#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qry s PRO 20 N 0.00 4.51 0.00 1.64 0.04 -1.26 -4.73 135.00 135.21 2qry s PRO 20 Ca 0.00 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 2qry s PRO 20 Cb 0.00 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 2qry s PRO 20 CO 0.00 -0.03 0.36 0.08 0.04 0.00 0.00 177.00 177.44 2qry s VAL 21 N -0.38 5.14 -0.24 -0.36 1.01 -1.26 -1.54 120.40 122.76 2qry s VAL 21 Ca 0.51 0.60 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2qry s VAL 21 Cb -0.33 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.47 2qry s VAL 21 CO 0.39 0.50 -0.11 -0.22 0.00 0.00 0.00 175.10 175.66 2qry s LEU 22 N -1.33 3.07 -0.27 3.92 2.96 -0.42 -4.93 118.68 121.69 2qry s LEU 22 Ca 0.25 -1.25 -0.18 0.00 -0.22 0.00 0.00 54.13 52.73 2qry s LEU 22 Cb -0.15 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2qry s LEU 22 CO 0.13 -0.18 0.52 -0.89 -1.32 0.00 0.00 176.35 174.62 2qry s THR 23 N 1.20 5.06 -0.26 3.68 2.01 -1.26 -0.96 115.64 125.10 2qry s THR 23 Ca -0.07 0.86 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 2qry s THR 23 Cb -0.19 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.52 2qry s THR 23 CO -0.06 0.07 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.20 2qry s VAL 24 N 2.32 2.91 -0.04 3.82 1.01 0.33 -0.54 120.40 130.21 2qry s VAL 24 Ca 0.21 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2qry s VAL 24 Cb -0.16 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2qry s VAL 24 CO 0.09 0.11 1.00 -0.31 0.00 0.00 0.00 175.10 176.00 2qry s TYR 25 N 1.30 3.58 0.33 5.22 1.51 0.52 -0.73 117.35 129.08 2qry s TYR 25 Ca -0.01 1.63 -0.02 0.00 -1.01 0.00 0.00 57.07 57.66 2qry s TYR 25 Cb -0.18 -3.16 0.01 0.00 -0.11 0.00 0.00 41.96 38.52 2qry s TYR 25 CO -0.03 -0.17 0.47 -2.37 -1.11 0.00 0.00 175.55 172.33 2qry n THR 26 N 4.19 0.00 -3.47 -0.71 5.66 0.03 -0.07 114.28 119.90 2qry n THR 26 Ca 0.07 -1.62 -0.26 0.00 -3.05 0.00 0.00 64.05 59.20 2qry n THR 26 Cb 0.50 1.01 -0.02 0.00 -1.55 0.00 0.00 70.33 70.27 2qry n THR 26 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2qry s TYR 27 N -3.06 3.49 0.27 1.09 -0.85 -1.23 -0.77 117.35 116.29 2qry s TYR 27 Ca 0.26 0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 57.21 2qry s TYR 27 Cb -0.01 -1.92 0.53 0.00 0.38 0.00 0.00 41.96 40.94 2qry s TYR 27 CO 0.19 0.21 1.78 0.38 -1.52 0.00 0.00 175.55 176.59 2qry h ASP 28 N 1.31 0.61 0.29 -0.18 3.04 -1.84 -2.24 116.42 117.41 2qry h ASP 28 Ca -0.49 0.08 -0.01 0.00 -3.24 0.00 0.00 57.03 53.37 2qry h ASP 28 Cb 1.20 -0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 39.47 2qry h ASP 28 CO 0.64 0.28 -0.06 0.77 -2.04 0.00 0.00 179.24 178.83 2qry h SER 29 N 0.70 0.00 0.36 4.15 4.64 -1.97 -0.31 113.55 121.12 2qry h SER 29 Ca 0.47 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.46 2qry h SER 29 Cb 0.62 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2qry h SER 29 CO -0.34 0.06 -1.53 0.15 -0.87 0.00 0.00 176.83 174.31 2qry h PHE 30 N 0.00 0.70 0.00 4.77 3.57 -1.79 -3.35 116.94 120.84 2qry h PHE 30 Ca -0.00 -0.51 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2qry h PHE 30 Cb 0.22 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2qry h PHE 30 CO 0.00 1.50 -0.16 0.00 -2.23 0.00 0.00 178.31 177.42 2qry h ALA 31 N 0.31 0.91 -2.52 2.41 0.00 -1.35 0.16 119.26 119.17 2qry h ALA 31 Ca -0.26 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.11 2qry h ALA 31 Cb 2.08 0.00 0.19 0.00 0.00 0.00 0.00 17.79 20.06 2qry h ALA 31 CO 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.37 2qry n ALA 32 N -1.93 -0.90 -0.21 0.00 0.00 -0.16 -4.60 120.51 112.70 2qry n ALA 32 Ca 0.04 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.22 2qry n ALA 32 Cb 0.48 -2.03 0.30 0.00 0.00 0.00 0.00 19.45 18.20 2qry n ALA 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qry h ASP 33 N -0.64 0.77 0.93 0.00 3.32 -1.91 0.81 116.42 119.70 2qry h ASP 33 Ca -0.46 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2qry h ASP 33 Cb 1.32 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2qry h ASP 33 CO 0.44 0.52 -0.07 -2.67 -1.72 0.00 0.00 179.24 175.73 2qry n TRP 34 N -4.46 0.00 -1.65 4.55 2.14 -1.26 -4.74 117.44 112.01 2qry n TRP 34 Ca 0.10 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.53 2qry n TRP 34 Cb 0.16 -0.46 0.09 0.00 -0.81 0.00 0.00 31.31 30.29 2qry n TRP 34 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qry n GLY 35 N 1.50 -0.92 0.20 -1.67 0.00 0.28 -4.74 105.19 99.84 2qry n GLY 35 Ca 0.07 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.42 2qry n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qry h PRO 36 N 0.00 0.00 -0.69 1.61 0.13 -1.58 -3.38 132.00 128.09 2qry h PRO 36 Ca -0.20 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2qry h PRO 36 Cb 0.59 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.64 2qry h PRO 36 CO 0.16 0.28 -0.44 0.78 -0.23 0.00 0.00 178.00 178.55 2qry h GLY 37 N 2.73 -1.31 -0.01 1.56 0.00 -1.18 0.15 103.07 105.01 2qry h GLY 37 Ca -0.00 0.88 0.07 0.00 0.00 0.00 0.00 47.33 48.27 2qry h GLY 37 CO 0.04 -0.23 -0.29 -2.55 0.00 0.00 0.00 176.54 173.51 2qry h PRO 38 N -0.04 -0.25 -0.28 4.80 0.11 -1.78 0.53 132.00 135.09 2qry h PRO 38 Ca 0.11 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.28 2qry h PRO 38 Cb 0.32 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 2qry h PRO 38 CO -0.67 -0.17 0.06 0.28 -0.21 0.00 0.00 178.00 177.29 2qry h VAL 39 N -0.26 0.88 -0.16 3.15 2.07 -1.67 -0.87 116.25 119.38 2qry h VAL 39 Ca 0.15 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 2qry h VAL 39 Cb 0.51 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2qry h VAL 39 CO -0.46 0.03 -0.15 0.58 0.02 0.00 0.00 177.57 177.59 2qry h VAL 40 N 0.17 1.19 0.24 2.57 2.07 0.16 -2.04 116.25 120.61 2qry h VAL 40 Ca 0.13 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2qry h VAL 40 Cb 0.13 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2qry h VAL 40 CO -0.17 0.27 -0.12 0.50 0.02 0.00 0.00 177.57 178.08 2qry h LYS 41 N 0.25 -0.31 -0.27 1.57 3.64 0.75 -2.44 116.57 119.76 2qry h LYS 41 Ca 0.05 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2qry h LYS 41 Cb 0.42 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 2qry h LYS 41 CO 0.03 0.04 0.02 -0.22 -2.27 0.00 0.00 179.45 177.04 2qry h LYS 42 N -0.73 0.11 -0.29 1.90 3.64 -1.10 -2.15 116.57 117.94 2qry h LYS 42 Ca -0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2qry h LYS 42 Cb 0.49 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2qry h LYS 42 CO 0.05 0.07 0.11 0.00 -2.27 0.00 0.00 179.45 177.41 2qry h ALA 43 N 1.22 0.33 -0.36 5.00 0.00 -1.43 -2.42 119.26 121.60 2qry h ALA 43 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2qry h ALA 43 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qry h ALA 43 CO -0.19 -0.29 0.02 0.35 0.00 0.00 0.00 179.25 179.13 2qry h PHE 44 N 0.24 0.57 0.00 0.00 3.57 -1.22 -2.54 116.94 117.56 2qry h PHE 44 Ca 0.13 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2qry h PHE 44 Cb 0.08 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2qry h PHE 44 CO -0.12 0.55 0.00 0.93 -2.23 0.00 0.00 178.31 177.43 2qry h GLU 45 N 0.53 0.00 0.00 1.11 5.08 -1.13 -2.83 114.58 117.35 2qry h GLU 45 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2qry h GLU 45 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2qry h GLU 45 CO 0.01 0.00 -0.46 0.00 -1.00 0.00 0.00 179.01 177.56 2qry h ALA 46 N 2.08 0.71 -0.06 3.43 0.00 -0.99 -3.29 119.26 121.14 2qry h ALA 46 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qry h ALA 46 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qry h ALA 46 CO 0.00 0.57 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 2qry n ASP 47 N -3.23 2.69 -3.15 0.00 3.85 -1.20 -4.91 116.55 110.60 2qry n ASP 47 Ca 0.02 -3.06 0.05 0.00 -0.71 0.00 0.00 54.79 51.09 2qry n ASP 47 Cb 0.71 -0.45 -0.00 0.00 -1.35 0.00 0.00 41.12 40.03 2qry n ASP 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qry n ASN 49 N 5.19 2.64 0.00 0.00 5.15 -1.26 -4.38 115.26 122.60 2qry n ASN 49 Ca 0.08 0.54 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2qry n ASN 49 Cb 0.56 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 2qry n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qry s GLU 51 N -2.00 2.22 -0.45 0.00 2.12 -0.59 -4.81 118.70 115.19 2qry s GLU 51 Ca 0.00 -1.09 -0.24 0.00 0.36 0.00 0.00 54.97 53.99 2qry s GLU 51 Cb 0.00 -2.68 0.03 0.00 0.26 0.00 0.00 34.13 31.73 2qry s GLU 51 CO 0.00 -0.48 0.86 -1.17 -0.54 0.00 0.00 175.26 173.92 2qry s LEU 52 N 1.24 4.13 -0.52 2.70 2.96 -1.26 -1.30 118.68 126.63 2qry s LEU 52 Ca -0.04 0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 2qry s LEU 52 Cb -0.18 -3.08 0.11 0.00 0.50 0.00 0.00 46.19 43.54 2qry s LEU 52 CO -0.07 -0.98 0.47 -0.54 -1.32 0.00 0.00 176.35 173.91 2qry s LYS 53 N 3.52 2.99 -0.42 1.98 1.02 -0.13 -4.99 119.74 123.70 2qry s LYS 53 Ca 0.33 -1.56 -0.24 0.00 0.02 0.00 0.00 55.97 54.52 2qry s LYS 53 Cb -0.11 -4.24 0.02 0.00 -0.52 0.00 0.00 37.83 32.98 2qry s LYS 53 CO 0.24 -1.23 0.82 -0.51 -0.92 0.00 0.00 175.35 173.76 2qry s LEU 54 N 1.66 4.15 -0.35 3.17 1.43 -1.26 -0.51 118.68 126.96 2qry s LEU 54 Ca 0.04 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 2qry s LEU 54 Cb -0.28 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 42.90 2qry s LEU 54 CO 0.04 -0.89 0.20 -0.69 0.23 0.00 0.00 176.35 175.24 2qry s VAL 55 N 3.36 4.78 -1.23 -1.59 1.01 0.09 -4.97 120.40 121.84 2qry s VAL 55 Ca 0.32 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 2qry s VAL 55 Cb -0.12 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2qry s VAL 55 CO 0.22 -0.08 1.85 0.00 0.00 0.00 0.00 175.10 177.09 2qry s ALA 56 N 1.62 2.40 -0.09 5.51 0.00 -1.26 -0.79 121.76 129.16 2qry s ALA 56 Ca 0.04 -2.45 -0.05 0.00 0.00 0.00 0.00 51.96 49.50 2qry s ALA 56 Cb -0.18 -4.66 -0.04 0.00 0.00 0.00 0.00 23.12 18.24 2qry s ALA 56 CO 0.07 -4.45 0.16 1.25 0.00 0.00 0.00 175.76 172.79 2qry h LEU 57 N 15.67 -0.06 -8.45 0.00 5.85 -1.28 -3.43 115.31 123.59 2qry h LEU 57 Ca 0.31 -0.09 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 2qry h LEU 57 Cb 0.91 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 2qry h LEU 57 CO 1.32 0.47 -0.29 -1.61 -0.34 0.00 0.00 178.44 177.99 2qry s GLU 58 N -1.87 1.59 0.63 1.25 0.41 -1.23 -5.01 118.70 114.46 2qry s GLU 58 Ca -0.03 -1.55 -0.11 0.00 -0.41 0.00 0.00 54.97 52.87 2qry s GLU 58 Cb -0.00 0.40 -0.03 0.00 -1.78 0.00 0.00 34.13 32.72 2qry s GLU 58 CO 0.10 -0.63 1.03 -0.51 -0.49 0.00 0.00 175.26 174.76 2qry s ASP 59 N -3.14 6.06 0.00 -0.19 1.01 -1.26 -3.57 116.67 115.58 2qry s ASP 59 Ca 0.30 1.33 -0.00 0.00 0.71 0.00 0.00 52.55 54.89 2qry s ASP 59 Cb 0.02 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.61 2qry s ASP 59 CO 0.14 -0.96 0.09 0.61 0.21 0.00 0.00 175.17 175.27 2qry n GLY 60 N -2.78 -0.28 0.14 0.21 0.00 -1.19 -1.08 105.19 100.21 2qry n GLY 60 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.16 2qry n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qry h VAL 61 N 0.00 0.90 0.00 1.61 -1.51 -1.54 -3.07 116.25 112.65 2qry h VAL 61 Ca 0.00 -2.20 -0.04 0.00 -1.23 0.00 0.00 66.70 63.23 2qry h VAL 61 Cb 0.00 2.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2qry h VAL 61 CO -0.01 0.50 -0.17 0.28 -1.23 0.00 0.00 177.57 176.94 2qry h SER 62 N 0.00 0.00 -0.45 4.19 0.02 -0.77 -2.34 113.55 114.20 2qry h SER 62 Ca -0.01 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2qry h SER 62 Cb 1.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2qry h SER 62 CO 0.07 0.17 0.28 -0.07 -1.14 0.00 0.00 176.83 176.14 2qry h LEU 63 N 0.00 0.46 0.46 5.07 3.38 -1.14 0.43 115.31 123.97 2qry h LEU 63 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qry h LEU 63 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qry h LEU 63 CO 0.02 0.33 -0.22 0.25 0.09 0.00 0.00 178.44 178.91 2qry h LEU 64 N 0.56 -0.52 -0.77 1.67 6.46 -1.56 -0.42 115.31 120.73 2qry h LEU 64 Ca 0.17 -0.06 0.14 0.00 -0.12 0.00 0.00 57.88 58.01 2qry h LEU 64 Cb -0.02 0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 39.95 2qry h LEU 64 CO -0.06 -0.24 0.34 -1.13 -0.62 0.00 0.00 178.44 176.73 2qry h ASN 65 N -0.80 0.37 -0.42 1.25 -0.73 -1.24 -0.07 115.58 113.93 2qry h ASN 65 Ca -0.06 0.10 -0.14 0.00 1.87 0.00 0.00 56.30 58.06 2qry h ASN 65 Cb 0.55 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 2qry h ASN 65 CO 0.10 0.15 -0.29 -0.09 -0.37 0.00 0.00 177.43 176.94 2qry h ARG 66 N 0.51 0.96 -0.64 6.67 2.43 -0.04 -2.92 114.38 121.35 2qry h ARG 66 Ca 0.42 -0.45 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2qry h ARG 66 Cb 0.61 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2qry h ARG 66 CO -0.38 1.11 0.27 1.25 -1.51 0.00 0.00 179.97 180.72 2qry h LEU 67 N 0.81 0.83 -1.95 3.80 5.85 0.01 -2.34 115.31 122.32 2qry h LEU 67 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2qry h LEU 67 Cb 0.87 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2qry h LEU 67 CO 0.08 0.73 0.00 0.54 -0.34 0.00 0.00 178.44 179.45 2qry n ARG 68 N -4.33 0.22 0.00 1.25 1.74 -0.14 -1.39 116.66 114.00 2qry n ARG 68 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2qry n ARG 68 Cb 0.16 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2qry n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2qry n GLU 70 N 0.87 0.00 0.00 5.56 1.02 -0.88 -5.00 120.64 122.20 2qry n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2qry n GLU 70 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 2qry n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qry n GLY 71 N 0.00 2.79 0.00 0.62 0.00 -0.49 -1.09 105.19 107.02 2qry n GLY 71 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.79 2qry n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qry n LYS 72 N 13.92 0.93 0.00 1.61 2.85 -1.26 -2.04 118.16 134.16 2qry n LYS 72 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 2qry n LYS 72 Cb 0.00 -1.40 0.37 0.00 -0.65 0.00 0.00 35.03 33.34 2qry n LYS 72 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2qry n ASN 73 N -0.90 0.43 -4.73 -5.58 5.03 -0.25 -4.91 115.26 104.34 2qry n ASN 73 Ca 0.18 -0.15 -0.39 0.00 0.87 0.00 0.00 54.58 55.09 2qry n ASN 73 Cb 0.08 0.05 0.04 0.00 -1.02 0.00 0.00 39.78 38.93 2qry n ASN 73 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2qry n SER 74 N -1.40 2.56 -1.22 6.41 2.88 -0.87 -4.89 113.62 117.09 2qry n SER 74 Ca 0.07 0.99 0.11 0.00 -1.33 0.00 0.00 58.87 58.71 2qry n SER 74 Cb 0.33 -1.55 0.28 0.00 -0.75 0.00 0.00 64.21 62.52 2qry n SER 74 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2qry n LYS 75 N -0.83 2.55 -3.00 -1.46 2.85 -1.26 -4.94 118.16 112.08 2qry n LYS 75 Ca 0.10 -2.39 -0.38 0.00 -1.05 0.00 0.00 58.31 54.59 2qry n LYS 75 Cb 0.44 -1.53 -0.06 0.00 -0.65 0.00 0.00 35.03 33.23 2qry n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qry s ALA 76 N -1.25 3.41 -0.20 0.58 0.00 -1.26 -4.62 121.76 118.42 2qry s ALA 76 Ca 0.43 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.77 2qry s ALA 76 Cb 0.24 -2.94 -0.16 0.00 0.00 0.00 0.00 23.12 20.26 2qry s ALA 76 CO 0.32 0.29 -0.11 -0.25 0.00 0.00 0.00 175.76 176.00 2qry n ASP 77 N 1.18 1.87 -3.92 0.00 8.00 0.30 -4.56 116.55 119.42 2qry n ASP 77 Ca -0.04 -0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 2qry n ASP 77 Cb 0.50 0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.52 2qry n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qry s VAL 78 N -2.42 0.05 -0.18 2.53 1.01 -0.94 -0.57 120.40 119.89 2qry s VAL 78 Ca -0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2qry s VAL 78 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 2qry s VAL 78 CO 0.56 -0.25 -0.12 -0.69 0.00 0.00 0.00 175.10 174.60 2qry s VAL 79 N -0.72 2.88 -0.19 2.92 1.01 -0.13 -0.35 120.40 125.81 2qry s VAL 79 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2qry s VAL 79 Cb -0.05 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2qry s VAL 79 CO -0.00 0.49 -0.13 -0.22 0.00 0.00 0.00 175.10 175.23 2qry s LEU 80 N 1.09 2.23 0.00 3.92 0.20 0.90 -1.66 118.68 125.36 2qry s LEU 80 Ca 0.00 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.01 2qry s LEU 80 Cb -0.14 -1.29 0.00 0.00 -0.43 0.00 0.00 46.19 44.32 2qry s LEU 80 CO -0.03 -0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.53 2qry n GLY 81 N 4.67 -0.55 3.93 7.98 0.00 -0.66 -4.03 105.19 116.52 2qry n GLY 81 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2qry n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qry s LEU 82 N 0.00 2.68 0.34 0.99 1.43 -1.06 -4.58 118.68 118.48 2qry s LEU 82 Ca 0.00 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2qry s LEU 82 Cb 0.00 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2qry s LEU 82 CO 0.00 -2.70 0.49 1.51 0.23 0.00 0.00 176.35 175.87 2qry s ASP 83 N -4.86 0.83 0.39 2.29 1.47 -1.26 -0.20 116.67 115.32 2qry s ASP 83 Ca 0.73 -1.45 0.17 0.00 1.18 0.00 0.00 52.55 53.19 2qry s ASP 83 Cb -0.04 0.67 1.07 0.00 -0.34 0.00 0.00 42.92 44.28 2qry s ASP 83 CO 0.53 -1.30 1.77 -0.55 0.68 0.00 0.00 175.17 176.29 2qry h ASN 84 N 2.12 0.48 0.91 2.11 -1.07 -1.57 0.25 115.58 118.81 2qry h ASN 84 Ca -0.28 0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.17 2qry h ASN 84 Cb 1.24 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2qry h ASN 84 CO 0.39 0.09 0.00 0.78 0.07 0.00 0.00 177.43 178.76 2qry h ASN 85 N 0.42 0.00 -0.23 6.14 2.35 -1.93 -3.01 115.58 119.32 2qry h ASN 85 Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 2qry h ASN 85 Cb 1.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.83 2qry h ASN 85 CO -0.32 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.64 2qry n LEU 86 N -2.37 2.73 -0.06 1.61 4.77 0.87 -4.62 117.00 119.93 2qry n LEU 86 Ca 0.02 -1.46 -0.08 0.00 -0.03 0.00 0.00 56.01 54.46 2qry n LEU 86 Cb 0.28 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2qry n LEU 86 CO 0.23 0.60 0.91 -0.07 -1.33 0.00 0.00 177.39 177.72 2qry h LEU 87 N 2.90 0.07 -0.54 2.23 3.38 -1.35 -1.15 115.31 120.84 2qry h LEU 87 Ca 0.00 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2qry h LEU 87 Cb 0.72 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2qry h LEU 87 CO 0.00 0.07 -0.34 -0.78 0.09 0.00 0.00 178.44 177.48 2qry h ASP 88 N 0.18 0.86 -0.34 -0.43 3.58 -1.83 -0.25 116.42 118.18 2qry h ASP 88 Ca 0.11 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 2qry h ASP 88 Cb 0.08 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2qry h ASP 88 CO -0.12 1.11 0.13 0.00 -2.88 0.00 0.00 179.24 177.49 2qry h ALA 89 N 0.93 0.45 -0.64 -0.78 0.00 -1.80 -1.58 119.26 115.84 2qry h ALA 89 Ca 0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2qry h ALA 89 Cb 0.89 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2qry h ALA 89 CO 0.08 0.06 0.12 0.00 0.00 0.00 0.00 179.25 179.51 2qry h ALA 90 N 0.97 1.01 -0.28 0.00 0.00 -1.12 -3.17 119.26 116.66 2qry h ALA 90 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2qry h ALA 90 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qry h ALA 90 CO -0.01 0.64 0.05 1.03 0.00 0.00 0.00 179.25 180.96 2qry h SER 91 N 0.97 0.45 0.21 0.00 0.87 -0.77 -2.73 113.55 112.56 2qry h SER 91 Ca 0.20 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2qry h SER 91 Cb 0.39 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2qry h SER 91 CO 0.01 0.59 0.00 0.29 -0.53 0.00 0.00 176.83 177.19 2qry n LYS 92 N -4.65 0.00 0.08 2.24 5.02 -0.62 -1.78 118.16 118.45 2qry n LYS 92 Ca -0.03 0.39 -0.05 0.00 -2.02 0.00 0.00 58.31 56.61 2qry n LYS 92 Cb 0.21 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 2qry n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qry h THR 93 N 0.00 1.53 -0.01 -0.18 1.03 -1.47 -3.47 112.91 110.33 2qry h THR 93 Ca 0.00 -3.14 -0.01 0.00 -0.01 0.00 0.00 66.41 63.25 2qry h THR 93 Cb 0.11 2.74 -0.00 0.00 -1.07 0.00 0.00 68.15 69.93 2qry h THR 93 CO 0.00 0.87 -0.01 0.61 -0.01 0.00 0.00 175.52 176.98 2qry n GLY 94 N 1.30 0.32 0.10 2.99 0.00 -0.73 -4.87 105.19 104.29 2qry n GLY 94 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2qry n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qry n LEU 95 N -0.03 0.80 -4.66 0.99 4.77 -1.26 -4.83 117.00 112.78 2qry n LEU 95 Ca -0.00 0.50 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 2qry n LEU 95 Cb 0.20 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2qry n LEU 95 CO 0.00 -0.16 -0.34 -0.36 -1.33 0.00 0.00 177.39 175.21 2qry s PHE 96 N -3.11 3.00 0.40 -1.77 0.40 -1.26 -1.43 117.98 114.21 2qry s PHE 96 Ca 0.10 0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.53 2qry s PHE 96 Cb 0.12 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 2qry s PHE 96 CO 0.62 0.44 0.43 0.00 0.70 0.00 0.00 175.22 177.41 2qry s ALA 97 N -1.10 4.18 0.47 5.36 0.00 -0.66 -4.62 121.76 125.38 2qry s ALA 97 Ca 0.20 -1.76 -0.24 0.00 0.00 0.00 0.00 51.96 50.17 2qry s ALA 97 Cb -0.11 -1.27 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 2qry s ALA 97 CO 0.11 -0.19 1.31 0.15 0.00 0.00 0.00 175.76 177.14 2qry s LYS 98 N -4.18 3.62 0.10 0.00 1.02 -1.26 -4.54 119.74 114.50 2qry s LYS 98 Ca 0.49 2.14 -0.15 0.00 0.02 0.00 0.00 55.97 58.47 2qry s LYS 98 Cb -0.06 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.66 2qry s LYS 98 CO 0.29 -0.78 1.43 0.66 -0.92 0.00 0.00 175.35 176.03 2qry h SER 99 N 2.10 0.75 -3.69 2.83 4.64 -1.49 -3.47 113.55 115.21 2qry h SER 99 Ca -0.50 -0.46 -0.22 0.00 -0.47 0.00 0.00 61.79 60.13 2qry h SER 99 Cb 1.27 -0.21 0.08 0.00 -0.31 0.00 0.00 62.40 63.22 2qry h SER 99 CO 0.60 1.06 -0.38 0.61 -0.87 0.00 0.00 176.83 177.85 2qry n GLY 100 N 0.13 0.11 3.62 -0.77 0.00 -1.26 -4.77 105.19 102.26 2qry n GLY 100 Ca -0.04 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2qry n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qry s VAL 101 N -3.17 1.89 -0.33 1.61 -7.23 -1.26 -5.00 120.40 106.90 2qry s VAL 101 Ca 0.33 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.22 2qry s VAL 101 Cb -0.14 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 2qry s VAL 101 CO 0.40 0.00 2.18 0.00 -0.31 0.00 0.00 175.10 177.38 2qry s ALA 102 N -2.75 2.44 -0.22 1.32 0.00 -1.26 -4.87 121.76 116.40 2qry s ALA 102 Ca 0.33 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 2qry s ALA 102 Cb 0.09 -4.15 0.11 0.00 0.00 0.00 0.00 23.12 19.17 2qry s ALA 102 CO 0.17 -3.26 2.20 0.00 0.00 0.00 0.00 175.76 174.87 2qry n ALA 103 N 12.61 5.04 -1.81 0.00 0.00 -1.26 -3.41 120.51 131.67 2qry n ALA 103 Ca 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2qry n ALA 103 Cb 0.48 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2qry n ALA 103 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qry n ASP 104 N 0.86 0.00 -1.36 0.00 5.68 -1.26 -4.89 116.55 115.58 2qry n ASP 104 Ca 0.25 -1.00 0.07 0.00 -0.50 0.00 0.00 54.79 53.61 2qry n ASP 104 Cb 0.58 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.84 2qry n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qry n ALA 105 N 0.00 3.11 -2.41 2.12 0.00 -1.22 -4.90 120.51 117.21 2qry n ALA 105 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 53.44 51.85 2qry n ALA 105 Cb 0.25 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 2qry n ALA 105 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qry s VAL 106 N -1.91 2.41 -0.35 0.00 1.01 -1.26 -4.64 120.40 115.66 2qry s VAL 106 Ca 0.40 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2qry s VAL 106 Cb 0.27 -1.88 0.12 0.00 0.00 0.00 0.00 36.38 34.89 2qry s VAL 106 CO 0.18 0.58 0.18 0.21 0.00 0.00 0.00 175.10 176.24 2qry s ASN 107 N -0.60 3.52 0.22 3.32 2.47 0.12 -4.92 114.94 119.07 2qry s ASN 107 Ca 0.09 -2.01 0.11 0.00 0.42 0.00 0.00 52.86 51.47 2qry s ASN 107 Cb -0.11 -0.68 -0.05 0.00 -1.45 0.00 0.00 41.25 38.96 2qry s ASN 107 CO -0.00 -0.35 -0.22 0.54 -3.72 0.00 0.00 177.10 173.36 2qry s VAL 108 N 1.19 2.29 0.10 -5.21 0.11 -1.26 -4.70 120.40 112.91 2qry s VAL 108 Ca 0.14 -2.14 -0.31 0.00 -2.93 0.00 0.00 61.98 56.74 2qry s VAL 108 Cb -0.21 -2.14 -0.09 0.00 -1.53 0.00 0.00 36.38 32.41 2qry s VAL 108 CO -0.12 -0.25 1.77 -2.84 -3.33 0.00 0.00 175.10 170.33 2qry s PRO 109 N -2.99 4.16 0.00 1.54 0.02 -1.26 -1.50 135.00 134.97 2qry s PRO 109 Ca 0.23 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.75 2qry s PRO 109 Cb -0.06 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.83 2qry s PRO 109 CO 0.11 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 2qry n GLY 110 N 4.17 0.72 3.83 0.52 0.00 -1.26 -4.94 105.19 108.23 2qry n GLY 110 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 2qry n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qry n GLY 111 N -2.07 -2.04 3.64 -0.02 0.00 -0.56 -4.99 105.19 99.14 2qry n GLY 111 Ca 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 2qry n GLY 111 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qry s TRP 112 N -0.57 -1.08 -0.39 1.61 -0.11 -1.26 -4.74 118.94 112.40 2qry s TRP 112 Ca 0.00 2.07 0.03 0.00 1.22 0.00 0.00 56.10 59.42 2qry s TRP 112 Cb 0.00 0.64 0.16 0.00 -1.50 0.00 0.00 33.47 32.77 2qry s TRP 112 CO 0.00 -0.53 0.32 1.21 -4.62 0.00 0.00 176.95 173.33 2qry s ASN 113 N 1.90 1.76 -0.08 5.86 3.04 -1.26 -4.98 114.94 121.17 2qry s ASN 113 Ca -0.09 -2.48 -0.03 0.00 0.04 0.00 0.00 52.86 50.30 2qry s ASN 113 Cb -0.06 -0.15 0.04 0.00 -1.54 0.00 0.00 41.25 39.54 2qry s ASN 113 CO -0.19 -0.22 0.16 0.21 -3.04 0.00 0.00 177.10 174.01 2qry s ASN 114 N 0.65 0.43 -0.00 -4.21 2.47 -1.26 -5.02 114.94 107.99 2qry s ASN 114 Ca 0.25 0.33 0.03 0.00 0.42 0.00 0.00 52.86 53.89 2qry s ASN 114 Cb -0.08 0.26 0.08 0.00 -1.45 0.00 0.00 41.25 40.06 2qry s ASN 114 CO -0.09 -0.21 1.05 -0.90 -3.72 0.00 0.00 177.10 173.22 2qry n ASP 115 N 4.93 0.54 0.01 -4.21 5.68 -1.26 -4.29 116.55 117.96 2qry n ASP 115 Ca -0.12 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 2qry n ASP 115 Cb 0.50 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 2qry n ASP 115 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2qry n THR 116 N -0.22 0.05 -3.21 2.12 -1.04 -1.26 -1.79 114.28 108.93 2qry n THR 116 Ca 0.03 0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.66 2qry n THR 116 Cb 0.09 -0.95 -0.07 0.00 -1.82 0.00 0.00 70.33 67.58 2qry n THR 116 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2qry s PHE 117 N -2.00 3.32 -0.26 -1.42 0.08 -1.26 -4.05 117.98 112.39 2qry s PHE 117 Ca 0.00 0.74 -0.09 0.00 0.12 0.00 0.00 56.93 57.70 2qry s PHE 117 Cb 0.00 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 2qry s PHE 117 CO 0.00 -0.20 0.13 0.08 -0.10 0.00 0.00 175.22 175.12 2qry s VAL 118 N 2.03 4.85 0.57 -0.44 1.01 -0.19 -4.72 120.40 123.50 2qry s VAL 118 Ca 0.24 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 2qry s VAL 118 Cb -0.16 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2qry s VAL 118 CO 0.09 0.31 1.08 -2.84 0.00 0.00 0.00 175.10 173.74 2qry s PRO 119 N 1.52 3.32 0.00 2.72 0.02 -1.26 -0.78 135.00 140.54 2qry s PRO 119 Ca 0.06 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.45 2qry s PRO 119 Cb -0.15 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2qry s PRO 119 CO 0.07 -0.83 0.00 1.97 -0.33 0.00 0.00 177.00 177.88 2qry n PHE 120 N -1.73 0.00 -3.82 6.54 1.16 -0.42 -4.84 117.46 114.35 2qry n PHE 120 Ca 0.10 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.63 2qry n PHE 120 Cb 0.52 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.40 2qry n PHE 120 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2qry s ASP 121 N -0.76 -0.08 0.15 5.98 1.47 -1.25 -3.80 116.67 118.38 2qry s ASP 121 Ca 0.00 -0.66 -0.20 0.00 1.18 0.00 0.00 52.55 52.87 2qry s ASP 121 Cb 0.00 0.57 0.06 0.00 -0.34 0.00 0.00 42.92 43.21 2qry s ASP 121 CO 0.00 -1.10 0.52 -0.72 0.68 0.00 0.00 175.17 174.55 2qry s TYR 122 N -2.70 -0.40 0.00 2.11 -0.85 -0.01 -1.79 117.35 113.71 2qry s TYR 122 Ca 0.17 0.14 -0.00 0.00 -0.52 0.00 0.00 57.07 56.86 2qry s TYR 122 Cb -0.03 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.75 2qry s TYR 122 CO 0.05 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 2qry n GLY 123 N -0.32 1.46 2.89 5.49 0.00 -0.03 -0.90 105.19 113.79 2qry n GLY 123 Ca -0.17 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 2qry n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qry s TYR 124 N -6.70 0.76 0.48 1.61 2.02 -1.26 -0.58 117.35 113.69 2qry s TYR 124 Ca 0.00 -0.21 -0.22 0.00 -0.37 0.00 0.00 57.07 56.27 2qry s TYR 124 Cb -0.00 -0.68 -0.07 0.00 -0.40 0.00 0.00 41.96 40.81 2qry s TYR 124 CO 0.00 -0.20 1.16 -0.06 -1.57 0.00 0.00 175.55 174.89 2qry s PHE 125 N 0.94 2.81 -0.16 2.71 0.08 -1.09 -0.68 117.98 122.58 2qry s PHE 125 Ca -0.11 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.18 2qry s PHE 125 Cb -0.14 -3.37 0.12 0.00 -0.57 0.00 0.00 43.02 39.06 2qry s PHE 125 CO 0.00 -1.56 0.97 0.00 -0.10 0.00 0.00 175.22 174.53 2qry s ALA 126 N -1.59 -1.92 0.00 5.36 0.00 -0.26 -4.52 121.76 118.83 2qry s ALA 126 Ca 0.66 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.92 2qry s ALA 126 Cb -0.28 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2qry s ALA 126 CO 0.33 -0.31 0.93 -0.06 0.00 0.00 0.00 175.76 176.65 2qry s PHE 127 N -0.97 3.66 0.06 0.00 0.40 -1.26 -0.52 117.98 119.35 2qry s PHE 127 Ca -0.02 1.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 2qry s PHE 127 Cb -0.01 -3.05 -0.04 0.00 0.51 0.00 0.00 43.02 40.43 2qry s PHE 127 CO 0.02 0.03 0.21 0.08 0.70 0.00 0.00 175.22 176.26 2qry s VAL 128 N 0.85 5.39 0.23 -0.44 1.01 0.64 -1.37 120.40 126.71 2qry s VAL 128 Ca 0.49 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 2qry s VAL 128 Cb -0.21 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2qry s VAL 128 CO 0.26 0.13 0.40 -0.72 0.00 0.00 0.00 175.10 175.17 2qry s TYR 129 N -1.52 0.48 -0.36 5.22 1.13 -0.69 -1.86 117.35 119.75 2qry s TYR 129 Ca 0.35 -0.82 -0.11 0.00 -1.41 0.00 0.00 57.07 55.08 2qry s TYR 129 Cb -0.13 0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 2qry s TYR 129 CO 0.28 -0.90 0.21 0.34 -2.51 0.00 0.00 175.55 172.97 2qry s ASP 130 N -3.03 5.78 0.61 -0.18 -1.08 -1.26 -1.87 116.67 115.64 2qry s ASP 130 Ca 0.24 -0.79 0.31 0.00 -0.52 0.00 0.00 52.55 51.79 2qry s ASP 130 Cb 0.01 -2.05 1.70 0.00 -1.46 0.00 0.00 42.92 41.12 2qry s ASP 130 CO 0.08 -0.33 2.05 0.11 0.52 0.00 0.00 175.17 177.60 2qry h LYS 131 N 8.45 0.00 0.00 4.34 1.57 -0.55 0.81 116.57 131.19 2qry h LYS 131 Ca -0.28 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 2qry h LYS 131 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2qry h LYS 131 CO 0.66 0.00 -0.43 -0.91 -0.57 0.00 0.00 179.45 178.20 2qry h ASN 132 N 0.00 0.00 0.00 0.86 2.35 -1.94 -3.35 115.58 113.50 2qry h ASN 132 Ca 0.08 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.55 2qry h ASN 132 Cb 0.61 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 2qry h ASN 132 CO -0.00 0.43 -2.07 0.29 -1.65 0.00 0.00 177.43 174.43 2qry n LYS 133 N -3.40 1.33 -3.68 0.81 5.02 -0.08 -4.83 118.16 113.33 2qry n LYS 133 Ca 0.01 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 2qry n LYS 133 Cb 0.60 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 2qry n LYS 133 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qry s LEU 134 N -5.29 5.41 0.14 -0.35 0.20 0.08 -4.94 118.68 113.93 2qry s LEU 134 Ca -0.10 -1.96 0.03 0.00 0.69 0.00 0.00 54.13 52.79 2qry s LEU 134 Cb 0.05 -1.91 -0.10 0.00 -0.43 0.00 0.00 46.19 43.80 2qry s LEU 134 CO 0.61 -0.60 1.31 0.11 -0.29 0.00 0.00 176.35 177.49 2qry h LYS 135 N 8.22 0.15 -2.23 1.98 1.79 -1.85 -3.40 116.57 121.22 2qry h LYS 135 Ca -0.17 -0.20 -0.58 0.00 -2.18 0.00 0.00 60.65 57.52 2qry h LYS 135 Cb 1.06 0.06 -0.40 0.00 -1.58 0.00 0.00 32.23 31.37 2qry h LYS 135 CO 0.76 1.01 -0.87 0.09 -1.08 0.00 0.00 179.45 179.36 2qry n ASN 136 N -3.55 1.49 -4.68 0.86 3.02 -1.26 -5.12 115.26 106.02 2qry n ASN 136 Ca -0.03 -2.93 -0.31 0.00 -0.03 0.00 0.00 54.58 51.28 2qry n ASN 136 Cb 0.88 -0.65 0.16 0.00 -0.61 0.00 0.00 39.78 39.56 2qry n ASN 136 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2qry s PRO 137 N -1.43 1.08 0.62 3.52 0.04 -1.26 -4.97 135.00 132.61 2qry s PRO 137 Ca 0.35 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 2qry s PRO 137 Cb 0.12 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.89 2qry s PRO 137 CO -0.10 -2.52 1.19 -1.25 0.04 0.00 0.00 177.00 174.36 2qry s PRO 138 N -4.70 2.81 -0.06 0.56 0.04 -1.26 -4.95 135.00 127.44 2qry s PRO 138 Ca 0.66 1.75 0.12 0.00 0.04 0.00 0.00 61.00 63.57 2qry s PRO 138 Cb -0.22 -1.92 0.35 0.00 0.04 0.00 0.00 34.50 32.76 2qry s PRO 138 CO 0.58 -1.32 1.29 1.04 0.04 0.00 0.00 177.00 178.63 2qry n GLN 139 N -1.89 2.86 -3.54 4.56 6.02 -1.26 -4.69 117.38 119.44 2qry n GLN 139 Ca 0.13 -2.27 -0.08 0.00 -0.01 0.00 0.00 57.00 54.78 2qry n GLN 139 Cb 0.50 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 2qry n GLN 139 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2qry s SER 140 N -1.32 -0.31 0.25 1.08 1.04 -1.26 -1.88 113.70 111.30 2qry s SER 140 Ca 0.28 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.71 2qry s SER 140 Cb 0.18 0.31 0.29 0.00 0.10 0.00 0.00 66.02 66.90 2qry s SER 140 CO 0.12 -0.48 1.88 0.25 0.98 0.00 0.00 173.24 175.99 2qry h LEU 141 N 2.08 1.05 -1.37 2.42 5.85 -1.94 -2.10 115.31 121.31 2qry h LEU 141 Ca -0.18 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2qry h LEU 141 Cb 1.21 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2qry h LEU 141 CO 0.29 0.84 0.33 0.11 -0.34 0.00 0.00 178.44 179.66 2qry h LYS 142 N 1.19 0.76 -0.18 1.25 1.57 -1.98 -1.47 116.57 117.70 2qry h LYS 142 Ca 0.30 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2qry h LYS 142 Cb 0.01 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2qry h LYS 142 CO -0.05 0.54 -0.24 1.49 -0.57 0.00 0.00 179.45 180.61 2qry h GLU 143 N 0.77 0.49 -0.48 3.15 4.81 -1.79 0.10 114.58 121.63 2qry h GLU 143 Ca 0.20 -0.28 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2qry h GLU 143 Cb -0.02 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 2qry h GLU 143 CO -0.04 0.87 0.08 1.25 -0.73 0.00 0.00 179.01 180.45 2qry h LEU 144 N 0.14 -0.02 0.27 1.64 5.85 -1.00 0.22 115.31 122.41 2qry h LEU 144 Ca 0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2qry h LEU 144 Cb 0.81 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2qry h LEU 144 CO 0.06 0.02 -0.13 0.58 -0.34 0.00 0.00 178.44 178.63 2qry h VAL 145 N 0.21 0.78 0.00 1.05 2.07 -1.19 -3.38 116.25 115.79 2qry h VAL 145 Ca 0.24 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 2qry h VAL 145 Cb 0.32 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2qry h VAL 145 CO -0.33 0.11 -1.22 -0.33 0.02 0.00 0.00 177.57 175.83 2qry h GLU 146 N -0.66 0.00 -6.46 1.57 5.08 -0.61 -3.40 114.58 110.10 2qry h GLU 146 Ca -0.04 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.75 2qry h GLU 146 Cb 0.46 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.89 2qry h GLU 146 CO 0.06 0.36 -0.55 0.45 -1.00 0.00 0.00 179.01 178.33 2qry n SER 147 N -2.98 -1.63 -0.01 1.42 2.88 0.76 -4.86 113.62 109.19 2qry n SER 147 Ca -0.07 0.66 0.13 0.00 -1.33 0.00 0.00 58.87 58.26 2qry n SER 147 Cb 0.83 -1.13 0.42 0.00 -0.75 0.00 0.00 64.21 63.58 2qry n SER 147 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qry n ASP 148 N 0.65 0.32 -4.74 -3.46 9.92 -1.26 -4.86 116.55 113.12 2qry n ASP 148 Ca 0.10 -0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.94 2qry n ASP 148 Cb 0.48 -0.06 -0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2qry n ASP 148 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qry n GLN 149 N -1.44 2.42 -1.61 -1.24 1.13 -1.26 -4.86 117.38 110.51 2qry n GLN 149 Ca 0.07 0.85 -0.32 0.00 -1.94 0.00 0.00 57.00 55.66 2qry n GLN 149 Cb 0.33 -2.51 -0.05 0.00 0.11 0.00 0.00 30.24 28.12 2qry n GLN 149 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qry n ASN 150 N 0.65 7.29 -4.74 1.08 3.02 -1.26 -4.95 115.26 116.34 2qry n ASN 150 Ca 0.03 -3.01 -0.41 0.00 -0.03 0.00 0.00 54.58 51.16 2qry n ASN 150 Cb 0.37 -1.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.16 2qry n ASN 150 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2qry s TRP 151 N -0.63 3.17 -0.10 3.10 0.51 -1.26 -5.00 118.94 118.72 2qry s TRP 151 Ca 0.59 1.14 -0.12 0.00 -2.12 0.00 0.00 56.10 55.59 2qry s TRP 151 Cb 0.27 -3.68 -0.05 0.00 -0.81 0.00 0.00 33.47 29.19 2qry s TRP 151 CO -0.12 -2.18 0.28 1.03 -0.51 0.00 0.00 176.95 175.44 2qry s ARG 152 N -0.16 3.92 0.05 4.98 0.52 -1.26 -4.69 118.95 122.31 2qry s ARG 152 Ca 0.58 0.11 0.05 0.00 -0.52 0.00 0.00 55.73 55.95 2qry s ARG 152 Cb -0.38 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 31.76 2qry s ARG 152 CO 0.40 0.53 -0.13 0.08 0.02 0.00 0.00 175.30 176.19 2qry s VAL 153 N -0.42 1.05 -0.02 3.52 1.01 0.10 -0.63 120.40 125.03 2qry s VAL 153 Ca 0.18 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2qry s VAL 153 Cb -0.14 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 2qry s VAL 153 CO 0.06 -0.10 -0.09 -0.63 0.00 0.00 0.00 175.10 174.35 2qry s ILE 154 N -1.01 0.73 0.15 2.22 1.01 -0.80 -0.30 121.20 123.19 2qry s ILE 154 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2qry s ILE 154 Cb -0.09 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 2qry s ILE 154 CO 0.01 0.22 0.18 0.00 0.00 0.00 0.00 174.94 175.35 2qry n TYR 155 N 3.11 -0.70 -4.34 3.97 0.18 -1.23 -1.98 117.16 116.17 2qry n TYR 155 Ca -0.16 -1.05 -0.24 0.00 1.88 0.00 0.00 57.90 58.32 2qry n TYR 155 Cb 0.55 0.20 -0.09 0.00 -0.38 0.00 0.00 39.34 39.63 2qry n TYR 155 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2qry s GLN 156 N -2.41 2.07 -0.14 -3.48 1.11 -1.26 -2.06 119.66 113.48 2qry s GLN 156 Ca 0.14 -1.46 -0.29 0.00 0.01 0.00 0.00 55.36 53.75 2qry s GLN 156 Cb -0.00 -2.06 -0.04 0.00 -1.01 0.00 0.00 33.01 29.90 2qry s GLN 156 CO 0.10 0.38 1.61 0.34 0.01 0.00 0.00 175.29 177.72 2qry s ASP 157 N -3.37 6.55 0.31 5.90 -1.08 0.39 -4.38 116.67 120.99 2qry s ASP 157 Ca 0.29 1.91 0.20 0.00 -0.52 0.00 0.00 52.55 54.43 2qry s ASP 157 Cb -0.07 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 39.94 2qry s ASP 157 CO 0.17 -1.07 1.60 -0.81 0.52 0.00 0.00 175.17 175.57 2qry n PRO 158 N 7.34 0.13 0.00 4.34 -0.04 -1.26 -0.99 135.00 144.52 2qry n PRO 158 Ca 0.18 0.63 0.13 0.00 -0.04 0.00 0.00 63.50 64.40 2qry n PRO 158 Cb 0.44 -1.96 0.49 0.00 -0.04 0.00 0.00 33.50 32.43 2qry n PRO 158 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qry n ARG 159 N -2.20 0.64 0.00 0.54 1.74 -1.26 -4.30 116.66 111.82 2qry n ARG 159 Ca -0.01 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 2qry n ARG 159 Cb 0.06 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2qry n ARG 159 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qry n THR 160 N -0.92 0.00 -4.13 0.55 -2.24 -0.47 -4.37 114.28 102.70 2qry n THR 160 Ca 0.12 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.56 2qry n THR 160 Cb 0.31 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 2qry n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qry s SER 161 N -1.88 5.49 0.23 3.42 0.15 -0.16 -1.48 113.70 119.48 2qry s SER 161 Ca 0.00 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.71 2qry s SER 161 Cb 0.00 -1.85 0.25 0.00 -1.71 0.00 0.00 66.02 62.72 2qry s SER 161 CO 0.00 0.23 1.68 0.71 1.20 0.00 0.00 173.24 177.07 2qry h THR 162 N 4.69 1.26 0.00 6.45 1.35 -1.89 0.19 112.91 124.97 2qry h THR 162 Ca -0.40 -1.21 -0.07 0.00 -0.55 0.00 0.00 66.41 64.18 2qry h THR 162 Cb 1.18 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2qry h THR 162 CO 0.65 0.41 -0.33 -0.65 -0.25 0.00 0.00 175.52 175.35 2qry h PRO 163 N 0.68 0.00 -0.38 4.72 0.11 -1.94 0.19 132.00 135.38 2qry h PRO 163 Ca 0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 2qry h PRO 163 Cb 0.62 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 2qry h PRO 163 CO 0.04 0.33 -0.12 0.78 -0.21 0.00 0.00 178.00 178.83 2qry h GLY 164 N 1.32 0.82 1.39 -0.55 0.00 -1.43 -1.78 103.07 102.83 2qry h GLY 164 Ca -0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 2qry h GLY 164 CO 0.04 0.63 -0.06 -2.00 0.00 0.00 0.00 176.54 175.15 2qry h LEU 165 N 0.55 0.71 -0.54 3.11 6.46 -0.02 -2.41 115.31 123.18 2qry h LEU 165 Ca 0.09 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.69 2qry h LEU 165 Cb 0.64 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 2qry h LEU 165 CO 0.04 0.82 0.32 1.23 -0.62 0.00 0.00 178.44 180.23 2qry h GLY 166 N 0.97 0.77 1.17 3.75 0.00 -0.29 -1.74 103.07 107.70 2qry h GLY 166 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 2qry h GLY 166 CO 0.03 0.20 0.04 -2.00 0.00 0.00 0.00 176.54 174.81 2qry h LEU 167 N 0.64 0.98 -0.67 3.11 5.85 -1.01 0.15 115.31 124.35 2qry h LEU 167 Ca 0.22 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2qry h LEU 167 Cb 0.04 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 2qry h LEU 167 CO -0.10 1.01 0.41 0.25 -0.34 0.00 0.00 178.44 179.66 2qry h LEU 168 N 0.94 0.66 -0.42 2.25 7.12 -1.02 -2.30 115.31 122.54 2qry h LEU 168 Ca 0.18 0.01 -0.17 0.00 0.13 0.00 0.00 57.88 58.02 2qry h LEU 168 Cb 0.48 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 2qry h LEU 168 CO 0.02 0.45 -0.79 -0.07 -0.13 0.00 0.00 178.44 177.92 2qry h LEU 169 N 0.79 0.14 -1.13 2.25 3.38 -0.97 -1.97 115.31 117.80 2qry h LEU 169 Ca 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2qry h LEU 169 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qry h LEU 169 CO -0.12 0.87 0.00 1.87 0.09 0.00 0.00 178.44 181.15 2qry n TRP 170 N -3.68 0.00 0.00 1.13 -0.00 0.49 -0.76 117.44 114.63 2qry n TRP 170 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2qry n TRP 170 Cb 0.75 -0.04 0.00 0.00 -0.00 0.00 0.00 31.31 32.02 2qry n TRP 170 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2qry n GLN 172 N 0.44 0.00 -0.22 5.87 -0.06 -0.74 -1.86 117.38 120.80 2qry n GLN 172 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 2qry n GLN 172 Cb 0.07 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.28 2qry n GLN 172 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2qry h LYS 173 N 0.00 1.06 0.11 3.69 1.79 -1.23 0.68 116.57 122.66 2qry h LYS 173 Ca 0.00 -0.29 -0.27 0.00 -2.18 0.00 0.00 60.65 57.91 2qry h LYS 173 Cb 0.00 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2qry h LYS 173 CO 0.00 0.98 -1.30 0.28 -1.08 0.00 0.00 179.45 178.34 2qry h VAL 174 N 0.97 1.43 0.00 0.50 2.07 -1.63 -3.40 116.25 116.18 2qry h VAL 174 Ca 0.19 -3.03 -0.05 0.00 0.82 0.00 0.00 66.70 64.63 2qry h VAL 174 Cb 0.45 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2qry h VAL 174 CO 0.01 0.87 -1.52 -1.22 0.02 0.00 0.00 177.57 175.74 2qry n TYR 175 N -3.48 0.00 0.00 1.57 4.02 -1.23 -5.07 117.16 112.98 2qry n TYR 175 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 2qry n TYR 175 Cb 1.02 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 2qry n TYR 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qry n GLY 176 N 2.05 3.72 0.01 2.72 0.00 0.23 -1.59 105.19 112.32 2qry n GLY 176 Ca -0.05 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2qry n GLY 176 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qry n ASP 177 N 5.55 0.03 -1.44 1.61 8.00 -1.26 -1.91 116.55 127.13 2qry n ASP 177 Ca 0.00 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.11 2qry n ASP 177 Cb 0.00 -0.52 0.33 0.00 -0.02 0.00 0.00 41.12 40.92 2qry n ASP 177 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qry n ASP 178 N -1.54 4.22 -0.18 -2.24 8.00 -0.62 -4.43 116.55 119.77 2qry n ASP 178 Ca 0.02 -2.22 -0.02 0.00 0.71 0.00 0.00 54.79 53.28 2qry n ASP 178 Cb 0.10 -0.52 0.19 0.00 -0.02 0.00 0.00 41.12 40.87 2qry n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qry h ALA 179 N 4.20 1.27 -0.20 2.24 0.00 -1.52 -2.35 119.26 122.90 2qry h ALA 179 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qry h ALA 179 Cb 1.19 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2qry h ALA 179 CO 0.12 0.55 -0.18 -1.35 0.00 0.00 0.00 179.25 178.38 2qry h PRO 180 N 0.91 -0.19 -0.49 0.00 0.11 -1.84 0.28 132.00 130.79 2qry h PRO 180 Ca 0.22 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 2qry h PRO 180 Cb 0.16 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2qry h PRO 180 CO -0.02 -0.12 -0.05 1.96 -0.21 0.00 0.00 178.00 179.55 2qry h GLN 181 N -0.19 0.86 -0.73 1.05 4.20 -1.87 -2.30 115.11 116.13 2qry h GLN 181 Ca 0.12 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2qry h GLN 181 Cb 0.38 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 2qry h GLN 181 CO -0.32 0.89 0.47 0.00 -0.67 0.00 0.00 178.83 179.21 2qry h ALA 182 N 1.15 0.93 -0.09 3.87 0.00 -0.82 -2.03 119.26 122.27 2qry h ALA 182 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2qry h ALA 182 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qry h ALA 182 CO 0.03 0.37 -0.17 -1.49 0.00 0.00 0.00 179.25 177.99 2qry h TRP 183 N 0.99 0.14 -0.34 0.00 4.06 -0.03 -1.42 115.95 119.35 2qry h TRP 183 Ca 0.27 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 61.10 2qry h TRP 183 Cb -0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 2qry h TRP 183 CO -0.02 0.30 -0.21 1.96 -3.56 0.00 0.00 178.44 176.92 2qry h GLN 184 N 0.13 0.66 -0.12 0.49 4.20 -0.84 0.02 115.11 119.65 2qry h GLN 184 Ca 0.03 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.36 2qry h GLN 184 Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2qry h GLN 184 CO 0.02 0.82 -0.43 0.87 -0.67 0.00 0.00 178.83 179.44 2qry h LYS 185 N 0.58 0.51 -0.31 1.46 1.57 -1.01 -3.12 116.57 116.25 2qry h LYS 185 Ca 0.09 -0.38 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 2qry h LYS 185 Cb 0.67 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2qry h LYS 185 CO 0.05 1.01 -0.01 1.25 -0.57 0.00 0.00 179.45 181.17 2qry h LEU 186 N 0.11 0.44 -1.31 2.94 6.46 -1.15 -2.22 115.31 120.58 2qry h LEU 186 Ca -0.02 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2qry h LEU 186 Cb 1.06 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.82 2qry h LEU 186 CO 0.09 0.52 0.51 0.00 -0.62 0.00 0.00 178.44 178.94 2qry h ALA 187 N 1.54 1.67 0.00 1.25 0.00 -0.93 -0.29 119.26 122.50 2qry h ALA 187 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qry h ALA 187 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qry h ALA 187 CO 0.01 0.20 0.00 0.87 0.00 0.00 0.00 179.25 180.33 2qry h LYS 188 N 0.82 0.00 -0.25 0.00 1.57 -1.37 -1.35 116.57 115.97 2qry h LYS 188 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2qry h LYS 188 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2qry h LYS 188 CO -0.12 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.39 2qry n LYS 189 N -2.67 2.00 -2.97 3.15 5.02 -0.18 -4.95 118.16 117.56 2qry n LYS 189 Ca 0.00 -1.86 -0.42 0.00 -2.02 0.00 0.00 58.31 54.01 2qry n LYS 189 Cb 0.20 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 2qry n LYS 189 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qry s THR 190 N -1.16 4.74 -0.03 -0.18 2.01 -0.51 0.03 115.64 120.55 2qry s THR 190 Ca 0.26 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 62.87 2qry s THR 190 Cb 0.15 -4.20 -0.19 0.00 0.01 0.00 0.00 72.50 68.27 2qry s THR 190 CO 0.21 -0.43 1.15 0.58 -0.69 0.00 0.00 174.62 175.44 2qry h VAL 191 N 5.75 1.13 -2.63 3.82 2.07 -0.96 -3.47 116.25 121.96 2qry h VAL 191 Ca -0.25 -1.06 0.13 0.00 0.82 0.00 0.00 66.70 66.34 2qry h VAL 191 Cb 1.09 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 2qry h VAL 191 CO 0.91 0.25 0.38 0.28 0.02 0.00 0.00 177.57 179.41 2qry s THR 192 N -4.08 0.00 -0.05 2.57 -1.32 -1.25 -5.08 115.64 106.42 2qry s THR 192 Ca -0.15 -0.81 0.02 0.00 -1.21 0.00 0.00 61.69 59.55 2qry s THR 192 Cb 0.01 -2.09 0.01 0.00 -1.51 0.00 0.00 72.50 68.92 2qry s THR 192 CO 0.60 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.21 2qry s VAL 193 N -3.41 1.02 0.29 5.08 1.01 -1.26 -3.47 120.40 119.65 2qry s VAL 193 Ca 0.12 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2qry s VAL 193 Cb -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2qry s VAL 193 CO 0.05 0.32 0.05 0.42 0.00 0.00 0.00 175.10 175.94 2qry s THR 194 N 0.51 3.36 0.23 3.92 -4.23 -0.88 -4.89 115.64 113.68 2qry s THR 194 Ca -0.10 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 2qry s THR 194 Cb -0.14 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 2qry s THR 194 CO 0.02 -0.31 1.54 0.11 -0.54 0.00 0.00 174.62 175.45 2qry h LYS 195 N 1.75 0.19 -4.73 3.99 1.57 -1.92 0.11 116.57 117.53 2qry h LYS 195 Ca -0.44 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 57.95 2qry h LYS 195 Cb 1.25 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 2qry h LYS 195 CO 0.62 0.77 -0.69 0.20 -0.57 0.00 0.00 179.45 179.77 2qry s GLY 196 N -4.38 0.89 0.12 3.86 0.00 -1.26 -3.42 107.32 103.13 2qry s GLY 196 Ca -0.03 -1.41 -0.21 0.00 0.00 0.00 0.00 44.72 43.06 2qry s GLY 196 CO 0.80 -1.49 1.70 -0.25 0.00 0.00 0.00 173.10 173.86 2qry h TRP 197 N 2.89 -0.15 -0.67 1.90 7.01 -1.97 -3.19 115.95 121.78 2qry h TRP 197 Ca -0.36 0.01 0.14 0.00 2.11 0.00 0.00 58.89 60.80 2qry h TRP 197 Cb 1.18 0.09 -0.12 0.00 -2.10 0.00 0.00 29.16 28.20 2qry h TRP 197 CO 0.59 -0.10 -0.02 0.77 -2.79 0.00 0.00 178.44 176.88 2qry h SER 198 N -0.05 -0.35 -0.05 2.65 0.02 -1.99 0.32 113.55 114.09 2qry h SER 198 Ca 0.07 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2qry h SER 198 Cb 0.16 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2qry h SER 198 CO -0.16 -0.15 0.02 -0.08 -1.14 0.00 0.00 176.83 175.32 2qry h GLU 199 N 0.09 0.08 -0.41 3.45 4.81 -1.99 -0.84 114.58 119.79 2qry h GLU 199 Ca 0.35 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.63 2qry h GLU 199 Cb 0.58 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 2qry h GLU 199 CO -0.60 0.25 0.03 0.00 -0.73 0.00 0.00 179.01 177.97 2qry h ALA 200 N 0.83 0.41 -0.41 2.92 0.00 -1.34 0.88 119.26 122.55 2qry h ALA 200 Ca 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2qry h ALA 200 Cb 0.20 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2qry h ALA 200 CO -0.00 -0.37 -0.19 -0.92 0.00 0.00 0.00 179.25 177.78 2qry h TYR 201 N 0.15 0.88 -0.63 0.00 5.03 -0.90 -1.98 116.97 119.51 2qry h TYR 201 Ca 0.20 -0.19 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 2qry h TYR 201 Cb 0.27 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 2qry h TYR 201 CO -0.24 0.90 0.29 0.78 -1.32 0.00 0.00 178.16 178.57 2qry h GLY 202 N 0.97 0.99 1.13 1.82 0.00 -0.40 -0.88 103.07 106.70 2qry h GLY 202 Ca 0.10 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2qry h GLY 202 CO 0.05 0.48 0.46 1.41 0.00 0.00 0.00 176.54 178.94 2qry h LEU 203 N 0.88 1.02 -0.05 3.11 3.38 -0.61 -2.05 115.31 120.99 2qry h LEU 203 Ca 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qry h LEU 203 Cb 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qry h LEU 203 CO -0.02 0.81 0.03 0.15 0.09 0.00 0.00 178.44 179.50 2qry h PHE 204 N 1.15 0.07 0.00 1.13 3.57 -0.79 -1.53 116.94 120.54 2qry h PHE 204 Ca 0.29 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2qry h PHE 204 Cb 0.01 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2qry h PHE 204 CO 0.01 0.13 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.13 2qry h LEU 205 N -0.01 0.00 -0.69 0.59 3.38 -0.82 0.19 115.31 117.95 2qry h LEU 205 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qry h LEU 205 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qry h LEU 205 CO -0.00 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.84 2qry n LYS 206 N -3.96 1.44 -1.05 1.13 5.02 -0.80 -4.90 118.16 115.04 2qry n LYS 206 Ca -0.03 -0.68 -0.02 0.00 -2.02 0.00 0.00 58.31 55.57 2qry n LYS 206 Cb 0.11 -1.20 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 2qry n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qry n GLY 207 N 0.85 0.53 0.00 0.72 0.00 0.66 -4.92 105.19 103.04 2qry n GLY 207 Ca 0.08 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.83 2qry n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qry n GLU 208 N -2.46 0.02 -3.73 1.61 -0.58 -0.62 -4.82 120.64 110.07 2qry n GLU 208 Ca -0.02 0.18 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 2qry n GLU 208 Cb 0.12 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.45 2qry n GLU 208 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2qry s SER 209 N -2.96 -0.24 0.11 1.62 1.04 -1.26 -4.90 113.70 107.11 2qry s SER 209 Ca 0.10 -0.47 0.18 0.00 0.48 0.00 0.00 55.95 56.24 2qry s SER 209 Cb 0.12 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.69 2qry s SER 209 CO 0.33 -1.00 0.90 0.44 0.98 0.00 0.00 173.24 174.89 2qry h ASP 210 N 2.26 0.00 -4.59 7.02 3.32 -1.19 -3.47 116.42 119.78 2qry h ASP 210 Ca -0.30 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.59 2qry h ASP 210 Cb 1.26 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.58 2qry h ASP 210 CO 0.40 0.41 -0.51 -0.76 -1.72 0.00 0.00 179.24 177.06 2qry s LEU 211 N -5.67 1.53 0.01 1.55 1.43 -0.68 -4.31 118.68 112.55 2qry s LEU 211 Ca -0.02 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2qry s LEU 211 Cb 0.09 0.61 -0.01 0.00 0.03 0.00 0.00 46.19 46.90 2qry s LEU 211 CO 0.80 -0.26 -0.06 0.68 0.23 0.00 0.00 176.35 177.74 2qry s VAL 212 N -0.91 0.45 -0.25 -1.59 -7.23 -0.77 -1.91 120.40 108.20 2qry s VAL 212 Ca -0.10 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.25 2qry s VAL 212 Cb -0.06 -0.44 -0.00 0.00 0.56 0.00 0.00 36.38 36.44 2qry s VAL 212 CO 0.01 -0.07 1.28 -0.22 -0.31 0.00 0.00 175.10 175.80 2qry s LEU 213 N -0.66 3.99 0.00 1.32 2.96 -0.84 -0.26 118.68 125.20 2qry s LEU 213 Ca -0.02 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 2qry s LEU 213 Cb -0.05 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2qry s LEU 213 CO 0.00 -0.96 0.00 -0.24 -1.32 0.00 0.00 176.35 173.83 2qry n SER 214 N 7.24 0.39 -4.22 3.68 2.88 0.32 -4.86 113.62 119.05 2qry n SER 214 Ca 0.14 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.52 2qry n SER 214 Cb 0.46 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 2qry n SER 214 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2qry s TYR 215 N 2.69 1.28 0.19 0.66 1.51 -1.24 -1.10 117.35 121.34 2qry s TYR 215 Ca 0.00 -0.58 0.33 0.00 -1.01 0.00 0.00 57.07 55.80 2qry s TYR 215 Cb 0.00 -0.68 1.74 0.00 -0.11 0.00 0.00 41.96 42.91 2qry s TYR 215 CO 0.00 0.09 2.00 1.79 -1.11 0.00 0.00 175.55 178.32 2qry h THR 216 N 3.57 0.00 -0.00 -0.71 1.35 -1.17 -0.07 112.91 115.88 2qry h THR 216 Ca -0.39 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2qry h THR 216 Cb 1.19 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2qry h THR 216 CO 0.51 0.00 -0.62 0.35 -0.25 0.00 0.00 175.52 175.51 2qry n THR 217 N -2.66 0.00 -0.15 6.82 -2.24 -1.26 -4.38 114.28 110.41 2qry n THR 217 Ca -0.02 -0.07 0.10 0.00 -2.27 0.00 0.00 64.05 61.79 2qry n THR 217 Cb 0.07 0.71 0.42 0.00 -2.10 0.00 0.00 70.33 69.43 2qry n THR 217 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qry h SER 218 N 0.65 0.52 -0.02 3.42 0.02 -1.23 -1.83 113.55 115.08 2qry h SER 218 Ca 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2qry h SER 218 Cb 0.55 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2qry h SER 218 CO 0.00 0.32 -0.01 -0.65 -1.14 0.00 0.00 176.83 175.35 2qry h PRO 219 N 0.59 0.11 -0.54 3.45 0.11 -1.77 -2.19 132.00 131.76 2qry h PRO 219 Ca 0.31 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.53 2qry h PRO 219 Cb 0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 2qry h PRO 219 CO -0.10 0.14 0.38 0.00 -0.21 0.00 0.00 178.00 178.20 2qry h ALA 220 N 1.88 2.22 0.22 -0.75 0.00 -1.63 -1.15 119.26 120.04 2qry h ALA 220 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qry h ALA 220 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qry h ALA 220 CO 0.00 -0.36 -0.11 -0.92 0.00 0.00 0.00 179.25 177.87 2qry h TYR 221 N 0.22 -0.28 -0.40 0.00 3.20 -1.53 -1.37 116.97 116.81 2qry h TYR 221 Ca 0.26 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 2qry h TYR 221 Cb 0.72 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 2qry h TYR 221 CO -0.00 -0.17 -0.16 0.45 -1.64 0.00 0.00 178.16 176.64 2qry h HIS 222 N -0.30 0.84 0.41 -3.82 3.86 -1.41 0.56 115.15 115.30 2qry h HIS 222 Ca -0.03 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 2qry h HIS 222 Cb 0.23 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2qry h HIS 222 CO -0.06 0.86 -0.20 0.82 0.86 0.00 0.00 177.93 180.21 2qry h ILE 223 N 0.67 0.60 0.15 2.45 2.04 -0.58 -0.15 117.51 122.69 2qry h ILE 223 Ca 0.11 -0.15 -0.29 0.00 1.00 0.00 0.00 64.86 65.53 2qry h ILE 223 Cb 0.65 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2qry h ILE 223 CO 0.05 0.03 -1.30 -0.07 0.00 0.00 0.00 178.15 176.85 2qry h LEU 224 N -0.64 0.48 0.00 1.44 4.07 -1.26 -2.60 115.31 116.80 2qry h LEU 224 Ca -0.06 -0.53 -0.22 0.00 0.08 0.00 0.00 57.88 57.16 2qry h LEU 224 Cb 0.47 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 2qry h LEU 224 CO 0.09 1.42 -1.48 -0.33 -1.08 0.00 0.00 178.44 177.05 2qry h GLU 225 N 0.08 0.00 0.00 1.13 4.39 -0.99 -3.39 114.58 115.81 2qry h GLU 225 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2qry h GLU 225 Cb 2.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 2qry h GLU 225 CO 0.21 0.41 -0.00 0.39 -1.16 0.00 0.00 179.01 178.86 2qry n GLU 226 N -2.99 2.61 -2.62 2.33 1.02 -0.59 -4.98 120.64 115.42 2qry n GLU 226 Ca -0.12 -1.46 -0.10 0.00 -0.02 0.00 0.00 57.16 55.47 2qry n GLU 226 Cb 0.93 -0.97 -0.01 0.00 -0.02 0.00 0.00 31.44 31.37 2qry n GLU 226 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qry n LYS 227 N -0.50 -2.61 -4.29 3.49 4.01 -0.80 -4.91 118.16 112.56 2qry n LYS 227 Ca 0.01 0.35 -0.34 0.00 -0.51 0.00 0.00 58.31 57.81 2qry n LYS 227 Cb 0.30 -4.92 -0.13 0.00 -0.51 0.00 0.00 35.03 29.77 2qry n LYS 227 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qry s LYS 228 N -5.19 3.59 -0.09 1.97 1.02 -0.17 -4.95 119.74 115.92 2qry s LYS 228 Ca 0.07 -0.55 0.13 0.00 0.02 0.00 0.00 55.97 55.64 2qry s LYS 228 Cb -0.04 -2.94 0.37 0.00 -0.52 0.00 0.00 37.83 34.70 2qry s LYS 228 CO 0.08 0.12 1.29 -0.25 -0.92 0.00 0.00 175.35 175.68 2qry n ASP 229 N 3.88 3.20 0.09 2.83 9.92 -1.26 -1.95 116.55 133.27 2qry n ASP 229 Ca -0.17 -2.52 0.13 0.00 -0.53 0.00 0.00 54.79 51.69 2qry n ASP 229 Cb 0.52 -0.36 0.37 0.00 -0.64 0.00 0.00 41.12 41.01 2qry n ASP 229 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2qry n ASN 230 N -0.17 0.78 -4.83 -2.24 6.94 -1.26 -4.81 115.26 109.66 2qry n ASN 230 Ca 0.15 0.50 -0.37 0.00 -0.02 0.00 0.00 54.58 54.84 2qry n ASN 230 Cb 0.63 -0.63 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2qry n ASN 230 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2qry s TYR 231 N -3.11 3.71 0.07 -2.53 1.51 -1.26 0.12 117.35 115.86 2qry s TYR 231 Ca 0.10 1.13 -0.08 0.00 -1.01 0.00 0.00 57.07 57.21 2qry s TYR 231 Cb 0.13 -2.41 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 2qry s TYR 231 CO 0.62 0.53 0.17 0.00 -1.11 0.00 0.00 175.55 175.75 2qry s ALA 232 N -1.26 -0.20 -0.25 3.71 0.00 -0.78 -4.81 121.76 118.17 2qry s ALA 232 Ca 0.32 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 2qry s ALA 232 Cb -0.17 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2qry s ALA 232 CO 0.18 -0.45 0.12 0.00 0.00 0.00 0.00 175.76 175.61 2qry s ALA 233 N -3.45 3.35 0.19 0.00 0.00 -1.26 -1.70 121.76 118.88 2qry s ALA 233 Ca 0.02 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 2qry s ALA 233 Cb 0.03 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 2qry s ALA 233 CO -0.09 -0.42 1.38 0.00 0.00 0.00 0.00 175.76 176.63 2qry s ALA 234 N 1.50 3.58 -0.26 0.00 0.00 -0.47 -4.99 121.76 121.12 2qry s ALA 234 Ca 0.06 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2qry s ALA 234 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2qry s ALA 234 CO 0.06 -0.62 0.49 -0.80 0.00 0.00 0.00 175.76 174.89 2qry s ASN 235 N 0.54 6.41 -0.19 0.00 0.01 -1.26 -4.52 114.94 115.92 2qry s ASN 235 Ca 0.60 0.49 -0.09 0.00 -0.71 0.00 0.00 52.86 53.14 2qry s ASN 235 Cb -0.38 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 38.96 2qry s ASN 235 CO 0.38 -0.27 0.11 -0.36 -1.51 0.00 0.00 177.10 175.45 2qry s PHE 236 N 2.27 3.37 0.56 2.20 0.08 -1.26 -4.33 117.98 120.87 2qry s PHE 236 Ca 0.20 0.27 0.26 0.00 0.12 0.00 0.00 56.93 57.78 2qry s PHE 236 Cb -0.16 -2.14 1.50 0.00 -0.57 0.00 0.00 43.02 41.66 2qry s PHE 236 CO 0.09 0.26 2.05 0.66 -0.10 0.00 0.00 175.22 178.18 2qry h SER 237 N 6.66 0.00 1.18 1.36 4.64 -1.74 -1.24 113.55 124.42 2qry h SER 237 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2qry h SER 237 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2qry h SER 237 CO 0.75 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.38 2qry h GLU 238 N 0.00 0.00 0.00 4.77 3.07 -1.94 -3.47 114.58 117.00 2qry h GLU 238 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2qry h GLU 238 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2qry h GLU 238 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2qry n GLY 239 N 0.26 1.56 3.23 -3.84 0.00 -0.47 -4.90 105.19 101.03 2qry n GLY 239 Ca 0.01 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 2qry n GLY 239 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qry s HIS 240 N -1.69 1.74 0.14 1.61 3.76 -0.52 -4.80 115.29 115.53 2qry s HIS 240 Ca 0.00 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 2qry s HIS 240 Cb 0.00 -1.04 -0.07 0.00 1.11 0.00 0.00 32.58 32.58 2qry s HIS 240 CO 0.00 0.08 1.08 -0.47 -0.85 0.00 0.00 174.74 174.58 2qry s TYR 241 N -0.79 3.63 0.13 1.40 6.14 -1.26 -0.38 117.35 126.22 2qry s TYR 241 Ca 0.07 1.61 -0.22 0.00 0.64 0.00 0.00 57.07 59.17 2qry s TYR 241 Cb -0.09 -3.24 -0.07 0.00 0.42 0.00 0.00 41.96 38.98 2qry s TYR 241 CO 0.02 -0.49 0.67 -1.17 0.64 0.00 0.00 175.55 175.22 2qry s LEU 242 N -0.07 4.54 -0.05 6.97 0.20 -0.16 -2.69 118.68 127.43 2qry s LEU 242 Ca 0.50 1.43 0.04 0.00 0.69 0.00 0.00 54.13 56.79 2qry s LEU 242 Cb -0.28 -3.14 0.00 0.00 -0.43 0.00 0.00 46.19 42.35 2qry s LEU 242 CO 0.33 0.22 -0.16 -1.58 -0.29 0.00 0.00 176.35 174.87 2qry s GLN 243 N -1.23 1.70 -0.28 1.98 0.74 0.26 -4.93 119.66 117.90 2qry s GLN 243 Ca 0.33 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 55.21 2qry s GLN 243 Cb -0.21 -1.47 0.08 0.00 1.10 0.00 0.00 33.01 32.52 2qry s GLN 243 CO 0.22 0.19 0.01 0.08 -0.55 0.00 0.00 175.29 175.25 2qry s VAL 244 N 0.16 1.52 0.24 1.34 1.01 -1.26 -0.85 120.40 122.56 2qry s VAL 244 Ca -0.06 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 2qry s VAL 244 Cb -0.12 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 2qry s VAL 244 CO 0.02 -0.37 1.07 -1.61 0.00 0.00 0.00 175.10 174.21 2qry s GLU 245 N 1.34 4.67 0.33 2.72 2.02 -0.74 -1.31 118.70 127.73 2qry s GLU 245 Ca 0.02 1.72 0.03 0.00 0.02 0.00 0.00 54.97 56.76 2qry s GLU 245 Cb -0.18 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.76 2qry s GLU 245 CO -0.12 0.24 0.07 0.14 0.02 0.00 0.00 175.26 175.61 2qry s VAL 246 N -0.92 1.04 0.06 2.63 -7.23 0.72 -1.30 120.40 115.40 2qry s VAL 246 Ca 0.45 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2qry s VAL 246 Cb -0.30 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2qry s VAL 246 CO 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 175.14 2qry s ALA 247 N -3.35 0.55 -0.02 1.32 0.00 0.04 -1.66 121.76 118.64 2qry s ALA 247 Ca 0.35 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2qry s ALA 247 Cb 0.08 0.29 0.09 0.00 0.00 0.00 0.00 23.12 23.59 2qry s ALA 247 CO 0.15 -0.37 0.78 0.00 0.00 0.00 0.00 175.76 176.33 2qry s ALA 248 N -3.91 -1.79 0.06 0.00 0.00 -0.67 -1.03 121.76 114.43 2qry s ALA 248 Ca 0.08 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 2qry s ALA 248 Cb 0.08 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2qry s ALA 248 CO -0.09 -0.51 0.24 -0.98 0.00 0.00 0.00 175.76 174.42 2qry s ARG 249 N -2.12 3.48 0.38 0.00 1.70 -1.26 -0.96 118.95 120.17 2qry s ARG 249 Ca -0.03 -0.34 -0.19 0.00 -0.47 0.00 0.00 55.73 54.70 2qry s ARG 249 Cb -0.01 -3.01 -0.10 0.00 -0.57 0.00 0.00 34.95 31.26 2qry s ARG 249 CO -0.01 0.59 0.86 0.95 -1.08 0.00 0.00 175.30 176.61 2qry s THR 250 N -1.50 4.50 0.25 4.99 -4.23 0.27 -1.66 115.64 118.25 2qry s THR 250 Ca 0.35 1.28 0.19 0.00 -1.18 0.00 0.00 61.69 62.33 2qry s THR 250 Cb -0.13 -3.63 0.15 0.00 1.34 0.00 0.00 72.50 70.23 2qry s THR 250 CO 0.26 -0.23 1.80 0.00 -0.54 0.00 0.00 174.62 175.91 2qry h ALA 251 N 2.16 1.11 0.00 3.99 0.00 -1.50 -2.98 119.26 122.03 2qry h ALA 251 Ca -0.48 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2qry h ALA 251 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qry h ALA 251 CO 0.63 0.42 -0.24 0.00 0.00 0.00 0.00 179.25 180.06 2qry n ALA 252 N -2.32 2.54 -1.44 0.00 0.00 -1.26 -4.94 120.51 113.08 2qry n ALA 252 Ca -0.01 -0.11 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 2qry n ALA 252 Cb 0.45 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 2qry n ALA 252 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qry n SER 253 N -2.18 -0.88 -1.40 0.00 2.88 -1.13 -4.86 113.62 106.05 2qry n SER 253 Ca 0.05 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.72 2qry n SER 253 Cb 0.43 -1.06 0.33 0.00 -0.75 0.00 0.00 64.21 63.16 2qry n SER 253 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qry n LYS 254 N 0.86 2.86 -2.72 -1.46 5.02 -1.26 -4.33 118.16 117.12 2qry n LYS 254 Ca 0.13 -2.71 -0.16 0.00 -2.02 0.00 0.00 58.31 53.55 2qry n LYS 254 Cb 0.34 -1.62 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 2qry n LYS 254 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qry n GLN 255 N 1.62 1.76 -0.04 1.97 1.13 -1.26 -4.97 117.38 117.58 2qry n GLN 255 Ca 0.25 -3.66 -0.08 0.00 -1.94 0.00 0.00 57.00 51.57 2qry n GLN 255 Cb 0.66 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 29.39 2qry n GLN 255 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2qry h PRO 256 N 2.90 -0.14 -0.34 -1.09 0.13 -1.94 0.20 132.00 131.72 2qry h PRO 256 Ca 0.04 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2qry h PRO 256 Cb 1.04 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2qry h PRO 256 CO 0.60 -0.10 0.10 0.93 -0.23 0.00 0.00 178.00 179.30 2qry h GLU 257 N -0.15 0.22 -0.12 0.86 3.07 -1.97 0.10 114.58 116.59 2qry h GLU 257 Ca 0.13 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 2qry h GLU 257 Cb 0.34 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2qry h GLU 257 CO -0.31 0.15 -0.28 1.25 -1.40 0.00 0.00 179.01 178.42 2qry h LEU 258 N 0.23 0.22 -0.26 1.33 5.85 -1.91 -1.08 115.31 119.69 2qry h LEU 258 Ca 0.16 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2qry h LEU 258 Cb 0.15 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2qry h LEU 258 CO -0.18 0.51 -0.27 0.00 -0.34 0.00 0.00 178.44 178.16 2qry h ALA 259 N 1.52 0.38 -0.67 1.25 0.00 0.24 -2.39 119.26 119.58 2qry h ALA 259 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2qry h ALA 259 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2qry h ALA 259 CO 0.04 0.38 0.38 1.96 0.00 0.00 0.00 179.25 182.01 2qry h GLN 260 N 0.36 0.93 -0.72 0.00 4.20 -0.54 -1.83 115.11 117.51 2qry h GLN 260 Ca 0.04 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.71 2qry h GLN 260 Cb 0.84 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 2qry h GLN 260 CO 0.07 0.69 0.42 0.87 -0.67 0.00 0.00 178.83 180.20 2qry h LYS 261 N 0.92 0.75 -0.45 1.46 1.57 -1.08 -0.96 116.57 118.77 2qry h LYS 261 Ca 0.24 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2qry h LYS 261 Cb 0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2qry h LYS 261 CO -0.04 0.49 0.19 0.35 -0.57 0.00 0.00 179.45 179.88 2qry h PHE 262 N 0.77 0.67 -0.58 -1.35 3.04 -0.91 -0.00 116.94 118.58 2qry h PHE 262 Ca 0.32 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 2qry h PHE 262 Cb 0.18 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 2qry h PHE 262 CO -0.06 0.57 0.36 -0.07 -2.02 0.00 0.00 178.31 177.08 2qry h LEU 263 N 0.59 0.70 -0.38 0.59 3.38 -0.69 -2.82 115.31 116.68 2qry h LEU 263 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2qry h LEU 263 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2qry h LEU 263 CO -0.01 0.54 -0.05 -0.61 0.09 0.00 0.00 178.44 178.39 2qry h GLN 264 N 0.79 0.70 -2.13 1.13 5.75 -1.05 -3.22 115.11 117.08 2qry h GLN 264 Ca 0.21 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2qry h GLN 264 Cb -0.03 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 2qry h GLN 264 CO -0.04 0.83 0.06 0.34 -2.65 0.00 0.00 178.83 177.37 2qry n PHE 265 N -4.41 0.00 0.00 3.99 -0.00 -0.03 -3.15 117.46 113.87 2qry n PHE 265 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.32 2qry n PHE 265 Cb 0.32 -0.31 0.00 0.00 -0.00 0.00 0.00 39.48 39.49 2qry n PHE 265 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2qry n VAL 267 N 2.09 0.00 -2.06 -2.13 0.31 -1.22 -4.08 118.33 111.24 2qry n VAL 267 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.05 2qry n VAL 267 Cb 0.06 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.03 2qry n VAL 267 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qry s SER 268 N 0.00 5.41 0.46 4.52 1.04 -1.19 -4.79 113.70 119.16 2qry s SER 268 Ca 0.00 0.95 0.11 0.00 0.48 0.00 0.00 55.95 57.49 2qry s SER 268 Cb 0.00 -1.79 1.06 0.00 0.10 0.00 0.00 66.02 65.39 2qry s SER 268 CO 0.00 -1.29 2.10 -0.65 0.98 0.00 0.00 173.24 174.38 2qry h PRO 269 N -0.52 0.27 -0.62 4.02 0.11 -1.95 -1.27 132.00 132.04 2qry h PRO 269 Ca -0.45 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.74 2qry h PRO 269 Cb 1.26 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 2qry h PRO 269 CO 0.63 0.18 0.23 0.00 -0.21 0.00 0.00 178.00 178.84 2qry h ALA 270 N 1.87 0.80 0.01 -0.75 0.00 -1.93 0.70 119.26 119.95 2qry h ALA 270 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qry h ALA 270 Cb -0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qry h ALA 270 CO -0.02 -0.19 -0.01 0.35 0.00 0.00 0.00 179.25 179.39 2qry h PHE 271 N 0.42 -0.01 -0.67 0.00 3.57 -1.59 -3.36 116.94 115.30 2qry h PHE 271 Ca 0.31 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.98 2qry h PHE 271 Cb 0.38 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2qry h PHE 271 CO -0.17 0.56 0.46 1.96 -2.23 0.00 0.00 178.31 178.90 2qry h GLN 272 N -0.99 0.15 0.00 1.11 1.08 -1.18 -0.45 115.11 114.83 2qry h GLN 272 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2qry h GLN 272 Cb 0.59 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2qry h GLN 272 CO 0.00 0.10 0.00 0.09 -0.95 0.00 0.00 178.83 178.07 2qry n ASN 273 N -4.40 0.39 0.06 1.46 3.02 0.23 -2.36 115.26 113.65 2qry n ASN 273 Ca 0.13 0.59 0.11 0.00 -0.03 0.00 0.00 54.58 55.38 2qry n ASN 273 Cb 0.63 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 2qry n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qry n ALA 274 N -1.66 2.72 0.25 5.41 0.00 -0.18 -4.53 120.51 122.52 2qry n ALA 274 Ca 0.03 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 2qry n ALA 274 Cb 0.22 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 2qry n ALA 274 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qry h ILE 275 N 0.00 0.42 -0.39 0.00 1.08 -1.47 -0.98 117.51 116.16 2qry h ILE 275 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2qry h ILE 275 Cb 0.97 0.42 -0.09 0.00 -3.07 0.00 0.00 36.82 35.04 2qry h ILE 275 CO 0.00 0.00 -0.38 -0.65 -0.69 0.00 0.00 178.15 176.43 2qry h PRO 276 N -0.68 -0.28 -0.47 2.37 0.11 -1.80 0.37 132.00 131.61 2qry h PRO 276 Ca -0.04 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2qry h PRO 276 Cb 0.57 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2qry h PRO 276 CO 0.03 -0.19 0.00 0.25 -0.21 0.00 0.00 178.00 177.88 2qry n THR 277 N -5.42 0.62 -0.07 -1.15 -2.24 -1.25 -2.52 114.28 102.24 2qry n THR 277 Ca 0.00 -0.73 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 2qry n THR 277 Cb 0.35 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 2qry n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qry n GLY 278 N 1.44 -0.31 0.23 3.38 0.00 -0.37 -4.76 105.19 104.81 2qry n GLY 278 Ca 0.20 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2qry n GLY 278 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qry n ASN 279 N -3.89 1.27 -3.21 1.61 5.15 0.12 -3.44 115.26 112.87 2qry n ASN 279 Ca -0.27 -1.14 -0.19 0.00 -0.60 0.00 0.00 54.58 52.39 2qry n ASN 279 Cb 0.63 0.64 0.02 0.00 -0.53 0.00 0.00 39.78 40.53 2qry n ASN 279 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2qry n TRP 280 N -0.53 -2.98 -3.99 1.20 7.02 -0.72 -5.00 117.44 112.44 2qry n TRP 280 Ca 0.05 1.21 -0.35 0.00 -1.02 0.00 0.00 57.50 57.39 2qry n TRP 280 Cb 0.29 -3.21 -0.11 0.00 -2.42 0.00 0.00 31.31 25.86 2qry n TRP 280 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2qry s TYR 282 N -2.37 3.17 0.63 -5.99 2.02 -0.08 -4.52 117.35 110.22 2qry s TYR 282 Ca 0.22 -0.10 -0.18 0.00 -0.37 0.00 0.00 57.07 56.64 2qry s TYR 282 Cb -0.04 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2qry s TYR 282 CO 0.82 -0.01 1.22 -2.14 -1.57 0.00 0.00 175.55 173.87 2qry s PRO 283 N 0.73 2.71 0.06 -1.71 0.02 -1.26 -0.83 135.00 134.72 2qry s PRO 283 Ca 0.03 1.85 0.24 0.00 0.02 0.00 0.00 61.00 63.14 2qry s PRO 283 Cb -0.13 -1.89 0.26 0.00 0.02 0.00 0.00 34.50 32.76 2qry s PRO 283 CO 0.02 -1.42 1.23 1.55 -0.33 0.00 0.00 177.00 178.05 2qry n VAL 284 N -1.91 0.19 -4.18 3.83 3.14 -1.25 -4.79 118.33 113.36 2qry n VAL 284 Ca 0.14 -0.19 -0.34 0.00 -2.96 0.00 0.00 64.34 60.99 2qry n VAL 284 Cb 0.49 0.12 -0.08 0.00 -1.06 0.00 0.00 33.84 33.31 2qry n VAL 284 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qry s ALA 285 N -3.13 3.50 -0.76 1.55 0.00 -1.26 0.12 121.76 121.78 2qry s ALA 285 Ca 0.07 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 50.94 2qry s ALA 285 Cb 0.15 -1.59 -0.25 0.00 0.00 0.00 0.00 23.12 21.43 2qry s ALA 285 CO 0.75 0.64 1.92 0.09 0.00 0.00 0.00 175.76 179.16 2qry n ASN 286 N 1.70 1.56 -4.71 0.00 3.02 -1.26 -4.85 115.26 110.72 2qry n ASN 286 Ca -0.16 -2.54 -0.23 0.00 -0.03 0.00 0.00 54.58 51.62 2qry n ASN 286 Cb 0.53 -1.32 -0.06 0.00 -0.61 0.00 0.00 39.78 38.32 2qry n ASN 286 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qry s VAL 287 N 12.57 3.74 0.04 2.41 0.11 -1.26 -5.10 120.40 132.92 2qry s VAL 287 Ca 0.74 -1.73 -0.28 0.00 -2.93 0.00 0.00 61.98 57.79 2qry s VAL 287 Cb 0.03 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.80 2qry s VAL 287 CO 0.22 -0.35 0.87 0.28 -3.33 0.00 0.00 175.10 172.79 2qry s THR 288 N -2.27 4.72 -0.04 5.04 -1.32 -1.26 -5.02 115.64 115.48 2qry s THR 288 Ca 0.32 1.85 -0.18 0.00 -1.21 0.00 0.00 61.69 62.47 2qry s THR 288 Cb -0.07 -4.22 -0.05 0.00 -1.51 0.00 0.00 72.50 66.65 2qry s THR 288 CO 0.22 0.29 0.50 -0.76 -2.21 0.00 0.00 174.62 172.66 2qry s LEU 289 N 0.28 4.38 0.91 9.08 1.43 -1.26 -5.07 118.68 128.44 2qry s LEU 289 Ca 0.44 0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 2qry s LEU 289 Cb -0.21 -2.75 0.14 0.00 0.03 0.00 0.00 46.19 43.40 2qry s LEU 289 CO 0.26 0.12 1.11 -2.16 0.23 0.00 0.00 176.35 175.91 2qry s PRO 290 N -0.12 1.08 0.26 1.29 0.04 -1.26 -4.93 135.00 131.36 2qry s PRO 290 Ca 0.27 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2qry s PRO 290 Cb -0.17 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2qry s PRO 290 CO 0.14 -2.50 1.50 0.00 0.04 0.00 0.00 177.00 176.17 2qry s ALA 291 N -2.71 3.68 0.00 8.56 0.00 -1.26 -3.00 121.76 127.03 2qry s ALA 291 Ca 0.65 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2qry s ALA 291 Cb -0.21 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2qry s ALA 291 CO 0.58 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2qry n GLY 292 N 2.31 0.87 0.20 0.00 0.00 -1.26 -4.89 105.19 102.43 2qry n GLY 292 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2qry n GLY 292 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2qry h PHE 293 N 0.00 0.00 0.00 1.61 -1.00 -1.89 -2.91 116.94 112.75 2qry h PHE 293 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2qry h PHE 293 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2qry h PHE 293 CO 0.00 0.28 0.00 0.39 -1.61 0.00 0.00 178.31 177.37 2qry n GLU 294 N -3.33 0.09 0.15 1.51 4.71 -1.26 -2.19 120.64 120.31 2qry n GLU 294 Ca 0.01 0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.56 2qry n GLU 294 Cb 0.51 -1.66 0.42 0.00 -1.01 0.00 0.00 31.44 29.70 2qry n GLU 294 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2qry h LYS 295 N 0.00 0.00 -7.74 3.49 1.57 -1.93 -3.45 116.57 108.50 2qry h LYS 295 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2qry h LYS 295 Cb 0.37 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.82 2qry h LYS 295 CO 0.00 0.00 0.41 -0.51 -0.57 0.00 0.00 179.45 178.78 2qry s LEU 296 N -4.95 2.60 -0.10 2.94 1.43 -0.93 -5.08 118.68 114.58 2qry s LEU 296 Ca 0.07 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2qry s LEU 296 Cb 0.10 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.67 2qry s LEU 296 CO 0.55 -2.47 -0.17 -0.89 0.23 0.00 0.00 176.35 173.61 2qry s THR 297 N -3.76 1.58 -0.13 5.49 2.01 -1.26 -5.11 115.64 114.46 2qry s THR 297 Ca 0.70 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.80 2qry s THR 297 Cb -0.07 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2qry s THR 297 CO 0.52 0.46 0.50 -0.54 -0.69 0.00 0.00 174.62 174.87 2qry s LYS 298 N 0.79 4.31 0.22 4.92 1.02 -1.26 -4.96 119.74 124.78 2qry s LYS 298 Ca -0.11 0.47 -0.32 0.00 0.02 0.00 0.00 55.97 56.04 2qry s LYS 298 Cb -0.16 -3.46 -0.14 0.00 -0.52 0.00 0.00 37.83 33.55 2qry s LYS 298 CO 0.01 0.08 1.33 -0.35 -0.92 0.00 0.00 175.35 175.51 2qry n PRO 299 N 3.93 1.76 -0.06 -1.68 -0.04 -1.26 -4.91 135.00 132.74 2qry n PRO 299 Ca -0.06 0.63 -0.06 0.00 -0.04 0.00 0.00 63.50 63.97 2qry n PRO 299 Cb 0.51 -2.23 0.14 0.00 -0.04 0.00 0.00 33.50 31.88 2qry n PRO 299 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qry h ALA 300 N 3.94 0.98 -3.51 0.55 0.00 -1.95 -3.42 119.26 115.85 2qry h ALA 300 Ca -0.44 -0.34 -0.68 0.00 0.00 0.00 0.00 54.91 53.44 2qry h ALA 300 Cb 1.30 -0.15 -0.31 0.00 0.00 0.00 0.00 17.79 18.62 2qry h ALA 300 CO 0.74 0.60 -0.86 0.99 0.00 0.00 0.00 179.25 180.72 2qry s THR 301 N -4.63 2.24 -0.16 0.00 2.01 -1.26 -5.09 115.64 108.75 2qry s THR 301 Ca -0.09 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 2qry s THR 301 Cb 0.13 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 2qry s THR 301 CO 0.82 0.56 -0.06 -0.89 -0.69 0.00 0.00 174.62 174.36 2qry s THR 302 N 0.19 3.67 0.04 -0.82 2.01 -1.26 -1.44 115.64 118.03 2qry s THR 302 Ca -0.13 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2qry s THR 302 Cb -0.16 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2qry s THR 302 CO 0.07 0.49 0.03 -0.76 -0.69 0.00 0.00 174.62 173.76 2qry s LEU 303 N 0.45 3.61 -0.26 4.42 1.43 0.49 -4.91 118.68 123.91 2qry s LEU 303 Ca -0.05 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 2qry s LEU 303 Cb -0.15 -2.20 0.15 0.00 0.03 0.00 0.00 46.19 44.03 2qry s LEU 303 CO 0.03 0.23 1.20 -0.70 0.23 0.00 0.00 176.35 177.34 2qry s GLU 304 N -1.95 0.32 0.35 1.70 2.12 -1.26 -0.98 118.70 118.99 2qry s GLU 304 Ca 0.24 0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.91 2qry s GLU 304 Cb -0.12 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2qry s GLU 304 CO 0.15 -0.06 0.24 -0.06 -0.54 0.00 0.00 175.26 174.99 2qry s PHE 305 N -0.27 2.79 0.48 5.30 2.99 -1.26 -5.10 117.98 122.91 2qry s PHE 305 Ca 0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 56.93 56.44 2qry s PHE 305 Cb -0.04 -1.78 -0.08 0.00 0.00 0.00 0.00 43.02 41.13 2qry s PHE 305 CO -0.08 0.22 0.94 0.95 -0.00 0.00 0.00 175.22 177.25 2qry s THR 306 N -2.38 4.55 0.21 0.64 -4.23 -1.26 -4.94 115.64 108.22 2qry s THR 306 Ca 0.40 1.18 -0.09 0.00 -1.18 0.00 0.00 61.69 62.00 2qry s THR 306 Cb -0.04 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 70.25 2qry s THR 306 CO 0.25 -0.58 1.77 -0.65 -0.54 0.00 0.00 174.62 174.87 2qry h PRO 307 N 1.20 0.52 -0.63 3.99 0.11 -1.89 -2.02 132.00 133.28 2qry h PRO 307 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2qry h PRO 307 Cb 1.18 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2qry h PRO 307 CO 0.62 0.34 0.25 0.00 -0.21 0.00 0.00 178.00 179.00 2qry h ALA 308 N 1.39 1.25 -0.47 -0.75 0.00 -1.92 -2.14 119.26 116.63 2qry h ALA 308 Ca 0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2qry h ALA 308 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qry h ALA 308 CO -0.25 0.55 0.08 1.49 0.00 0.00 0.00 179.25 181.12 2qry h GLU 309 N 0.91 0.77 -0.22 0.00 4.81 -1.76 -2.03 114.58 117.05 2qry h GLU 309 Ca 0.21 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2qry h GLU 309 Cb 0.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2qry h GLU 309 CO -0.02 0.78 -0.36 -0.39 -0.73 0.00 0.00 179.01 178.30 2qry h VAL 310 N 0.64 1.29 -0.72 0.32 -1.51 -1.24 -1.45 116.25 113.58 2qry h VAL 310 Ca 0.14 -1.47 -0.04 0.00 -1.23 0.00 0.00 66.70 64.11 2qry h VAL 310 Cb 0.38 1.51 -0.03 0.00 -2.13 0.00 0.00 31.29 31.02 2qry h VAL 310 CO 0.01 0.46 0.30 0.00 -1.23 0.00 0.00 177.57 177.11 2qry h ALA 311 N 1.22 1.17 0.00 5.19 0.00 -1.22 0.29 119.26 125.90 2qry h ALA 311 Ca 0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2qry h ALA 311 Cb 0.81 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qry h ALA 311 CO 0.07 0.61 -0.51 0.00 0.00 0.00 0.00 179.25 179.42 2qry h ALA 312 N 1.28 0.71 0.00 0.00 0.00 -1.09 -3.38 119.26 116.79 2qry h ALA 312 Ca 0.25 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2qry h ALA 312 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qry h ALA 312 CO -0.02 0.63 -1.79 1.04 0.00 0.00 0.00 179.25 179.11 2qry n GLN 313 N -3.29 0.95 -0.18 0.00 1.13 -0.57 -4.67 117.38 110.75 2qry n GLN 313 Ca 0.01 -0.09 0.15 0.00 -1.94 0.00 0.00 57.00 55.14 2qry n GLN 313 Cb 0.70 -1.35 0.49 0.00 0.11 0.00 0.00 30.24 30.19 2qry n GLN 313 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2qry h ARG 314 N 0.00 0.43 0.31 -1.09 0.11 -0.60 -0.72 114.38 112.82 2qry h ARG 314 Ca -0.15 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.90 2qry h ARG 314 Cb 1.14 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 2qry h ARG 314 CO 0.01 0.29 -0.18 0.37 0.10 0.00 0.00 179.97 180.55 2qry h GLN 315 N 0.45 -0.45 -0.25 0.08 4.15 -1.82 0.15 115.11 117.42 2qry h GLN 315 Ca 0.38 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.78 2qry h GLN 315 Cb 0.84 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 2qry h GLN 315 CO -0.13 -0.30 -0.02 0.00 -1.93 0.00 0.00 178.83 176.45 2qry h ALA 316 N 0.21 0.34 -0.73 3.38 0.00 -1.73 -1.60 119.26 119.13 2qry h ALA 316 Ca -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qry h ALA 316 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2qry h ALA 316 CO 0.04 0.10 0.33 -1.49 0.00 0.00 0.00 179.25 178.23 2qry h TRP 317 N 0.22 1.06 -0.13 0.00 6.55 -1.09 -1.24 115.95 121.33 2qry h TRP 317 Ca 0.07 -0.05 -0.11 0.00 0.95 0.00 0.00 58.89 59.75 2qry h TRP 317 Cb 0.46 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 2qry h TRP 317 CO 0.04 0.79 -0.38 0.82 -1.05 0.00 0.00 178.44 178.65 2qry h ILE 318 N 1.05 1.30 -0.57 1.49 2.04 -0.62 -1.63 117.51 120.57 2qry h ILE 318 Ca 0.25 -1.47 -0.10 0.00 1.00 0.00 0.00 64.86 64.54 2qry h ILE 318 Cb 0.14 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2qry h ILE 318 CO -0.03 0.44 -0.04 -1.28 0.00 0.00 0.00 178.15 177.25 2qry h SER 319 N 0.25 1.01 -0.27 1.72 0.87 -0.50 -0.71 113.55 115.92 2qry h SER 319 Ca 0.03 -0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2qry h SER 319 Cb 0.79 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2qry h SER 319 CO 0.06 1.08 0.03 -0.33 -0.53 0.00 0.00 176.83 177.14 2qry h GLU 320 N 0.93 0.45 0.21 2.24 5.08 -0.98 -2.57 114.58 119.95 2qry h GLU 320 Ca 0.16 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2qry h GLU 320 Cb 0.59 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2qry h GLU 320 CO 0.04 0.59 -0.29 2.35 -1.00 0.00 0.00 179.01 180.69 2qry h TRP 321 N 0.25 -0.78 -0.63 4.33 7.01 -1.07 -0.68 115.95 124.38 2qry h TRP 321 Ca 0.08 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.16 2qry h TRP 321 Cb 0.37 0.32 -0.06 0.00 -2.10 0.00 0.00 29.16 27.68 2qry h TRP 321 CO 0.03 -0.41 0.31 0.37 -2.79 0.00 0.00 178.44 175.95 2qry h GLN 322 N -0.56 0.54 -0.55 2.65 4.15 -1.13 -0.68 115.11 119.52 2qry h GLN 322 Ca 0.01 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2qry h GLN 322 Cb 0.55 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2qry h GLN 322 CO -0.11 0.36 0.01 -0.09 -1.93 0.00 0.00 178.83 177.07 2qry h ARG 323 N 0.56 0.94 -0.08 1.69 2.43 -1.29 -2.67 114.38 115.95 2qry h ARG 323 Ca 0.30 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 2qry h ARG 323 Cb 0.27 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2qry h ARG 323 CO -0.23 0.92 -0.55 0.00 -1.51 0.00 0.00 179.97 178.60 2qry h ALA 324 N 1.14 0.93 -0.20 2.80 0.00 -0.19 -3.28 119.26 120.47 2qry h ALA 324 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qry h ALA 324 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qry h ALA 324 CO 0.02 0.69 0.00 1.33 0.00 0.00 0.00 179.25 181.29 2qry n VAL 325 N -3.92 0.26 -4.67 0.00 0.24 -0.35 -4.21 118.33 105.68 2qry n VAL 325 Ca -0.02 -0.63 -0.33 0.00 -2.04 0.00 0.00 64.34 61.32 2qry n VAL 325 Cb 0.57 1.20 -0.12 0.00 -1.47 0.00 0.00 33.84 34.03 2qry n VAL 325 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2qry s SER 326 N -1.59 4.31 0.00 -1.34 0.01 -1.01 -5.00 113.70 109.08 2qry s SER 326 Ca 0.30 -0.17 0.21 0.00 1.31 0.00 0.00 55.95 57.60 2qry s SER 326 Cb 0.19 -0.95 1.23 0.00 0.21 0.00 0.00 66.02 66.70 2qry s SER 326 CO 0.28 0.32 1.62 -2.11 0.41 0.00 0.00 173.24 173.76