 65 CO 0.00 -1.16 1.18 0.08 0.02 0.00 0.00 175.26 175.39 1qjd s VAL 66 N 1.56 4.42 0.31 2.63 1.01 -1.26 -4.97 120.40 124.10 1qjd s VAL 66 Ca 0.04 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 1qjd s VAL 66 Cb -0.27 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 1qjd s VAL 66 CO 0.04 -0.14 1.40 0.00 0.00 0.00 0.00 175.10 176.40 1qjd s ALA 67 N 3.33 3.57 0.31 5.51 0.00 -1.26 -4.90 121.76 128.31 1qjd s ALA 67 Ca 0.51 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.89 1qjd s ALA 67 Cb -0.20 -3.54 0.73 0.00 0.00 0.00 0.00 23.12 20.12 1qjd s ALA 67 CO 0.12 -0.78 1.79 0.00 0.00 0.00 0.00 175.76 176.90 1qjd n THR 69 N -4.72 0.32 -0.02 0.00 -2.24 -1.26 -1.39 114.28 104.97 1qjd n THR 69 Ca 0.22 0.08 0.04 0.00 -2.27 0.00 0.00 64.05 62.12 1qjd n THR 69 Cb 0.55 -0.83 0.41 0.00 -2.10 0.00 0.00 70.33 68.36 1qjd n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qjd h SER 70 N 0.00 0.50 0.00 3.42 0.02 -1.53 -3.34 113.55 112.63 1qjd h SER 70 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1qjd h SER 70 Cb 0.08 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1qjd h SER 70 CO 0.00 0.37 -0.93 0.00 -1.14 0.00 0.00 176.83 175.13 1qjd s HIS 72 N -1.93 3.50 0.71 0.00 3.76 -0.48 -4.03 115.29 116.82 1qjd s HIS 72 Ca 0.00 -2.00 -0.11 0.00 -0.15 0.00 0.00 55.06 52.80 1qjd s HIS 72 Cb 0.00 -3.59 0.01 0.00 1.11 0.00 0.00 32.58 30.12 1qjd s HIS 72 CO 0.00 -0.97 1.08 -1.12 -0.85 0.00 0.00 174.74 172.88 1qjd s SER 73 N 2.25 5.38 -0.26 1.40 0.01 -1.26 -4.17 113.70 117.05 1qjd s SER 73 Ca 0.11 1.33 -0.11 0.00 1.31 0.00 0.00 55.95 58.59 1qjd s SER 73 Cb -0.20 -2.18 -0.12 0.00 0.21 0.00 0.00 66.02 63.73 1qjd s SER 73 CO -0.03 -1.41 -0.32 0.00 0.41 0.00 0.00 173.24 171.89 1qjd n ALA 74 N -3.08 1.35 0.69 1.44 0.00 -1.26 -4.47 120.51 115.18 1qjd n ALA 74 Ca 0.07 -1.03 0.11 0.00 0.00 0.00 0.00 53.44 52.59 1qjd n ALA 74 Cb 0.56 0.14 0.26 0.00 0.00 0.00 0.00 19.45 20.41 1qjd n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qjd n HIS 75 N -4.03 0.36 -3.90 0.00 8.25 -1.26 0.04 115.22 114.68 1qjd n HIS 75 Ca -0.50 -0.18 -0.09 0.00 -0.26 0.00 0.00 57.72 56.69 1qjd n HIS 75 Cb 0.87 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.91 1qjd n HIS 75 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1qjd s GLU 76 N -1.64 1.00 0.69 -0.41 -1.05 -1.26 -4.96 118.70 111.08 1qjd s GLU 76 Ca 0.36 -1.06 -0.15 0.00 -0.15 0.00 0.00 54.97 53.97 1qjd s GLU 76 Cb 0.21 0.36 0.02 0.00 -0.44 0.00 0.00 34.13 34.28 1qjd s GLU 76 CO 0.30 -0.34 1.14 0.15 0.95 0.00 0.00 175.26 177.46 1qjd s LYS 77 N -3.91 2.51 0.23 -4.83 -0.14 -1.26 -4.56 119.74 107.79 1qjd s LYS 77 Ca 0.11 1.52 0.01 0.00 -1.36 0.00 0.00 55.97 56.25 1qjd s LYS 77 Cb 0.04 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 1qjd s LYS 77 CO -0.06 -1.50 0.14 -1.54 -0.76 0.00 0.00 175.35 171.64 1qjd s SER 78 N -2.39 0.64 -0.02 2.83 1.04 -0.47 -4.84 113.70 110.50 1qjd s SER 78 Ca 0.69 -1.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.68 1qjd s SER 78 Cb -0.24 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1qjd s SER 78 CO 0.43 -0.84 0.07 -0.04 0.98 0.00 0.00 173.24 173.84 1qjd s MET 79 N -4.03 3.06 -0.27 4.02 -1.94 -1.26 -0.34 119.30 118.54 1qjd s MET 79 Ca 0.39 -0.46 -0.27 0.00 -1.71 0.00 0.00 55.69 53.64 1qjd s MET 79 Cb 0.07 -2.86 0.01 0.00 2.01 0.00 0.00 34.83 34.05 1qjd s MET 79 CO 0.14 0.66 0.93 0.08 -0.01 0.00 0.00 175.02 176.83 1qjd s VAL 80 N -1.14 4.71 0.41 -6.03 1.01 -1.26 -4.47 120.40 113.63 1qjd s VAL 80 Ca 0.21 1.65 0.09 0.00 0.00 0.00 0.00 61.98 63.93 1qjd s VAL 80 Cb -0.12 -4.24 0.22 0.00 0.00 0.00 0.00 36.38 32.24 1qjd s VAL 80 CO 0.12 -0.23 2.01 0.22 0.00 0.00 0.00 175.10 177.21 1qjd h TYR 81 N 7.79 0.35 0.00 5.22 5.03 -1.92 -1.01 116.97 132.43 1qjd h TYR 81 Ca -0.22 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.08 1qjd h TYR 81 Cb 1.08 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 39.25 1qjd h TYR 81 CO 0.77 0.31 -0.02 0.00 -1.32 0.00 0.00 178.16 177.91 1qjd n ASP 83 N -3.55 0.00 0.00 0.00 8.00 -0.38 -1.28 116.55 119.33 1qjd n ASP 83 Ca -0.03 0.49 0.12 0.00 0.71 0.00 0.00 54.79 56.08 1qjd n ASP 83 Cb 0.11 -0.50 0.52 0.00 -0.02 0.00 0.00 41.12 41.23 1qjd n ASP 83 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qjd n SER 84 N -1.50 0.00 0.00 -2.24 3.41 -0.68 -4.01 113.62 108.61 1qjd n SER 84 Ca 0.03 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1qjd n SER 84 Cb 0.15 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1qjd n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qjd s HIS 86 N -0.31 1.85 -0.50 0.00 3.76 -0.41 -4.79 115.29 114.90 1qjd s HIS 86 Ca 0.00 -0.84 0.08 0.00 -0.15 0.00 0.00 55.06 54.14 1qjd s HIS 86 Cb 0.00 -1.12 0.29 0.00 1.11 0.00 0.00 32.58 32.87 1qjd s HIS 86 CO 0.00 0.11 0.73 0.43 -0.85 0.00 0.00 174.74 175.15 1qjd n SER 87 N -0.57 2.27 -4.77 1.40 7.64 -1.26 -4.08 113.62 114.25 1qjd n SER 87 Ca -0.04 -3.20 -0.33 0.00 1.01 0.00 0.00 58.87 56.31 1qjd n SER 87 Cb 0.65 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1qjd n SER 87 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1qjd s PHE 88 N -2.35 2.60 -1.02 1.43 0.08 -1.26 -4.96 117.98 112.50 1qjd s PHE 88 Ca 0.41 1.55 -0.23 0.00 0.12 0.00 0.00 56.93 58.78 1qjd s PHE 88 Cb 0.23 -3.19 0.04 0.00 -0.57 0.00 0.00 43.02 39.53 1qjd s PHE 88 CO -0.08 -1.72 1.54 0.34 -0.10 0.00 0.00 175.22 175.19 1qjd s ASP 89 N -2.52 6.31 0.17 1.36 2.15 -1.26 -4.98 116.67 117.91 1qjd s ASP 89 Ca 0.68 -1.39 0.06 0.00 0.43 0.00 0.00 52.55 52.33 1qjd s ASP 89 Cb -0.21 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 1qjd s ASP 89 CO 0.41 -1.68 0.05 -0.36 -0.17 0.00 0.00 175.17 173.42 1qjd s PHE 90 N 5.72 2.95 -0.42 -5.34 0.08 -1.26 -5.06 117.98 114.65 1qjd s PHE 90 Ca 0.50 -0.09 0.10 0.00 0.12 0.00 0.00 56.93 57.56 1qjd s PHE 90 Cb -0.01 -1.42 0.35 0.00 -0.57 0.00 0.00 43.02 41.37 1qjd s PHE 90 CO -0.08 0.52 0.79 -1.71 -0.10 0.00 0.00 175.22 174.65 1qjd n ASN 91 N -0.22 1.77 -4.72 1.36 4.05 -1.26 -5.09 115.26 111.14 1qjd n ASN 91 Ca -0.09 -3.17 -0.42 0.00 0.45 0.00 0.00 54.58 51.35 1qjd n ASN 91 Cb 0.55 -0.60 -0.03 0.00 1.23 0.00 0.00 39.78 40.93 1qjd n ASN 91 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1qjd s MET 92 N -2.71 4.41 0.42 1.20 -2.45 -1.26 -4.97 119.30 113.94 1qjd s MET 92 Ca 0.42 1.91 -0.27 0.00 -1.25 0.00 0.00 55.69 56.50 1qjd s MET 92 Cb 0.34 -3.28 -0.10 0.00 1.25 0.00 0.00 34.83 33.04 1qjd s MET 92 CO -0.09 -0.27 1.47 -2.14 1.05 0.00 0.00 175.02 175.04 1qjd s PRO 93 N 0.66 3.88 -1.46 4.11 0.02 -1.26 -2.84 135.00 138.12 1qjd s PRO 93 Ca 0.59 2.53 -0.08 0.00 0.02 0.00 0.00 61.00 64.05 1qjd s PRO 93 Cb -0.33 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.41 1qjd s PRO 93 CO 0.32 -0.70 0.86 0.66 -0.33 0.00 0.00 177.00 177.81 1qjd n TYR 94 N 0.12 -2.33 -2.84 6.54 4.01 -1.26 -4.88 117.16 116.52 1qjd n TYR 94 Ca 0.03 0.75 -0.29 0.00 -0.16 0.00 0.00 57.90 58.23 1qjd n TYR 94 Cb 0.40 -4.45 -0.02 0.00 -0.31 0.00 0.00 39.34 34.96 1qjd n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qjd s ALA 95 N -3.22 3.39 0.17 -0.72 0.00 -1.13 -1.36 121.76 118.88 1qjd s ALA 95 Ca 0.47 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.16 1qjd s ALA 95 Cb -0.22 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1qjd s ALA 95 CO 0.58 -0.07 -0.06 -1.59 0.00 0.00 0.00 175.76 174.62 1qjd s LYS 96 N -4.05 1.12 0.38 0.00 -2.85 0.54 -4.74 119.74 110.14 1qjd s LYS 96 Ca 0.50 -1.51 -0.26 0.00 -1.00 0.00 0.00 55.97 53.70 1qjd s LYS 96 Cb -0.10 -0.54 -0.11 0.00 -2.06 0.00 0.00 37.83 35.02 1qjd s LYS 96 CO 0.35 -0.00 1.14 1.17 0.10 0.00 0.00 175.35 178.11 1qjd n LYS 97 N -0.24 1.68 -1.76 1.78 4.81 -1.26 -4.38 118.16 118.79 1qjd n LYS 97 Ca -0.09 0.60 -0.42 0.00 -0.87 0.00 0.00 58.31 57.53 1qjd n LYS 97 Cb 0.62 -2.17 -0.03 0.00 0.02 0.00 0.00 35.03 33.47 1qjd n LYS 97 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1qjd s TRP 98 N -1.18 2.86 -0.26 5.64 -0.11 -1.26 -4.87 118.94 119.76 1qjd s TRP 98 Ca 0.60 0.51 -0.09 0.00 1.22 0.00 0.00 56.10 58.34 1qjd s TRP 98 Cb -0.57 -4.10 0.11 0.00 -1.50 0.00 0.00 33.47 27.41 1qjd s TRP 98 CO 0.59 -4.03 0.56 -1.17 -4.62 0.00 0.00 176.95 168.28 1qjd s LEU 99 N 0.61 -0.91 -0.30 5.86 1.98 -1.26 -5.07 118.68 119.59 1qjd s LEU 99 Ca 0.71 1.33 -0.10 0.00 -2.89 0.00 0.00 54.13 53.17 1qjd s LEU 99 Cb -0.49 1.92 -0.02 0.00 0.66 0.00 0.00 46.19 48.26 1qjd s LEU 99 CO 0.37 -0.22 0.17 -0.60 -1.89 0.00 0.00 176.35 174.18 1qjd s ARG 100 N 2.66 3.56 -0.40 1.98 6.06 -1.26 -4.98 118.95 126.56 1qjd s ARG 100 Ca -0.05 -0.58 0.09 0.00 -2.50 0.00 0.00 55.73 52.69 1qjd s ARG 100 Cb -0.11 -3.62 0.28 0.00 0.06 0.00 0.00 34.95 31.56 1qjd s ARG 100 CO -0.16 -0.34 0.64 -3.47 -2.50 0.00 0.00 175.30 169.47 1qjd n ASP 101 N 5.02 -0.13 -4.71 -2.12 -0.08 -1.26 -5.10 116.55 108.18 1qjd n ASP 101 Ca -0.14 -2.89 -0.42 0.00 -1.51 0.00 0.00 54.79 49.83 1qjd n ASP 101 Cb 0.50 -0.23 -0.03 0.00 2.34 0.00 0.00 41.12 43.70 1qjd n ASP 101 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1qjd s GLU 102 N -1.22 4.27 0.52 -0.67 2.12 -1.26 -5.00 118.70 117.46 1qjd s GLU 102 Ca 0.35 2.15 -0.22 0.00 0.36 0.00 0.00 54.97 57.62 1qjd s GLU 102 Cb 0.23 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 1qjd s GLU 102 CO -0.12 -0.55 1.30 -1.25 -0.54 0.00 0.00 175.26 174.11 1qjd s PRO 103 N 1.63 3.31 0.76 4.30 0.04 -1.26 -5.01 135.00 138.77 1qjd s PRO 103 Ca 0.67 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.70 1qjd s PRO 103 Cb -0.38 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 31.91 1qjd s PRO 103 CO 0.30 -1.01 1.08 0.95 0.04 0.00 0.00 177.00 178.36 1qjd s THR 104 N -1.37 3.46 0.32 1.26 -4.23 -1.26 -4.88 115.64 108.94 1qjd s THR 104 Ca 0.69 0.48 0.03 0.00 -1.18 0.00 0.00 61.69 61.71 1qjd s THR 104 Cb -0.37 -3.19 0.29 0.00 1.34 0.00 0.00 72.50 70.57 1qjd s THR 104 CO 0.44 -0.62 1.90 0.40 -0.54 0.00 0.00 174.62 176.19 1qjd h ILE 105 N -0.96 0.99 -0.57 2.99 1.08 -1.95 -1.43 117.51 117.68 1qjd h ILE 105 Ca -0.46 -0.32 -0.10 0.00 -0.39 0.00 0.00 64.86 63.60 1qjd h ILE 105 Cb 1.24 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1qjd h ILE 105 CO 0.58 0.17 -0.02 0.00 -0.69 0.00 0.00 178.15 178.19 1qjd h ALA 106 N 1.54 0.76 0.00 1.87 0.00 -1.99 -2.48 119.26 118.96 1qjd h ALA 106 Ca 0.41 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1qjd h ALA 106 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qjd h ALA 106 CO -0.17 0.61 -0.14 0.93 0.00 0.00 0.00 179.25 180.48 1qjd h GLU 107 N 0.90 0.00 0.00 0.00 5.08 -1.65 -2.11 114.58 116.79 1qjd h GLU 107 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1qjd h GLU 107 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1qjd h GLU 107 CO 0.03 0.14 0.00 1.28 -1.00 0.00 0.00 179.01 179.46 1qjd n LEU 108 N -3.67 0.00 0.00 1.33 4.77 -0.71 -1.33 117.00 117.39 1qjd n LEU 108 Ca -0.02 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1qjd n LEU 108 Cb 0.26 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.66 1qjd n LEU 108 CO 0.31 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 177.04 1qjd n ALA 109 N -0.93 1.71 1.59 -1.18 0.00 -0.80 -2.23 120.51 118.66 1qjd n ALA 109 Ca 0.14 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1qjd n ALA 109 Cb 0.07 -1.21 0.28 0.00 0.00 0.00 0.00 19.45 18.59 1qjd n ALA 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qjd n LYS 110 N -1.35 0.80 -1.82 0.00 4.01 -0.44 -3.55 118.16 115.81 1qjd n LYS 110 Ca 0.05 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.74 1qjd n LYS 110 Cb 0.12 -1.19 0.07 0.00 -0.51 0.00 0.00 35.03 33.52 1qjd n LYS 110 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1qjd n ASP 111 N -0.69 3.38 -0.26 4.39 8.00 -0.95 -4.90 116.55 125.52 1qjd n ASP 111 Ca 0.07 -3.36 0.05 0.00 0.71 0.00 0.00 54.79 52.26 1qjd n ASP 111 Cb 0.03 -0.40 0.19 0.00 -0.02 0.00 0.00 41.12 40.92 1qjd n ASP 111 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1qjd h LYS 112 N 1.92 0.46 -0.63 -1.24 3.11 -1.79 0.26 116.57 118.65 1qjd h LYS 112 Ca 0.16 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1qjd h LYS 112 Cb 1.40 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 1qjd h LYS 112 CO 0.45 0.30 0.00 -1.13 -2.81 0.00 0.00 179.45 176.26 1qjd n SER 113 N -4.98 -1.57 0.00 4.20 3.41 -1.26 0.18 113.62 113.60 1qjd n SER 113 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1qjd n SER 113 Cb 0.41 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1qjd n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qjd n GLU 114 N -0.64 0.00 -0.02 4.33 1.02 -1.06 -4.96 120.64 119.31 1qjd n GLU 114 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1qjd n GLU 114 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.83 1qjd n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qjd h ARG 115 N 0.00 0.77 -0.31 3.49 3.08 -0.27 -2.16 114.38 118.98 1qjd h ARG 115 Ca 0.00 -0.62 -0.08 0.00 0.07 0.00 0.00 59.98 59.36 1qjd h ARG 115 Cb 0.00 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1qjd h ARG 115 CO 0.00 1.23 -0.13 1.96 -1.07 0.00 0.00 179.97 181.96 1qjd h GLN 116 N 0.53 0.53 -0.21 0.04 4.20 0.17 -1.32 115.11 119.05 1qjd h GLN 116 Ca -0.05 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.38 1qjd h GLN 116 Cb 1.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1qjd h GLN 116 CO 0.16 0.65 -0.39 0.00 -0.67 0.00 0.00 178.83 178.58 1qjd h ALA 117 N 1.38 0.95 -0.35 3.87 0.00 -1.76 -1.58 119.26 121.77 1qjd h ALA 117 Ca 0.09 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1qjd h ALA 117 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1qjd h ALA 117 CO 0.03 0.62 -0.27 0.00 0.00 0.00 0.00 179.25 179.63 1qjd h ALA 118 N 1.19 0.50 0.00 0.00 0.00 -0.81 -2.77 119.26 117.37 1qjd h ALA 118 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1qjd h ALA 118 Cb 0.85 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1qjd h ALA 118 CO 0.07 0.51 -0.06 -0.07 0.00 0.00 0.00 179.25 179.71 1qjd h LEU 119 N 0.58 0.00 -0.06 0.00 -0.00 -1.11 -0.88 115.31 113.83 1qjd h LEU 119 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1qjd h LEU 119 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1qjd h LEU 119 CO 0.07 0.06 0.00 0.00 -0.00 0.00 0.00 178.44 178.57 1qjd n ALA 120 N -2.12 2.23 -2.05 1.53 0.00 -0.61 -4.85 120.51 114.64 1qjd n ALA 120 Ca 0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1qjd n ALA 120 Cb 0.39 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1qjd n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qjd s SER 121 N -4.56 5.40 0.72 0.00 0.01 -0.34 -5.05 113.70 109.88 1qjd s SER 121 Ca 0.10 0.61 -0.16 0.00 1.31 0.00 0.00 55.95 57.82 1qjd s SER 121 Cb 0.12 -1.53 0.03 0.00 0.21 0.00 0.00 66.02 64.86 1qjd s SER 121 CO 0.58 -1.19 1.26 0.00 0.41 0.00 0.00 173.24 174.30 1qjd n ALA 122 N -2.65 0.62 -1.77 1.44 0.00 -1.26 -4.94 120.51 111.96 1qjd n ALA 122 Ca 0.05 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1qjd n ALA 122 Cb 0.58 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1qjd n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qjd s PRO 123 N -3.73 4.33 0.39 0.00 0.04 -1.26 -4.81 135.00 129.97 1qjd s PRO 123 Ca 0.79 2.01 0.16 0.00 0.04 0.00 0.00 61.00 64.00 1qjd s PRO 123 Cb -0.34 -2.99 0.81 0.00 0.04 0.00 0.00 34.50 32.02 1qjd s PRO 123 CO 0.45 -0.13 1.83 1.25 0.04 0.00 0.00 177.00 180.44 1qjd h HIS 124 N 3.27 0.00 -3.50 0.56 2.76 -1.35 -3.44 115.15 113.45 1qjd h HIS 124 Ca -0.48 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.53 1qjd h HIS 124 Cb 1.23 0.00 -0.22 0.00 1.55 0.00 0.00 27.41 29.97 1qjd h HIS 124 CO 0.56 0.35 -0.51 -0.51 -1.30 0.00 0.00 177.93 176.52 1qjd s ASP 125 N -6.68 -0.00 -0.23 3.26 1.11 -1.26 -5.08 116.67 107.80 1qjd s ASP 125 Ca -0.02 -0.12 -0.00 0.00 0.18 0.00 0.00 52.55 52.58 1qjd s ASP 125 Cb 0.13 0.22 0.06 0.00 1.07 0.00 0.00 42.92 44.41 1qjd s ASP 125 CO 0.70 -0.31 -0.02 -0.89 1.18 0.00 0.00 175.17 175.83 1qjd s THR 126 N -1.12 1.21 0.10 -1.27 2.01 -1.26 -0.64 115.64 114.67 1qjd s THR 126 Ca -0.12 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.84 1qjd s THR 126 Cb -0.07 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1qjd s THR 126 CO 0.01 -0.17 0.05 1.33 -0.69 0.00 0.00 174.62 175.15 1qjd n VAL 127 N 4.79 0.00 -0.04 3.82 0.24 -0.35 -4.99 118.33 121.79 1qjd n VAL 127 Ca -0.10 -0.63 -0.21 0.00 -2.04 0.00 0.00 64.34 61.35 1qjd n VAL 127 Cb 0.45 0.25 -0.13 0.00 -1.47 0.00 0.00 33.84 32.94 1qjd n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1qjd n ASP 128 N -2.15 2.05 -3.81 -1.34 8.00 -0.20 -3.97 116.55 115.12 1qjd n ASP 128 Ca -0.00 0.19 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1qjd n ASP 128 Cb 0.16 -0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 40.32 1qjd n ASP 128 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qjd s VAL 129 N -2.52 -0.03 -0.15 2.53 1.01 -0.85 -1.94 120.40 118.46 1qjd s VAL 129 Ca -0.27 0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1qjd s VAL 129 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.35 1qjd s VAL 129 CO 0.69 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 175.00 1qjd s VAL 130 N 0.55 2.79 -0.15 2.92 1.01 -0.56 -2.02 120.40 124.93 1qjd s VAL 130 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1qjd s VAL 130 Cb -0.06 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1qjd s VAL 130 CO -0.02 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 1qjd s VAL 131 N 0.65 3.80 -0.28 2.92 1.01 -0.04 -0.95 120.40 127.51 1qjd s VAL 131 Ca -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1qjd s VAL 131 Cb -0.16 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1qjd s VAL 131 CO 0.02 0.50 0.08 -0.69 0.00 0.00 0.00 175.10 175.01 1qjd s VAL 132 N 0.34 4.12 0.00 2.92 1.01 -0.12 -1.46 120.40 127.21 1qjd s VAL 132 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1qjd s VAL 132 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1qjd s VAL 132 CO 0.03 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1qjd n GLY 133 N 4.90 2.69 2.26 4.51 0.00 0.12 -0.36 105.19 119.31 1qjd n GLY 133 Ca -0.15 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1qjd n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qjd n SER 134 N 0.00 6.98 -1.58 1.61 3.41 -1.25 -3.95 113.62 118.83 1qjd n SER 134 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1qjd n SER 134 Cb 0.00 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1qjd n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qjd n GLY 135 N -0.90 0.56 0.26 5.00 0.00 -1.26 -0.71 105.19 108.13 1qjd n GLY 135 Ca 0.59 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1qjd n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qjd h GLY 136 N 0.00 0.78 0.98 -0.02 0.00 -1.93 -2.22 103.07 100.67 1qjd h GLY 136 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1qjd h GLY 136 CO 0.00 0.59 0.16 0.00 0.00 0.00 0.00 176.54 177.30 1qjd h ALA 137 N 1.13 0.67 -0.05 3.60 0.00 -1.89 -1.86 119.26 120.86 1qjd h ALA 137 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1qjd h ALA 137 Cb 0.70 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qjd h ALA 137 CO 0.05 0.33 -0.05 0.78 0.00 0.00 0.00 179.25 180.37 1qjd h GLY 138 N 0.70 0.14 1.00 0.00 0.00 -1.66 -0.41 103.07 102.85 1qjd h GLY 138 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1qjd h GLY 138 CO -0.01 0.13 0.36 0.74 0.00 0.00 0.00 176.54 177.76 1qjd h PHE 139 N -0.31 0.91 -0.56 5.60 0.04 -1.46 -0.01 116.94 121.15 1qjd h PHE 139 Ca 0.01 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.81 1qjd h PHE 139 Cb 0.54 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 1qjd h PHE 139 CO 0.09 0.65 0.29 0.77 -0.60 0.00 0.00 178.31 179.51 1qjd h SER 140 N 0.91 0.41 -0.40 2.17 0.02 -1.21 -0.41 113.55 115.04 1qjd h SER 140 Ca 0.23 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 1qjd h SER 140 Cb 0.05 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1qjd h SER 140 CO -0.04 0.28 0.05 0.00 -1.14 0.00 0.00 176.83 175.98 1qjd h ALA 141 N 1.30 0.53 -0.46 3.77 0.00 -0.83 -0.58 119.26 123.00 1qjd h ALA 141 Ca 0.25 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1qjd h ALA 141 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1qjd h ALA 141 CO -0.17 0.26 0.26 0.00 0.00 0.00 0.00 179.25 179.60 1qjd h ALA 142 N 0.91 0.59 -0.31 0.00 0.00 -0.58 0.44 119.26 120.31 1qjd h ALA 142 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1qjd h ALA 142 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qjd h ALA 142 CO 0.01 -0.06 0.00 0.82 0.00 0.00 0.00 179.25 180.02 1qjd h ILE 143 N 0.52 1.26 -0.42 0.00 2.04 -1.01 -1.88 117.51 118.02 1qjd h ILE 143 Ca 0.19 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1qjd h ILE 143 Cb 0.05 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1qjd h ILE 143 CO -0.10 0.30 0.25 -1.28 0.00 0.00 0.00 178.15 177.32 1qjd h SER 144 N 0.34 0.50 -0.60 1.72 0.87 -0.88 0.97 113.55 116.47 1qjd h SER 144 Ca 0.09 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1qjd h SER 144 Cb 0.43 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1qjd h SER 144 CO 0.02 0.40 -0.01 0.00 -0.53 0.00 0.00 176.83 176.71 1qjd h ALA 145 N 1.12 0.81 -0.50 6.23 0.00 -0.91 -1.89 119.26 124.12 1qjd h ALA 145 Ca 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1qjd h ALA 145 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1qjd h ALA 145 CO -0.03 0.66 0.23 1.15 0.00 0.00 0.00 179.25 181.26 1qjd h THR 146 N 0.96 1.20 0.00 0.00 2.02 -0.95 -0.31 112.91 115.84 1qjd h THR 146 Ca 0.17 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1qjd h THR 146 Cb 0.57 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1qjd h THR 146 CO 0.03 0.22 0.00 0.44 0.37 0.00 0.00 175.52 176.58 1qjd h ASP 147 N 0.66 0.00 -0.44 4.18 3.32 -0.54 -1.88 116.42 121.72 1qjd h ASP 147 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1qjd h ASP 147 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1qjd h ASP 147 CO -0.02 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.30 1qjd n SER 148 N -2.83 3.53 0.00 6.45 7.64 -0.41 -4.90 113.62 123.11 1qjd n SER 148 Ca -0.00 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1qjd n SER 148 Cb 0.21 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1qjd n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qjd n GLY 149 N 0.83 0.77 3.90 0.23 0.00 -0.71 -4.88 105.19 105.34 1qjd n GLY 149 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1qjd n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjd s ALA 150 N -2.23 3.88 -0.18 4.61 0.00 -0.26 -5.01 121.76 122.57 1qjd s ALA 150 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 1qjd s ALA 150 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1qjd s ALA 150 CO 0.00 0.72 0.67 0.21 0.00 0.00 0.00 175.76 177.36 1qjd s LYS 151 N -2.33 4.25 0.14 0.00 2.47 -1.26 -4.09 119.74 118.93 1qjd s LYS 151 Ca 0.35 0.71 0.11 0.00 -1.56 0.00 0.00 55.97 55.58 1qjd s LYS 151 Cb -0.13 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 1qjd s LYS 151 CO 0.23 -0.21 -0.26 0.08 0.16 0.00 0.00 175.35 175.34 1qjd s VAL 152 N 1.80 2.25 -0.10 4.02 1.01 -1.26 -1.03 120.40 127.09 1qjd s VAL 152 Ca 0.31 -1.79 0.03 0.00 0.00 0.00 0.00 61.98 60.54 1qjd s VAL 152 Cb -0.16 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1qjd s VAL 152 CO 0.11 0.05 -0.21 -0.63 0.00 0.00 0.00 175.10 174.43 1qjd s ILE 153 N -1.15 1.86 -0.19 2.22 1.01 -0.86 -4.12 121.20 119.97 1qjd s ILE 153 Ca 0.15 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1qjd s ILE 153 Cb -0.10 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1qjd s ILE 153 CO 0.06 0.51 0.02 -0.22 0.00 0.00 0.00 174.94 175.32 1qjd s LEU 154 N 0.53 3.46 0.11 2.97 2.96 -0.26 -0.86 118.68 127.58 1qjd s LEU 154 Ca -0.15 -0.10 0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1qjd s LEU 154 Cb -0.17 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1qjd s LEU 154 CO 0.05 0.11 -0.25 0.27 -1.32 0.00 0.00 176.35 175.22 1qjd s ILE 155 N 0.74 2.05 -0.04 6.68 -4.36 -0.54 0.01 121.20 125.74 1qjd s ILE 155 Ca 0.01 -1.62 -0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1qjd s ILE 155 Cb -0.14 -1.82 0.03 0.00 1.25 0.00 0.00 42.46 41.78 1qjd s ILE 155 CO 0.02 0.09 0.00 -0.70 0.24 0.00 0.00 174.94 174.59 1qjd s GLU 156 N -1.86 0.38 0.16 0.37 2.56 -0.46 0.11 118.70 119.97 1qjd s GLU 156 Ca 0.11 0.10 0.04 0.00 0.00 0.00 0.00 54.97 55.22 1qjd s GLU 156 Cb -0.10 -0.64 -0.02 0.00 2.00 0.00 0.00 34.13 35.38 1qjd s GLU 156 CO 0.05 -0.19 1.37 1.57 -0.56 0.00 0.00 175.26 177.50 1qjd h LYS 157 N 7.63 0.15 -7.44 4.30 2.10 -1.80 0.11 116.57 121.62 1qjd h LYS 157 Ca -0.33 -0.18 -0.48 0.00 -2.00 0.00 0.00 60.65 57.66 1qjd h LYS 157 Cb 1.13 0.05 0.11 0.00 -0.90 0.00 0.00 32.23 32.62 1qjd h LYS 157 CO 0.39 0.94 0.34 -1.21 -2.00 0.00 0.00 179.45 177.91 1qjd s GLU 158 N -3.15 2.02 0.45 0.07 0.41 -1.26 -3.91 118.70 113.33 1qjd s GLU 158 Ca -0.02 0.53 0.30 0.00 -0.41 0.00 0.00 54.97 55.37 1qjd s GLU 158 Cb 0.10 -1.92 1.24 0.00 -1.78 0.00 0.00 34.13 31.77 1qjd s GLU 158 CO 0.82 -1.64 1.89 -1.00 -0.49 0.00 0.00 175.26 174.84 1qjd h PRO 159 N -1.10 0.00 -5.70 0.39 0.13 -1.94 -2.65 132.00 121.13 1qjd h PRO 159 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 1qjd h PRO 159 Cb 1.28 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1qjd h PRO 159 CO 0.61 0.00 -0.75 0.14 -0.23 0.00 0.00 178.00 177.77 1qjd s VAL 160 N -3.55 1.82 0.80 1.56 -7.23 -1.26 -4.70 120.40 107.84 1qjd s VAL 160 Ca 0.02 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.92 1qjd s VAL 160 Cb 0.09 -2.02 0.09 0.00 0.56 0.00 0.00 36.38 35.10 1qjd s VAL 160 CO 0.49 -0.52 1.15 0.27 -0.31 0.00 0.00 175.10 176.18 1qjd s ILE 161 N -2.72 2.08 0.00 -0.62 -4.36 -1.26 -4.67 121.20 109.65 1qjd s ILE 161 Ca 0.22 -0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.52 1qjd s ILE 161 Cb -0.02 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.70 1qjd s ILE 161 CO 0.07 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1qjd n GLY 162 N -3.26 3.46 7.00 6.27 0.00 0.11 -4.90 105.19 113.87 1qjd n GLY 162 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1qjd n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjd n GLY 163 N -1.88 2.55 0.20 -0.02 0.00 -1.26 -0.88 105.19 103.89 1qjd n GLY 163 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1qjd n GLY 163 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qjd h ASN 164 N 3.69 0.00 -0.15 1.61 2.35 -1.96 -3.34 115.58 117.78 1qjd h ASN 164 Ca 0.00 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1qjd h ASN 164 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1qjd h ASN 164 CO 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 177.43 175.81 1qjd h ALA 165 N 2.03 1.62 0.00 -0.83 0.00 -1.41 -0.34 119.26 120.33 1qjd h ALA 165 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qjd h ALA 165 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1qjd h ALA 165 CO 0.00 0.29 0.00 0.36 0.00 0.00 0.00 179.25 179.90 1qjd n LYS 166 N -4.38 0.11 0.00 0.00 2.85 -0.62 -2.26 118.16 113.86 1qjd n LYS 166 Ca 0.00 0.46 0.11 0.00 -1.05 0.00 0.00 58.31 57.84 1qjd n LYS 166 Cb 0.17 -1.76 0.12 0.00 -0.65 0.00 0.00 35.03 32.92 1qjd n LYS 166 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1qjd n LEU 167 N -1.97 1.06 -4.77 -5.58 4.77 -0.14 -2.09 117.00 108.29 1qjd n LEU 167 Ca 0.01 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.24 1qjd n LEU 167 Cb 0.12 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1qjd n LEU 167 CO 0.12 0.23 1.07 0.00 -1.33 0.00 0.00 177.39 177.47 1qjd s ALA 168 N -2.79 3.33 0.03 -1.18 0.00 -0.96 -4.85 121.76 115.35 1qjd s ALA 168 Ca 0.15 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 1qjd s ALA 168 Cb 0.18 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 1qjd s ALA 168 CO 0.68 -1.09 -0.00 0.00 0.00 0.00 0.00 175.76 175.35 1qjd n ALA 169 N 0.04 2.99 0.08 0.00 0.00 -1.26 -0.75 120.51 121.60 1qjd n ALA 169 Ca 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1qjd n ALA 169 Cb 0.41 0.08 0.57 0.00 0.00 0.00 0.00 19.45 20.51 1qjd n ALA 169 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qjd h GLY 170 N -0.00 0.25 0.00 0.00 0.00 -1.93 -1.74 103.07 99.65 1qjd h GLY 170 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1qjd h GLY 170 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.22 1qjd n GLY 171 N -1.54 0.91 3.20 4.60 0.00 -1.26 -4.67 105.19 106.43 1qjd n GLY 171 Ca 0.03 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1qjd n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qjd s MET 172 N -1.25 2.67 0.28 1.61 1.75 0.32 -4.23 119.30 120.45 1qjd s MET 172 Ca 0.00 -1.10 -0.29 0.00 -1.25 0.00 0.00 55.69 53.04 1qjd s MET 172 Cb 0.00 -3.10 -0.10 0.00 2.84 0.00 0.00 34.83 34.47 1qjd s MET 172 CO 0.00 -0.50 1.10 -0.80 -0.65 0.00 0.00 175.02 174.17 1qjd s ASN 173 N 1.30 7.26 -0.02 1.11 0.01 -0.14 -1.29 114.94 123.18 1qjd s ASN 173 Ca -0.02 2.28 -0.29 0.00 -0.71 0.00 0.00 52.86 54.11 1qjd s ASN 173 Cb -0.18 -2.63 0.08 0.00 0.41 0.00 0.00 41.25 38.93 1qjd s ASN 173 CO -0.02 -0.15 0.70 0.00 -1.51 0.00 0.00 177.10 176.12 1qjd s ALA 174 N -1.15 -1.76 -0.06 0.60 0.00 -1.02 -4.67 121.76 113.71 1qjd s ALA 174 Ca 0.45 1.17 -0.08 0.00 0.00 0.00 0.00 51.96 53.50 1qjd s ALA 174 Cb -0.32 0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1qjd s ALA 174 CO 0.41 -0.45 0.21 0.00 0.00 0.00 0.00 175.76 175.93 1qjd s ALA 175 N -1.76 -0.51 -0.44 0.00 0.00 -1.26 -4.64 121.76 113.15 1qjd s ALA 175 Ca -0.07 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1qjd s ALA 175 Cb -0.00 -0.21 0.11 0.00 0.00 0.00 0.00 23.12 23.02 1qjd s ALA 175 CO 0.04 -0.14 0.27 -0.46 0.00 0.00 0.00 175.76 175.47 1qjd s TRP 176 N -0.38 3.48 0.49 0.00 -0.00 -1.26 -4.04 118.94 117.23 1qjd s TRP 176 Ca -0.05 -2.06 -0.05 0.00 -0.00 0.00 0.00 56.10 53.94 1qjd s TRP 176 Cb -0.03 -3.31 -0.03 0.00 -0.00 0.00 0.00 33.47 30.10 1qjd s TRP 176 CO 0.01 -0.97 0.79 0.95 -0.00 0.00 0.00 176.95 177.73 1qjd s THR 177 N 1.27 4.73 0.35 5.86 -4.23 -1.26 -4.95 115.64 117.41 1qjd s THR 177 Ca 0.06 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.74 1qjd s THR 177 Cb -0.24 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.08 1qjd s THR 177 CO -0.02 -0.78 1.96 0.44 -0.54 0.00 0.00 174.62 175.68 1qjd h ASP 178 N 0.20 0.73 -0.67 3.99 3.32 -1.99 -1.90 116.42 120.10 1qjd h ASP 178 Ca -0.47 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1qjd h ASP 178 Cb 1.21 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1qjd h ASP 178 CO 0.61 0.48 0.25 1.56 -1.72 0.00 0.00 179.24 180.43 1qjd h GLN 179 N 0.84 1.04 -0.41 3.56 7.50 -1.92 -0.65 115.11 125.08 1qjd h GLN 179 Ca 0.31 -0.19 -0.08 0.00 0.50 0.00 0.00 58.65 59.19 1qjd h GLN 179 Cb 0.18 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1qjd h GLN 179 CO -0.10 0.87 -0.05 1.96 -1.50 0.00 0.00 178.83 180.01 1qjd h GLN 180 N 1.02 0.75 -0.66 1.46 4.20 -1.69 -2.84 115.11 117.35 1qjd h GLN 180 Ca 0.23 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1qjd h GLN 180 Cb 0.24 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1qjd h GLN 180 CO -0.01 0.86 0.38 0.87 -0.67 0.00 0.00 178.83 180.26 1qjd h LYS 181 N 0.57 0.71 0.00 1.46 1.57 -1.19 0.28 116.57 119.96 1qjd h LYS 181 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1qjd h LYS 181 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1qjd h LYS 181 CO 0.03 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 1qjd h ALA 182 N 1.32 1.00 -0.50 3.86 0.00 -0.98 -0.28 119.26 123.68 1qjd h ALA 182 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qjd h ALA 182 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qjd h ALA 182 CO -0.15 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.73 1qjd n LYS 183 N -2.97 3.36 -2.56 0.00 4.76 0.82 -4.94 118.16 116.62 1qjd n LYS 183 Ca -0.02 -2.68 -0.17 0.00 -2.87 0.00 0.00 58.31 52.57 1qjd n LYS 183 Cb 0.12 -1.73 0.01 0.00 -1.84 0.00 0.00 35.03 31.58 1qjd n LYS 183 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qjd n LYS 184 N 0.64 -2.49 -4.22 1.97 5.02 -0.12 -4.99 118.16 113.98 1qjd n LYS 184 Ca 0.22 0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 56.90 1qjd n LYS 184 Cb 0.78 -5.17 -0.09 0.00 -0.02 0.00 0.00 35.03 30.54 1qjd n LYS 184 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qjd s ILE 185 N -2.92 4.65 -0.22 -0.18 1.09 -0.22 -5.00 121.20 118.41 1qjd s ILE 185 Ca 0.11 -0.11 -0.06 0.00 -1.10 0.00 0.00 60.65 59.49 1qjd s ILE 185 Cb -0.05 -2.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.34 1qjd s ILE 185 CO 0.14 0.59 0.02 -0.89 -0.10 0.00 0.00 174.94 174.70 1qjd s THR 186 N -0.77 3.99 0.35 2.92 2.01 -1.26 -4.06 115.64 118.81 1qjd s THR 186 Ca 0.12 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1qjd s THR 186 Cb -0.12 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1qjd s THR 186 CO 0.03 0.40 0.48 -0.62 -0.69 0.00 0.00 174.62 174.21 1qjd s ASP 187 N 1.27 1.04 0.01 3.53 2.15 -1.26 -4.95 116.67 118.47 1qjd s ASP 187 Ca 0.04 -1.54 -0.24 0.00 0.43 0.00 0.00 52.55 51.24 1qjd s ASP 187 Cb -0.15 0.68 0.05 0.00 -0.30 0.00 0.00 42.92 43.20 1qjd s ASP 187 CO 0.01 -1.32 0.54 -0.94 -0.17 0.00 0.00 175.17 173.30 1qjd s SER 188 N -3.26 -0.48 0.45 -0.34 1.04 -1.26 -4.72 113.70 105.13 1qjd s SER 188 Ca 0.31 0.34 0.11 0.00 0.48 0.00 0.00 55.95 57.19 1qjd s SER 188 Cb -0.01 0.48 1.02 0.00 0.10 0.00 0.00 66.02 67.62 1qjd s SER 188 CO 0.22 -0.65 2.06 -0.65 0.98 0.00 0.00 173.24 175.20 1qjd h PRO 189 N 2.99 0.36 -0.59 4.02 0.11 -1.88 -1.09 132.00 135.92 1qjd h PRO 189 Ca -0.29 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 1qjd h PRO 189 Cb 1.19 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1qjd h PRO 189 CO 0.40 0.24 0.06 0.93 -0.21 0.00 0.00 178.00 179.41 1qjd h GLU 190 N 0.37 0.98 -0.42 1.05 3.07 -1.93 -1.50 114.58 116.20 1qjd h GLU 190 Ca 0.15 -0.27 -0.09 0.00 -0.50 0.00 0.00 59.36 58.65 1qjd h GLU 190 Cb 0.13 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1qjd h GLU 190 CO -0.03 0.93 -0.09 1.25 -1.40 0.00 0.00 179.01 179.67 1qjd h LEU 191 N 0.92 0.73 -0.49 1.33 5.85 -1.63 -1.23 115.31 120.78 1qjd h LEU 191 Ca 0.18 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1qjd h LEU 191 Cb 0.46 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1qjd h LEU 191 CO 0.02 0.86 0.01 -0.03 -0.34 0.00 0.00 178.44 178.96 1qjd h MET 192 N 0.68 0.87 -0.26 1.25 4.05 -0.98 0.63 114.93 121.17 1qjd h MET 192 Ca 0.12 -0.27 0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1qjd h MET 192 Cb 0.56 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.24 1qjd h MET 192 CO 0.03 0.90 0.03 0.35 0.23 0.00 0.00 176.91 178.45 1qjd h PHE 193 N 0.73 0.05 -0.40 1.39 3.04 -1.10 -0.60 116.94 120.05 1qjd h PHE 193 Ca 0.14 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.00 1qjd h PHE 193 Cb 0.50 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1qjd h PHE 193 CO 0.04 -0.00 -0.17 1.49 -2.02 0.00 0.00 178.31 177.65 1qjd h GLU 194 N 0.12 0.82 -0.89 1.11 4.81 -0.86 0.36 114.58 120.04 1qjd h GLU 194 Ca 0.12 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1qjd h GLU 194 Cb 0.14 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1qjd h GLU 194 CO -0.18 0.98 0.59 -0.44 -0.73 0.00 0.00 179.01 179.23 1qjd h ASP 195 N 0.63 1.00 -0.03 1.04 3.32 -0.74 -1.79 116.42 119.86 1qjd h ASP 195 Ca 0.09 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1qjd h ASP 195 Cb 0.72 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1qjd h ASP 195 CO 0.05 0.71 -0.05 0.74 -1.72 0.00 0.00 179.24 178.98 1qjd h THR 196 N 1.18 1.42 -0.69 0.35 2.02 -0.61 0.48 112.91 117.05 1qjd h THR 196 Ca 0.34 -1.31 0.04 0.00 0.77 0.00 0.00 66.41 66.25 1qjd h THR 196 Cb -0.08 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1qjd h THR 196 CO -0.08 0.35 0.42 0.24 0.37 0.00 0.00 175.52 176.82 1qjd h MET 197 N -0.43 0.78 -0.50 6.66 2.86 -0.88 -0.88 114.93 122.54 1qjd h MET 197 Ca 0.00 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1qjd h MET 197 Cb 0.59 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1qjd h MET 197 CO 0.01 0.51 -0.18 -0.22 1.06 0.00 0.00 176.91 178.09 1qjd h LYS 198 N 0.80 0.99 -0.40 1.72 3.64 -1.24 -0.05 116.57 122.03 1qjd h LYS 198 Ca 0.29 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1qjd h LYS 198 Cb 0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1qjd h LYS 198 CO -0.14 1.08 0.19 0.78 -2.27 0.00 0.00 179.45 179.09 1qjd h GLY 199 N 0.90 0.59 -2.01 5.01 0.00 -0.31 -1.35 103.07 105.90 1qjd h GLY 199 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1qjd h GLY 199 CO 0.06 0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.46 1qjd n GLY 200 N -1.27 1.73 2.39 4.60 0.00 -0.39 -4.19 105.19 108.07 1qjd n GLY 200 Ca 0.03 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1qjd n GLY 200 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qjd n GLN 201 N 0.46 -1.23 -2.46 1.61 6.02 -0.51 -2.01 117.38 119.26 1qjd n GLN 201 Ca 0.14 0.94 -0.18 0.00 -0.01 0.00 0.00 57.00 57.88 1qjd n GLN 201 Cb 0.59 -5.25 -0.01 0.00 1.02 0.00 0.00 30.24 26.60 1qjd n GLN 201 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1qjd n ASN 202 N -0.91 -5.27 0.01 1.08 3.02 -0.06 -4.85 115.26 108.28 1qjd n ASN 202 Ca -0.18 0.03 -0.03 0.00 -0.03 0.00 0.00 54.58 54.38 1qjd n ASN 202 Cb 0.60 -4.40 -0.10 0.00 -0.61 0.00 0.00 39.78 35.26 1qjd n ASN 202 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qjd n ILE 203 N -3.84 1.28 -1.65 2.41 2.08 -0.85 -4.96 119.36 113.83 1qjd n ILE 203 Ca -0.21 -0.72 -0.38 0.00 0.56 0.00 0.00 62.75 62.00 1qjd n ILE 203 Cb 0.66 -0.78 0.05 0.00 -0.75 0.00 0.00 39.64 38.82 1qjd n ILE 203 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1qjd n ASN 204 N -2.90 1.22 -4.61 4.38 5.03 -1.26 -4.75 115.26 112.37 1qjd n ASN 204 Ca -0.13 0.84 -0.43 0.00 0.87 0.00 0.00 54.58 55.73 1qjd n ASN 204 Cb 0.91 -1.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.21 1qjd n ASN 204 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1qjd s ASP 205 N -1.20 6.22 0.48 6.41 -1.08 0.13 -4.91 116.67 122.73 1qjd s ASP 205 Ca 0.76 1.11 0.18 0.00 -0.52 0.00 0.00 52.55 54.07 1qjd s ASP 205 Cb -0.42 -2.53 1.20 0.00 -1.46 0.00 0.00 42.92 39.70 1qjd s ASP 205 CO 0.47 -1.47 2.03 -0.65 0.52 0.00 0.00 175.17 176.07 1qjd h PRO 206 N 11.29 0.18 -0.15 4.34 0.11 -1.91 -0.52 132.00 145.34 1qjd h PRO 206 Ca -0.30 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 1qjd h PRO 206 Cb 1.13 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1qjd h PRO 206 CO 1.05 0.12 -0.43 0.00 -0.21 0.00 0.00 178.00 178.53 1qjd h ALA 207 N 1.79 0.99 -0.15 -0.75 0.00 -1.96 -0.22 119.26 118.96 1qjd h ALA 207 Ca 0.19 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 1qjd h ALA 207 Cb 0.52 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1qjd h ALA 207 CO -0.03 0.63 -0.66 -0.07 0.00 0.00 0.00 179.25 179.11 1qjd h LEU 208 N 0.28 0.84 -0.94 0.00 4.07 -1.49 -2.59 115.31 115.49 1qjd h LEU 208 Ca 0.02 -0.62 -0.09 0.00 0.08 0.00 0.00 57.88 57.27 1qjd h LEU 208 Cb 0.88 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1qjd h LEU 208 CO 0.07 1.33 -0.14 0.58 -1.08 0.00 0.00 178.44 179.19 1qjd h VAL 209 N 0.41 1.25 -0.70 1.22 2.07 -1.06 -1.10 116.25 118.34 1qjd h VAL 209 Ca -0.04 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.36 1qjd h VAL 209 Cb 1.30 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1qjd h VAL 209 CO 0.14 0.38 0.46 0.50 0.02 0.00 0.00 177.57 179.07 1qjd h LYS 210 N 0.56 0.86 -0.28 1.57 3.64 -0.96 0.83 116.57 122.80 1qjd h LYS 210 Ca 0.10 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1qjd h LYS 210 Cb 0.57 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1qjd h LYS 210 CO 0.04 0.57 -0.10 0.28 -2.27 0.00 0.00 179.45 177.97 1qjd h VAL 211 N 0.89 1.29 -0.27 2.00 2.07 -0.87 -0.15 116.25 121.21 1qjd h VAL 211 Ca 0.27 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.69 1qjd h VAL 211 Cb -0.01 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1qjd h VAL 211 CO -0.07 0.37 -0.15 0.25 0.02 0.00 0.00 177.57 177.99 1qjd h LEU 212 N 0.30 -0.48 0.03 2.57 5.85 -0.61 -0.82 115.31 122.15 1qjd h LEU 212 Ca 0.07 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1qjd h LEU 212 Cb 0.60 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1qjd h LEU 212 CO 0.03 -0.18 -0.02 0.77 -0.34 0.00 0.00 178.44 178.71 1qjd h SER 213 N -0.12 -0.04 0.45 1.25 4.64 -0.80 -2.93 113.55 116.00 1qjd h SER 213 Ca 0.14 -0.50 -0.05 0.00 -0.47 0.00 0.00 61.79 60.91 1qjd h SER 213 Cb 0.33 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1qjd h SER 213 CO -0.34 0.49 -0.24 0.77 -0.87 0.00 0.00 176.83 176.64 1qjd h SER 214 N -0.59 0.00 0.03 4.97 4.64 -1.02 -2.50 113.55 119.09 1qjd h SER 214 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qjd h SER 214 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1qjd h SER 214 CO 0.01 0.24 -0.15 1.41 -0.87 0.00 0.00 176.83 177.47 1qjd n HIS 215 N -3.82 0.00 -0.21 4.77 8.25 -0.32 -4.52 115.22 119.37 1qjd n HIS 215 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 1qjd n HIS 215 Cb 0.34 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.45 1qjd n HIS 215 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1qjd h SER 216 N 2.82 0.81 -0.40 0.41 4.64 -1.24 -1.39 113.55 119.19 1qjd h SER 216 Ca 0.00 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1qjd h SER 216 Cb 0.70 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1qjd h SER 216 CO 0.00 0.76 0.22 0.50 -0.87 0.00 0.00 176.83 177.44 1qjd h LYS 217 N 0.81 0.56 -0.84 4.77 3.64 -1.79 -1.91 116.57 121.81 1qjd h LYS 217 Ca 0.19 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1qjd h LYS 217 Cb 0.21 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1qjd h LYS 217 CO -0.02 0.45 0.55 -0.44 -2.27 0.00 0.00 179.45 177.72 1qjd h ASP 218 N 0.52 0.78 -0.51 4.20 3.32 -1.72 0.15 116.42 123.16 1qjd h ASP 218 Ca 0.14 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1qjd h ASP 218 Cb 0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1qjd h ASP 218 CO -0.02 0.48 -0.16 0.28 -1.72 0.00 0.00 179.24 178.10 1qjd h SER 219 N 0.87 1.02 -0.70 6.45 0.02 -0.67 0.25 113.55 120.81 1qjd h SER 219 Ca 0.37 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1qjd h SER 219 Cb 0.32 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1qjd h SER 219 CO -0.14 1.16 0.19 0.58 -1.14 0.00 0.00 176.83 177.47 1qjd h VAL 220 N 0.89 1.26 -0.58 2.27 2.07 -0.54 -1.91 116.25 119.71 1qjd h VAL 220 Ca 0.13 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1qjd h VAL 220 Cb 0.73 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1qjd h VAL 220 CO 0.06 0.36 0.14 0.44 0.02 0.00 0.00 177.57 178.58 1qjd h ASP 221 N 1.04 0.88 -0.28 0.57 3.32 -0.27 -0.92 116.42 120.75 1qjd h ASP 221 Ca 0.22 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1qjd h ASP 221 Cb 0.35 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1qjd h ASP 221 CO -0.00 0.89 0.12 -0.25 -1.72 0.00 0.00 179.24 178.27 1qjd h TRP 222 N 0.83 0.43 -0.67 4.55 7.01 -0.37 -0.29 115.95 127.43 1qjd h TRP 222 Ca 0.18 -0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.07 1qjd h TRP 222 Cb 0.35 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 1qjd h TRP 222 CO 0.02 0.42 0.12 0.52 -2.79 0.00 0.00 178.44 176.74 1qjd h MET 223 N 0.31 1.10 -0.31 2.65 2.86 -1.25 -2.13 114.93 118.15 1qjd h MET 223 Ca 0.09 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1qjd h MET 223 Cb 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1qjd h MET 223 CO -0.01 1.00 0.18 1.15 1.06 0.00 0.00 176.91 180.29 1qjd h THR 224 N 1.02 1.12 -0.09 2.22 2.02 -0.93 -0.60 112.91 117.68 1qjd h THR 224 Ca 0.21 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1qjd h THR 224 Cb 0.42 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1qjd h THR 224 CO 0.01 0.12 0.07 0.00 0.37 0.00 0.00 175.52 176.10 1qjd h ALA 225 N 1.06 1.89 -0.01 6.16 0.00 -0.78 0.31 119.26 127.89 1qjd h ALA 225 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qjd h ALA 225 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qjd h ALA 225 CO -0.02 -0.12 -0.00 -1.33 0.00 0.00 0.00 179.25 177.78 1qjd n MET 226 N -4.21 1.24 0.00 0.00 2.81 -0.58 -4.87 117.12 111.51 1qjd n MET 226 Ca -0.01 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 1qjd n MET 226 Cb 0.18 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1qjd n MET 226 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qjd n GLY 227 N 1.08 1.07 3.83 3.03 0.00 0.11 -4.93 105.19 109.38 1qjd n GLY 227 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1qjd n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjd s ALA 228 N -2.00 3.15 -0.50 4.61 0.00 -0.34 -4.97 121.76 121.71 1qjd s ALA 228 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 1qjd s ALA 228 Cb 0.00 -2.99 0.08 0.00 0.00 0.00 0.00 23.12 20.21 1qjd s ALA 228 CO 0.00 0.21 0.49 0.34 0.00 0.00 0.00 175.76 176.80 1qjd s ASP 229 N -2.23 6.17 -0.30 0.00 2.15 -1.26 -4.32 116.67 116.88 1qjd s ASP 229 Ca 0.59 -1.30 0.08 0.00 0.43 0.00 0.00 52.55 52.34 1qjd s ASP 229 Cb -0.09 -2.22 0.46 0.00 -0.30 0.00 0.00 42.92 40.76 1qjd s ASP 229 CO 0.15 -0.77 1.18 0.18 -0.17 0.00 0.00 175.17 175.74 1qjd n LEU 230 N 5.53 4.69 0.03 -1.34 4.77 -1.26 -2.54 117.00 126.88 1qjd n LEU 230 Ca -0.11 -4.66 0.11 0.00 -0.03 0.00 0.00 56.01 51.32 1qjd n LEU 230 Cb 0.43 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1qjd n LEU 230 CO 0.51 2.05 -0.11 0.35 -1.33 0.00 0.00 177.39 178.86 1qjd n THR 231 N -0.69 0.19 -2.92 -5.08 -2.24 -1.06 -4.28 114.28 98.19 1qjd n THR 231 Ca 0.41 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.49 1qjd n THR 231 Cb 0.94 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1qjd n THR 231 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qjd s ASP 232 N -4.13 7.27 -0.17 3.42 2.15 0.08 -4.93 116.67 120.36 1qjd s ASP 232 Ca 0.02 1.52 -0.01 0.00 0.43 0.00 0.00 52.55 54.51 1qjd s ASP 232 Cb 0.14 -2.50 0.05 0.00 -0.30 0.00 0.00 42.92 40.31 1qjd s ASP 232 CO 0.82 -0.02 -0.02 -0.69 -0.17 0.00 0.00 175.17 175.09 1qjd s VAL 233 N 0.03 0.89 0.46 1.11 1.01 -1.26 -1.25 120.40 121.39 1qjd s VAL 233 Ca 0.41 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1qjd s VAL 233 Cb -0.21 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1qjd s VAL 233 CO 0.24 0.02 0.31 -0.83 0.00 0.00 0.00 175.10 174.85 1qjd s GLY 234 N 1.71 2.30 -0.10 4.51 0.00 0.10 -4.79 107.32 111.06 1qjd s GLY 234 Ca 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 42.93 1qjd s GLY 234 CO -0.07 -1.86 0.15 -0.29 0.00 0.00 0.00 173.10 171.03 1qjd s MET 235 N -4.10 3.44 0.33 2.90 -2.45 -1.26 -0.74 119.30 117.42 1qjd s MET 235 Ca 0.40 -0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.72 1qjd s MET 235 Cb -0.00 -3.18 -0.06 0.00 1.25 0.00 0.00 34.83 32.84 1qjd s MET 235 CO 0.23 0.76 0.07 -1.64 1.05 0.00 0.00 175.02 175.50 1qjd s MET 236 N -1.18 1.65 0.48 4.11 -1.94 -1.26 -4.21 119.30 116.96 1qjd s MET 236 Ca 0.17 -1.93 -0.23 0.00 -1.71 0.00 0.00 55.69 51.99 1qjd s MET 236 Cb -0.12 -0.76 -0.07 0.00 2.01 0.00 0.00 34.83 35.89 1qjd s MET 236 CO 0.06 -0.23 1.27 0.20 -0.01 0.00 0.00 175.02 176.31 1qjd s GLY 237 N -3.48 2.85 -0.87 -0.03 0.00 -1.26 -3.25 107.32 101.29 1qjd s GLY 237 Ca 0.35 1.16 0.00 0.00 0.00 0.00 0.00 44.72 46.23 1qjd s GLY 237 CO 0.15 1.67 0.00 0.61 0.00 0.00 0.00 173.10 175.53 1qjd n GLY 238 N 0.60 0.96 3.55 0.20 0.00 -0.21 -4.26 105.19 106.04 1qjd n GLY 238 Ca 0.08 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1qjd n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjd s ALA 239 N -2.31 2.89 -0.09 4.61 0.00 -1.20 -4.85 121.76 120.81 1qjd s ALA 239 Ca 0.00 -1.15 0.17 0.00 0.00 0.00 0.00 51.96 50.98 1qjd s ALA 239 Cb 0.00 -0.94 0.29 0.00 0.00 0.00 0.00 23.12 22.47 1qjd s ALA 239 CO 0.00 0.62 1.55 0.77 0.00 0.00 0.00 175.76 178.69 1qjd h SER 240 N 4.16 0.00 -5.32 0.00 0.02 -1.92 -3.47 113.55 107.02 1qjd h SER 240 Ca -0.48 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.35 1qjd h SER 240 Cb 1.16 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.58 1qjd h SER 240 CO 0.52 0.42 -0.34 0.68 -1.14 0.00 0.00 176.83 176.96 1qjd s VAL 241 N -3.16 0.04 -0.01 2.27 -7.23 -1.26 -5.11 120.40 105.94 1qjd s VAL 241 Ca 0.03 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1qjd s VAL 241 Cb 0.08 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 1qjd s VAL 241 CO 0.72 -0.18 1.97 0.20 -0.31 0.00 0.00 175.10 177.50 1qjd s ASN 242 N -3.02 6.32 0.00 4.85 -0.87 -1.26 -4.79 114.94 116.16 1qjd s ASN 242 Ca 0.23 2.50 0.00 0.00 -1.57 0.00 0.00 52.86 54.01 1qjd s ASN 242 Cb 0.03 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1qjd s ASN 242 CO 0.04 -1.19 0.44 -2.11 -2.57 0.00 0.00 177.10 171.72 1qjd n ARG 243 N 7.70 0.00 -3.12 -0.60 1.85 -0.75 -4.83 116.66 116.92 1qjd n ARG 243 Ca 0.21 -0.42 -0.43 0.00 -1.00 0.00 0.00 57.85 56.21 1qjd n ARG 243 Cb 0.42 -0.36 -0.07 0.00 -1.05 0.00 0.00 32.46 31.40 1qjd n ARG 243 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qjd s ALA 244 N 0.00 3.35 0.02 2.89 0.00 0.09 -2.44 121.76 125.66 1qjd s ALA 244 Ca 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 1qjd s ALA 244 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1qjd s ALA 244 CO 0.00 -1.88 0.43 -1.01 0.00 0.00 0.00 175.76 173.30 1qjd s HIS 245 N 2.81 3.73 0.28 0.00 3.76 -0.41 0.03 115.29 125.49 1qjd s HIS 245 Ca 0.20 1.02 -0.19 0.00 -0.15 0.00 0.00 55.06 55.95 1qjd s HIS 245 Cb -0.16 -2.31 0.02 0.00 1.11 0.00 0.00 32.58 31.24 1qjd s HIS 245 CO 0.17 0.63 0.66 -0.98 -0.85 0.00 0.00 174.74 174.37 1qjd s ARG 246 N -1.15 1.75 0.75 1.40 1.70 -0.38 -0.52 118.95 122.49 1qjd s ARG 246 Ca 0.25 -1.07 -0.15 0.00 -0.47 0.00 0.00 55.73 54.29 1qjd s ARG 246 Cb -0.17 0.58 0.05 0.00 -0.57 0.00 0.00 34.95 34.83 1qjd s ARG 246 CO 0.14 -0.78 1.24 -2.14 -1.08 0.00 0.00 175.30 172.68 1qjd s PRO 247 N -3.89 1.98 -0.09 3.89 0.02 -1.05 -0.74 135.00 135.11 1qjd s PRO 247 Ca 0.14 1.88 -0.39 0.00 0.02 0.00 0.00 61.00 62.65 1qjd s PRO 247 Cb -0.05 -1.80 -0.19 0.00 0.02 0.00 0.00 34.50 32.48 1qjd s PRO 247 CO 0.08 -1.99 1.11 2.41 -0.33 0.00 0.00 177.00 178.28 1qjd n THR 248 N -2.76 0.00 0.00 0.99 -1.04 -1.26 -1.62 114.28 108.59 1qjd n THR 248 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1qjd n THR 248 Cb 0.50 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1qjd n THR 248 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qjd n GLY 249 N 1.86 1.99 0.83 3.41 0.00 -1.26 -4.00 105.19 108.03 1qjd n GLY 249 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1qjd n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjd n GLY 250 N -2.00 1.12 3.81 -0.02 0.00 -0.64 -1.53 105.19 105.92 1qjd n GLY 250 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1qjd n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjd s ALA 251 N -2.22 2.19 0.48 4.61 0.00 -1.15 -2.38 121.76 123.30 1qjd s ALA 251 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 1qjd s ALA 251 Cb 0.00 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 1qjd s ALA 251 CO 0.00 -1.81 1.30 0.20 0.00 0.00 0.00 175.76 175.45 1qjd s GLY 252 N -3.96 2.87 0.16 0.00 0.00 -1.26 -4.15 107.32 100.99 1qjd s GLY 252 Ca 0.61 1.22 0.13 0.00 0.00 0.00 0.00 44.72 46.68 1qjd s GLY 252 CO 0.54 1.75 1.18 -0.24 0.00 0.00 0.00 173.10 176.33 1qjd h VAL 253 N 1.88 0.98 0.48 1.40 3.04 -1.21 -3.39 116.25 119.43 1qjd h VAL 253 Ca -0.50 -2.49 -0.02 0.00 -1.01 0.00 0.00 66.70 62.67 1qjd h VAL 253 Cb 1.27 2.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.98 1qjd h VAL 253 CO 0.60 0.56 -0.23 1.23 -1.01 0.00 0.00 177.57 178.71 1qjd h GLY 254 N 3.43 -0.68 1.73 3.17 0.00 -1.15 -0.70 103.07 108.88 1qjd h GLY 254 Ca -0.07 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1qjd h GLY 254 CO 0.08 -0.25 0.05 0.00 0.00 0.00 0.00 176.54 176.42 1qjd h ALA 255 N -1.41 1.63 0.14 3.60 0.00 -1.60 -1.33 119.26 120.29 1qjd h ALA 255 Ca -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1qjd h ALA 255 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qjd h ALA 255 CO 0.11 0.28 -0.07 1.25 0.00 0.00 0.00 179.25 180.83 1qjd h HIS 256 N 0.35 -0.17 -0.56 0.00 6.17 -1.74 -0.30 115.15 118.89 1qjd h HIS 256 Ca 0.08 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1qjd h HIS 256 Cb 0.16 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 1qjd h HIS 256 CO 0.00 0.09 0.36 0.28 0.71 0.00 0.00 177.93 179.37 1qjd h VAL 257 N -0.43 1.16 -0.47 5.26 2.07 -0.80 -0.98 116.25 122.05 1qjd h VAL 257 Ca -0.02 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1qjd h VAL 257 Cb 0.34 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1qjd h VAL 257 CO 0.03 0.16 -0.07 0.58 0.02 0.00 0.00 177.57 178.29 1qjd h VAL 258 N 0.76 1.25 -0.68 2.57 2.07 -1.19 -0.91 116.25 120.12 1qjd h VAL 258 Ca 0.20 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1qjd h VAL 258 Cb -0.05 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1qjd h VAL 258 CO -0.04 0.39 0.44 -0.61 0.02 0.00 0.00 177.57 177.77 1qjd h GLN 259 N 0.76 0.90 -0.41 1.57 5.75 -0.53 0.29 115.11 123.44 1qjd h GLN 259 Ca 0.13 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1qjd h GLN 259 Cb 0.55 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1qjd h GLN 259 CO 0.03 0.61 0.11 0.28 -2.65 0.00 0.00 178.83 177.21 1qjd h VAL 260 N 0.92 1.23 -0.57 2.39 2.07 -0.77 0.15 116.25 121.67 1qjd h VAL 260 Ca 0.25 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1qjd h VAL 260 Cb -0.08 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1qjd h VAL 260 CO -0.05 0.27 0.29 -0.07 0.02 0.00 0.00 177.57 178.03 1qjd h LEU 261 N 0.53 0.73 -0.33 2.57 3.38 -0.78 -1.37 115.31 120.04 1qjd h LEU 261 Ca 0.13 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1qjd h LEU 261 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1qjd h LEU 261 CO 0.00 0.64 0.20 0.22 0.09 0.00 0.00 178.44 179.59 1qjd h TYR 262 N 0.77 0.38 -0.82 1.13 3.20 -0.08 0.75 116.97 122.30 1qjd h TYR 262 Ca 0.20 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1qjd h TYR 262 Cb 0.09 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1qjd h TYR 262 CO -0.01 0.23 0.52 -0.44 -1.64 0.00 0.00 178.16 176.82 1qjd h ASP 263 N 0.41 0.85 0.26 -2.11 3.32 -0.45 -1.31 116.42 117.40 1qjd h ASP 263 Ca 0.13 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1qjd h ASP 263 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1qjd h ASP 263 CO -0.05 0.58 -0.50 0.78 -1.72 0.00 0.00 179.24 178.33 1qjd h ASN 264 N 1.00 0.29 0.13 6.45 2.35 -0.80 -0.07 115.58 124.92 1qjd h ASN 264 Ca 0.33 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1qjd h ASN 264 Cb 0.04 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1qjd h ASN 264 CO -0.13 0.75 -0.06 0.00 -1.65 0.00 0.00 177.43 176.34 1qjd h ALA 265 N 1.26 -0.17 -0.86 -0.83 0.00 -0.24 -2.38 119.26 116.04 1qjd h ALA 265 Ca 0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1qjd h ALA 265 Cb 0.96 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1qjd h ALA 265 CO 0.08 -0.51 0.56 0.28 0.00 0.00 0.00 179.25 179.66 1qjd h VAL 266 N -0.34 1.16 -0.97 0.00 2.07 -1.17 -1.24 116.25 115.76 1qjd h VAL 266 Ca -0.02 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.22 1qjd h VAL 266 Cb 0.28 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 1qjd h VAL 266 CO 0.03 0.20 0.62 0.50 0.02 0.00 0.00 177.57 178.94 1qjd h LYS 267 N 1.10 0.97 -0.40 1.57 3.64 -0.89 -1.48 116.57 121.07 1qjd h LYS 267 Ca 0.34 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1qjd h LYS 267 Cb -0.03 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1qjd h LYS 267 CO -0.10 0.64 0.00 0.54 -2.27 0.00 0.00 179.45 178.26 1qjd n ARG 268 N -4.56 1.94 -3.84 1.90 1.74 -0.64 -4.92 116.66 108.28 1qjd n ARG 268 Ca 0.17 -1.37 -0.27 0.00 -0.77 0.00 0.00 57.85 55.62 1qjd n ARG 268 Cb 0.30 -1.33 0.03 0.00 -1.02 0.00 0.00 32.46 30.44 1qjd n ARG 268 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1qjd n ASN 269 N 0.58 -3.21 -4.72 0.55 4.13 -0.56 -4.93 115.26 107.10 1qjd n ASN 269 Ca 0.13 -0.81 -0.42 0.00 1.68 0.00 0.00 54.58 55.16 1qjd n ASN 269 Cb 0.34 -3.90 -0.03 0.00 -1.54 0.00 0.00 39.78 34.65 1qjd n ASN 269 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1qjd s ILE 270 N -3.47 4.11 -0.61 2.41 1.01 -0.56 -4.94 121.20 119.14 1qjd s ILE 270 Ca 0.38 1.63 -0.27 0.00 0.00 0.00 0.00 60.65 62.40 1qjd s ILE 270 Cb -0.19 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1qjd s ILE 270 CO 0.83 0.19 1.72 -0.62 0.00 0.00 0.00 174.94 177.06 1qjd s ASP 271 N 0.55 5.53 -0.21 3.58 -1.08 -1.26 -4.82 116.67 118.96 1qjd s ASP 271 Ca 0.54 0.26 -0.06 0.00 -0.52 0.00 0.00 52.55 52.77 1qjd s ASP 271 Cb -0.28 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.62 1qjd s ASP 271 CO 0.31 -2.19 0.02 -0.22 0.52 0.00 0.00 175.17 173.62 1qjd s LEU 272 N 8.12 3.33 -0.21 -1.34 2.96 -1.26 -1.11 118.68 129.17 1qjd s LEU 272 Ca 0.61 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1qjd s LEU 272 Cb -0.12 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.74 1qjd s LEU 272 CO 0.21 0.04 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.99 1qjd s ARG 273 N 1.13 2.87 0.66 1.98 0.52 0.10 -4.98 118.95 121.22 1qjd s ARG 273 Ca 0.03 -0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 54.26 1qjd s ARG 273 Cb -0.14 -2.71 0.04 0.00 0.52 0.00 0.00 34.95 32.66 1qjd s ARG 273 CO 0.02 -0.30 0.96 -1.64 0.02 0.00 0.00 175.30 174.36 1qjd s MET 274 N 1.27 2.45 -1.29 3.54 -1.94 -1.26 -1.35 119.30 120.71 1qjd s MET 274 Ca 0.02 -0.22 -0.09 0.00 -1.71 0.00 0.00 55.69 53.69 1qjd s MET 274 Cb -0.15 -2.23 0.07 0.00 2.01 0.00 0.00 34.83 34.53 1qjd s MET 274 CO -0.10 -1.03 0.48 0.09 -0.01 0.00 0.00 175.02 174.45 1qjd n ASN 275 N -2.77 -3.88 -3.83 3.03 3.02 -0.41 -3.88 115.26 106.54 1qjd n ASN 275 Ca 0.07 -0.36 -0.29 0.00 -0.03 0.00 0.00 54.58 53.96 1qjd n ASN 275 Cb 0.59 -3.21 -0.16 0.00 -0.61 0.00 0.00 39.78 36.40 1qjd n ASN 275 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qjd s THR 276 N -2.94 1.04 -0.21 3.41 2.01 0.25 -1.22 115.64 117.98 1qjd s THR 276 Ca 0.38 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 61.33 1qjd s THR 276 Cb -0.20 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1qjd s THR 276 CO 0.47 -0.20 0.12 -0.60 -0.69 0.00 0.00 174.62 173.72 1qjd s ARG 277 N 1.61 4.05 -0.05 4.92 3.52 -0.66 -2.66 118.95 129.69 1qjd s ARG 277 Ca -0.02 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 1qjd s ARG 277 Cb -0.18 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1qjd s ARG 277 CO -0.08 0.17 1.22 0.20 -0.81 0.00 0.00 175.30 176.00 1qjd s GLY 278 N 0.70 2.06 -0.10 8.12 0.00 -1.26 -0.89 107.32 115.96 1qjd s GLY 278 Ca 0.06 0.65 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 1qjd s GLY 278 CO 0.01 2.25 -0.10 1.39 0.00 0.00 0.00 173.10 176.65 1qjd n ILE 279 N 4.64 0.56 -3.67 0.90 2.08 0.05 -4.94 119.36 118.97 1qjd n ILE 279 Ca 0.11 -0.19 -0.08 0.00 0.56 0.00 0.00 62.75 63.16 1qjd n ILE 279 Cb 0.46 -1.15 -0.09 0.00 -0.75 0.00 0.00 39.64 38.12 1qjd n ILE 279 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1qjd s GLU 280 N -2.19 0.50 0.14 0.38 2.12 -0.94 -4.79 118.70 113.93 1qjd s GLU 280 Ca -0.13 1.05 -0.31 0.00 0.36 0.00 0.00 54.97 55.93 1qjd s GLU 280 Cb 0.04 0.19 -0.09 0.00 0.26 0.00 0.00 34.13 34.53 1qjd s GLU 280 CO 0.21 -0.18 1.42 0.08 -0.54 0.00 0.00 175.26 176.25 1qjd s VAL 281 N 1.84 3.10 -0.14 3.70 1.01 -1.26 -1.42 120.40 127.23 1qjd s VAL 281 Ca -0.08 0.81 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 1qjd s VAL 281 Cb -0.08 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1qjd s VAL 281 CO -0.16 0.07 0.18 -0.76 0.00 0.00 0.00 175.10 174.43 1qjd s LEU 282 N 0.89 4.32 0.07 3.92 1.02 -0.12 -4.86 118.68 123.93 1qjd s LEU 282 Ca 0.65 0.44 0.08 0.00 0.02 0.00 0.00 54.13 55.31 1qjd s LEU 282 Cb -0.39 -2.16 -0.03 0.00 0.02 0.00 0.00 46.19 43.64 1qjd s LEU 282 CO 0.32 0.29 -0.21 -0.54 0.02 0.00 0.00 176.35 176.23 1qjd s LYS 283 N -0.41 1.27 0.00 1.70 1.02 -1.26 -0.19 119.74 121.88 1qjd s LYS 283 Ca 0.14 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1qjd s LYS 283 Cb -0.12 -1.46 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 1qjd s LYS 283 CO 0.03 0.36 0.00 -0.40 -0.92 0.00 0.00 175.35 174.42 1qjd n ASP 284 N 1.47 0.00 0.10 2.83 5.68 -0.13 -4.80 116.55 121.70 1qjd n ASP 284 Ca -0.18 -0.90 0.11 0.00 -0.50 0.00 0.00 54.79 53.32 1qjd n ASP 284 Cb 0.53 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.97 1qjd n ASP 284 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qjd n ASP 285 N -2.71 0.55 -1.34 -1.12 5.75 -1.26 -1.53 116.55 114.89 1qjd n ASP 285 Ca 0.00 0.62 0.07 0.00 -0.01 0.00 0.00 54.79 55.46 1qjd n ASP 285 Cb 0.00 -0.74 0.31 0.00 -1.03 0.00 0.00 41.12 39.66 1qjd n ASP 285 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1qjd n LYS 286 N -2.08 3.65 -1.02 0.11 -0.00 -1.26 -4.95 118.16 112.61 1qjd n LYS 286 Ca 0.03 -2.99 -0.01 0.00 -0.00 0.00 0.00 58.31 55.34 1qjd n LYS 286 Cb 0.26 -2.02 -0.00 0.00 -0.00 0.00 0.00 35.03 33.26 1qjd n LYS 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qjd n GLY 287 N -0.11 0.48 3.95 2.58 0.00 -0.58 -5.03 105.19 106.47 1qjd n GLY 287 Ca 0.25 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1qjd n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qjd s THR 288 N -1.95 5.28 0.47 2.61 -4.23 -1.26 -4.38 115.64 112.18 1qjd s THR 288 Ca 0.00 -0.68 -0.21 0.00 -1.18 0.00 0.00 61.69 59.62 1qjd s THR 288 Cb 0.00 -3.77 -0.08 0.00 1.34 0.00 0.00 72.50 69.99 1qjd s THR 288 CO 0.00 -0.17 1.06 0.68 -0.54 0.00 0.00 174.62 175.65 1qjd s VAL 289 N -1.83 3.67 0.00 2.29 -7.23 0.00 -0.95 120.40 116.35 1qjd s VAL 289 Ca 0.35 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.63 1qjd s VAL 289 Cb -0.11 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1qjd s VAL 289 CO 0.29 -0.15 0.05 2.29 -0.31 0.00 0.00 175.10 177.27 1qjd n LYS 290 N -0.73 4.71 -3.69 4.82 2.85 0.74 -4.67 118.16 122.19 1qjd n LYS 290 Ca 0.08 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1qjd n LYS 290 Cb 0.51 -0.46 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 1qjd n LYS 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qjd n GLY 291 N 0.69 -0.59 3.22 2.58 0.00 -1.09 -1.42 105.19 108.57 1qjd n GLY 291 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1qjd n GLY 291 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qjd s ILE 292 N -3.00 -0.01 -0.12 -0.61 2.07 0.08 -0.94 121.20 118.67 1qjd s ILE 292 Ca 0.00 0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.21 1qjd s ILE 292 Cb 0.00 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1qjd s ILE 292 CO 0.00 0.01 0.13 -1.48 -1.91 0.00 0.00 174.94 171.70 1qjd s LEU 293 N 0.56 4.34 0.32 8.50 -0.00 -0.51 -0.89 118.68 130.99 1qjd s LEU 293 Ca -0.03 0.44 0.10 0.00 -0.00 0.00 0.00 54.13 54.64 1qjd s LEU 293 Cb -0.05 -2.06 -0.06 0.00 -0.00 0.00 0.00 46.19 44.03 1qjd s LEU 293 CO -0.03 0.40 -0.10 0.68 -0.00 0.00 0.00 176.35 177.29 1qjd s VAL 294 N -0.97 2.46 -0.27 1.48 -7.23 0.33 -0.77 120.40 115.44 1qjd s VAL 294 Ca 0.15 -2.21 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1qjd s VAL 294 Cb -0.12 -2.58 0.07 0.00 0.56 0.00 0.00 36.38 34.31 1qjd s VAL 294 CO 0.04 -0.27 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.72 1qjd s LYS 295 N -3.60 2.10 0.07 4.82 2.20 -0.07 -1.83 119.74 123.42 1qjd s LYS 295 Ca 0.32 -1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.23 1qjd s LYS 295 Cb -0.01 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 1qjd s LYS 295 CO 0.17 -0.62 1.05 0.20 -0.36 0.00 0.00 175.35 175.78 1qjd s GLY 296 N 1.09 2.79 0.45 5.54 0.00 0.16 -1.66 107.32 115.70 1qjd s GLY 296 Ca -0.06 0.67 0.15 0.00 0.00 0.00 0.00 44.72 45.48 1qjd s GLY 296 CO -0.06 1.73 1.99 1.98 0.00 0.00 0.00 173.10 178.74 1qjd h MET 297 N 6.28 0.00 0.00 2.90 4.05 -1.44 0.23 114.93 126.94 1qjd h MET 297 Ca -0.42 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.93 1qjd h MET 297 Cb 1.22 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 1qjd h MET 297 CO 0.75 0.18 -1.71 0.66 0.23 0.00 0.00 176.91 177.02 1qjd n TYR 298 N -4.28 0.00 0.01 1.39 4.01 -1.26 -4.60 117.16 112.42 1qjd n TYR 298 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.72 1qjd n TYR 298 Cb 0.25 -0.42 0.02 0.00 -0.31 0.00 0.00 39.34 38.88 1qjd n TYR 298 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1qjd n LYS 299 N -2.14 1.62 0.00 -0.72 4.76 -1.21 -5.01 118.16 115.46 1qjd n LYS 299 Ca -0.08 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.13 1qjd n LYS 299 Cb 0.54 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 1qjd n LYS 299 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qjd n GLY 300 N -0.19 -1.40 3.79 0.72 0.00 0.81 -4.82 105.19 104.10 1qjd n GLY 300 Ca 0.01 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1qjd n GLY 300 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qjd s TYR 301 N 0.00 3.54 0.08 1.61 2.02 -1.26 0.37 117.35 123.72 1qjd s TYR 301 Ca 0.00 1.72 -0.27 0.00 -0.37 0.00 0.00 57.07 58.16 1qjd s TYR 301 Cb 0.00 -2.93 0.08 0.00 -0.40 0.00 0.00 41.96 38.71 1qjd s TYR 301 CO 0.00 0.03 0.91 1.52 -1.57 0.00 0.00 175.55 176.44 1qjd s TYR 302 N -1.77 -0.24 0.18 2.71 -0.85 -0.76 -4.87 117.35 111.75 1qjd s TYR 302 Ca 0.54 0.02 0.07 0.00 -0.52 0.00 0.00 57.07 57.18 1qjd s TYR 302 Cb -0.16 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1qjd s TYR 302 CO 0.21 -0.70 -0.13 1.67 -1.52 0.00 0.00 175.55 175.08 1qjd s TRP 303 N -3.23 1.55 -0.10 -3.49 1.48 -1.26 -0.51 118.94 113.38 1qjd s TRP 303 Ca 0.09 -0.64 0.03 0.00 -1.06 0.00 0.00 56.10 54.52 1qjd s TRP 303 Cb -0.01 -0.74 0.01 0.00 -1.16 0.00 0.00 33.47 31.56 1qjd s TRP 303 CO -0.03 0.26 -0.21 0.08 -4.06 0.00 0.00 176.95 172.99 1qjd s VAL 304 N -3.09 1.83 -0.14 -0.66 1.01 -0.07 -0.84 120.40 118.44 1qjd s VAL 304 Ca 0.20 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1qjd s VAL 304 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1qjd s VAL 304 CO 0.05 0.51 0.56 -0.75 0.00 0.00 0.00 175.10 175.46 1qjd s LYS 305 N 0.56 4.30 0.00 2.72 2.20 0.19 -0.74 119.74 128.97 1qjd s LYS 305 Ca -0.15 0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 55.73 1qjd s LYS 305 Cb -0.17 -3.50 0.08 0.00 -1.51 0.00 0.00 37.83 32.73 1qjd s LYS 305 CO 0.05 -0.01 0.70 0.00 -0.36 0.00 0.00 175.35 175.73 1qjd s ALA 306 N 1.14 -1.74 0.09 3.13 0.00 -0.51 -1.21 121.76 122.67 1qjd s ALA 306 Ca 0.28 1.10 0.15 0.00 0.00 0.00 0.00 51.96 53.49 1qjd s ALA 306 Cb -0.16 0.21 0.36 0.00 0.00 0.00 0.00 23.12 23.53 1qjd s ALA 306 CO 0.11 -0.49 1.58 -0.44 0.00 0.00 0.00 175.76 176.52 1qjd h ASP 307 N 2.62 0.00 -5.03 0.00 3.32 -1.56 -3.16 116.42 112.62 1qjd h ASP 307 Ca -0.28 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 1qjd h ASP 307 Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 1qjd h ASP 307 CO 0.38 0.52 -0.64 0.00 -1.72 0.00 0.00 179.24 177.78 1qjd s ALA 308 N -3.33 0.08 -0.06 3.45 0.00 -0.82 -4.55 121.76 116.53 1qjd s ALA 308 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1qjd s ALA 308 Cb 0.10 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1qjd s ALA 308 CO 0.73 -0.22 -0.13 0.08 0.00 0.00 0.00 175.76 176.22 1qjd s VAL 309 N -1.98 1.16 -0.26 0.00 1.01 -0.43 -1.50 120.40 118.39 1qjd s VAL 309 Ca -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1qjd s VAL 309 Cb -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1qjd s VAL 309 CO -0.02 0.36 -0.01 -0.63 0.00 0.00 0.00 175.10 174.79 1qjd s ILE 310 N 0.62 3.33 -0.31 2.22 1.01 -0.12 -1.15 121.20 126.80 1qjd s ILE 310 Ca -0.14 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 1qjd s ILE 310 Cb -0.16 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1qjd s ILE 310 CO 0.04 0.20 0.78 -0.76 0.00 0.00 0.00 174.94 175.20 1qjd s LEU 311 N 1.41 4.09 -0.37 2.97 2.01 0.47 -0.95 118.68 128.32 1qjd s LEU 311 Ca 0.02 0.62 0.13 0.00 0.01 0.00 0.00 54.13 54.91 1qjd s LEU 311 Cb -0.16 -3.05 0.43 0.00 0.01 0.00 0.00 46.19 43.41 1qjd s LEU 311 CO -0.02 -0.61 0.97 0.00 1.01 0.00 0.00 176.35 177.70 1qjd n ALA 312 N 6.20 3.82 1.23 4.21 0.00 0.52 -2.14 120.51 134.35 1qjd n ALA 312 Ca 0.03 -3.59 0.13 0.00 0.00 0.00 0.00 53.44 50.01 1qjd n ALA 312 Cb 0.48 -0.81 0.35 0.00 0.00 0.00 0.00 19.45 19.47 1qjd n ALA 312 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qjd n THR 313 N -0.16 0.05 -3.06 0.00 -2.24 -1.22 -4.30 114.28 103.35 1qjd n THR 313 Ca 0.21 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1qjd n THR 313 Cb 0.73 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1qjd n THR 313 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qjd n GLY 314 N 1.25 -2.05 0.00 3.38 0.00 -1.26 -4.85 105.19 101.66 1qjd n GLY 314 Ca 0.17 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1qjd n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjd n GLY 315 N -0.03 0.98 0.50 -0.02 0.00 -1.26 -2.96 105.19 102.41 1qjd n GLY 315 Ca 0.00 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 44.14 1qjd n GLY 315 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qjd n PHE 316 N -0.71 0.00 0.24 1.61 -1.74 -1.26 -3.37 117.46 112.23 1qjd n PHE 316 Ca 0.00 -1.02 0.10 0.00 -0.56 0.00 0.00 57.45 55.97 1qjd n PHE 316 Cb 0.00 -0.18 0.49 0.00 1.52 0.00 0.00 39.48 41.32 1qjd n PHE 316 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1qjd n ALA 317 N -0.91 1.27 0.39 1.98 0.00 -1.18 -1.26 120.51 120.81 1qjd n ALA 317 Ca 0.14 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1qjd n ALA 317 Cb 0.73 -1.31 0.19 0.00 0.00 0.00 0.00 19.45 19.06 1qjd n ALA 317 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1qjd h LYS 318 N 0.00 0.00 -5.23 0.00 3.64 -1.35 -3.42 116.57 110.21 1qjd h LYS 318 Ca 0.00 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.70 1qjd h LYS 318 Cb 0.13 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.80 1qjd h LYS 318 CO 0.00 0.00 1.22 1.21 -2.27 0.00 0.00 179.45 179.61 1qjd s ASN 319 N -5.08 6.74 0.41 4.20 3.84 -0.39 -4.85 114.94 119.81 1qjd s ASN 319 Ca 0.06 -2.21 0.18 0.00 0.21 0.00 0.00 52.86 51.10 1qjd s ASN 319 Cb 0.10 -2.45 0.91 0.00 -0.55 0.00 0.00 41.25 39.26 1qjd s ASN 319 CO 0.69 -1.08 1.87 -1.13 -2.79 0.00 0.00 177.10 174.67 1qjd h ASN 320 N 8.47 0.00 -0.42 -4.21 -0.73 -1.83 -1.31 115.58 115.54 1qjd h ASN 320 Ca 0.23 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.40 1qjd h ASN 320 Cb 0.97 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1qjd h ASN 320 CO 1.23 0.30 0.25 -0.08 -0.37 0.00 0.00 177.43 178.76 1qjd h GLU 321 N 0.00 0.57 -0.17 6.67 4.81 -1.96 0.33 114.58 124.83 1qjd h GLU 321 Ca -0.00 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.96 1qjd h GLU 321 Cb 0.63 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1qjd h GLU 321 CO 0.04 0.43 -0.72 -0.09 -0.73 0.00 0.00 179.01 177.94 1qjd h ARG 322 N 0.56 0.74 0.06 1.92 2.43 -1.83 -2.76 114.38 115.50 1qjd h ARG 322 Ca 0.15 -0.57 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 1qjd h ARG 322 Cb 0.01 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1qjd h ARG 322 CO -0.03 1.19 -0.11 0.28 -1.51 0.00 0.00 179.97 179.79 1qjd h VAL 323 N 0.52 0.74 0.00 0.20 2.07 -1.05 -2.71 116.25 116.02 1qjd h VAL 323 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1qjd h VAL 323 Cb 1.34 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1qjd h VAL 323 CO 0.15 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 1qjd h ALA 324 N 0.70 1.66 0.00 1.67 0.00 -0.36 0.38 119.26 123.32 1qjd h ALA 324 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1qjd h ALA 324 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1qjd h ALA 324 CO -0.07 0.10 -0.34 0.87 0.00 0.00 0.00 179.25 179.81 1qjd h LYS 325 N 0.00 0.00 0.09 0.00 1.57 -1.18 -2.73 116.57 114.33 1qjd h LYS 325 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1qjd h LYS 325 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1qjd h LYS 325 CO 0.01 0.34 -1.77 -0.07 -0.57 0.00 0.00 179.45 177.39 1qjd h LEU 326 N 0.00 0.31 -6.48 2.94 3.38 -0.71 -3.43 115.31 111.31 1qjd h LEU 326 Ca -0.00 -0.58 -0.51 0.00 0.09 0.00 0.00 57.88 56.88 1qjd h LEU 326 Cb 0.67 -0.10 -0.36 0.00 0.09 0.00 0.00 40.66 40.96 1qjd h LEU 326 CO 0.04 1.51 -0.80 -0.62 0.09 0.00 0.00 178.44 178.66 1qjd s ASP 327 N -6.78 2.28 0.42 -0.43 -1.08 0.11 -4.80 116.67 106.39 1qjd s ASP 327 Ca -0.13 -2.04 0.28 0.00 -0.52 0.00 0.00 52.55 50.14 1qjd s ASP 327 Cb 0.07 -0.07 1.52 0.00 -1.46 0.00 0.00 42.92 42.98 1qjd s ASP 327 CO 0.81 -0.28 1.86 -0.65 0.52 0.00 0.00 175.17 177.43 1qjd h PRO 328 N 6.94 0.00 0.00 4.34 0.11 -1.72 -0.38 132.00 141.29 1qjd h PRO 328 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1qjd h PRO 328 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1qjd h PRO 328 CO 0.24 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.90 1qjd n SER 329 N -2.49 0.23 -0.99 -2.05 3.41 -1.26 -2.38 113.62 108.09 1qjd n SER 329 Ca -0.02 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 1qjd n SER 329 Cb 0.05 -0.61 0.22 0.00 -0.26 0.00 0.00 64.21 63.61 1qjd n SER 329 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qjd n LEU 330 N -1.75 3.32 -4.70 1.04 4.77 -0.15 -4.97 117.00 114.56 1qjd n LEU 330 Ca 0.03 -1.80 -0.43 0.00 -0.03 0.00 0.00 56.01 53.78 1qjd n LEU 330 Cb 0.18 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1qjd n LEU 330 CO 0.15 0.79 1.35 1.17 -1.33 0.00 0.00 177.39 179.52 1qjd n LYS 331 N 1.14 2.63 -0.72 3.23 4.81 -1.00 -2.59 118.16 125.66 1qjd n LYS 331 Ca 0.17 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.56 1qjd n LYS 331 Cb 0.52 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.79 1qjd n LYS 331 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qjd n GLY 332 N 3.88 1.19 3.78 3.14 0.00 -1.26 -5.03 105.19 110.89 1qjd n GLY 332 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1qjd n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qjd s PHE 333 N -3.57 2.81 0.54 1.61 0.40 -1.07 -5.04 117.98 113.66 1qjd s PHE 333 Ca 0.00 1.56 -0.17 0.00 -0.60 0.00 0.00 56.93 57.71 1qjd s PHE 333 Cb 0.00 -3.21 -0.06 0.00 0.51 0.00 0.00 43.02 40.26 1qjd s PHE 333 CO 0.00 -1.28 1.03 0.42 0.70 0.00 0.00 175.22 176.08 1qjd s ILE 334 N -1.84 4.03 0.21 0.64 1.01 -1.26 -4.77 121.20 119.22 1qjd s ILE 334 Ca 0.70 1.05 0.07 0.00 0.00 0.00 0.00 60.65 62.48 1qjd s ILE 334 Cb -0.21 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1qjd s ILE 334 CO 0.25 -0.48 0.07 -0.55 0.00 0.00 0.00 174.94 174.23 1qjd s SER 335 N -2.62 5.03 0.00 3.58 0.15 -1.26 -0.14 113.70 118.44 1qjd s SER 335 Ca 0.63 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 57.19 1qjd s SER 335 Cb -0.14 -1.14 1.14 0.00 -1.71 0.00 0.00 66.02 64.17 1qjd s SER 335 CO 0.30 0.03 1.80 0.35 1.20 0.00 0.00 173.24 176.92 1qjd n THR 336 N -0.62 0.00 -3.09 6.45 -2.24 -0.68 -4.83 114.28 109.28 1qjd n THR 336 Ca -0.08 -0.10 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 1qjd n THR 336 Cb 0.57 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1qjd n THR 336 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1qjd s ASN 337 N -2.37 6.21 0.76 3.42 0.02 -1.26 -4.77 114.94 116.95 1qjd s ASN 337 Ca 0.31 0.58 -0.15 0.00 -1.02 0.00 0.00 52.86 52.58 1qjd s ASN 337 Cb 0.20 -2.03 0.05 0.00 0.02 0.00 0.00 41.25 39.50 1qjd s ASN 337 CO 0.45 -0.45 1.23 0.00 0.02 0.00 0.00 177.10 178.36 1qjd s GLN 338 N -4.49 1.93 0.54 -0.60 1.03 -1.26 -4.93 119.66 111.88 1qjd s GLN 338 Ca 0.43 1.84 0.30 0.00 0.04 0.00 0.00 55.36 57.98 1qjd s GLN 338 Cb -0.10 -1.80 1.54 0.00 0.03 0.00 0.00 33.01 32.68 1qjd s GLN 338 CO 0.39 -2.01 2.09 -1.00 -2.54 0.00 0.00 175.29 172.21 1qjd h PRO 339 N -0.45 0.00 -0.13 9.60 0.13 -1.98 -2.76 132.00 136.41 1qjd h PRO 339 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1qjd h PRO 339 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1qjd h PRO 339 CO 0.48 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1qjd n GLY 340 N -0.61 0.21 2.72 1.56 0.00 -1.26 -4.70 105.19 103.11 1qjd n GLY 340 Ca -0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1qjd n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjd n ALA 341 N 0.28 5.77 -0.15 4.61 0.00 -1.04 -4.53 120.51 125.45 1qjd n ALA 341 Ca 0.17 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1qjd n ALA 341 Cb 0.33 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.50 1qjd n ALA 341 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qjd n VAL 342 N 4.13 0.45 -0.40 0.00 0.24 -1.24 -0.94 118.33 120.57 1qjd n VAL 342 Ca 0.51 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1qjd n VAL 342 Cb 0.36 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1qjd n VAL 342 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qjd n GLY 343 N -0.23 0.78 0.23 7.63 0.00 -1.22 -4.74 105.19 107.65 1qjd n GLY 343 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1qjd n GLY 343 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qjd h ASP 344 N 0.00 0.40 -0.15 1.61 2.03 -1.89 -1.96 116.42 116.47 1qjd h ASP 344 Ca 0.00 -0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1qjd h ASP 344 Cb 0.00 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 1qjd h ASP 344 CO 0.00 0.65 0.09 1.23 -1.03 0.00 0.00 179.24 180.18 1qjd h GLY 345 N 1.00 0.22 1.65 7.15 0.00 -1.92 0.52 103.07 111.69 1qjd h GLY 345 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1qjd h GLY 345 CO 0.04 0.08 -0.22 1.41 0.00 0.00 0.00 176.54 177.86 1qjd h LEU 346 N 0.21 0.41 -0.42 3.11 3.38 -1.70 0.36 115.31 120.65 1qjd h LEU 346 Ca 0.06 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1qjd h LEU 346 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1qjd h LEU 346 CO -0.01 0.63 0.04 0.44 0.09 0.00 0.00 178.44 179.64 1qjd h ASP 347 N 0.37 0.70 -0.68 -0.43 3.32 -0.74 -0.89 116.42 118.06 1qjd h ASP 347 Ca 0.06 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 56.90 1qjd h ASP 347 Cb 0.59 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 1qjd h ASP 347 CO 0.04 0.80 0.36 0.58 -1.72 0.00 0.00 179.24 179.31 1qjd h VAL 348 N 0.57 0.92 -0.35 -1.35 2.07 -0.79 -0.28 116.25 117.03 1qjd h VAL 348 Ca 0.13 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1qjd h VAL 348 Cb 0.42 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1qjd h VAL 348 CO 0.01 0.12 0.13 0.00 0.02 0.00 0.00 177.57 177.86 1qjd h ALA 349 N 1.38 0.46 -0.60 1.67 0.00 -0.55 -2.50 119.26 119.11 1qjd h ALA 349 Ca 0.32 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1qjd h ALA 349 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1qjd h ALA 349 CO -0.21 0.07 0.02 0.93 0.00 0.00 0.00 179.25 180.05 1qjd h GLU 350 N 0.42 1.03 0.00 0.00 5.08 -0.68 -1.36 114.58 119.07 1qjd h GLU 350 Ca 0.12 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1qjd h GLU 350 Cb 0.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1qjd h GLU 350 CO -0.01 1.00 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.91 1qjd h ASN 351 N 0.95 0.00 -0.07 1.42 2.35 -0.98 -1.02 115.58 118.23 1qjd h ASN 351 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1qjd h ASN 351 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1qjd h ASN 351 CO 0.03 0.19 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 1qjd n ALA 352 N -2.37 2.57 -0.08 -0.83 0.00 -0.78 -4.90 120.51 114.12 1qjd n ALA 352 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1qjd n ALA 352 Cb 0.28 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1qjd n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qjd n GLY 353 N 1.00 0.72 3.76 0.00 0.00 -0.38 -5.07 105.19 105.22 1qjd n GLY 353 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1qjd n GLY 353 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qjd s GLY 354 N -1.48 2.99 0.43 -0.02 0.00 -0.58 -4.12 107.32 104.54 1qjd s GLY 354 Ca 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 44.72 45.56 1qjd s GLY 354 CO 0.00 1.43 0.69 0.00 0.00 0.00 0.00 173.10 175.22 1qjd s ALA 355 N -1.27 3.54 0.27 3.20 0.00 -0.17 -4.16 121.76 123.17 1qjd s ALA 355 Ca 0.48 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.82 1qjd s ALA 355 Cb -0.30 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1qjd s ALA 355 CO 0.38 -0.24 0.05 -0.51 0.00 0.00 0.00 175.76 175.45 1qjd s LEU 356 N -4.57 3.31 0.13 0.00 1.43 -1.26 -1.14 118.68 116.59 1qjd s LEU 356 Ca 0.45 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 1qjd s LEU 356 Cb -0.10 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.34 1qjd s LEU 356 CO 0.41 -0.04 0.47 -1.59 0.23 0.00 0.00 176.35 175.83 1qjd s LYS 357 N -3.72 1.13 -1.39 1.70 -2.85 -0.37 -4.80 119.74 109.44 1qjd s LYS 357 Ca 0.32 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 1qjd s LYS 357 Cb -0.06 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 1qjd s LYS 357 CO 0.21 -0.46 0.00 -0.25 0.10 0.00 0.00 175.35 174.95 1qjd n ASP 358 N -0.25 -4.12 0.28 0.03 9.92 -1.26 -1.94 116.55 119.21 1qjd n ASP 358 Ca -0.16 0.25 0.17 0.00 -0.53 0.00 0.00 54.79 54.52 1qjd n ASP 358 Cb 0.64 -3.63 0.75 0.00 -0.64 0.00 0.00 41.12 38.25 1qjd n ASP 358 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1qjd h MET 359 N 0.00 0.00 0.00 -1.24 2.86 -1.91 -2.68 114.93 111.96 1qjd h MET 359 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1qjd h MET 359 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1qjd h MET 359 CO 0.42 0.02 0.00 0.00 1.06 0.00 0.00 176.91 178.41 1qjd n GLN 360 N -3.13 0.28 -3.33 1.72 0.00 -1.26 -4.61 117.38 107.05 1qjd n GLN 360 Ca -0.00 0.06 -0.45 0.00 0.00 0.00 0.00 57.00 56.60 1qjd n GLN 360 Cb 0.28 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.96 1qjd n GLN 360 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1qjd s TYR 361 N -2.67 3.24 -0.08 2.61 2.02 -1.02 -4.67 117.35 116.78 1qjd s TYR 361 Ca 0.21 -1.15 0.03 0.00 -0.37 0.00 0.00 57.07 55.79 1qjd s TYR 361 Cb 0.17 -3.60 0.01 0.00 -0.40 0.00 0.00 41.96 38.13 1qjd s TYR 361 CO 0.40 -0.96 -0.18 0.42 -1.57 0.00 0.00 175.55 173.65 1qjd s ILE 362 N 1.67 1.62 -0.16 2.71 1.01 -1.26 -1.76 121.20 125.03 1qjd s ILE 362 Ca 0.04 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 1qjd s ILE 362 Cb -0.28 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1qjd s ILE 362 CO 0.04 0.46 0.30 -1.58 0.00 0.00 0.00 174.94 174.17 1qjd s GLN 363 N 0.48 4.26 -0.14 2.79 0.74 0.23 -4.99 119.66 123.02 1qjd s GLN 363 Ca -0.17 0.11 -0.13 0.00 0.05 0.00 0.00 55.36 55.22 1qjd s GLN 363 Cb -0.17 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 1qjd s GLN 363 CO 0.06 0.23 0.28 0.00 -0.55 0.00 0.00 175.29 175.32 1qjd s ALA 364 N 0.48 3.64 0.15 1.58 0.00 -1.26 -0.62 121.76 125.72 1qjd s ALA 364 Ca 0.17 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 1qjd s ALA 364 Cb -0.13 -2.34 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1qjd s ALA 364 CO 0.04 0.19 1.19 -1.58 0.00 0.00 0.00 175.76 175.60 1qjd s HIS 365 N 0.13 3.45 0.12 0.00 2.46 0.39 -4.77 115.29 117.07 1qjd s HIS 365 Ca 0.17 1.41 0.24 0.00 0.47 0.00 0.00 55.06 57.35 1qjd s HIS 365 Cb -0.13 -3.41 0.88 0.00 -0.13 0.00 0.00 32.58 29.80 1qjd s HIS 365 CO 0.05 -1.15 1.81 -1.35 -2.47 0.00 0.00 174.74 171.63 1qjd h PRO 366 N 5.64 0.00 -2.77 2.88 0.11 -1.86 -0.70 132.00 135.30 1qjd h PRO 366 Ca -0.44 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.07 1qjd h PRO 366 Cb 1.21 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.91 1qjd h PRO 366 CO 0.76 0.23 -0.70 0.25 -0.21 0.00 0.00 178.00 178.33 1qjd n THR 367 N -3.38 0.88 -2.63 -1.15 -2.24 -1.26 -2.78 114.28 101.72 1qjd n THR 367 Ca 0.00 -4.50 -0.41 0.00 -2.27 0.00 0.00 64.05 56.88 1qjd n THR 367 Cb 0.44 -2.03 -0.04 0.00 -2.10 0.00 0.00 70.33 66.60 1qjd n THR 367 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1qjd s LEU 368 N -1.16 4.49 0.05 3.22 2.96 0.58 -1.29 118.68 127.52 1qjd s LEU 368 Ca 0.29 1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 55.82 1qjd s LEU 368 Cb 0.01 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1qjd s LEU 368 CO -0.16 -0.14 1.79 -0.55 -1.32 0.00 0.00 176.35 175.97 1qjd s SER 369 N -0.03 6.53 0.11 3.68 0.15 -0.14 -1.13 113.70 122.87 1qjd s SER 369 Ca 0.48 2.55 -0.18 0.00 0.70 0.00 0.00 55.95 59.51 1qjd s SER 369 Cb -0.26 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.45 1qjd s SER 369 CO 0.32 -0.97 1.64 0.58 1.20 0.00 0.00 173.24 176.01 1qjd h VAL 370 N 5.20 1.19 -0.53 4.45 2.07 -1.51 0.19 116.25 127.31 1qjd h VAL 370 Ca -0.45 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1qjd h VAL 370 Cb 1.21 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1qjd h VAL 370 CO 0.94 0.20 0.05 0.50 0.02 0.00 0.00 177.57 179.27 1qjd h LYS 371 N 0.32 0.91 0.00 1.57 3.64 -1.90 -3.31 116.57 117.80 1qjd h LYS 371 Ca 0.10 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1qjd h LYS 371 Cb 0.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1qjd h LYS 371 CO -0.01 0.90 -1.08 0.41 -2.27 0.00 0.00 179.45 177.41 1qjd n GLY 372 N -0.47 -1.12 2.76 5.01 0.00 -1.20 -4.99 105.19 105.19 1qjd n GLY 372 Ca 0.02 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1qjd n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjd n GLY 373 N 1.41 -0.51 3.16 -0.02 0.00 0.67 -4.87 105.19 105.02 1qjd n GLY 373 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1qjd n GLY 373 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qjd s VAL 374 N -3.03 0.76 0.27 1.61 -7.23 -1.25 -4.92 120.40 106.60 1qjd s VAL 374 Ca 0.17 -1.71 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 1qjd s VAL 374 Cb -0.08 -1.41 -0.11 0.00 0.56 0.00 0.00 36.38 35.35 1qjd s VAL 374 CO 0.21 -0.69 1.51 -0.32 -0.31 0.00 0.00 175.10 175.49 1qjd s MET 375 N -3.14 4.20 -0.26 4.82 -2.45 -1.26 -0.97 119.30 120.24 1qjd s MET 375 Ca 0.06 2.42 -0.07 0.00 -1.25 0.00 0.00 55.69 56.85 1qjd s MET 375 Cb 0.00 -3.07 -0.02 0.00 1.25 0.00 0.00 34.83 32.99 1qjd s MET 375 CO -0.02 -0.52 0.08 0.08 1.05 0.00 0.00 175.02 175.69 1qjd s VAL 376 N 0.03 4.28 0.43 10.11 1.01 -0.41 -4.81 120.40 131.03 1qjd s VAL 376 Ca 0.61 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1qjd s VAL 376 Cb -0.44 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1qjd s VAL 376 CO 0.45 0.28 1.42 1.07 0.00 0.00 0.00 175.10 178.32 1qjd n THR 377 N 4.92 2.55 0.28 3.92 5.66 -1.26 -4.71 114.28 125.64 1qjd n THR 377 Ca -0.16 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.51 1qjd n THR 377 Cb 0.51 -1.82 0.93 0.00 -1.55 0.00 0.00 70.33 68.39 1qjd n THR 377 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1qjd h GLU 378 N 2.42 0.00 0.00 1.09 4.81 -1.97 -0.52 114.58 120.41 1qjd h GLU 378 Ca -0.50 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1qjd h GLU 378 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1qjd h GLU 378 CO 0.62 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.86 1qjd h ALA 379 N 1.90 1.19 -0.72 2.92 0.00 -1.89 0.52 119.26 123.18 1qjd h ALA 379 Ca 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1qjd h ALA 379 Cb 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1qjd h ALA 379 CO -0.00 0.05 0.45 0.28 0.00 0.00 0.00 179.25 180.03 1qjd h VAL 380 N 0.00 1.10 -0.12 0.00 2.07 -1.43 0.19 116.25 118.05 1qjd h VAL 380 Ca -0.00 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1qjd h VAL 380 Cb 0.18 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1qjd h VAL 380 CO 0.01 0.16 -0.36 0.03 0.02 0.00 0.00 177.57 177.43 1qjd h ARG 381 N 0.88 0.46 -0.93 1.57 3.08 -1.34 -1.83 114.38 116.27 1qjd h ARG 381 Ca 0.29 -0.33 0.09 0.00 0.07 0.00 0.00 59.98 60.10 1qjd h ARG 381 Cb 0.02 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 1qjd h ARG 381 CO -0.11 0.95 0.60 0.78 -1.07 0.00 0.00 179.97 181.12 1qjd h GLY 382 N 0.06 1.39 0.21 0.04 0.00 -0.61 -0.39 103.07 103.77 1qjd h GLY 382 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1qjd h GLY 382 CO 0.08 0.22 0.00 0.70 0.00 0.00 0.00 176.54 177.54 1qjd n ASN 383 N -4.54 0.67 0.00 0.19 4.13 0.62 -4.63 115.26 111.70 1qjd n ASN 383 Ca 0.16 -1.35 0.00 0.00 1.68 0.00 0.00 54.58 55.07 1qjd n ASN 383 Cb 0.29 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1qjd n ASN 383 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qjd n GLY 384 N 1.02 0.98 3.66 7.41 0.00 -0.16 -4.62 105.19 113.48 1qjd n GLY 384 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1qjd n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjd n ALA 385 N 0.00 -0.27 -2.48 4.61 0.00 -0.70 -4.82 120.51 116.86 1qjd n ALA 385 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 1qjd n ALA 385 Cb 0.00 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.18 1qjd n ALA 385 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1qjd s ILE 386 N -2.09 2.25 -0.12 0.00 -4.36 -0.83 -4.62 121.20 111.43 1qjd s ILE 386 Ca 0.72 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 59.33 1qjd s ILE 386 Cb -0.30 -3.00 -0.03 0.00 1.25 0.00 0.00 42.46 40.39 1qjd s ILE 386 CO 0.52 -0.00 -0.06 -0.76 0.24 0.00 0.00 174.94 174.88 1qjd s LEU 387 N -3.86 3.17 0.17 0.37 1.43 -1.26 -0.60 118.68 118.11 1qjd s LEU 387 Ca 0.40 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 1qjd s LEU 387 Cb 0.05 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1qjd s LEU 387 CO 0.22 0.25 -0.16 0.68 0.23 0.00 0.00 176.35 177.57 1qjd s VAL 388 N -0.15 1.71 0.67 -1.59 -7.23 0.16 -4.16 120.40 109.80 1qjd s VAL 388 Ca 0.02 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1qjd s VAL 388 Cb -0.13 -1.86 0.13 0.00 0.56 0.00 0.00 36.38 35.08 1qjd s VAL 388 CO 0.03 -0.43 0.91 -0.46 -0.31 0.00 0.00 175.10 174.84 1qjd n ASN 389 N 0.09 1.18 0.30 4.85 0.23 -0.00 -0.42 115.26 121.48 1qjd n ASN 389 Ca -0.12 -2.01 0.17 0.00 -0.53 0.00 0.00 54.58 52.10 1qjd n ASN 389 Cb 0.58 -0.60 0.92 0.00 -2.08 0.00 0.00 39.78 38.60 1qjd n ASN 389 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1qjd h ARG 390 N 0.00 0.00 0.00 -3.83 3.08 -1.85 0.18 114.38 111.95 1qjd h ARG 390 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1qjd h ARG 390 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1qjd h ARG 390 CO 0.32 0.04 0.00 0.39 -1.07 0.00 0.00 179.97 179.65 1qjd n GLU 391 N -3.42 0.76 -1.14 0.04 4.71 -1.26 -2.17 120.64 118.16 1qjd n GLU 391 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.08 1qjd n GLU 391 Cb 0.17 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 1qjd n GLU 391 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qjd n GLY 392 N 0.60 0.76 3.67 0.62 0.00 0.62 -4.58 105.19 106.87 1qjd n GLY 392 Ca 0.19 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1qjd n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qjd s LYS 393 N -2.32 2.46 0.57 1.61 -0.14 -1.25 -3.69 119.74 116.97 1qjd s LYS 393 Ca 0.00 -0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 53.53 1qjd s LYS 393 Cb 0.00 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.63 1qjd s LYS 393 CO 0.00 0.52 1.09 1.03 -0.76 0.00 0.00 175.35 177.23 1qjd s ARG 394 N -2.37 3.32 0.00 1.68 0.52 -1.26 -0.82 118.95 120.02 1qjd s ARG 394 Ca 0.25 1.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.87 1qjd s ARG 394 Cb -0.11 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1qjd s ARG 394 CO 0.18 -0.84 0.00 1.97 0.02 0.00 0.00 175.30 176.63 1qjd n PHE 395 N -1.65 0.00 -3.51 -0.53 1.16 -1.26 -4.92 117.46 106.75 1qjd n PHE 395 Ca 0.10 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.52 1qjd n PHE 395 Cb 0.52 0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.35 1qjd n PHE 395 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1qjd s VAL 396 N 0.00 0.00 -0.40 1.97 0.11 -1.26 -5.05 120.40 115.77 1qjd s VAL 396 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1qjd s VAL 396 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1qjd s VAL 396 CO 0.00 0.00 1.96 0.21 -3.33 0.00 0.00 175.10 173.94 1qjd s ASN 397 N -1.42 5.48 0.06 3.54 2.47 -1.26 -4.84 114.94 118.97 1qjd s ASN 397 Ca -0.08 1.13 0.10 0.00 0.42 0.00 0.00 52.86 54.44 1qjd s ASN 397 Cb -0.00 -2.52 0.47 0.00 -1.45 0.00 0.00 41.25 37.75 1qjd s ASN 397 CO 0.06 -2.07 1.33 -0.62 -3.72 0.00 0.00 177.10 172.07 1qjd n GLU 398 N 8.73 0.04 -0.71 0.43 4.71 -1.26 -2.47 120.64 130.12 1qjd n GLU 398 Ca 0.25 0.41 0.00 0.00 -0.01 0.00 0.00 57.16 57.82 1qjd n GLU 398 Cb 0.49 -1.59 0.20 0.00 -1.01 0.00 0.00 31.44 29.53 1qjd n GLU 398 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1qjd n ILE 399 N -1.66 2.40 -1.62 -3.67 -5.35 -1.26 -4.88 119.36 103.31 1qjd n ILE 399 Ca 0.01 -2.96 -0.18 0.00 -0.27 0.00 0.00 62.75 59.35 1qjd n ILE 399 Cb 0.09 -0.28 0.13 0.00 -1.74 0.00 0.00 39.64 37.84 1qjd n ILE 399 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1qjd n THR 400 N -1.12 0.00 -1.39 7.28 5.66 -1.03 -1.05 114.28 122.63 1qjd n THR 400 Ca 0.27 -0.64 -0.30 0.00 -3.05 0.00 0.00 64.05 60.33 1qjd n THR 400 Cb 0.88 -1.66 0.10 0.00 -1.55 0.00 0.00 70.33 68.10 1qjd n THR 400 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1qjd s THR 401 N -2.79 3.07 0.17 1.09 -4.23 -1.26 -4.03 115.64 107.64 1qjd s THR 401 Ca 0.47 0.35 0.18 0.00 -1.18 0.00 0.00 61.69 61.51 1qjd s THR 401 Cb -0.01 -2.96 0.12 0.00 1.34 0.00 0.00 72.50 70.99 1qjd s THR 401 CO 0.33 -0.45 1.72 0.03 -0.54 0.00 0.00 174.62 175.71 1qjd h ARG 402 N -1.22 0.00 -0.15 3.99 3.08 -1.91 -0.21 114.38 117.96 1qjd h ARG 402 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1qjd h ARG 402 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1qjd h ARG 402 CO 0.56 0.40 0.05 0.38 -1.07 0.00 0.00 179.97 180.29 1qjd h ASP 403 N 0.00 0.22 -0.25 7.04 3.04 -1.92 -1.59 116.42 122.96 1qjd h ASP 403 Ca -0.00 -0.19 -0.17 0.00 -3.24 0.00 0.00 57.03 53.43 1qjd h ASP 403 Cb 0.92 -0.06 -0.00 0.00 -1.04 0.00 0.00 39.33 39.15 1qjd h ASP 403 CO 0.05 0.35 -0.47 0.11 -2.04 0.00 0.00 179.24 177.24 1qjd h LYS 404 N 0.07 0.82 -0.42 4.15 1.57 -1.88 -2.65 116.57 118.24 1qjd h LYS 404 Ca 0.05 -0.48 -0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1qjd h LYS 404 Cb 0.21 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1qjd h LYS 404 CO -0.00 1.11 0.11 0.00 -0.57 0.00 0.00 179.45 180.10 1qjd h ALA 405 N 0.81 0.56 -0.56 3.86 0.00 -1.02 -1.71 119.26 121.20 1qjd h ALA 405 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1qjd h ALA 405 Cb 1.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1qjd h ALA 405 CO 0.11 0.22 0.34 0.77 0.00 0.00 0.00 179.25 180.68 1qjd h SER 406 N 0.54 0.54 -0.72 0.00 0.02 -1.27 -1.20 113.55 111.46 1qjd h SER 406 Ca 0.13 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1qjd h SER 406 Cb 0.29 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1qjd h SER 406 CO -0.00 0.38 0.31 0.00 -1.14 0.00 0.00 176.83 176.38 1qjd h ALA 407 N 1.25 0.94 -0.16 3.77 0.00 -1.40 -1.40 119.26 122.26 1qjd h ALA 407 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qjd h ALA 407 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1qjd h ALA 407 CO -0.10 0.54 0.06 0.00 0.00 0.00 0.00 179.25 179.75 1qjd h ALA 408 N 1.15 0.20 -0.67 0.00 0.00 -0.72 -1.87 119.26 117.35 1qjd h ALA 408 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1qjd h ALA 408 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1qjd h ALA 408 CO -0.02 -0.20 0.39 0.82 0.00 0.00 0.00 179.25 180.23 1qjd h ILE 409 N 0.09 1.20 0.00 0.00 2.04 -1.11 -1.52 117.51 118.21 1qjd h ILE 409 Ca 0.05 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1qjd h ILE 409 Cb 0.18 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1qjd h ILE 409 CO -0.00 0.21 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1qjd h LEU 410 N 0.91 0.00 -0.14 1.44 3.38 -1.06 -2.04 115.31 117.81 1qjd h LEU 410 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1qjd h LEU 410 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1qjd h LEU 410 CO -0.04 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 178.05 1qjd n ALA 411 N -1.91 3.43 -1.78 1.53 0.00 -0.59 -4.44 120.51 116.76 1qjd n ALA 411 Ca -0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 1qjd n ALA 411 Cb 0.15 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1qjd n ALA 411 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qjd s GLN 412 N -2.86 3.26 -0.08 0.00 -1.52 -0.77 -4.95 119.66 112.74 1qjd s GLN 412 Ca 0.15 0.76 -0.36 0.00 -1.95 0.00 0.00 55.36 53.96 1qjd s GLN 412 Cb 0.18 -2.04 -0.13 0.00 -0.22 0.00 0.00 33.01 30.80 1qjd s GLN 412 CO 0.65 -0.82 1.77 2.41 -0.25 0.00 0.00 175.29 179.06 1qjd n THR 413 N -2.91 0.40 -0.81 -0.19 -1.04 -1.26 -1.38 114.28 107.08 1qjd n THR 413 Ca 0.07 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1qjd n THR 413 Cb 0.54 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1qjd n THR 413 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qjd n GLY 414 N 4.10 0.85 2.43 3.41 0.00 -1.26 -4.18 105.19 110.53 1qjd n GLY 414 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1qjd n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qjd n LYS 415 N -2.16 -1.86 -4.02 1.61 4.01 -0.48 -4.97 118.16 110.29 1qjd n LYS 415 Ca 0.00 0.94 -0.10 0.00 -0.51 0.00 0.00 58.31 58.65 1qjd n LYS 415 Cb 0.00 -5.61 -0.07 0.00 -0.51 0.00 0.00 35.03 28.84 1qjd n LYS 415 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1qjd s SER 416 N -2.06 0.05 0.17 4.39 1.04 -1.24 -4.58 113.70 111.47 1qjd s SER 416 Ca 0.01 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1qjd s SER 416 Cb -0.00 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1qjd s SER 416 CO 0.01 -0.92 0.17 0.00 0.98 0.00 0.00 173.24 173.48 1qjd n ALA 417 N -0.25 0.22 -3.51 5.32 0.00 -0.42 -4.65 120.51 117.22 1qjd n ALA 417 Ca -0.04 -0.95 -0.26 0.00 0.00 0.00 0.00 53.44 52.18 1qjd n ALA 417 Cb 0.63 0.77 -0.17 0.00 0.00 0.00 0.00 19.45 20.68 1qjd n ALA 417 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1qjd s TYR 418 N -3.03 1.66 0.19 0.00 1.51 0.44 -0.10 117.35 118.02 1qjd s TYR 418 Ca 0.19 -0.67 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 1qjd s TYR 418 Cb 0.01 -1.21 -0.08 0.00 -0.11 0.00 0.00 41.96 40.56 1qjd s TYR 418 CO 0.13 -0.35 1.24 -0.51 -1.11 0.00 0.00 175.55 174.96 1qjd s LEU 419 N 0.77 4.43 -0.07 -1.29 1.43 0.13 -0.67 118.68 123.41 1qjd s LEU 419 Ca -0.12 2.30 0.04 0.00 -1.03 0.00 0.00 54.13 55.32 1qjd s LEU 419 Cb -0.16 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 1qjd s LEU 419 CO 0.02 -0.44 -0.21 -0.63 0.23 0.00 0.00 176.35 175.33 1qjd s ILE 420 N 0.04 1.76 0.36 -0.59 -1.09 0.24 -1.72 121.20 120.19 1qjd s ILE 420 Ca 0.55 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 1qjd s ILE 420 Cb -0.34 -1.52 0.03 0.00 -1.58 0.00 0.00 42.46 39.05 1qjd s ILE 420 CO 0.37 0.49 0.65 0.72 -1.23 0.00 0.00 174.94 175.94 1qjd s PHE 421 N 0.23 0.48 0.00 3.97 -0.71 -0.97 -1.96 117.98 119.03 1qjd s PHE 421 Ca -0.12 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 54.81 1qjd s PHE 421 Cb -0.15 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 1qjd s PHE 421 CO 0.05 -1.35 0.00 -0.40 -1.34 0.00 0.00 175.22 172.18 1qjd n ASP 422 N -1.30 1.57 0.25 1.98 5.75 -1.26 -1.01 116.55 122.52 1qjd n ASP 422 Ca -0.04 -0.80 0.15 0.00 -0.01 0.00 0.00 54.79 54.10 1qjd n ASP 422 Cb 0.61 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.22 1qjd n ASP 422 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1qjd h ASP 423 N 0.00 0.00 -0.18 -1.12 3.32 -0.76 -1.69 116.42 115.99 1qjd h ASP 423 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1qjd h ASP 423 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1qjd h ASP 423 CO 0.00 0.00 -0.56 0.77 -1.72 0.00 0.00 179.24 177.73 1qjd h SER 424 N 0.00 0.80 -0.41 6.45 4.64 -1.91 0.03 113.55 123.15 1qjd h SER 424 Ca 0.00 -0.59 -0.05 0.00 -0.47 0.00 0.00 61.79 60.67 1qjd h SER 424 Cb 0.64 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1qjd h SER 424 CO 0.00 1.25 0.05 0.58 -0.87 0.00 0.00 176.83 177.84 1qjd h VAL 425 N 0.39 1.25 -0.32 0.95 2.07 -1.86 -2.28 116.25 116.45 1qjd h VAL 425 Ca -0.02 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1qjd h VAL 425 Cb 1.18 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1qjd h VAL 425 CO 0.12 0.31 0.05 -0.09 0.02 0.00 0.00 177.57 177.98 1qjd h ARG 426 N 0.53 0.15 0.00 1.57 2.43 -1.22 -1.56 114.38 116.28 1qjd h ARG 426 Ca 0.12 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1qjd h ARG 426 Cb 0.41 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1qjd h ARG 426 CO 0.01 0.10 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.33 1qjd h LYS 427 N 0.16 0.00 0.00 0.20 1.63 -0.86 -2.92 116.57 114.77 1qjd h LYS 427 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1qjd h LYS 427 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1qjd h LYS 427 CO -0.21 0.02 -0.24 -1.13 -3.45 0.00 0.00 179.45 174.44 1qjd n SER 428 N -3.14 0.49 -3.46 4.20 3.41 -0.60 -4.62 113.62 109.90 1qjd n SER 428 Ca -0.01 0.29 -0.25 0.00 -0.26 0.00 0.00 58.87 58.65 1qjd n SER 428 Cb 0.25 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 1qjd n SER 428 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1qjd s LEU 429 N -3.72 0.44 0.61 1.04 2.96 -1.10 -4.52 118.68 114.38 1qjd s LEU 429 Ca 0.11 -1.53 0.36 0.00 -0.22 0.00 0.00 54.13 52.84 1qjd s LEU 429 Cb 0.16 -0.06 2.00 0.00 0.50 0.00 0.00 46.19 48.79 1qjd s LEU 429 CO 0.62 -0.36 2.27 0.77 -1.32 0.00 0.00 176.35 178.33 1qjd h SER 430 N 7.71 0.00 -0.18 3.68 4.64 -1.24 0.84 113.55 129.01 1qjd h SER 430 Ca -0.06 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1qjd h SER 430 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1qjd h SER 430 CO 0.32 0.02 0.15 0.50 -0.87 0.00 0.00 176.83 176.95 1qjd h LYS 431 N 0.00 0.00 0.00 4.77 1.63 -1.75 -0.90 116.57 120.32 1qjd h LYS 431 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1qjd h LYS 431 Cb 0.07 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1qjd h LYS 431 CO 0.00 0.00 -0.11 0.82 -3.45 0.00 0.00 179.45 176.71 1qjd h ILE 432 N 0.00 0.90 0.00 2.00 2.04 -1.12 -1.16 117.51 120.17 1qjd h ILE 432 Ca 0.09 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1qjd h ILE 432 Cb 0.39 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1qjd h ILE 432 CO -0.00 0.11 -0.07 0.44 0.00 0.00 0.00 178.15 178.63 1qjd h ASP 433 N 0.00 0.00 -0.25 1.72 3.32 -1.33 -1.30 116.42 118.59 1qjd h ASP 433 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1qjd h ASP 433 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1qjd h ASP 433 CO 0.01 0.07 -0.30 0.11 -1.72 0.00 0.00 179.24 177.42 1qjd h LYS 434 N 0.00 0.75 -0.30 3.56 1.57 -1.31 -0.19 116.57 120.64 1qjd h LYS 434 Ca -0.00 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 1qjd h LYS 434 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1qjd h LYS 434 CO 0.01 0.95 -0.30 1.88 -0.57 0.00 0.00 179.45 181.42 1qjd h TYR 435 N 0.64 0.74 -0.23 -1.35 0.05 -1.23 -0.84 116.97 114.75 1qjd h TYR 435 Ca 0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 1qjd h TYR 435 Cb 0.82 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1qjd h TYR 435 CO 0.04 0.87 0.09 0.82 -1.05 0.00 0.00 178.16 178.94 1qjd h ILE 436 N 0.55 1.16 0.00 -2.88 2.04 -1.28 -1.88 117.51 115.22 1qjd h ILE 436 Ca 0.07 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1qjd h ILE 436 Cb 0.79 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1qjd h ILE 436 CO 0.07 0.16 -0.10 1.23 0.00 0.00 0.00 178.15 179.51 1qjd h GLY 437 N 0.22 0.00 2.00 5.37 0.00 -0.76 -0.22 103.07 109.68 1qjd h GLY 437 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1qjd h GLY 437 CO -0.01 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.43 1qjd n LEU 438 N -3.73 0.07 0.00 3.11 7.94 -0.35 -4.88 117.00 119.17 1qjd n LEU 438 Ca -0.02 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 1qjd n LEU 438 Cb 0.20 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.66 1qjd n LEU 438 CO 0.30 -0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 1qjd n GLY 439 N 0.92 0.50 0.91 -3.96 0.00 -0.09 -4.97 105.19 98.50 1qjd n GLY 439 Ca 0.06 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.26 1qjd n GLY 439 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qjd n VAL 440 N -2.94 1.56 -3.45 1.61 0.24 -0.86 -4.72 118.33 109.76 1qjd n VAL 440 Ca 0.00 -1.31 -0.26 0.00 -2.04 0.00 0.00 64.34 60.72 1qjd n VAL 440 Cb 0.06 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.54 1qjd n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qjd n ALA 441 N 0.33 3.27 -1.43 2.33 0.00 -1.25 -4.45 120.51 119.30 1qjd n ALA 441 Ca 0.18 -4.05 -0.36 0.00 0.00 0.00 0.00 53.44 49.21 1qjd n ALA 441 Cb 0.66 -0.88 0.09 0.00 0.00 0.00 0.00 19.45 19.33 1qjd n ALA 441 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qjd n PRO 442 N 1.58 0.65 -3.94 0.00 -0.04 -1.14 -4.66 135.00 127.45 1qjd n PRO 442 Ca 0.25 0.28 -0.08 0.00 -0.04 0.00 0.00 63.50 63.91 1qjd n PRO 442 Cb 0.44 -2.40 -0.08 0.00 -0.04 0.00 0.00 33.50 31.43 1qjd n PRO 442 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1qjd s THR 443 N -1.73 0.15 0.08 0.52 -1.32 -1.26 -1.45 115.64 110.63 1qjd s THR 443 Ca 0.77 -1.40 -0.26 0.00 -1.21 0.00 0.00 61.69 59.59 1qjd s THR 443 Cb -0.35 -1.48 0.08 0.00 -1.51 0.00 0.00 72.50 69.25 1qjd s THR 443 CO 0.46 -0.69 0.85 0.00 -2.21 0.00 0.00 174.62 173.04 1qjd s ALA 444 N -3.90 -1.71 -2.30 11.08 0.00 -0.68 -4.93 121.76 119.33 1qjd s ALA 444 Ca 0.08 0.63 0.23 0.00 0.00 0.00 0.00 51.96 52.90 1qjd s ALA 444 Cb 0.06 0.57 0.93 0.00 0.00 0.00 0.00 23.12 24.67 1qjd s ALA 444 CO -0.09 -0.81 1.65 -0.40 0.00 0.00 0.00 175.76 176.11 1qjd n ASP 445 N -0.34 1.38 -3.77 0.00 5.68 -1.26 -1.56 116.55 116.68 1qjd n ASP 445 Ca -0.09 -1.59 -0.13 0.00 -0.50 0.00 0.00 54.79 52.49 1qjd n ASP 445 Cb 0.62 -0.06 -0.08 0.00 -1.14 0.00 0.00 41.12 40.45 1qjd n ASP 445 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1qjd s SER 446 N -1.71 -0.15 0.46 -1.12 1.04 -1.26 -4.82 113.70 106.14 1qjd s SER 446 Ca 0.34 -0.01 0.15 0.00 0.48 0.00 0.00 55.95 56.91 1qjd s SER 446 Cb 0.18 0.31 1.06 0.00 0.10 0.00 0.00 66.02 67.68 1qjd s SER 446 CO 0.28 -0.48 2.02 -0.07 0.98 0.00 0.00 173.24 175.97 1qjd h LEU 447 N 3.75 0.00 -0.54 2.42 3.38 -1.92 -1.95 115.31 120.44 1qjd h LEU 447 Ca -0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1qjd h LEU 447 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1qjd h LEU 447 CO 0.42 0.16 -0.02 0.58 0.09 0.00 0.00 178.44 179.66 1qjd h VAL 448 N 0.00 1.27 -0.45 1.22 2.07 -1.96 -0.47 116.25 117.92 1qjd h VAL 448 Ca -0.00 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1qjd h VAL 448 Cb 0.28 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1qjd h VAL 448 CO 0.02 0.40 -0.07 0.11 0.02 0.00 0.00 177.57 178.05 1qjd h LYS 449 N 0.84 0.85 -0.42 1.57 1.57 -1.79 -1.92 116.57 117.28 1qjd h LYS 449 Ca 0.15 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1qjd h LYS 449 Cb 0.56 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1qjd h LYS 449 CO 0.03 0.94 0.27 1.25 -0.57 0.00 0.00 179.45 181.37 1qjd h LEU 450 N 0.69 0.46 -0.54 2.94 6.46 -1.30 0.62 115.31 124.63 1qjd h LEU 450 Ca 0.12 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.80 1qjd h LEU 450 Cb 0.60 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1qjd h LEU 450 CO 0.04 0.33 0.04 1.23 -0.62 0.00 0.00 178.44 179.46 1qjd h GLY 451 N 0.55 0.99 1.91 3.75 0.00 -1.00 0.12 103.07 109.39 1qjd h GLY 451 Ca 0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1qjd h GLY 451 CO -0.05 0.65 -0.11 1.70 0.00 0.00 0.00 176.54 178.73 1qjd h LYS 452 N 0.80 0.12 -0.25 4.80 3.64 -1.04 0.43 116.57 125.07 1qjd h LYS 452 Ca 0.16 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 1qjd h LYS 452 Cb 0.48 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1qjd h LYS 452 CO 0.02 0.23 -0.62 0.52 -2.27 0.00 0.00 179.45 177.34 1qjd h MET 453 N 0.11 0.85 -0.12 1.90 2.86 0.13 -3.34 114.93 117.33 1qjd h MET 453 Ca 0.03 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1qjd h MET 453 Cb 0.27 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1qjd h MET 453 CO 0.02 1.21 0.00 0.39 1.06 0.00 0.00 176.91 179.59 1qjd n GLU 454 N -3.98 1.74 -2.67 1.72 -0.58 -0.07 -4.96 120.64 111.84 1qjd n GLU 454 Ca -0.05 -1.72 -0.06 0.00 -0.42 0.00 0.00 57.16 54.91 1qjd n GLU 454 Cb 0.67 -1.36 0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1qjd n GLU 454 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qjd n GLY 455 N 1.04 0.55 3.55 0.62 0.00 0.40 -5.04 105.19 106.31 1qjd n GLY 455 Ca 0.12 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1qjd n GLY 455 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qjd s ILE 456 N -2.97 3.67 -0.22 -0.61 1.01 0.12 -4.81 121.20 117.39 1qjd s ILE 456 Ca 0.12 -0.48 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 1qjd s ILE 456 Cb -0.05 -2.51 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 1qjd s ILE 456 CO 0.15 0.58 2.11 -0.67 0.00 0.00 0.00 174.94 177.11 1qjd n ASP 457 N 2.48 2.96 -0.20 3.58 -0.08 -0.92 -3.85 116.55 120.51 1qjd n ASP 457 Ca -0.18 0.51 -0.09 0.00 -1.51 0.00 0.00 54.79 53.53 1qjd n ASP 457 Cb 0.53 -1.40 0.02 0.00 2.34 0.00 0.00 41.12 42.61 1qjd n ASP 457 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1qjd h GLY 458 N 12.38 1.01 1.27 0.27 0.00 -1.84 -0.58 103.07 115.57 1qjd h GLY 458 Ca -0.39 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.12 1qjd h GLY 458 CO 0.98 0.61 -0.51 0.07 0.00 0.00 0.00 176.54 177.68 1qjd h LYS 459 N 0.83 0.78 -0.71 4.80 2.10 -1.90 -1.98 116.57 120.50 1qjd h LYS 459 Ca 0.18 -0.47 -0.07 0.00 -2.00 0.00 0.00 60.65 58.28 1qjd h LYS 459 Cb 0.39 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 1qjd h LYS 459 CO 0.01 1.10 0.16 0.00 -2.00 0.00 0.00 179.45 178.72 1qjd h ALA 460 N 0.81 0.95 -0.37 0.07 0.00 -1.84 -2.22 119.26 116.66 1qjd h ALA 460 Ca 0.02 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1qjd h ALA 460 Cb 1.09 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1qjd h ALA 460 CO 0.11 0.67 0.12 1.25 0.00 0.00 0.00 179.25 181.40 1qjd h LEU 461 N 1.07 0.12 -0.07 0.00 5.85 -0.89 -0.24 115.31 121.16 1qjd h LEU 461 Ca 0.22 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1qjd h LEU 461 Cb 0.39 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1qjd h LEU 461 CO 0.00 0.11 0.01 0.74 -0.34 0.00 0.00 178.44 178.96 1qjd h THR 462 N 0.27 0.97 -0.37 1.05 2.02 -1.18 -1.95 112.91 113.72 1qjd h THR 462 Ca 0.17 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.25 1qjd h THR 462 Cb 0.15 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1qjd h THR 462 CO -0.18 0.01 -0.14 -0.33 0.37 0.00 0.00 175.52 175.25 1qjd h GLU 463 N 0.04 0.68 -0.33 6.66 5.08 -1.05 -0.93 114.58 124.72 1qjd h GLU 463 Ca 0.03 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1qjd h GLU 463 Cb 0.02 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1qjd h GLU 463 CO -0.04 0.79 0.11 1.15 -1.00 0.00 0.00 179.01 180.02 1qjd h THR 464 N 0.61 0.89 -0.30 1.13 2.02 -0.80 0.21 112.91 116.69 1qjd h THR 464 Ca 0.10 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.11 1qjd h THR 464 Cb 0.59 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1qjd h THR 464 CO 0.04 0.04 -0.17 0.58 0.37 0.00 0.00 175.52 176.39 1qjd h VAL 465 N 0.24 1.30 -0.46 3.16 2.07 -1.12 0.31 116.25 121.75 1qjd h VAL 465 Ca 0.15 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.42 1qjd h VAL 465 Cb 0.13 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1qjd h VAL 465 CO -0.16 0.41 0.24 0.00 0.02 0.00 0.00 177.57 178.08 1qjd h ALA 466 N 0.74 0.58 -0.51 1.67 0.00 -0.97 0.24 119.26 121.01 1qjd h ALA 466 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1qjd h ALA 466 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1qjd h ALA 466 CO 0.05 -0.10 0.12 -0.09 0.00 0.00 0.00 179.25 179.23 1qjd h ARG 467 N 0.48 0.82 -0.54 0.00 2.43 -0.32 -2.25 114.38 115.01 1qjd h ARG 467 Ca 0.19 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1qjd h ARG 467 Cb 0.08 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1qjd h ARG 467 CO -0.12 0.79 0.34 -0.92 -1.51 0.00 0.00 179.97 178.55 1qjd h TYR 468 N 0.71 0.69 -0.81 2.20 3.20 0.11 -2.03 116.97 121.05 1qjd h TYR 468 Ca 0.16 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.14 1qjd h TYR 468 Cb 0.34 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 1qjd h TYR 468 CO 0.02 0.45 0.53 -0.91 -1.64 0.00 0.00 178.16 176.61 1qjd h ASN 469 N 0.72 0.64 0.22 -2.11 2.35 -0.28 -1.12 115.58 116.00 1qjd h ASN 469 Ca 0.19 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.85 1qjd h ASN 469 Cb -0.05 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1qjd h ASN 469 CO -0.04 0.37 -0.44 -1.28 -1.65 0.00 0.00 177.43 174.39 1qjd h SER 470 N 0.71 0.30 0.06 5.81 0.87 -0.81 -1.61 113.55 118.87 1qjd h SER 470 Ca 0.38 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.65 1qjd h SER 470 Cb 0.51 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1qjd h SER 470 CO -0.15 0.70 -0.55 -0.07 -0.53 0.00 0.00 176.83 176.24 1qjd h LEU 471 N 0.23 0.58 -0.50 2.23 3.38 -0.60 -0.97 115.31 119.66 1qjd h LEU 471 Ca 0.02 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1qjd h LEU 471 Cb 0.88 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1qjd h LEU 471 CO 0.07 1.01 0.33 0.58 0.09 0.00 0.00 178.44 180.53 1qjd h VAL 472 N 0.40 1.13 -0.33 1.22 2.07 -0.89 0.29 116.25 120.14 1qjd h VAL 472 Ca 0.01 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1qjd h VAL 472 Cb 1.09 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1qjd h VAL 472 CO 0.10 0.12 -0.38 0.77 0.02 0.00 0.00 177.57 178.21 1qjd h SER 473 N 0.68 0.83 0.92 0.57 4.64 -1.20 -2.22 113.55 117.76 1qjd h SER 473 Ca 0.19 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1qjd h SER 473 Cb -0.08 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.78 1qjd h SER 473 CO -0.04 1.11 0.00 0.77 -0.87 0.00 0.00 176.83 177.80 1qjd h SER 474 N 0.65 0.00 0.00 4.97 4.64 -0.71 -3.46 113.55 119.64 1qjd h SER 474 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1qjd h SER 474 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1qjd h SER 474 CO 0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1qjd n GLY 475 N -0.03 0.50 3.03 -0.77 0.00 0.96 -5.03 105.19 103.84 1qjd n GLY 475 Ca 0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1qjd n GLY 475 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qjd s LYS 476 N -0.57 0.18 -0.91 1.61 -2.85 -0.74 -4.99 119.74 111.45 1qjd s LYS 476 Ca 0.00 0.67 -0.19 0.00 -1.00 0.00 0.00 55.97 55.45 1qjd s LYS 476 Cb 0.00 -0.07 0.13 0.00 -2.06 0.00 0.00 37.83 35.83 1qjd s LYS 476 CO 0.00 -0.24 1.12 0.34 0.10 0.00 0.00 175.35 176.67 1qjd s ASP 477 N 1.95 6.59 0.00 0.03 2.15 -1.26 -4.72 116.67 121.41 1qjd s ASP 477 Ca -0.03 -1.96 0.24 0.00 0.43 0.00 0.00 52.55 51.23 1qjd s ASP 477 Cb -0.11 -2.40 1.03 0.00 -0.30 0.00 0.00 42.92 41.13 1qjd s ASP 477 CO -0.09 -1.09 1.77 0.35 -0.17 0.00 0.00 175.17 175.94 1qjd n THR 478 N 5.55 0.34 -0.03 1.71 -2.24 -1.26 -0.98 114.28 117.37 1qjd n THR 478 Ca 0.22 0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.88 1qjd n THR 478 Cb 0.49 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 67.92 1qjd n THR 478 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1qjd h ASP 479 N 0.00 0.23 0.00 3.42 3.32 -2.01 -3.42 116.42 117.96 1qjd h ASP 479 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1qjd h ASP 479 Cb 0.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1qjd h ASP 479 CO 0.00 1.44 0.00 0.49 -1.72 0.00 0.00 179.24 179.45 1qjd n PHE 480 N -4.20 0.00 -2.24 4.55 3.72 -1.24 -5.02 117.46 113.03 1qjd n PHE 480 Ca -0.22 -0.15 -0.17 0.00 -0.05 0.00 0.00 57.45 56.86 1qjd n PHE 480 Cb 0.76 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.27 1qjd n PHE 480 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1qjd n GLU 481 N -0.15 -1.31 -1.68 -1.08 2.13 -0.15 -4.31 120.64 114.09 1qjd n GLU 481 Ca 0.00 0.83 -0.44 0.00 0.66 0.00 0.00 57.16 58.21 1qjd n GLU 481 Cb 0.26 -5.23 -0.04 0.00 0.27 0.00 0.00 31.44 26.71 1qjd n GLU 481 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1qjd n ARG 482 N -2.59 2.60 0.08 5.31 0.63 -1.26 -4.85 116.66 116.58 1qjd n ARG 482 Ca -0.19 0.95 0.13 0.00 -0.92 0.00 0.00 57.85 57.82 1qjd n ARG 482 Cb 0.64 -2.84 0.43 0.00 0.45 0.00 0.00 32.46 31.15 1qjd n ARG 482 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1qjd n PRO 483 N 6.22 0.22 -3.89 -0.14 -0.04 -1.26 -4.35 135.00 131.75 1qjd n PRO 483 Ca 0.20 0.17 -0.27 0.00 -0.04 0.00 0.00 63.50 63.56 1qjd n PRO 483 Cb 0.35 -1.75 -0.17 0.00 -0.04 0.00 0.00 33.50 31.90 1qjd n PRO 483 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1qjd s ASN 484 N -4.25 2.21 -0.65 3.54 3.84 -1.26 -5.07 114.94 113.30 1qjd s ASN 484 Ca 0.11 -0.33 0.05 0.00 0.21 0.00 0.00 52.86 52.90 1qjd s ASN 484 Cb 0.14 -0.82 0.17 0.00 -0.55 0.00 0.00 41.25 40.19 1qjd s ASN 484 CO 0.59 -0.13 0.46 -0.76 -2.79 0.00 0.00 177.10 174.46 1qjd s LEU 485 N 1.72 4.22 0.20 3.21 1.43 -1.26 -4.97 118.68 123.24 1qjd s LEU 485 Ca 0.05 -3.68 0.11 0.00 -1.03 0.00 0.00 54.13 49.57 1qjd s LEU 485 Cb -0.13 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1qjd s LEU 485 CO -0.08 -0.11 1.38 1.55 0.23 0.00 0.00 176.35 179.33 1qjd h PRO 486 N 5.50 0.00 -3.03 1.29 0.13 -1.90 -3.47 132.00 130.52 1qjd h PRO 486 Ca 0.15 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1qjd h PRO 486 Cb 0.79 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.69 1qjd h PRO 486 CO 0.66 0.77 -0.32 0.50 -0.23 0.00 0.00 178.00 179.38 1qjd s ARG 487 N -2.90 0.53 0.26 0.86 3.52 -1.26 -5.04 118.95 114.92 1qjd s ARG 487 Ca 0.02 0.07 -0.22 0.00 -0.13 0.00 0.00 55.73 55.47 1qjd s ARG 487 Cb 0.09 0.24 -0.09 0.00 -1.56 0.00 0.00 34.95 33.64 1qjd s ARG 487 CO 0.78 -0.12 0.80 0.00 -0.81 0.00 0.00 175.30 175.96 1qjd s ALA 488 N -0.69 3.33 -1.16 6.12 0.00 -1.26 -4.94 121.76 123.16 1qjd s ALA 488 Ca -0.08 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 1qjd s ALA 488 Cb -0.04 -2.95 0.18 0.00 0.00 0.00 0.00 23.12 20.31 1qjd s ALA 488 CO 0.02 0.27 1.36 -0.51 0.00 0.00 0.00 175.76 176.90 1qjd s LEU 489 N -2.07 5.20 0.00 0.00 1.43 -1.26 -4.60 118.68 117.39 1qjd s LEU 489 Ca 0.46 -2.94 0.00 0.00 -1.03 0.00 0.00 54.13 50.62 1qjd s LEU 489 Cb -0.17 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1qjd s LEU 489 CO 0.22 -0.73 0.30 -0.46 0.23 0.00 0.00 176.35 175.90 1qjd n ASN 490 N 5.44 0.00 -4.43 2.29 2.04 -1.26 -4.88 115.26 114.46 1qjd n ASN 490 Ca 0.34 -1.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.13 1qjd n ASN 490 Cb 0.43 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.55 1qjd n ASN 490 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1qjd s GLU 491 N 0.00 3.58 5.05 -3.83 2.12 -1.26 -5.04 118.70 119.33 1qjd s GLU 491 Ca 0.00 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1qjd s GLU 491 Cb 0.00 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1qjd s GLU 491 CO 0.00 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 1qjd n GLY 492 N 4.16 1.89 3.96 -1.50 0.00 -1.26 -0.93 105.19 111.52 1qjd n GLY 492 Ca -0.17 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 1qjd n GLY 492 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qjd s ASN 493 N -4.00 4.27 0.04 1.61 0.01 -1.26 -4.80 114.94 110.81 1qjd s ASN 493 Ca 0.00 0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.22 1qjd s ASN 493 Cb 0.00 -0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.20 1qjd s ASN 493 CO 0.00 -1.92 -0.13 -0.31 -1.51 0.00 0.00 177.10 173.22 1qjd s TYR 494 N -3.30 2.69 0.10 2.20 2.02 -0.60 -2.58 117.35 117.88 1qjd s TYR 494 Ca 0.66 -0.17 0.08 0.00 -0.37 0.00 0.00 57.07 57.26 1qjd s TYR 494 Cb -0.07 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1qjd s TYR 494 CO 0.46 0.32 -0.20 0.71 -1.57 0.00 0.00 175.55 175.27 1qjd s TYR 495 N -1.01 1.74 -0.03 2.71 1.51 -0.18 -1.68 117.35 120.42 1qjd s TYR 495 Ca 0.17 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1qjd s TYR 495 Cb -0.11 -0.96 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1qjd s TYR 495 CO 0.08 0.19 -0.12 0.00 -1.11 0.00 0.00 175.55 174.59 1qjd s ALA 496 N -1.18 1.11 -0.12 3.71 0.00 -0.53 -2.29 121.76 122.46 1qjd s ALA 496 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1qjd s ALA 496 Cb -0.10 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1qjd s ALA 496 CO 0.04 0.21 -0.11 0.42 0.00 0.00 0.00 175.76 176.33 1qjd s ILE 497 N 0.01 1.29 0.05 0.00 1.01 -0.70 -2.87 121.20 119.98 1qjd s ILE 497 Ca -0.01 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1qjd s ILE 497 Cb -0.08 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1qjd s ILE 497 CO 0.01 0.41 1.19 -0.70 0.00 0.00 0.00 174.94 175.84 1qjd s GLU 498 N 1.52 4.43 0.07 2.79 2.12 -1.26 -0.69 118.70 127.68 1qjd s GLU 498 Ca 0.03 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.13 1qjd s GLU 498 Cb -0.13 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1qjd s GLU 498 CO -0.08 -0.26 -0.08 0.14 -0.54 0.00 0.00 175.26 174.43 1qjd s VAL 499 N 1.17 0.71 0.05 3.70 -7.23 0.86 -1.25 120.40 118.41 1qjd s VAL 499 Ca 0.58 -1.44 -0.22 0.00 -1.81 0.00 0.00 61.98 59.09 1qjd s VAL 499 Cb -0.28 -1.08 0.05 0.00 0.56 0.00 0.00 36.38 35.63 1qjd s VAL 499 CO 0.28 -0.54 0.52 0.28 -0.31 0.00 0.00 175.10 175.34 1qjd s THR 500 N -2.18 0.03 0.50 5.32 -1.32 -0.28 -1.30 115.64 116.41 1qjd s THR 500 Ca -0.01 -0.24 -0.23 0.00 -1.21 0.00 0.00 61.69 60.01 1qjd s THR 500 Cb -0.05 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.90 1qjd s THR 500 CO -0.01 -0.13 1.31 -2.84 -2.21 0.00 0.00 174.62 170.74 1qjd s PRO 501 N -2.53 3.45 0.09 7.08 0.02 -1.12 -0.31 135.00 141.68 1qjd s PRO 501 Ca -0.05 2.14 0.05 0.00 0.02 0.00 0.00 61.00 63.17 1qjd s PRO 501 Cb -0.01 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 1qjd s PRO 501 CO -0.02 -0.91 -0.14 0.20 -0.33 0.00 0.00 177.00 175.79 1qjd s GLY 502 N -0.97 0.93 0.06 0.52 0.00 -0.27 -4.70 107.32 102.89 1qjd s GLY 502 Ca 0.67 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 1qjd s GLY 502 CO 0.46 -1.12 1.07 0.14 0.00 0.00 0.00 173.10 173.64 1qjd s VAL 503 N -1.53 4.40 0.00 1.40 1.01 0.81 -0.46 120.40 126.03 1qjd s VAL 503 Ca 0.01 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1qjd s VAL 503 Cb -0.08 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1qjd s VAL 503 CO 0.02 0.18 0.00 1.57 0.00 0.00 0.00 175.10 176.87 1qjd n HIS 504 N 3.55 0.00 -3.73 5.22 -0.00 0.21 -1.69 115.22 118.78 1qjd n HIS 504 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.65 1qjd n HIS 504 Cb 0.49 0.03 -0.10 0.00 -0.00 0.00 0.00 29.99 30.40 1qjd n HIS 504 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1qjd s HIS 505 N -1.74 -0.45 -0.36 1.57 5.04 -1.06 -4.82 115.29 113.47 1qjd s HIS 505 Ca 0.00 1.07 -0.09 0.00 -1.54 0.00 0.00 55.06 54.50 1qjd s HIS 505 Cb 0.00 0.16 0.03 0.00 0.04 0.00 0.00 32.58 32.81 1qjd s HIS 505 CO 0.00 -0.22 0.16 0.95 -2.34 0.00 0.00 174.74 173.29 1qjd s THR 506 N 0.36 4.28 0.04 0.89 -4.23 -1.26 -0.60 115.64 115.12 1qjd s THR 506 Ca -0.01 -0.92 0.28 0.00 -1.18 0.00 0.00 61.69 59.86 1qjd s THR 506 Cb -0.04 -3.38 0.31 0.00 1.34 0.00 0.00 72.50 70.74 1qjd s THR 506 CO -0.01 -0.19 1.86 0.24 -0.54 0.00 0.00 174.62 175.98 1qjd h MET 507 N 8.35 0.00 -7.63 3.99 2.86 -1.64 -3.45 114.93 117.41 1qjd h MET 507 Ca -0.25 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 56.93 1qjd h MET 507 Cb 1.10 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.89 1qjd h MET 507 CO 0.64 0.11 0.35 0.20 1.06 0.00 0.00 176.91 179.27 1qjd s GLY 508 N -4.23 1.75 0.00 8.32 0.00 -1.18 -3.92 107.32 108.05 1qjd s GLY 508 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1qjd s GLY 508 CO 0.60 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.77 1qjd n GLY 509 N -3.48 -0.59 3.77 0.20 0.00 -0.82 -4.15 105.19 100.12 1qjd n GLY 509 Ca 0.14 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 1qjd n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qjd s VAL 510 N -2.97 2.70 -0.21 1.61 1.01 0.57 -1.24 120.40 121.87 1qjd s VAL 510 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1qjd s VAL 510 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1qjd s VAL 510 CO 0.00 0.11 1.24 -0.32 0.00 0.00 0.00 175.10 176.14 1qjd s MET 511 N -2.10 4.15 0.24 2.72 1.75 -0.29 -1.16 119.30 124.61 1qjd s MET 511 Ca 0.54 1.50 0.11 0.00 -1.25 0.00 0.00 55.69 56.60 1qjd s MET 511 Cb -0.38 -3.78 -0.05 0.00 2.84 0.00 0.00 34.83 33.46 1qjd s MET 511 CO 0.49 -0.81 -0.20 0.96 -0.65 0.00 0.00 175.02 174.80 1qjd s ILE 512 N 3.71 2.32 0.19 10.11 -4.36 -1.26 -1.47 121.20 130.44 1qjd s ILE 512 Ca 0.54 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1qjd s ILE 512 Cb -0.19 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.36 1qjd s ILE 512 CO 0.16 -0.35 0.26 -0.90 0.24 0.00 0.00 174.94 174.35 1qjd n ASP 513 N -0.31 0.39 0.00 4.36 5.68 -0.67 -4.93 116.55 121.07 1qjd n ASP 513 Ca -0.08 -1.32 0.09 0.00 -0.50 0.00 0.00 54.79 52.98 1qjd n ASP 513 Cb 0.59 -0.17 0.45 0.00 -1.14 0.00 0.00 41.12 40.86 1qjd n ASP 513 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qjd n THR 514 N -1.72 0.45 -0.49 2.12 -2.24 -1.26 -1.82 114.28 109.32 1qjd n THR 514 Ca 0.04 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1qjd n THR 514 Cb 0.16 -0.82 0.32 0.00 -2.10 0.00 0.00 70.33 67.89 1qjd n THR 514 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qjd n LYS 515 N -1.27 3.21 -1.81 -0.78 4.76 -1.26 -4.92 118.16 116.10 1qjd n LYS 515 Ca 0.09 -2.70 -0.19 0.00 -2.87 0.00 0.00 58.31 52.63 1qjd n LYS 515 Cb 0.14 -1.69 -0.06 0.00 -1.84 0.00 0.00 35.03 31.58 1qjd n LYS 515 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qjd n ALA 516 N 1.19 -0.38 -2.56 7.82 0.00 -0.75 -4.62 120.51 121.21 1qjd n ALA 516 Ca 0.23 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 1qjd n ALA 516 Cb 0.73 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1qjd n ALA 516 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qjd s GLU 517 N -4.05 4.60 0.30 0.00 2.02 -1.26 -1.41 118.70 118.90 1qjd s GLU 517 Ca 0.00 1.44 -0.29 0.00 0.02 0.00 0.00 54.97 56.15 1qjd s GLU 517 Cb 0.00 -3.43 -0.09 0.00 0.10 0.00 0.00 34.13 30.71 1qjd s GLU 517 CO 0.00 0.03 1.07 0.08 0.02 0.00 0.00 175.26 176.46 1qjd s VAL 518 N 0.68 3.59 0.14 2.63 1.01 -0.29 -1.67 120.40 126.48 1qjd s VAL 518 Ca 0.51 1.53 0.11 0.00 0.00 0.00 0.00 61.98 64.12 1qjd s VAL 518 Cb -0.22 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1qjd s VAL 518 CO 0.29 0.31 -0.26 -0.04 0.00 0.00 0.00 175.10 175.40 1qjd s MET 519 N -1.60 1.42 0.62 2.72 -1.94 -0.54 -1.14 119.30 118.84 1qjd s MET 519 Ca 0.46 -1.39 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1qjd s MET 519 Cb -0.30 -1.88 0.13 0.00 2.01 0.00 0.00 34.83 34.79 1qjd s MET 519 CO 0.38 0.44 0.85 0.27 -0.01 0.00 0.00 175.02 176.95 1qjd n ASN 520 N 0.77 0.86 0.27 3.03 0.23 -0.01 -1.00 115.26 119.40 1qjd n ASN 520 Ca -0.17 -1.79 0.18 0.00 -0.53 0.00 0.00 54.58 52.27 1qjd n ASN 520 Cb 0.54 -0.58 0.86 0.00 -2.08 0.00 0.00 39.78 38.51 1qjd n ASN 520 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qjd h ALA 521 N -0.85 1.00 -0.15 -2.53 0.00 -1.90 0.16 119.26 114.99 1qjd h ALA 521 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qjd h ALA 521 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1qjd h ALA 521 CO 0.27 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1qjd n LYS 522 N -2.86 1.53 -1.95 0.00 4.01 -1.26 -4.86 118.16 112.77 1qjd n LYS 522 Ca -0.01 -0.80 -0.13 0.00 -0.51 0.00 0.00 58.31 56.85 1qjd n LYS 522 Cb 0.17 -1.31 -0.02 0.00 -0.51 0.00 0.00 35.03 33.35 1qjd n LYS 522 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1qjd n LYS 523 N 0.06 -1.02 -3.68 1.97 5.02 0.05 -5.01 118.16 115.55 1qjd n LYS 523 Ca 0.13 0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 56.81 1qjd n LYS 523 Cb 0.24 -4.94 -0.06 0.00 -0.02 0.00 0.00 35.03 30.25 1qjd n LYS 523 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qjd s GLN 524 N -4.13 3.74 0.30 1.97 -0.21 -1.26 -4.82 119.66 115.25 1qjd s GLN 524 Ca 0.00 0.12 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 1qjd s GLN 524 Cb 0.00 -3.23 -0.10 0.00 1.00 0.00 0.00 33.01 30.68 1qjd s GLN 524 CO 0.00 0.68 1.31 0.08 -2.12 0.00 0.00 175.29 175.24 1qjd s VAL 525 N -0.87 2.82 -0.49 1.09 1.01 -1.26 -0.83 120.40 121.87 1qjd s VAL 525 Ca 0.19 0.78 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 1qjd s VAL 525 Cb -0.14 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1qjd s VAL 525 CO 0.08 0.17 0.65 -0.51 0.00 0.00 0.00 175.10 175.48 1qjd s ILE 526 N -0.80 4.83 0.15 2.22 2.07 -0.29 -4.90 121.20 124.48 1qjd s ILE 526 Ca 0.51 -0.31 -0.33 0.00 -1.41 0.00 0.00 60.65 59.12 1qjd s ILE 526 Cb -0.39 -4.29 -0.13 0.00 0.13 0.00 0.00 42.46 37.78 1qjd s ILE 526 CO 0.49 -0.78 1.68 -2.65 -1.91 0.00 0.00 174.94 171.77 1qjd n PRO 527 N 6.28 2.43 0.00 3.50 -0.02 -1.26 -1.60 135.00 144.32 1qjd n PRO 527 Ca -0.05 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1qjd n PRO 527 Cb 0.46 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1qjd n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qjd n GLY 528 N 3.78 1.45 3.58 -1.23 0.00 -1.26 -0.81 105.19 110.70 1qjd n GLY 528 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1qjd n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qjd s LEU 529 N 0.00 3.70 0.17 0.99 1.98 -0.63 -1.32 118.68 123.57 1qjd s LEU 529 Ca 0.00 0.00 0.07 0.00 -2.89 0.00 0.00 54.13 51.32 1qjd s LEU 529 Cb 0.00 -1.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.86 1qjd s LEU 529 CO 0.00 0.13 -0.15 -0.31 -1.89 0.00 0.00 176.35 174.12 1qjd s TYR 530 N 0.66 1.65 -0.00 5.38 1.51 -0.30 -1.14 117.35 125.11 1qjd s TYR 530 Ca 0.03 -0.54 -0.00 0.00 -1.01 0.00 0.00 57.07 55.55 1qjd s TYR 530 Cb -0.13 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.91 1qjd s TYR 530 CO 0.02 0.29 0.01 0.20 -1.11 0.00 0.00 175.55 174.95 1qjd s GLY 531 N -2.89 0.01 -0.12 0.71 0.00 -0.50 -0.39 107.32 104.14 1qjd s GLY 531 Ca 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.83 1qjd s GLY 531 CO 0.06 0.08 0.31 0.00 0.00 0.00 0.00 173.10 173.55 1qjd s ALA 532 N 0.12 -0.77 0.00 3.20 0.00 -0.91 -4.73 121.76 118.66 1qjd s ALA 532 Ca -0.01 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1qjd s ALA 532 Cb -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1qjd s ALA 532 CO -0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1qjd n GLY 533 N 3.09 -1.84 0.28 0.00 0.00 -1.26 -4.41 105.19 101.05 1qjd n GLY 533 Ca -0.14 -1.94 0.19 0.00 0.00 0.00 0.00 46.02 44.12 1qjd n GLY 533 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qjd h GLU 534 N 0.00 0.00 0.00 1.61 4.81 -1.92 0.91 114.58 119.99 1qjd h GLU 534 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1qjd h GLU 534 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qjd h GLU 534 CO 0.00 0.00 -0.07 -0.24 -0.73 0.00 0.00 179.01 177.97 1qjd h VAL 535 N 0.00 0.39 -3.51 0.32 3.04 -1.74 -3.38 116.25 111.37 1qjd h VAL 535 Ca 0.00 -0.37 -0.49 0.00 -1.01 0.00 0.00 66.70 64.83 1qjd h VAL 535 Cb 0.02 1.26 0.03 0.00 -2.01 0.00 0.00 31.29 30.59 1qjd h VAL 535 CO 0.00 0.07 0.09 0.42 -1.01 0.00 0.00 177.57 177.13 1qjd s THR 536 N -4.17 4.91 0.24 3.17 -4.23 0.31 -0.32 115.64 115.56 1qjd s THR 536 Ca -0.03 0.15 0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1qjd s THR 536 Cb 0.13 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1qjd s THR 536 CO 0.54 -0.83 -0.09 -0.83 -0.54 0.00 0.00 174.62 172.88 1qjd s GLY 537 N -4.10 1.73 0.00 3.99 0.00 -0.31 -3.95 107.32 104.68 1qjd s GLY 537 Ca 0.47 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1qjd s GLY 537 CO 0.44 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.44 1qjd n GLY 538 N -0.49 2.60 0.14 0.20 0.00 -1.25 -4.44 105.19 101.95 1qjd n GLY 538 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1qjd n GLY 538 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qjd h VAL 539 N 0.00 1.29 -0.20 1.61 2.07 -1.86 0.41 116.25 119.58 1qjd h VAL 539 Ca 0.00 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1qjd h VAL 539 Cb 0.00 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1qjd h VAL 539 CO 0.00 0.79 0.00 1.41 0.02 0.00 0.00 177.57 179.79 1qjd n HIS 540 N -3.79 0.25 -4.22 1.57 -0.00 -1.26 -4.68 115.22 103.09 1qjd n HIS 540 Ca -0.17 -0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.31 1qjd n HIS 540 Cb 1.05 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 31.03 1qjd n HIS 540 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qjd n GLY 541 N 0.67 2.09 0.15 -1.41 0.00 -1.26 -3.05 105.19 102.38 1qjd n GLY 541 Ca 0.10 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.82 1qjd n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjd n ALA 542 N 7.00 2.79 -3.44 4.61 0.00 -0.87 -4.73 120.51 125.86 1qjd n ALA 542 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.16 1qjd n ALA 542 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1qjd n ALA 542 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1qjd s ASN 543 N -2.44 -0.94 0.16 0.00 2.47 -1.17 -4.81 114.94 108.21 1qjd s ASN 543 Ca 0.29 1.09 -0.25 0.00 0.42 0.00 0.00 52.86 54.41 1qjd s ASN 543 Cb 0.20 1.99 -0.08 0.00 -1.45 0.00 0.00 41.25 41.91 1qjd s ASN 543 CO 0.47 -0.18 0.77 -0.60 -3.72 0.00 0.00 177.10 173.84 1qjd s ARG 544 N 2.74 4.56 0.23 0.43 3.52 -1.25 -3.21 118.95 125.96 1qjd s ARG 544 Ca -0.00 1.14 -0.30 0.00 -0.13 0.00 0.00 55.73 56.44 1qjd s ARG 544 Cb -0.10 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 1qjd s ARG 544 CO -0.18 0.57 1.00 -0.51 -0.81 0.00 0.00 175.30 175.37 1qjd s LEU 545 N -1.12 4.59 0.25 -0.88 1.43 -1.26 -4.78 118.68 116.90 1qjd s LEU 545 Ca 0.36 2.03 -0.31 0.00 -1.03 0.00 0.00 54.13 55.17 1qjd s LEU 545 Cb -0.23 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.25 1qjd s LEU 545 CO 0.26 0.01 1.44 0.61 0.23 0.00 0.00 176.35 178.90 1qjd n GLY 546 N 1.57 0.87 0.64 -3.19 0.00 -1.26 -1.35 105.19 102.48 1qjd n GLY 546 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1qjd n GLY 546 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjd n GLY 547 N 2.17 1.41 0.03 -0.02 0.00 -1.26 -4.81 105.19 102.72 1qjd n GLY 547 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1qjd n GLY 547 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qjd n ASN 548 N 0.00 0.59 0.13 1.61 4.13 -0.46 -0.96 115.26 120.30 1qjd n ASN 548 Ca 0.00 -0.08 -0.24 0.00 1.68 0.00 0.00 54.58 55.93 1qjd n ASN 548 Cb 0.00 0.28 -0.16 0.00 -1.54 0.00 0.00 39.78 38.36 1qjd n ASN 548 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qjd h ALA 549 N 2.74 -0.11 -0.52 5.41 0.00 -1.91 -1.99 119.26 122.88 1qjd h ALA 549 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 1qjd h ALA 549 Cb 0.63 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1qjd h ALA 549 CO 0.00 0.71 -0.00 0.82 0.00 0.00 0.00 179.25 180.78 1qjd h ILE 550 N 0.09 1.25 -0.30 0.00 1.08 -1.85 -0.83 117.51 116.95 1qjd h ILE 550 Ca -0.26 -1.06 0.06 0.00 -0.39 0.00 0.00 64.86 63.20 1qjd h ILE 550 Cb 2.11 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 36.67 1qjd h ILE 550 CO 0.25 0.38 -0.02 -1.28 -0.69 0.00 0.00 178.15 176.78 1qjd h SER 551 N 0.81 -0.17 0.21 1.72 0.87 -1.60 -2.52 113.55 112.87 1qjd h SER 551 Ca 0.15 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1qjd h SER 551 Cb 0.49 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1qjd h SER 551 CO 0.02 -0.05 -0.32 -0.78 -0.53 0.00 0.00 176.83 175.17 1qjd h ASP 552 N 0.06 -0.91 -0.05 6.23 1.82 -1.06 -1.67 116.42 120.84 1qjd h ASP 552 Ca 0.15 0.09 -0.10 0.00 -0.39 0.00 0.00 57.03 56.78 1qjd h ASP 552 Cb 0.21 0.33 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1qjd h ASP 552 CO -0.27 -0.43 -0.29 0.16 -1.61 0.00 0.00 179.24 176.80 1qjd h ILE 553 N -0.61 1.28 0.06 2.25 3.07 -0.98 0.33 117.51 122.91 1qjd h ILE 553 Ca 0.01 -1.34 -0.00 0.00 1.55 0.00 0.00 64.86 65.07 1qjd h ILE 553 Cb 0.59 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1qjd h ILE 553 CO -0.13 0.43 -0.03 0.40 -1.05 0.00 0.00 178.15 177.77 1qjd h ILE 554 N 0.43 1.20 -0.09 0.16 1.08 -1.44 -0.16 117.51 118.70 1qjd h ILE 554 Ca 0.06 -0.91 0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1qjd h ILE 554 Cb 0.72 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 1qjd h ILE 554 CO 0.06 0.23 -0.01 0.74 -0.69 0.00 0.00 178.15 178.47 1qjd h THR 555 N -0.48 0.93 0.09 -0.27 2.02 -0.92 -0.68 112.91 113.59 1qjd h THR 555 Ca -0.01 -0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.91 1qjd h THR 555 Cb 0.43 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1qjd h THR 555 CO 0.01 0.00 -1.17 -0.26 0.37 0.00 0.00 175.52 174.48 1qjd h PHE 556 N 0.01 0.33 -0.21 3.16 0.04 -0.45 -2.35 116.94 117.47 1qjd h PHE 556 Ca 0.04 -0.24 0.04 0.00 2.80 0.00 0.00 57.97 60.61 1qjd h PHE 556 Cb 0.06 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1qjd h PHE 556 CO -0.13 1.19 -0.02 0.78 -0.60 0.00 0.00 178.31 179.53 1qjd h GLY 557 N 2.07 0.19 0.99 -1.45 0.00 -0.99 0.41 103.07 104.28 1qjd h GLY 557 Ca -0.10 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1qjd h GLY 557 CO 0.18 -0.05 0.18 -0.09 0.00 0.00 0.00 176.54 176.75 1qjd h ARG 558 N 0.05 0.86 -0.57 4.80 2.43 -1.12 -1.25 114.38 119.58 1qjd h ARG 558 Ca 0.10 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1qjd h ARG 558 Cb 0.14 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1qjd h ARG 558 CO -0.19 0.78 0.25 1.25 -1.51 0.00 0.00 179.97 180.56 1qjd h LEU 559 N 0.78 0.78 -0.49 3.80 7.12 -1.28 -1.55 115.31 124.46 1qjd h LEU 559 Ca 0.18 -0.15 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1qjd h LEU 559 Cb 0.28 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 1qjd h LEU 559 CO -0.01 0.72 0.17 0.00 -0.13 0.00 0.00 178.44 179.19 1qjd h ALA 560 N 1.09 0.65 -0.99 1.25 0.00 -0.68 -0.32 119.26 120.25 1qjd h ALA 560 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1qjd h ALA 560 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1qjd h ALA 560 CO -0.02 0.29 0.65 0.78 0.00 0.00 0.00 179.25 180.95 1qjd h GLY 561 N 0.66 1.40 1.93 0.00 0.00 -0.82 0.19 103.07 106.43 1qjd h GLY 561 Ca 0.16 -0.53 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 1qjd h GLY 561 CO -0.01 0.52 -0.88 0.83 0.00 0.00 0.00 176.54 177.00 1qjd h GLU 562 N 1.35 0.06 -0.29 4.80 5.08 -1.01 -1.80 114.58 122.76 1qjd h GLU 562 Ca 0.36 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 1qjd h GLU 562 Cb -0.14 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1qjd h GLU 562 CO -0.08 0.90 -0.29 0.93 -1.00 0.00 0.00 179.01 179.47 1qjd h GLU 563 N 0.03 0.72 -0.37 2.33 4.39 -0.64 -2.03 114.58 119.01 1qjd h GLU 563 Ca -0.02 -0.38 0.04 0.00 0.34 0.00 0.00 59.36 59.34 1qjd h GLU 563 Cb 1.55 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.17 1qjd h GLU 563 CO 0.12 1.00 0.13 0.00 -1.16 0.00 0.00 179.01 179.10 1qjd h ALA 564 N 0.71 0.43 -0.52 3.43 0.00 -0.61 0.72 119.26 123.42 1qjd h ALA 564 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1qjd h ALA 564 Cb 0.87 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1qjd h ALA 564 CO 0.07 -0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.36 1qjd h ALA 565 N 1.24 0.67 -0.28 0.00 0.00 -1.25 0.08 119.26 119.72 1qjd h ALA 565 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qjd h ALA 565 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1qjd h ALA 565 CO -0.18 0.17 0.13 0.87 0.00 0.00 0.00 179.25 180.24 1qjd h LYS 566 N 0.70 0.41 -0.97 0.00 1.57 -1.02 -1.86 116.57 115.40 1qjd h LYS 566 Ca 0.19 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 1qjd h LYS 566 Cb 0.02 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 1qjd h LYS 566 CO -0.03 0.40 0.61 -0.92 -0.57 0.00 0.00 179.45 178.94 1qjd h TYR 567 N 0.31 1.04 0.00 -1.35 3.20 -0.56 -3.51 116.97 116.10 1qjd h TYR 567 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1qjd h TYR 567 Cb 0.14 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1qjd h TYR 567 CO -0.02 0.38 0.00 0.45 -1.64 0.00 0.00 178.16 177.33