#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 3.66 -0.01 1.97 0.04 -1.26 -4.53 135.00 134.87 2qry s PRO 20 Ca 0.00 1.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 2qry s PRO 20 Cb 0.00 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 2qry s PRO 20 CO 0.00 -0.68 0.27 0.08 0.04 0.00 0.00 177.00 176.71 2qry s VAL 21 N -1.44 5.30 -0.29 -0.36 1.01 -1.26 -0.50 120.40 122.85 2qry s VAL 21 Ca 0.64 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.90 2qry s VAL 21 Cb -0.33 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.58 2qry s VAL 21 CO 0.40 0.43 0.01 -0.22 0.00 0.00 0.00 175.10 175.72 2qry s LEU 22 N -1.56 3.22 -0.22 3.92 1.98 -0.57 -4.92 118.68 120.52 2qry s LEU 22 Ca 0.25 -1.60 -0.25 0.00 -2.89 0.00 0.00 54.13 49.64 2qry s LEU 22 Cb -0.13 -1.26 -0.01 0.00 0.66 0.00 0.00 46.19 45.45 2qry s LEU 22 CO 0.14 -0.32 0.83 -0.89 -1.89 0.00 0.00 176.35 174.22 2qry s THR 23 N 1.28 4.85 -0.28 3.68 2.01 -1.26 -0.69 115.64 125.22 2qry s THR 23 Ca 0.03 1.59 0.03 0.00 0.31 0.00 0.00 61.69 63.65 2qry s THR 23 Cb -0.19 -4.12 0.07 0.00 0.01 0.00 0.00 72.50 68.27 2qry s THR 23 CO -0.11 -0.05 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.01 2qry s VAL 24 N 2.66 2.20 0.22 3.82 1.01 0.23 -0.74 120.40 129.80 2qry s VAL 24 Ca 0.36 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 2qry s VAL 24 Cb -0.16 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 2qry s VAL 24 CO 0.09 -0.17 1.23 -0.31 0.00 0.00 0.00 175.10 175.93 2qry s TYR 25 N 1.05 3.35 0.36 5.22 1.51 0.30 -1.20 117.35 127.94 2qry s TYR 25 Ca -0.04 1.39 -0.17 0.00 -1.01 0.00 0.00 57.07 57.25 2qry s TYR 25 Cb -0.20 -3.49 0.05 0.00 -0.11 0.00 0.00 41.96 38.20 2qry s TYR 25 CO -0.06 -1.41 0.77 -0.08 -1.11 0.00 0.00 175.55 173.66 2qry s THR 26 N -0.27 0.00 0.56 -0.71 -1.32 -0.37 0.65 115.64 114.19 2qry s THR 26 Ca 0.52 -1.01 -0.04 0.00 -1.21 0.00 0.00 61.69 59.95 2qry s THR 26 Cb -0.35 -2.66 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 2qry s THR 26 CO 0.40 0.00 0.85 -0.72 -2.21 0.00 0.00 174.62 172.93 2qry s TYR 27 N -2.72 3.20 0.24 9.09 -0.85 -1.23 -0.91 117.35 124.17 2qry s TYR 27 Ca 0.15 0.49 -0.05 0.00 -0.52 0.00 0.00 57.07 57.14 2qry s TYR 27 Cb -0.05 -2.67 0.26 0.00 0.38 0.00 0.00 41.96 39.88 2qry s TYR 27 CO 0.10 -0.76 1.83 0.38 -1.52 0.00 0.00 175.55 175.58 2qry h ASP 28 N -0.06 1.02 0.77 -0.18 3.04 -1.86 -2.76 116.42 116.39 2qry h ASP 28 Ca -0.45 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 2qry h ASP 28 Cb 1.26 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.29 2qry h ASP 28 CO 0.59 0.88 0.00 0.77 -2.04 0.00 0.00 179.24 179.44 2qry h SER 29 N 1.10 0.00 0.00 4.15 4.64 -1.96 -0.92 113.55 120.56 2qry h SER 29 Ca 0.26 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2qry h SER 29 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2qry h SER 29 CO -0.03 0.00 -0.02 0.15 -0.87 0.00 0.00 176.83 176.06 2qry h PHE 30 N 0.00 0.00 0.00 4.77 3.57 -1.87 -3.33 116.94 120.07 2qry h PHE 30 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2qry h PHE 30 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2qry h PHE 30 CO 0.00 0.94 0.00 0.00 -2.23 0.00 0.00 178.31 177.02 2qry n ALA 31 N -2.64 2.46 -1.60 2.41 0.00 -1.18 -1.21 120.51 118.75 2qry n ALA 31 Ca -0.10 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.83 2qry n ALA 31 Cb 0.45 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.47 2qry n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qry n ALA 32 N -1.28 0.02 -0.02 0.00 0.00 -0.36 -4.63 120.51 114.25 2qry n ALA 32 Ca 0.14 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.79 2qry n ALA 32 Cb 0.23 -2.08 0.69 0.00 0.00 0.00 0.00 19.45 18.30 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 0.44 0.00 0.05 0.00 3.32 -1.90 0.31 116.42 118.64 2qry h ASP 33 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2qry h ASP 33 Cb 1.37 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2qry h ASP 33 CO 0.50 0.00 -0.16 -2.67 -1.72 0.00 0.00 179.24 175.20 2qry n TRP 34 N -4.37 0.00 -1.29 4.55 2.14 -1.26 -4.84 117.44 112.37 2qry n TRP 34 Ca 0.11 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.68 2qry n TRP 34 Cb 0.64 -0.03 0.00 0.00 -0.81 0.00 0.00 31.31 31.11 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 1.30 0.12 0.19 -1.67 0.00 0.11 -4.78 105.19 100.46 2qry n GLY 35 Ca 0.14 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.03 1.61 0.13 -1.59 -3.40 132.00 128.72 2qry h PRO 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qry h PRO 36 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qry h PRO 36 CO 0.00 0.01 -0.02 0.41 -0.23 0.00 0.00 178.00 178.17 2qry n GLY 37 N 1.12 -2.89 0.32 1.56 0.00 -0.35 -0.53 105.19 104.43 2qry n GLY 37 Ca 0.03 0.56 0.16 0.00 0.00 0.00 0.00 46.02 46.77 2qry n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qry h PRO 38 N 0.00 0.36 0.09 1.61 0.11 -1.80 0.32 132.00 132.69 2qry h PRO 38 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2qry h PRO 38 Cb 0.01 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2qry h PRO 38 CO -0.03 0.24 -0.05 0.28 -0.21 0.00 0.00 178.00 178.24 2qry h VAL 39 N 0.37 1.09 -0.89 3.15 2.07 -1.51 -2.57 116.25 117.95 2qry h VAL 39 Ca 0.60 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2qry h VAL 39 Cb 1.21 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 2qry h VAL 39 CO -0.56 0.17 0.51 0.58 0.02 0.00 0.00 177.57 178.29 2qry h VAL 40 N -0.46 1.25 0.58 2.57 2.07 0.33 -1.97 116.25 120.63 2qry h VAL 40 Ca -0.01 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2qry h VAL 40 Cb 0.38 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2qry h VAL 40 CO 0.02 0.28 -0.46 0.50 0.02 0.00 0.00 177.57 177.93 2qry h LYS 41 N 1.24 -0.97 -0.04 1.57 3.64 -0.39 0.36 116.57 121.98 2qry h LYS 41 Ca 0.32 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2qry h LYS 41 Cb -0.01 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2qry h LYS 41 CO -0.05 -0.65 -0.06 1.57 -2.27 0.00 0.00 179.45 177.99 2qry h LYS 42 N -1.01 0.06 -0.01 1.90 2.10 -1.43 0.28 116.57 118.47 2qry h LYS 42 Ca -0.08 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 2qry h LYS 42 Cb 0.84 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.14 2qry h LYS 42 CO 0.01 0.13 -0.60 0.00 -2.00 0.00 0.00 179.45 177.00 2qry h ALA 43 N 1.88 0.98 0.12 0.07 0.00 -1.03 0.14 119.26 121.42 2qry h ALA 43 Ca 0.01 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 2qry h ALA 43 Cb 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qry h ALA 43 CO 0.01 0.74 -0.97 0.35 0.00 0.00 0.00 179.25 179.38 2qry h PHE 44 N 0.03 0.45 -0.37 0.00 3.57 -0.06 -3.31 116.94 117.26 2qry h PHE 44 Ca -0.01 -0.33 -0.12 0.00 3.53 0.00 0.00 57.97 61.05 2qry h PHE 44 Cb 1.07 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2qry h PHE 44 CO 0.00 1.38 -0.22 0.93 -2.23 0.00 0.00 178.31 178.17 2qry h GLU 45 N -0.42 0.80 -0.53 1.11 5.08 -0.99 0.02 114.58 119.65 2qry h GLU 45 Ca -0.19 -0.37 0.14 0.00 -1.00 0.00 0.00 59.36 57.93 2qry h GLU 45 Cb 1.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 2qry h GLU 45 CO 0.09 1.00 0.37 0.00 -1.00 0.00 0.00 179.01 179.47 2qry h ALA 46 N 0.78 2.38 -3.00 3.43 0.00 -0.87 -3.32 119.26 118.66 2qry h ALA 46 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qry h ALA 46 Cb 0.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qry h ALA 46 CO 0.06 -0.53 0.00 -3.47 0.00 0.00 0.00 179.25 175.31 2qry n ASP 47 N -4.41 0.00 -4.58 0.00 -0.08 -1.11 -4.86 116.55 101.51 2qry n ASP 47 Ca 0.09 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.95 2qry n ASP 47 Cb 0.54 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.98 2qry n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qry n ASN 49 N 9.13 3.06 0.00 0.00 6.94 -1.26 -4.26 115.26 128.88 2qry n ASN 49 Ca 0.13 0.91 0.00 0.00 -0.02 0.00 0.00 54.58 55.60 2qry n ASN 49 Cb 0.49 -1.31 0.00 0.00 -2.36 0.00 0.00 39.78 36.60 2qry n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qry s GLU 51 N -2.00 2.37 -0.25 0.00 2.12 0.34 -4.53 118.70 116.75 2qry s GLU 51 Ca 0.00 -1.51 -0.29 0.00 0.36 0.00 0.00 54.97 53.53 2qry s GLU 51 Cb 0.00 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 2qry s GLU 51 CO 0.00 -0.89 1.21 -1.17 -0.54 0.00 0.00 175.26 173.87 2qry s LEU 52 N 1.29 4.02 -0.47 2.70 2.96 -1.26 -1.51 118.68 126.42 2qry s LEU 52 Ca 0.03 1.37 -0.05 0.00 -0.22 0.00 0.00 54.13 55.26 2qry s LEU 52 Cb -0.22 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.05 2qry s LEU 52 CO -0.01 -0.88 0.29 -0.75 -1.32 0.00 0.00 176.35 173.69 2qry s LYS 53 N 3.72 2.26 -0.38 1.98 2.20 0.13 -4.95 119.74 124.71 2qry s LYS 53 Ca 0.52 -1.90 -0.24 0.00 -0.36 0.00 0.00 55.97 53.99 2qry s LYS 53 Cb -0.17 -3.74 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 2qry s LYS 53 CO 0.16 -1.13 0.83 -0.51 -0.36 0.00 0.00 175.35 174.34 2qry s LEU 54 N 1.05 4.10 -0.36 5.43 1.43 -1.26 -0.60 118.68 128.46 2qry s LEU 54 Ca 0.09 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 2qry s LEU 54 Cb -0.23 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 42.92 2qry s LEU 54 CO -0.03 -0.79 0.17 -0.69 0.23 0.00 0.00 176.35 175.24 2qry s VAL 55 N 3.25 4.33 -1.00 -1.59 1.01 -0.34 -4.97 120.40 121.07 2qry s VAL 55 Ca 0.33 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2qry s VAL 55 Cb -0.13 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2qry s VAL 55 CO 0.18 -0.20 1.68 0.00 0.00 0.00 0.00 175.10 176.76 2qry s ALA 56 N 1.51 2.31 -0.21 5.51 0.00 -1.26 -1.23 121.76 128.40 2qry s ALA 56 Ca 0.01 -2.02 -0.07 0.00 0.00 0.00 0.00 51.96 49.88 2qry s ALA 56 Cb -0.19 -4.56 -0.20 0.00 0.00 0.00 0.00 23.12 18.18 2qry s ALA 56 CO 0.05 -4.13 0.03 -0.11 0.00 0.00 0.00 175.76 171.60 2qry n LEU 57 N 11.03 2.52 -3.99 0.00 7.94 -0.09 -4.77 117.00 129.64 2qry n LEU 57 Ca 0.37 0.15 -0.11 0.00 -1.11 0.00 0.00 56.01 55.32 2qry n LEU 57 Cb 0.49 -0.98 -0.04 0.00 0.53 0.00 0.00 43.42 43.43 2qry n LEU 57 CO 0.65 0.75 0.23 -1.61 -1.11 0.00 0.00 177.39 176.29 2qry s GLU 58 N -2.51 1.79 0.66 1.96 0.41 -1.23 -5.04 118.70 114.74 2qry s GLU 58 Ca -0.30 -1.44 -0.09 0.00 -0.41 0.00 0.00 54.97 52.73 2qry s GLU 58 Cb 0.09 0.49 0.01 0.00 -1.78 0.00 0.00 34.13 32.94 2qry s GLU 58 CO 0.64 -0.76 1.02 -0.51 -0.49 0.00 0.00 175.26 175.16 2qry s ASP 59 N -3.09 5.50 0.04 -0.19 1.01 -1.26 -3.49 116.67 115.19 2qry s ASP 59 Ca 0.24 0.97 -0.08 0.00 0.71 0.00 0.00 52.55 54.38 2qry s ASP 59 Cb -0.01 -1.84 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 2qry s ASP 59 CO 0.13 -1.23 0.90 0.61 0.21 0.00 0.00 175.17 175.78 2qry n GLY 60 N -2.84 -2.23 0.31 0.21 0.00 -1.21 -0.70 105.19 98.73 2qry n GLY 60 Ca 0.06 0.60 -0.06 0.00 0.00 0.00 0.00 46.02 46.62 2qry n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qry h VAL 61 N 0.00 1.25 0.00 1.61 2.07 -1.40 -2.73 116.25 117.06 2qry h VAL 61 Ca 0.04 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 2qry h VAL 61 Cb 0.11 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2qry h VAL 61 CO -0.24 0.37 -0.12 0.28 0.02 0.00 0.00 177.57 177.87 2qry h SER 62 N 0.92 0.00 -0.43 0.57 0.02 -0.50 -2.46 113.55 111.67 2qry h SER 62 Ca 0.18 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 2qry h SER 62 Cb 0.43 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 2qry h SER 62 CO 0.01 0.12 0.05 -0.07 -1.14 0.00 0.00 176.83 175.81 2qry h LEU 63 N 0.00 -0.08 -0.17 5.07 3.38 -0.58 0.89 115.31 123.83 2qry h LEU 63 Ca -0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qry h LEU 63 Cb 0.23 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qry h LEU 63 CO 0.02 -0.00 0.06 0.25 0.09 0.00 0.00 178.44 178.85 2qry h LEU 64 N 0.17 0.24 -1.36 1.67 6.46 -1.55 -1.59 115.31 119.33 2qry h LEU 64 Ca 0.21 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2qry h LEU 64 Cb 0.28 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2qry h LEU 64 CO -0.31 0.36 0.07 -0.55 -0.62 0.00 0.00 178.44 177.39 2qry h ASN 65 N 0.10 0.45 -0.28 1.25 7.08 -1.31 -0.20 115.58 122.67 2qry h ASN 65 Ca 0.05 -0.06 -0.15 0.00 -3.08 0.00 0.00 56.30 53.06 2qry h ASN 65 Cb 0.20 -0.12 -0.00 0.00 -2.08 0.00 0.00 38.32 36.32 2qry h ASN 65 CO -0.00 0.47 -0.40 -0.09 -2.08 0.00 0.00 177.43 175.32 2qry h ARG 66 N 0.48 0.77 -0.58 4.14 2.43 -0.69 -3.09 114.38 117.84 2qry h ARG 66 Ca 0.11 -0.45 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 2qry h ARG 66 Cb 0.21 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2qry h ARG 66 CO -0.00 1.08 0.10 1.25 -1.51 0.00 0.00 179.97 180.89 2qry h LEU 67 N 0.52 0.88 -1.94 3.80 5.85 -0.74 -1.43 115.31 122.25 2qry h LEU 67 Ca 0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2qry h LEU 67 Cb 1.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2qry h LEU 67 CO 0.09 0.88 0.00 0.54 -0.34 0.00 0.00 178.44 179.62 2qry n ARG 68 N -4.24 0.23 0.00 1.25 1.74 -0.14 -1.35 116.66 114.16 2qry n ARG 68 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2qry n ARG 68 Cb 0.26 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.85 0.00 0.00 5.56 1.02 -0.54 -5.04 120.64 122.50 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 2.45 0.00 0.62 0.00 -0.46 -1.46 105.19 106.34 2qry n GLY 71 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 10.68 0.74 0.00 1.61 2.85 -1.26 -2.08 118.16 130.69 2qry n LYS 72 Ca 0.00 0.01 0.14 0.00 -1.05 0.00 0.00 58.31 57.41 2qry n LYS 72 Cb 0.00 -1.50 0.56 0.00 -0.65 0.00 0.00 35.03 33.44 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 -1.09 0.20 -4.71 -5.58 5.03 -0.54 -4.89 115.26 103.68 2qry n ASN 73 Ca 0.19 0.06 -0.39 0.00 0.87 0.00 0.00 54.58 55.30 2qry n ASN 73 Cb 0.14 -0.23 0.03 0.00 -1.02 0.00 0.00 39.78 38.70 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 -1.37 2.41 -1.06 6.41 2.88 -0.89 -4.91 113.62 117.09 2qry n SER 74 Ca 0.09 1.01 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 2qry n SER 74 Cb 0.31 -1.53 0.19 0.00 -0.75 0.00 0.00 64.21 62.44 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 -0.59 2.41 -2.86 -1.46 2.85 -1.26 -4.95 118.16 112.30 2qry n LYS 75 Ca 0.09 -2.11 -0.38 0.00 -1.05 0.00 0.00 58.31 54.86 2qry n LYS 75 Cb 0.43 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.25 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 -1.67 3.31 -0.19 0.58 0.00 -1.26 -4.68 121.76 117.85 2qry s ALA 76 Ca 0.35 0.46 0.10 0.00 0.00 0.00 0.00 51.96 52.88 2qry s ALA 76 Cb 0.22 -3.09 -0.19 0.00 0.00 0.00 0.00 23.12 20.06 2qry s ALA 76 CO 0.31 0.23 -0.03 -0.25 0.00 0.00 0.00 175.76 176.02 2qry n ASP 77 N 0.94 1.28 -3.87 0.00 8.00 0.08 -4.63 116.55 118.35 2qry n ASP 77 Ca -0.01 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 2qry n ASP 77 Cb 0.49 0.47 -0.13 0.00 -0.02 0.00 0.00 41.12 41.93 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 -2.43 0.02 -0.32 2.53 1.01 -0.88 -1.26 120.40 119.08 2qry s VAL 78 Ca -0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2qry s VAL 78 Cb 0.06 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.34 2qry s VAL 78 CO 0.64 -0.10 0.05 -0.69 0.00 0.00 0.00 175.10 175.00 2qry s VAL 79 N -0.29 3.39 -0.23 2.92 1.01 -0.80 -0.54 120.40 125.86 2qry s VAL 79 Ca -0.03 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 2qry s VAL 79 Cb -0.02 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2qry s VAL 79 CO 0.00 -0.12 0.05 -0.22 0.00 0.00 0.00 175.10 174.82 2qry s LEU 80 N 1.34 3.42 0.00 3.92 0.20 0.21 -2.91 118.68 124.85 2qry s LEU 80 Ca -0.03 -0.19 0.00 0.00 0.69 0.00 0.00 54.13 54.60 2qry s LEU 80 Cb -0.19 -1.90 0.00 0.00 -0.43 0.00 0.00 46.19 43.66 2qry s LEU 80 CO 0.01 0.00 0.00 0.61 -0.29 0.00 0.00 176.35 176.68 2qry n GLY 81 N 4.69 0.63 3.47 7.98 0.00 -0.81 -3.97 105.19 117.18 2qry n GLY 81 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2qry n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qry n LEU 82 N 0.00 0.00 0.00 0.99 4.77 -1.09 -4.52 117.00 117.15 2qry n LEU 82 Ca 0.00 -1.63 -0.14 0.00 -0.03 0.00 0.00 56.01 54.21 2qry n LEU 82 Cb 0.00 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 2qry n LEU 82 CO 0.00 -1.12 0.17 -0.90 -1.33 0.00 0.00 177.39 174.21 2qry n ASP 83 N -3.30 -1.32 -0.20 -1.43 5.68 -1.26 -0.84 116.55 113.89 2qry n ASP 83 Ca 0.15 -2.81 0.28 0.00 -0.50 0.00 0.00 54.79 51.91 2qry n ASP 83 Cb 0.52 2.46 0.70 0.00 -1.14 0.00 0.00 41.12 43.66 2qry n ASP 83 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2qry h ASN 84 N 1.89 0.06 1.04 -1.12 -1.07 -1.35 -0.58 115.58 114.44 2qry h ASN 84 Ca -0.26 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.12 2qry h ASN 84 Cb 1.14 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.38 2qry h ASN 84 CO 0.35 0.02 0.00 0.59 0.07 0.00 0.00 177.43 178.46 2qry n ASN 85 N -4.30 0.24 -0.43 6.14 3.02 -1.26 -3.52 115.26 115.15 2qry n ASN 85 Ca 0.19 0.53 0.06 0.00 -0.03 0.00 0.00 54.58 55.33 2qry n ASN 85 Cb 0.95 -0.59 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 2qry n ASN 85 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qry n LEU 86 N -1.74 1.86 -0.06 3.41 4.77 -0.23 -4.60 117.00 120.41 2qry n LEU 86 Ca 0.06 -0.96 -0.09 0.00 -0.03 0.00 0.00 56.01 54.98 2qry n LEU 86 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2qry n LEU 86 CO 0.26 0.35 0.63 -0.07 -1.33 0.00 0.00 177.39 177.23 2qry h LEU 87 N 2.12 -1.11 -0.13 2.23 3.38 -1.58 0.74 115.31 120.95 2qry h LEU 87 Ca 0.00 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2qry h LEU 87 Cb 0.47 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2qry h LEU 87 CO 0.00 -0.35 -0.08 -0.78 0.09 0.00 0.00 178.44 177.32 2qry h ASP 88 N -0.34 -0.25 -0.83 -0.43 3.58 -1.86 -0.31 116.42 116.00 2qry h ASP 88 Ca 0.13 0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.70 2qry h ASP 88 Cb 0.56 0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.68 2qry h ASP 88 CO -0.46 -0.10 0.50 0.00 -2.88 0.00 0.00 179.24 176.30 2qry h ALA 89 N 1.04 1.14 0.15 -0.78 0.00 -1.75 -0.93 119.26 118.14 2qry h ALA 89 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qry h ALA 89 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qry h ALA 89 CO -0.18 0.22 -0.07 0.00 0.00 0.00 0.00 179.25 179.22 2qry h ALA 90 N 1.41 -0.20 -0.72 0.00 0.00 -0.26 -3.16 119.26 116.33 2qry h ALA 90 Ca 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2qry h ALA 90 Cb 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2qry h ALA 90 CO -0.19 -0.45 0.33 0.66 0.00 0.00 0.00 179.25 179.60 2qry h SER 91 N -0.51 0.96 0.00 0.00 4.64 -0.89 -1.91 113.55 115.84 2qry h SER 91 Ca -0.02 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2qry h SER 91 Cb 0.40 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2qry h SER 91 CO 0.03 0.84 0.02 0.11 -0.87 0.00 0.00 176.83 176.96 2qry h LYS 92 N 1.01 0.00 -0.09 4.77 1.57 -1.22 -0.81 116.57 121.80 2qry h LYS 92 Ca 0.24 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 2qry h LYS 92 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2qry h LYS 92 CO -0.03 0.00 -0.65 0.00 -0.57 0.00 0.00 179.45 178.20 2qry h THR 93 N 0.00 1.37 0.00 -0.16 1.03 -1.30 -3.47 112.91 110.38 2qry h THR 93 Ca 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 66.41 64.37 2qry h THR 93 Cb 0.03 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 2qry h THR 93 CO 0.00 0.61 0.00 0.61 -0.01 0.00 0.00 175.52 176.73 2qry n GLY 94 N 0.40 0.83 0.07 2.99 0.00 -0.31 -4.91 105.19 104.26 2qry n GLY 94 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.50 -4.68 0.99 4.32 -1.26 -4.77 117.00 112.10 2qry n LEU 95 Ca 0.00 0.56 -0.31 0.00 -0.02 0.00 0.00 56.01 56.24 2qry n LEU 95 Cb 0.00 -0.41 -0.08 0.00 -1.62 0.00 0.00 43.42 41.31 2qry n LEU 95 CO 0.00 -0.16 -0.33 -0.36 -1.22 0.00 0.00 177.39 175.32 2qry s PHE 96 N -3.08 3.02 0.43 -1.77 0.40 -1.26 0.29 117.98 116.00 2qry s PHE 96 Ca 0.11 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.52 2qry s PHE 96 Cb 0.14 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 2qry s PHE 96 CO 0.54 0.47 0.37 0.00 0.70 0.00 0.00 175.22 177.30 2qry s ALA 97 N -1.23 4.06 0.38 5.36 0.00 0.01 -4.55 121.76 125.80 2qry s ALA 97 Ca 0.23 -1.86 -0.26 0.00 0.00 0.00 0.00 51.96 50.07 2qry s ALA 97 Cb -0.12 -0.92 -0.09 0.00 0.00 0.00 0.00 23.12 22.00 2qry s ALA 97 CO 0.15 -0.26 1.26 0.15 0.00 0.00 0.00 175.76 177.06 2qry s LYS 98 N -4.13 4.09 0.19 0.00 1.02 -1.26 -4.42 119.74 115.23 2qry s LYS 98 Ca 0.46 2.06 -0.02 0.00 0.02 0.00 0.00 55.97 58.49 2qry s LYS 98 Cb -0.02 -2.81 0.12 0.00 -0.52 0.00 0.00 37.83 34.59 2qry s LYS 98 CO 0.27 -0.36 1.50 0.66 -0.92 0.00 0.00 175.35 176.51 2qry h SER 99 N 2.85 0.59 -1.49 2.83 4.64 -1.48 -3.47 113.55 118.02 2qry h SER 99 Ca -0.49 -0.32 -0.17 0.00 -0.47 0.00 0.00 61.79 60.35 2qry h SER 99 Cb 1.24 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2qry h SER 99 CO 0.63 1.03 -0.22 0.61 -0.87 0.00 0.00 176.83 178.00 2qry n GLY 100 N 0.27 0.08 3.42 -0.77 0.00 -1.26 -4.75 105.19 102.19 2qry n GLY 100 Ca -0.03 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2qry n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qry s VAL 101 N -2.54 3.37 0.11 1.61 1.01 -1.26 -4.95 120.40 117.75 2qry s VAL 101 Ca 0.04 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 2qry s VAL 101 Cb -0.02 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 2qry s VAL 101 CO 0.05 0.51 1.46 0.00 0.00 0.00 0.00 175.10 177.13 2qry s ALA 102 N 0.32 3.64 0.25 5.51 0.00 -1.26 -4.92 121.76 125.30 2qry s ALA 102 Ca -0.08 1.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.99 2qry s ALA 102 Cb -0.15 -3.58 0.30 0.00 0.00 0.00 0.00 23.12 19.69 2qry s ALA 102 CO 0.05 -0.74 1.90 0.00 0.00 0.00 0.00 175.76 176.97 2qry h ALA 103 N 7.08 1.25 0.00 0.00 0.00 -1.95 -2.38 119.26 123.26 2qry h ALA 103 Ca -0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qry h ALA 103 Cb 1.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2qry h ALA 103 CO 0.89 0.51 0.09 -0.40 0.00 0.00 0.00 179.25 180.34 2qry n ASP 104 N -4.47 0.00 -0.08 0.00 5.68 -1.26 -0.84 116.55 115.58 2qry n ASP 104 Ca 0.12 0.38 0.14 0.00 -0.50 0.00 0.00 54.79 54.94 2qry n ASP 104 Cb 0.08 -0.38 0.66 0.00 -1.14 0.00 0.00 41.12 40.34 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 -1.37 2.69 -2.42 2.12 0.00 -0.89 -4.85 120.51 115.78 2qry n ALA 105 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 53.44 52.93 2qry n ALA 105 Cb 0.09 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.48 1.76 -0.27 0.00 1.01 -0.02 -4.73 120.40 115.67 2qry s VAL 106 Ca 0.29 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2qry s VAL 106 Cb 0.20 -1.49 0.09 0.00 0.00 0.00 0.00 36.38 35.17 2qry s VAL 106 CO 0.47 0.36 0.08 0.21 0.00 0.00 0.00 175.10 176.22 2qry s ASN 107 N -0.88 3.56 0.06 3.32 2.47 0.01 -4.96 114.94 118.53 2qry s ASN 107 Ca 0.09 -1.30 0.05 0.00 0.42 0.00 0.00 52.86 52.12 2qry s ASN 107 Cb -0.09 -0.68 -0.03 0.00 -1.45 0.00 0.00 41.25 39.01 2qry s ASN 107 CO 0.01 -0.38 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.18 2qry s VAL 108 N 1.79 1.02 0.12 -5.21 1.01 -1.26 -4.63 120.40 113.24 2qry s VAL 108 Ca 0.06 -1.20 -0.32 0.00 0.00 0.00 0.00 61.98 60.52 2qry s VAL 108 Cb -0.17 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.12 2qry s VAL 108 CO -0.22 -0.20 1.81 -2.65 0.00 0.00 0.00 175.10 173.84 2qry n PRO 109 N 1.44 2.70 -0.45 2.72 -0.02 -1.26 -0.44 135.00 139.69 2qry n PRO 109 Ca -0.21 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2qry n PRO 109 Cb 0.54 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2qry n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qry n GLY 110 N 4.15 0.91 1.74 -1.23 0.00 -1.26 -4.91 105.19 104.59 2qry n GLY 110 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 -2.16 3.56 -0.02 0.00 0.42 -4.99 105.19 100.01 2qry n GLY 111 Ca 0.00 -1.46 -0.00 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 -0.90 -1.22 -0.32 1.61 -0.11 -1.26 -4.77 118.94 111.96 2qry s TRP 112 Ca 0.00 2.04 -0.01 0.00 1.22 0.00 0.00 56.10 59.36 2qry s TRP 112 Cb 0.00 0.71 0.11 0.00 -1.50 0.00 0.00 33.47 32.78 2qry s TRP 112 CO 0.00 -0.61 0.12 -0.80 -4.62 0.00 0.00 176.95 171.04 2qry s ASN 113 N 2.81 3.90 -0.24 5.86 0.01 -1.26 -5.03 114.94 120.98 2qry s ASN 113 Ca -0.04 -1.74 -0.11 0.00 -0.71 0.00 0.00 52.86 50.26 2qry s ASN 113 Cb -0.11 -0.81 0.09 0.00 0.41 0.00 0.00 41.25 40.82 2qry s ASN 113 CO -0.19 -0.40 0.56 0.21 -1.51 0.00 0.00 177.10 175.78 2qry s ASN 114 N 1.50 -0.76 0.44 -1.22 3.84 -1.26 -5.04 114.94 112.43 2qry s ASN 114 Ca 0.11 1.28 0.27 0.00 0.21 0.00 0.00 52.86 54.73 2qry s ASN 114 Cb -0.18 1.45 0.83 0.00 -0.55 0.00 0.00 41.25 42.79 2qry s ASN 114 CO -0.22 -0.22 1.78 -2.24 -2.79 0.00 0.00 177.10 173.40 2qry h ASP 115 N 7.49 0.00 0.00 -4.21 3.04 -1.98 -3.40 116.42 117.36 2qry h ASP 115 Ca -0.26 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.38 2qry h ASP 115 Cb 1.16 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.43 2qry h ASP 115 CO 0.17 0.00 -1.37 0.41 -2.04 0.00 0.00 179.24 176.41 2qry n THR 116 N -2.91 1.36 -3.25 1.15 -1.04 -1.26 -1.75 114.28 106.58 2qry n THR 116 Ca 0.03 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.64 2qry n THR 116 Cb 0.41 -2.04 -0.07 0.00 -1.82 0.00 0.00 70.33 66.81 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 -2.60 3.34 -0.24 -1.42 0.08 -1.26 -4.02 117.98 111.86 2qry s PHE 117 Ca -0.26 0.73 -0.10 0.00 0.12 0.00 0.00 56.93 57.42 2qry s PHE 117 Cb 0.07 -2.68 -0.05 0.00 -0.57 0.00 0.00 43.02 39.79 2qry s PHE 117 CO 0.36 -0.15 0.14 0.08 -0.10 0.00 0.00 175.22 175.56 2qry s VAL 118 N 1.81 5.14 0.52 -0.44 1.01 0.06 -4.78 120.40 123.72 2qry s VAL 118 Ca 0.23 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 2qry s VAL 118 Cb -0.15 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 2qry s VAL 118 CO 0.09 0.34 1.09 -2.84 0.00 0.00 0.00 175.10 173.78 2qry s PRO 119 N 1.20 3.53 0.00 2.72 0.02 -1.26 -1.14 135.00 140.07 2qry s PRO 119 Ca 0.07 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.57 2qry s PRO 119 Cb -0.14 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.34 2qry s PRO 119 CO 0.05 -0.68 0.00 1.97 -0.33 0.00 0.00 177.00 178.02 2qry n PHE 120 N -1.21 0.00 -3.61 6.54 1.16 -0.87 -4.74 117.46 114.73 2qry n PHE 120 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.68 2qry n PHE 120 Cb 0.52 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.38 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 -0.62 -0.08 0.14 5.98 1.47 -1.26 -3.79 116.67 118.51 2qry s ASP 121 Ca 0.00 -0.10 -0.10 0.00 1.18 0.00 0.00 52.55 53.53 2qry s ASP 121 Cb 0.00 0.16 0.00 0.00 -0.34 0.00 0.00 42.92 42.74 2qry s ASP 121 CO 0.00 -0.29 0.29 -0.72 0.68 0.00 0.00 175.17 175.14 2qry s TYR 122 N -2.44 0.23 0.03 2.11 -0.85 -0.01 -1.41 117.35 115.01 2qry s TYR 122 Ca 0.13 -0.60 -0.03 0.00 -0.52 0.00 0.00 57.07 56.05 2qry s TYR 122 Cb 0.03 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.40 2qry s TYR 122 CO -0.04 -0.69 0.14 0.41 -1.52 0.00 0.00 175.55 173.85 2qry n GLY 123 N -0.19 1.26 2.88 5.49 0.00 -0.27 -0.79 105.19 113.58 2qry n GLY 123 Ca -0.10 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 -5.68 0.92 0.35 1.61 2.02 -1.26 -1.55 117.35 113.76 2qry s TYR 124 Ca 0.03 -0.32 -0.28 0.00 -0.37 0.00 0.00 57.07 56.13 2qry s TYR 124 Cb -0.00 -0.83 -0.10 0.00 -0.40 0.00 0.00 41.96 40.62 2qry s TYR 124 CO 0.01 -0.28 1.30 -0.06 -1.57 0.00 0.00 175.55 174.95 2qry s PHE 125 N 1.26 3.00 0.06 2.71 0.08 -1.13 -0.54 117.98 123.44 2qry s PHE 125 Ca -0.05 1.42 -0.26 0.00 0.12 0.00 0.00 56.93 58.15 2qry s PHE 125 Cb -0.14 -3.67 0.08 0.00 -0.57 0.00 0.00 43.02 38.72 2qry s PHE 125 CO -0.02 -1.89 0.69 0.00 -0.10 0.00 0.00 175.22 173.90 2qry s ALA 126 N -1.17 -1.70 -0.14 5.36 0.00 0.00 -4.51 121.76 119.59 2qry s ALA 126 Ca 0.51 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 2qry s ALA 126 Cb -0.39 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2qry s ALA 126 CO 0.52 -0.63 0.70 -0.06 0.00 0.00 0.00 175.76 176.29 2qry s PHE 127 N -2.85 3.46 -0.03 0.00 0.40 -1.26 0.64 117.98 118.34 2qry s PHE 127 Ca -0.02 1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 57.38 2qry s PHE 127 Cb -0.01 -2.85 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 2qry s PHE 127 CO -0.06 -0.09 0.21 0.08 0.70 0.00 0.00 175.22 176.06 2qry s VAL 128 N 1.56 5.40 0.26 -0.44 1.01 -0.14 -1.17 120.40 126.88 2qry s VAL 128 Ca 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2qry s VAL 128 Cb -0.17 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2qry s VAL 128 CO 0.13 0.40 0.30 -0.72 0.00 0.00 0.00 175.10 175.22 2qry s TYR 129 N -1.25 1.08 -0.38 5.22 1.13 -0.13 -2.14 117.35 120.88 2qry s TYR 129 Ca 0.25 -1.28 -0.11 0.00 -1.41 0.00 0.00 57.07 54.52 2qry s TYR 129 Cb -0.13 -0.34 0.03 0.00 -1.10 0.00 0.00 41.96 40.43 2qry s TYR 129 CO 0.15 -0.85 0.22 0.34 -2.51 0.00 0.00 175.55 172.89 2qry s ASP 130 N -3.18 5.74 0.63 -0.18 -1.08 -1.26 -1.56 116.67 115.78 2qry s ASP 130 Ca 0.34 -1.05 0.36 0.00 -0.52 0.00 0.00 52.55 51.68 2qry s ASP 130 Cb 0.03 -2.03 2.02 0.00 -1.46 0.00 0.00 42.92 41.49 2qry s ASP 130 CO 0.16 -0.41 2.23 0.11 0.52 0.00 0.00 175.17 177.78 2qry h LYS 131 N 8.44 0.00 0.00 4.34 1.57 -0.99 0.52 116.57 130.45 2qry h LYS 131 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2qry h LYS 131 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2qry h LYS 131 CO 0.68 0.00 0.00 -0.91 -0.57 0.00 0.00 179.45 178.65 2qry h ASN 132 N 0.00 0.00 0.00 0.86 2.35 -1.93 -3.34 115.58 113.52 2qry h ASN 132 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2qry h ASN 132 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2qry h ASN 132 CO -0.00 0.00 -1.56 0.29 -1.65 0.00 0.00 177.43 174.51 2qry n LYS 133 N -3.06 1.20 -4.02 0.81 5.02 0.72 -4.90 118.16 113.92 2qry n LYS 133 Ca 0.04 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 2qry n LYS 133 Cb 0.49 -1.25 -0.15 0.00 -0.02 0.00 0.00 35.03 34.10 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 -4.14 3.72 -0.04 -0.35 0.20 0.15 -5.00 118.68 113.21 2qry s LEU 134 Ca -0.04 -1.64 -0.24 0.00 0.69 0.00 0.00 54.13 52.90 2qry s LEU 134 Cb 0.05 -1.49 -0.23 0.00 -0.43 0.00 0.00 46.19 44.09 2qry s LEU 134 CO 0.42 -0.27 1.04 0.07 -0.29 0.00 0.00 176.35 177.32 2qry h LYS 135 N 7.76 0.21 -2.51 1.98 -0.00 -1.85 -3.40 116.57 118.76 2qry h LYS 135 Ca -0.13 -0.22 -0.62 0.00 -0.00 0.00 0.00 60.65 59.68 2qry h LYS 135 Cb 1.04 0.06 -0.41 0.00 -0.00 0.00 0.00 32.23 32.92 2qry h LYS 135 CO 0.47 0.95 -0.52 0.09 -0.00 0.00 0.00 179.45 180.44 2qry n ASN 136 N -4.46 3.69 -4.73 7.07 3.02 -1.26 -5.09 115.26 113.49 2qry n ASN 136 Ca -0.10 -3.37 -0.33 0.00 -0.03 0.00 0.00 54.58 50.75 2qry n ASN 136 Cb 0.53 -0.73 0.09 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.18 2.20 0.73 3.52 0.04 -1.26 -4.98 135.00 133.06 2qry s PRO 137 Ca 0.35 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 2qry s PRO 137 Cb 0.08 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.80 2qry s PRO 137 CO -0.06 -1.76 1.22 -1.25 0.04 0.00 0.00 177.00 175.20 2qry s PRO 138 N -4.09 2.14 -0.03 0.56 0.04 -1.26 -4.95 135.00 127.42 2qry s PRO 138 Ca 0.71 1.82 0.06 0.00 0.04 0.00 0.00 61.00 63.64 2qry s PRO 138 Cb -0.26 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.62 2qry s PRO 138 CO 0.46 -1.85 1.12 1.04 0.04 0.00 0.00 177.00 177.82 2qry n GLN 139 N -2.64 2.77 -3.53 4.56 6.02 -1.26 -4.81 117.38 118.50 2qry n GLN 139 Ca 0.14 -1.88 -0.12 0.00 -0.01 0.00 0.00 57.00 55.13 2qry n GLN 139 Cb 0.50 -1.19 -0.04 0.00 1.02 0.00 0.00 30.24 30.52 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 -1.26 -0.47 0.35 1.08 1.04 -1.26 -2.02 113.70 111.16 2qry s SER 140 Ca 0.13 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.96 2qry s SER 140 Cb 0.09 0.42 0.66 0.00 0.10 0.00 0.00 66.02 67.28 2qry s SER 140 CO 0.06 -0.55 1.95 0.25 0.98 0.00 0.00 173.24 175.94 2qry h LEU 141 N 2.50 0.58 -0.55 2.42 6.46 -1.95 -2.19 115.31 122.58 2qry h LEU 141 Ca -0.23 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2qry h LEU 141 Cb 1.19 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 2qry h LEU 141 CO 0.34 0.52 0.35 0.50 -0.62 0.00 0.00 178.44 179.53 2qry h LYS 142 N 0.64 0.74 -0.23 1.25 3.64 -1.98 -1.84 116.57 118.78 2qry h LYS 142 Ca 0.16 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2qry h LYS 142 Cb 0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2qry h LYS 142 CO -0.02 0.51 0.01 1.49 -2.27 0.00 0.00 179.45 179.17 2qry h GLU 143 N 0.74 0.40 -0.99 1.90 4.81 -1.82 -0.03 114.58 119.58 2qry h GLU 143 Ca 0.20 -0.12 0.16 0.00 -0.13 0.00 0.00 59.36 59.47 2qry h GLU 143 Cb -0.06 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.19 2qry h GLU 143 CO -0.04 0.57 0.61 1.25 -0.73 0.00 0.00 179.01 180.67 2qry h LEU 144 N 0.17 0.82 0.12 1.64 6.46 -1.17 0.72 115.31 124.07 2qry h LEU 144 Ca 0.07 0.08 -0.28 0.00 -0.12 0.00 0.00 57.88 57.62 2qry h LEU 144 Cb 0.38 -0.08 0.03 0.00 -0.73 0.00 0.00 40.66 40.27 2qry h LEU 144 CO 0.01 0.35 -1.17 0.58 -0.62 0.00 0.00 178.44 177.59 2qry h VAL 145 N 0.84 1.31 0.00 1.05 2.07 -1.12 -3.39 116.25 117.01 2qry h VAL 145 Ca 0.54 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 2qry h VAL 145 Cb 0.73 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2qry h VAL 145 CO -0.34 0.74 -1.79 -0.62 0.02 0.00 0.00 177.57 175.58 2qry n GLU 146 N -3.85 0.65 -1.22 1.57 1.02 -0.04 -4.37 120.64 114.39 2qry n GLU 146 Ca -0.14 -0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.51 2qry n GLU 146 Cb 0.95 -1.59 0.07 0.00 -0.02 0.00 0.00 31.44 30.86 2qry n GLU 146 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2qry n SER 147 N -2.35 -1.36 0.02 1.62 2.88 0.25 -4.89 113.62 109.78 2qry n SER 147 Ca -0.03 0.57 0.12 0.00 -1.33 0.00 0.00 58.87 58.20 2qry n SER 147 Cb 0.57 -1.20 0.32 0.00 -0.75 0.00 0.00 64.21 63.15 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 -0.27 0.45 -4.76 -3.46 9.92 -1.26 -4.88 116.55 112.29 2qry n ASP 148 Ca 0.10 0.03 -0.39 0.00 -0.53 0.00 0.00 54.79 54.00 2qry n ASP 148 Cb 0.50 0.02 0.03 0.00 -0.64 0.00 0.00 41.12 41.02 2qry n ASP 148 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2qry s GLN 149 N -3.04 3.45 -1.21 -1.24 -1.52 -1.26 -4.91 119.66 109.93 2qry s GLN 149 Ca 0.11 2.26 -0.04 0.00 -1.95 0.00 0.00 55.36 55.74 2qry s GLN 149 Cb 0.17 -2.45 0.20 0.00 -0.22 0.00 0.00 33.01 30.70 2qry s GLN 149 CO 0.66 -0.95 2.16 0.09 -0.25 0.00 0.00 175.29 176.99 2qry n ASN 150 N -0.60 7.71 -4.76 5.90 3.02 -1.26 -4.99 115.26 120.28 2qry n ASN 150 Ca 0.08 -3.35 -0.40 0.00 -0.03 0.00 0.00 54.58 50.88 2qry n ASN 150 Cb 0.44 -1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 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 -2.31 3.38 -0.16 3.10 0.51 -1.26 -5.01 118.94 117.19 2qry s TRP 151 Ca 0.48 1.62 -0.15 0.00 -2.12 0.00 0.00 56.10 55.93 2qry s TRP 151 Cb 0.18 -3.37 -0.04 0.00 -0.81 0.00 0.00 33.47 29.43 2qry s TRP 151 CO -0.10 -0.93 0.33 1.03 -0.51 0.00 0.00 176.95 176.77 2qry s ARG 152 N -1.71 4.27 0.05 4.98 1.81 -1.26 -4.69 118.95 122.39 2qry s ARG 152 Ca 0.48 0.16 0.07 0.00 -1.72 0.00 0.00 55.73 54.72 2qry s ARG 152 Cb -0.33 -3.44 -0.03 0.00 -0.45 0.00 0.00 34.95 30.71 2qry s ARG 152 CO 0.42 0.20 -0.19 0.08 -0.68 0.00 0.00 175.30 175.13 2qry s VAL 153 N 0.58 1.56 -0.02 3.52 1.01 0.89 -0.87 120.40 127.07 2qry s VAL 153 Ca 0.18 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2qry s VAL 153 Cb -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2qry s VAL 153 CO 0.05 0.13 -0.07 -0.63 0.00 0.00 0.00 175.10 174.59 2qry s ILE 154 N -0.85 0.58 0.35 2.22 1.01 -0.67 -0.49 121.20 123.36 2qry s ILE 154 Ca 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 2qry s ILE 154 Cb -0.09 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.86 2qry s ILE 154 CO 0.02 0.19 0.49 -0.72 0.00 0.00 0.00 174.94 174.92 2qry s TYR 155 N 0.16 1.07 0.20 3.97 -0.85 -1.21 -1.80 117.35 118.89 2qry s TYR 155 Ca -0.02 -1.31 0.05 0.00 -0.52 0.00 0.00 57.07 55.27 2qry s TYR 155 Cb -0.07 -0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 2qry s TYR 155 CO -0.00 -1.17 0.29 -0.65 -1.52 0.00 0.00 175.55 172.50 2qry s GLN 156 N -2.95 3.31 -0.09 -3.49 1.11 -1.26 -2.27 119.66 114.02 2qry s GLN 156 Ca 0.30 -0.76 -0.30 0.00 0.01 0.00 0.00 55.36 54.61 2qry s GLN 156 Cb -0.01 -2.84 -0.04 0.00 -1.01 0.00 0.00 33.01 29.12 2qry s GLN 156 CO 0.21 0.46 1.46 0.34 0.01 0.00 0.00 175.29 177.76 2qry s ASP 157 N -3.63 6.81 0.45 5.90 -1.08 0.65 -4.38 116.67 121.38 2qry s ASP 157 Ca 0.34 1.99 0.31 0.00 -0.52 0.00 0.00 52.55 54.66 2qry s ASP 157 Cb -0.10 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.38 2qry s ASP 157 CO 0.28 -0.83 1.93 1.55 0.52 0.00 0.00 175.17 178.62 2qry h PRO 158 N 8.75 0.00 0.00 4.34 0.13 -1.80 0.46 132.00 143.88 2qry h PRO 158 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2qry h PRO 158 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2qry h PRO 158 CO 0.95 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.61 2qry h ARG 159 N 0.00 0.00 0.00 0.86 3.08 -1.92 -3.38 114.38 113.02 2qry h ARG 159 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qry h ARG 159 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2qry h ARG 159 CO 0.00 0.00 -0.92 0.25 -1.07 0.00 0.00 179.97 178.23 2qry n THR 160 N -2.68 0.00 -4.43 2.04 -2.24 -0.73 -4.21 114.28 102.03 2qry n THR 160 Ca 0.04 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 2qry n THR 160 Cb 0.49 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.31 4.90 0.20 3.42 0.15 0.07 -1.14 113.70 117.99 2qry s SER 161 Ca 0.00 -0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.52 2qry s SER 161 Cb 0.00 -1.59 0.14 0.00 -1.71 0.00 0.00 66.02 62.85 2qry s SER 161 CO 0.00 0.26 1.80 0.71 1.20 0.00 0.00 173.24 177.21 2qry h THR 162 N 4.73 1.23 -0.10 6.45 1.35 -1.88 0.30 112.91 124.99 2qry h THR 162 Ca -0.39 -0.62 -0.04 0.00 -0.55 0.00 0.00 66.41 64.81 2qry h THR 162 Cb 1.19 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2qry h THR 162 CO 0.59 0.27 -0.11 -0.65 -0.25 0.00 0.00 175.52 175.37 2qry h PRO 163 N 1.03 0.15 -0.22 4.72 0.11 -1.95 0.69 132.00 136.53 2qry h PRO 163 Ca 0.26 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 2qry h PRO 163 Cb 0.08 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 2qry h PRO 163 CO -0.04 0.28 -0.17 0.78 -0.21 0.00 0.00 178.00 178.63 2qry h GLY 164 N 0.60 0.54 1.20 -0.55 0.00 -1.40 -1.12 103.07 102.34 2qry h GLY 164 Ca 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2qry h GLY 164 CO 0.02 0.48 0.26 -2.00 0.00 0.00 0.00 176.54 175.30 2qry h LEU 165 N 0.19 0.93 -0.13 3.11 6.46 0.34 -1.80 115.31 124.41 2qry h LEU 165 Ca 0.04 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.69 2qry h LEU 165 Cb 0.71 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 2qry h LEU 165 CO 0.05 0.84 -0.04 1.23 -0.62 0.00 0.00 178.44 179.90 2qry h GLY 166 N 1.07 0.09 1.23 3.75 0.00 0.66 -1.15 103.07 108.72 2qry h GLY 166 Ca 0.23 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 2qry h GLY 166 CO -0.02 -0.06 0.31 -2.00 0.00 0.00 0.00 176.54 174.78 2qry h LEU 167 N -0.01 0.90 -0.46 3.11 5.85 -0.83 0.12 115.31 124.00 2qry h LEU 167 Ca 0.07 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2qry h LEU 167 Cb 0.11 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2qry h LEU 167 CO -0.14 0.77 0.30 0.25 -0.34 0.00 0.00 178.44 179.28 2qry h LEU 168 N 0.98 0.51 -0.49 2.25 5.85 -0.81 -2.77 115.31 120.83 2qry h LEU 168 Ca 0.24 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.78 2qry h LEU 168 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2qry h LEU 168 CO -0.03 0.37 -0.70 -0.07 -0.34 0.00 0.00 178.44 177.67 2qry h LEU 169 N 0.61 0.33 -1.20 2.25 3.38 -0.80 -2.26 115.31 117.63 2qry h LEU 169 Ca 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qry h LEU 169 Cb -0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2qry h LEU 169 CO -0.04 0.93 0.00 1.87 0.09 0.00 0.00 178.44 181.29 2qry n TRP 170 N -3.81 0.00 0.00 1.13 -0.00 0.40 -0.94 117.44 114.22 2qry n TRP 170 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2qry n TRP 170 Cb 0.69 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.97 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 0.55 0.00 -0.18 5.87 -0.06 -0.85 -1.92 117.38 120.78 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 0.03 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.23 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 0.75 -0.04 3.69 1.79 -1.33 0.78 116.57 122.21 2qry h LYS 173 Ca 0.00 -0.12 -0.22 0.00 -2.18 0.00 0.00 60.65 58.13 2qry h LYS 173 Cb 0.00 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2qry h LYS 173 CO 0.00 0.63 -0.88 0.28 -1.08 0.00 0.00 179.45 178.40 2qry h VAL 174 N 0.69 1.37 0.00 0.50 2.07 -1.65 -3.38 116.25 115.84 2qry h VAL 174 Ca 0.18 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2qry h VAL 174 Cb 0.14 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2qry h VAL 174 CO -0.02 0.69 -1.11 -1.22 0.02 0.00 0.00 177.57 175.93 2qry n TYR 175 N -3.81 0.00 -1.79 1.57 4.02 -1.22 -5.07 117.16 110.86 2qry n TYR 175 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2qry n TYR 175 Cb 0.80 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 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 1.68 3.29 0.00 2.72 0.00 0.27 -1.24 105.19 111.91 2qry n GLY 176 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 3.20 0.00 -1.01 1.61 8.00 -1.26 -1.58 116.55 125.52 2qry n ASP 177 Ca 0.00 0.26 0.10 0.00 0.71 0.00 0.00 54.79 55.85 2qry n ASP 177 Cb 0.00 -0.32 0.26 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.32 2.95 -0.19 -2.24 8.00 -0.37 -4.50 116.55 118.87 2qry n ASP 178 Ca 0.03 -1.96 -0.00 0.00 0.71 0.00 0.00 54.79 53.56 2qry n ASP 178 Cb 0.05 -0.32 0.10 0.00 -0.02 0.00 0.00 41.12 40.92 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 4.12 0.69 -0.80 2.24 0.00 -1.42 -2.08 119.26 122.02 2qry h ALA 179 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2qry h ALA 179 Cb 0.77 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2qry h ALA 179 CO 0.00 -0.28 0.52 -1.00 0.00 0.00 0.00 179.25 178.49 2qry h PRO 180 N 0.29 0.99 -0.58 0.00 0.13 -1.86 0.55 132.00 131.52 2qry h PRO 180 Ca 0.30 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.26 2qry h PRO 180 Cb 0.41 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 2qry h PRO 180 CO -0.36 0.66 -0.04 0.37 -0.23 0.00 0.00 178.00 178.40 2qry h GLN 181 N 1.02 1.05 -0.53 0.86 5.75 -1.82 -0.74 115.11 120.70 2qry h GLN 181 Ca 0.31 -0.35 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2qry h GLN 181 Cb -0.03 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 2qry h GLN 181 CO -0.10 1.05 0.10 0.00 -2.65 0.00 0.00 178.83 177.23 2qry h ALA 182 N 0.99 0.71 -0.86 3.38 0.00 -0.75 -2.73 119.26 120.00 2qry h ALA 182 Ca 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qry h ALA 182 Cb 0.60 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2qry h ALA 182 CO 0.04 0.43 0.53 -1.49 0.00 0.00 0.00 179.25 178.76 2qry h TRP 183 N 0.76 1.13 -0.71 0.00 4.06 0.53 -0.65 115.95 121.07 2qry h TRP 183 Ca 0.16 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.09 2qry h TRP 183 Cb 0.38 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 2qry h TRP 183 CO 0.03 0.74 0.35 1.96 -3.56 0.00 0.00 178.44 177.95 2qry h GLN 184 N 1.19 1.00 -0.36 0.49 4.20 -0.86 0.69 115.11 121.46 2qry h GLN 184 Ca 0.31 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 2qry h GLN 184 Cb -0.07 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2qry h GLN 184 CO -0.06 0.77 -0.33 0.87 -0.67 0.00 0.00 178.83 179.41 2qry h LYS 185 N 1.00 0.81 -0.09 1.46 1.57 -1.07 -2.94 116.57 117.31 2qry h LYS 185 Ca 0.25 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 2qry h LYS 185 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2qry h LYS 185 CO -0.03 1.02 -0.51 1.25 -0.57 0.00 0.00 179.45 180.61 2qry h LEU 186 N 0.68 0.26 -1.88 2.94 6.46 -0.62 -2.99 115.31 120.17 2qry h LEU 186 Ca 0.07 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2qry h LEU 186 Cb 0.88 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 2qry h LEU 186 CO 0.08 0.73 0.14 0.00 -0.62 0.00 0.00 178.44 178.76 2qry h ALA 187 N 1.28 1.99 0.00 1.25 0.00 -0.69 -1.13 119.26 121.96 2qry h ALA 187 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qry h ALA 187 Cb 0.96 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qry h ALA 187 CO 0.08 -0.02 -0.00 0.87 0.00 0.00 0.00 179.25 180.18 2qry h LYS 188 N 0.16 0.00 -0.21 0.00 1.57 -1.50 -2.54 116.57 114.05 2qry h LYS 188 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2qry h LYS 188 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2qry h LYS 188 CO -0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.50 2qry n LYS 189 N -3.09 1.92 -2.93 3.15 5.02 -0.47 -4.96 118.16 116.80 2qry n LYS 189 Ca 0.01 -1.84 -0.42 0.00 -2.02 0.00 0.00 58.31 54.04 2qry n LYS 189 Cb 0.31 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.29 4.82 -0.02 -0.18 2.01 -0.96 -0.08 115.64 119.94 2qry s THR 190 Ca 0.26 1.33 -0.21 0.00 0.31 0.00 0.00 61.69 63.38 2qry s THR 190 Cb 0.16 -4.13 -0.24 0.00 0.01 0.00 0.00 72.50 68.30 2qry s THR 190 CO 0.23 -0.17 1.05 0.58 -0.69 0.00 0.00 174.62 175.62 2qry h VAL 191 N 5.53 1.48 -2.25 3.82 2.07 -1.11 -3.47 116.25 122.31 2qry h VAL 191 Ca -0.24 -2.09 0.19 0.00 0.82 0.00 0.00 66.70 65.38 2qry h VAL 191 Cb 1.10 2.72 -0.09 0.00 -1.52 0.00 0.00 31.29 33.49 2qry h VAL 191 CO 0.87 0.60 0.52 0.28 0.02 0.00 0.00 177.57 179.86 2qry s THR 192 N -3.09 0.00 -0.08 2.57 -1.32 -1.25 -5.08 115.64 107.38 2qry s THR 192 Ca -0.14 -0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 59.75 2qry s THR 192 Cb 0.02 -1.93 0.03 0.00 -1.51 0.00 0.00 72.50 69.11 2qry s THR 192 CO 0.80 0.00 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.49 2qry s VAL 193 N -3.19 0.60 0.30 5.08 1.01 -1.26 -3.32 120.40 119.61 2qry s VAL 193 Ca 0.12 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2qry s VAL 193 Cb -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2qry s VAL 193 CO 0.01 0.29 0.34 0.42 0.00 0.00 0.00 175.10 176.15 2qry s THR 194 N 1.71 4.18 0.18 3.92 -4.23 -0.96 -4.85 115.64 115.58 2qry s THR 194 Ca 0.02 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2qry s THR 194 Cb -0.13 -3.41 -0.12 0.00 1.34 0.00 0.00 72.50 70.18 2qry s THR 194 CO -0.05 -0.23 1.41 0.11 -0.54 0.00 0.00 174.62 175.32 2qry h LYS 195 N 1.18 0.26 -5.37 3.99 1.57 -1.92 0.18 116.57 116.46 2qry h LYS 195 Ca -0.47 -0.25 -0.41 0.00 -1.87 0.00 0.00 60.65 57.65 2qry h LYS 195 Cb 1.25 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.48 2qry h LYS 195 CO 0.58 0.93 -0.72 0.20 -0.57 0.00 0.00 179.45 179.87 2qry s GLY 196 N -4.43 1.36 0.13 3.86 0.00 -1.26 -3.39 107.32 103.58 2qry s GLY 196 Ca -0.04 -1.64 -0.18 0.00 0.00 0.00 0.00 44.72 42.87 2qry s GLY 196 CO 0.83 -1.71 1.72 -0.25 0.00 0.00 0.00 173.10 173.69 2qry h TRP 197 N 2.59 0.44 -0.60 1.90 7.01 -1.97 -3.15 115.95 122.17 2qry h TRP 197 Ca -0.38 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 60.71 2qry h TRP 197 Cb 1.21 -0.14 -0.11 0.00 -2.10 0.00 0.00 29.16 28.02 2qry h TRP 197 CO 0.68 0.36 -0.34 0.77 -2.79 0.00 0.00 178.44 177.13 2qry h SER 198 N 0.38 -1.17 -0.68 2.65 0.02 -1.99 0.81 113.55 113.58 2qry h SER 198 Ca 0.11 0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2qry h SER 198 Cb 0.08 0.58 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2qry h SER 198 CO -0.02 -0.30 0.30 -0.08 -1.14 0.00 0.00 176.83 175.59 2qry h GLU 199 N -0.16 1.00 0.07 3.45 4.81 -1.99 -1.29 114.58 120.46 2qry h GLU 199 Ca 0.23 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2qry h GLU 199 Cb 0.55 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2qry h GLU 199 CO -0.69 0.80 -0.16 0.00 -0.73 0.00 0.00 179.01 178.23 2qry h ALA 200 N 1.14 -0.25 -0.57 2.92 0.00 -1.16 -1.40 119.26 119.93 2qry h ALA 200 Ca 0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2qry h ALA 200 Cb 0.16 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2qry h ALA 200 CO -0.03 -0.68 0.15 -0.92 0.00 0.00 0.00 179.25 177.78 2qry h TYR 201 N -0.31 0.89 -0.65 0.00 5.03 -0.78 -1.95 116.97 119.20 2qry h TYR 201 Ca 0.03 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.22 2qry h TYR 201 Cb 0.34 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 2qry h TYR 201 CO -0.18 0.74 0.26 0.78 -1.32 0.00 0.00 178.16 178.43 2qry h GLY 202 N 0.99 1.05 1.12 1.82 0.00 -0.91 -0.44 103.07 106.70 2qry h GLY 202 Ca 0.19 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2qry h GLY 202 CO -0.00 0.54 0.05 1.41 0.00 0.00 0.00 176.54 178.54 2qry h LEU 203 N 0.92 1.03 0.25 3.11 3.38 -0.95 -0.90 115.31 122.15 2qry h LEU 203 Ca 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qry h LEU 203 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qry h LEU 203 CO -0.02 1.05 -0.20 0.15 0.09 0.00 0.00 178.44 179.51 2qry h PHE 204 N 0.98 -0.52 -0.08 1.13 3.57 -0.85 -1.21 116.94 119.96 2qry h PHE 204 Ca 0.18 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2qry h PHE 204 Cb 0.50 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 2qry h PHE 204 CO 0.03 -0.30 0.07 -0.07 -2.23 0.00 0.00 178.31 175.81 2qry h LEU 205 N -0.46 0.00 -0.05 0.59 3.38 -0.85 0.29 115.31 118.22 2qry h LEU 205 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qry h LEU 205 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qry h LEU 205 CO -0.02 0.00 -0.03 0.29 0.09 0.00 0.00 178.44 178.78 2qry n LYS 206 N -4.07 0.50 -0.28 1.13 5.02 -0.36 -4.91 118.16 115.18 2qry n LYS 206 Ca -0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2qry n LYS 206 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.28 0.78 0.00 0.72 0.00 0.10 -4.97 105.19 103.10 2qry n GLY 207 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.18 0.14 -3.56 1.61 1.02 -0.54 -4.80 120.64 112.33 2qry n GLU 208 Ca 0.00 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2qry n GLU 208 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 2qry n GLU 208 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2qry s SER 209 N -2.74 -0.40 0.15 1.62 1.04 -1.26 -4.91 113.70 107.21 2qry s SER 209 Ca 0.13 -0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.62 2qry s SER 209 Cb 0.11 0.51 -0.12 0.00 0.10 0.00 0.00 66.02 66.62 2qry s SER 209 CO 0.27 -0.82 1.25 0.44 0.98 0.00 0.00 173.24 175.35 2qry h ASP 210 N 2.46 0.00 -5.05 7.02 3.32 -1.32 -3.46 116.42 119.39 2qry h ASP 210 Ca -0.33 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.58 2qry h ASP 210 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 2qry h ASP 210 CO 0.42 0.82 -0.58 -0.76 -1.72 0.00 0.00 179.24 177.42 2qry s LEU 211 N -6.52 1.95 -0.02 1.55 1.43 -0.04 -4.26 118.68 112.75 2qry s LEU 211 Ca 0.01 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2qry s LEU 211 Cb 0.09 0.43 0.01 0.00 0.03 0.00 0.00 46.19 46.75 2qry s LEU 211 CO 0.80 -0.43 0.06 0.68 0.23 0.00 0.00 176.35 177.70 2qry s VAL 212 N -2.13 -0.00 -0.05 -1.59 -7.23 -0.91 -1.67 120.40 106.83 2qry s VAL 212 Ca -0.09 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.78 2qry s VAL 212 Cb -0.04 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.75 2qry s VAL 212 CO -0.03 0.00 1.41 -0.22 -0.31 0.00 0.00 175.10 175.95 2qry s LEU 213 N 0.04 4.29 0.00 1.32 0.20 -0.75 -0.96 118.68 122.81 2qry s LEU 213 Ca -0.00 2.03 0.00 0.00 0.69 0.00 0.00 54.13 56.85 2qry s LEU 213 Cb -0.00 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 2qry s LEU 213 CO 0.00 -0.76 0.00 -0.24 -0.29 0.00 0.00 176.35 175.06 2qry n SER 214 N 5.95 0.96 -4.22 3.68 2.88 0.21 -4.86 113.62 118.22 2qry n SER 214 Ca 0.14 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 2qry n SER 214 Cb 0.44 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.79 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 1.99 1.31 0.14 0.66 1.51 -1.24 -0.82 117.35 120.89 2qry s TYR 215 Ca 0.00 -0.55 0.30 0.00 -1.01 0.00 0.00 57.07 55.81 2qry s TYR 215 Cb 0.00 -0.70 1.65 0.00 -0.11 0.00 0.00 41.96 42.80 2qry s TYR 215 CO 0.00 0.10 1.93 1.79 -1.11 0.00 0.00 175.55 178.26 2qry h THR 216 N 3.70 0.00 -0.01 -0.71 1.35 -1.10 -0.20 112.91 115.93 2qry h THR 216 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2qry h THR 216 Cb 1.19 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2qry h THR 216 CO 0.49 0.00 -0.51 0.35 -0.25 0.00 0.00 175.52 175.59 2qry n THR 217 N -2.57 0.00 -0.20 6.82 -2.24 -1.26 -4.45 114.28 110.39 2qry n THR 217 Ca -0.02 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.64 2qry n THR 217 Cb 0.06 1.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.73 0.70 -0.17 3.42 0.02 -1.29 -1.57 113.55 116.39 2qry h SER 218 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2qry h SER 218 Cb 0.66 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2qry h SER 218 CO 0.00 0.45 0.11 -0.65 -1.14 0.00 0.00 176.83 175.61 2qry h PRO 219 N 0.80 0.16 -0.55 3.45 0.11 -1.78 -1.69 132.00 132.50 2qry h PRO 219 Ca 0.32 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.50 2qry h PRO 219 Cb 0.24 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 2qry h PRO 219 CO -0.11 0.11 0.37 0.00 -0.21 0.00 0.00 178.00 178.16 2qry h ALA 220 N 1.90 1.97 0.09 -0.75 0.00 -1.60 -1.01 119.26 119.87 2qry h ALA 220 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qry h ALA 220 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qry h ALA 220 CO -0.01 -0.09 -0.06 -0.92 0.00 0.00 0.00 179.25 178.18 2qry h TYR 221 N 0.41 -0.14 -0.45 0.00 3.20 -1.40 -2.08 116.97 116.50 2qry h TYR 221 Ca 0.25 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 2qry h TYR 221 Cb 0.44 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2qry h TYR 221 CO -0.00 -0.09 -0.07 0.45 -1.64 0.00 0.00 178.16 176.81 2qry h HIS 222 N -0.14 0.86 0.80 -3.82 3.86 -1.44 -1.17 115.15 114.08 2qry h HIS 222 Ca -0.01 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 2qry h HIS 222 Cb 0.12 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 28.37 2qry h HIS 222 CO -0.08 0.83 -0.38 0.82 0.86 0.00 0.00 177.93 179.97 2qry h ILE 223 N 0.72 0.18 -0.07 2.45 2.04 -0.67 -1.36 117.51 120.81 2qry h ILE 223 Ca 0.13 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 2qry h ILE 223 Cb 0.54 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2qry h ILE 223 CO 0.03 0.01 -0.09 -0.07 0.00 0.00 0.00 178.15 178.03 2qry h LEU 224 N -1.13 0.19 -0.10 1.44 4.07 -1.42 -0.98 115.31 117.39 2qry h LEU 224 Ca -0.11 -0.51 -0.22 0.00 0.08 0.00 0.00 57.88 57.12 2qry h LEU 224 Cb 0.83 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 2qry h LEU 224 CO 0.18 0.67 -1.00 -0.33 -1.08 0.00 0.00 178.44 176.88 2qry h GLU 225 N -0.28 0.12 -0.00 1.13 4.39 -1.34 -3.37 114.58 115.24 2qry h GLU 225 Ca 0.01 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2qry h GLU 225 Cb 0.62 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2qry h GLU 225 CO 0.02 1.02 0.00 0.39 -1.16 0.00 0.00 179.01 179.28 2qry n GLU 226 N -3.51 -0.78 -3.72 2.33 1.02 -0.69 -5.00 120.64 110.28 2qry n GLU 226 Ca -0.03 -0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 56.25 2qry n GLU 226 Cb 0.90 -1.03 0.06 0.00 -0.02 0.00 0.00 31.44 31.35 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 0.09 -7.02 -4.79 3.49 4.01 -0.37 -4.96 118.16 108.60 2qry n LYS 227 Ca 0.01 0.74 -0.27 0.00 -0.51 0.00 0.00 58.31 58.28 2qry n LYS 227 Cb 0.04 -5.73 -0.17 0.00 -0.51 0.00 0.00 35.03 28.66 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 -6.42 2.11 -0.19 1.97 1.02 -0.60 -4.97 119.74 112.67 2qry s LYS 228 Ca 0.61 -0.57 0.13 0.00 0.02 0.00 0.00 55.97 56.16 2qry s LYS 228 Cb -0.28 -1.68 0.40 0.00 -0.52 0.00 0.00 37.83 35.74 2qry s LYS 228 CO 0.77 0.09 1.20 -0.40 -0.92 0.00 0.00 175.35 176.09 2qry n ASP 229 N 3.68 1.78 0.15 2.83 5.75 -1.26 -2.11 116.55 127.36 2qry n ASP 229 Ca -0.21 -3.69 0.12 0.00 -0.01 0.00 0.00 54.79 51.00 2qry n ASP 229 Cb 0.52 -0.50 0.17 0.00 -1.03 0.00 0.00 41.12 40.28 2qry n ASP 229 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2qry h ASN 230 N 0.82 0.00 -3.33 -1.12 -1.07 -1.96 -3.45 115.58 105.47 2qry h ASN 230 Ca -0.01 -0.03 -0.56 0.00 0.07 0.00 0.00 56.30 55.77 2qry h ASN 230 Cb 1.04 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.25 2qry h ASN 230 CO 0.00 0.02 -0.03 -0.31 0.07 0.00 0.00 177.43 177.18 2qry s TYR 231 N -3.22 3.71 0.06 4.14 1.51 -1.26 -0.47 117.35 121.81 2qry s TYR 231 Ca 0.06 1.22 -0.10 0.00 -1.01 0.00 0.00 57.07 57.23 2qry s TYR 231 Cb 0.09 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 2qry s TYR 231 CO 0.70 0.48 0.21 0.00 -1.11 0.00 0.00 175.55 175.83 2qry s ALA 232 N -1.32 -0.37 -0.24 3.71 0.00 -0.60 -4.76 121.76 118.18 2qry s ALA 232 Ca 0.35 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.87 2qry s ALA 232 Cb -0.17 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2qry s ALA 232 CO 0.20 -0.43 0.08 0.00 0.00 0.00 0.00 175.76 175.60 2qry s ALA 233 N -3.07 3.25 0.03 0.00 0.00 -1.26 -0.96 121.76 119.74 2qry s ALA 233 Ca -0.01 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 2qry s ALA 233 Cb 0.01 -2.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 2qry s ALA 233 CO -0.07 -0.33 1.42 0.00 0.00 0.00 0.00 175.76 176.78 2qry s ALA 234 N 1.32 3.59 -0.47 0.00 0.00 -0.32 -4.97 121.76 120.92 2qry s ALA 234 Ca 0.05 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 2qry s ALA 234 Cb -0.15 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.41 2qry s ALA 234 CO 0.04 -0.86 0.80 1.21 0.00 0.00 0.00 175.76 176.95 2qry s ASN 235 N 1.77 6.38 0.11 0.00 2.47 -1.26 -4.51 114.94 119.90 2qry s ASN 235 Ca 0.65 -0.22 -0.17 0.00 0.42 0.00 0.00 52.86 53.55 2qry s ASN 235 Cb -0.33 -2.39 -0.07 0.00 -1.45 0.00 0.00 41.25 37.01 2qry s ASN 235 CO 0.28 -0.97 0.55 -0.36 -3.72 0.00 0.00 177.10 172.88 2qry s PHE 236 N 3.35 3.70 0.40 0.43 0.08 -1.26 -4.68 117.98 120.01 2qry s PHE 236 Ca 0.29 1.16 0.36 0.00 0.12 0.00 0.00 56.93 58.85 2qry s PHE 236 Cb -0.13 -2.43 1.79 0.00 -0.57 0.00 0.00 43.02 41.69 2qry s PHE 236 CO 0.21 0.51 2.16 0.66 -0.10 0.00 0.00 175.22 178.66 2qry h SER 237 N 4.05 0.00 1.31 1.36 4.64 -1.79 -1.82 113.55 121.31 2qry h SER 237 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2qry h SER 237 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2qry h SER 237 CO 0.64 0.03 0.00 -0.33 -0.87 0.00 0.00 176.83 176.31 2qry h GLU 238 N 0.00 0.00 0.00 4.77 3.07 -1.94 -3.49 114.58 116.99 2qry h GLU 238 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qry h GLU 238 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 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 0.50 1.01 3.35 -3.84 0.00 -0.68 -4.94 105.19 100.58 2qry n GLY 239 Ca 0.02 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.57 2.05 0.11 1.61 0.09 -0.72 -4.81 115.29 112.05 2qry s HIS 240 Ca 0.00 -0.40 -0.30 0.00 -0.00 0.00 0.00 55.06 54.36 2qry s HIS 240 Cb 0.00 -1.10 -0.06 0.00 -0.00 0.00 0.00 32.58 31.42 2qry s HIS 240 CO 0.00 0.30 0.97 -0.47 -0.00 0.00 0.00 174.74 175.55 2qry s TYR 241 N -1.26 3.79 0.02 1.40 6.14 -1.26 0.14 117.35 126.31 2qry s TYR 241 Ca 0.12 1.78 -0.19 0.00 0.64 0.00 0.00 57.07 59.42 2qry s TYR 241 Cb -0.09 -3.08 -0.06 0.00 0.42 0.00 0.00 41.96 39.15 2qry s TYR 241 CO 0.06 0.13 0.54 -1.17 0.64 0.00 0.00 175.55 175.75 2qry s LEU 242 N 0.02 4.46 -0.07 6.97 2.96 -0.11 -2.82 118.68 130.09 2qry s LEU 242 Ca 0.47 1.14 0.04 0.00 -0.22 0.00 0.00 54.13 55.57 2qry s LEU 242 Cb -0.24 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.62 2qry s LEU 242 CO 0.30 0.20 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.75 2qry s GLN 243 N -0.64 2.36 -0.24 1.98 0.74 -0.59 -4.92 119.66 118.35 2qry s GLN 243 Ca 0.29 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 55.00 2qry s GLN 243 Cb -0.18 -1.89 0.06 0.00 1.10 0.00 0.00 33.01 32.10 2qry s GLN 243 CO 0.17 0.19 -0.06 0.08 -0.55 0.00 0.00 175.29 175.12 2qry s VAL 244 N 0.28 1.62 0.40 1.34 1.01 -1.26 -1.12 120.40 122.67 2qry s VAL 244 Ca -0.12 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 2qry s VAL 244 Cb -0.15 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.25 2qry s VAL 244 CO 0.05 -0.10 0.98 -1.61 0.00 0.00 0.00 175.10 174.42 2qry s GLU 245 N 1.35 4.25 0.21 2.72 2.02 -0.50 -0.85 118.70 127.91 2qry s GLU 245 Ca -0.06 1.29 -0.00 0.00 0.02 0.00 0.00 54.97 56.22 2qry s GLU 245 Cb -0.19 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 2qry s GLU 245 CO -0.06 -0.02 0.11 0.14 0.02 0.00 0.00 175.26 175.45 2qry s VAL 246 N -1.89 0.19 0.04 2.63 -7.23 -0.02 -2.04 120.40 112.08 2qry s VAL 246 Ca 0.59 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2qry s VAL 246 Cb -0.15 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2qry s VAL 246 CO 0.20 -0.03 -0.03 0.00 -0.31 0.00 0.00 175.10 174.93 2qry s ALA 247 N -4.02 0.34 0.03 1.32 0.00 -0.29 -1.93 121.76 117.21 2qry s ALA 247 Ca 0.38 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 2qry s ALA 247 Cb 0.07 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.43 2qry s ALA 247 CO 0.12 -0.24 0.48 0.00 0.00 0.00 0.00 175.76 176.12 2qry s ALA 248 N -2.55 -1.22 0.16 0.00 0.00 -1.15 -0.76 121.76 116.25 2qry s ALA 248 Ca -0.05 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 2qry s ALA 248 Cb -0.02 0.31 -0.07 0.00 0.00 0.00 0.00 23.12 23.34 2qry s ALA 248 CO -0.05 -0.45 0.50 -0.98 0.00 0.00 0.00 175.76 174.77 2qry s ARG 249 N -2.24 3.83 0.42 0.00 1.70 -1.26 -1.91 118.95 119.49 2qry s ARG 249 Ca -0.07 0.28 -0.19 0.00 -0.47 0.00 0.00 55.73 55.29 2qry s ARG 249 Cb -0.01 -2.84 -0.10 0.00 -0.57 0.00 0.00 34.95 31.43 2qry s ARG 249 CO -0.00 0.44 0.91 0.95 -1.08 0.00 0.00 175.30 176.51 2qry s THR 250 N -1.59 4.47 0.28 4.99 -4.23 -0.39 -0.81 115.64 118.37 2qry s THR 250 Ca 0.40 1.33 0.04 0.00 -1.18 0.00 0.00 61.69 62.29 2qry s THR 250 Cb -0.13 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.13 2qry s THR 250 CO 0.20 -0.34 1.70 0.00 -0.54 0.00 0.00 174.62 175.64 2qry h ALA 251 N 1.86 1.08 -0.00 3.99 0.00 -0.41 -2.85 119.26 122.93 2qry h ALA 251 Ca -0.48 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2qry h ALA 251 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qry h ALA 251 CO 0.62 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 180.45 2qry n ALA 252 N -2.48 2.67 -1.70 0.00 0.00 -1.26 -4.91 120.51 112.82 2qry n ALA 252 Ca -0.01 -0.22 -0.44 0.00 0.00 0.00 0.00 53.44 52.77 2qry n ALA 252 Cb 0.46 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.90 3.30 -0.74 0.00 2.88 -1.08 -4.87 113.62 112.21 2qry n SER 253 Ca 0.23 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.99 2qry n SER 253 Cb 0.15 -1.49 0.31 0.00 -0.75 0.00 0.00 64.21 62.42 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 2.62 1.97 -2.89 -1.46 5.02 -1.26 -4.13 118.16 118.01 2qry n LYS 254 Ca 0.12 -1.46 -0.19 0.00 -2.02 0.00 0.00 58.31 54.76 2qry n LYS 254 Cb 0.33 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.69 1.92 -0.02 1.97 1.13 -1.26 -4.97 117.38 116.83 2qry n GLN 255 Ca 0.17 -3.87 -0.12 0.00 -1.94 0.00 0.00 57.00 51.25 2qry n GLN 255 Cb 0.41 -1.80 -0.05 0.00 0.11 0.00 0.00 30.24 28.90 2qry n GLN 255 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2qry h PRO 256 N 2.93 -0.43 -0.32 -1.09 0.11 -1.95 -1.23 132.00 130.02 2qry h PRO 256 Ca 0.09 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.30 2qry h PRO 256 Cb 0.90 0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 2qry h PRO 256 CO 0.63 -0.29 -0.25 1.49 -0.21 0.00 0.00 178.00 179.37 2qry h GLU 257 N -0.45 -0.22 -0.06 1.05 4.81 -1.96 -0.79 114.58 116.97 2qry h GLU 257 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2qry h GLU 257 Cb 0.60 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2qry h GLU 257 CO -0.41 -0.14 0.04 -0.07 -0.73 0.00 0.00 179.01 177.69 2qry h LEU 258 N -0.22 0.07 -0.86 1.64 3.38 -1.94 -0.86 115.31 116.52 2qry h LEU 258 Ca 0.16 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.31 2qry h LEU 258 Cb 0.48 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 2qry h LEU 258 CO -0.45 0.07 0.37 0.00 0.09 0.00 0.00 178.44 178.52 2qry h ALA 259 N 1.01 1.32 0.00 1.53 0.00 -0.64 0.19 119.26 122.67 2qry h ALA 259 Ca 0.02 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2qry h ALA 259 Cb 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qry h ALA 259 CO -0.00 -0.28 -0.63 1.96 0.00 0.00 0.00 179.25 180.30 2qry h GLN 260 N 0.43 0.00 0.00 0.00 4.20 -0.72 -1.90 115.11 117.12 2qry h GLN 260 Ca 0.51 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.12 2qry h GLN 260 Cb 0.91 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2qry h GLN 260 CO -0.49 0.63 -0.49 0.87 -0.67 0.00 0.00 178.83 178.68 2qry h LYS 261 N 0.00 0.00 -0.06 1.46 1.57 0.68 -2.04 116.57 118.19 2qry h LYS 261 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2qry h LYS 261 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 2qry h LYS 261 CO 0.08 0.49 -0.88 0.35 -0.57 0.00 0.00 179.45 178.92 2qry h PHE 262 N 0.00 0.85 -0.38 -1.35 3.04 -0.47 -1.98 116.94 116.65 2qry h PHE 262 Ca -0.00 -0.42 -0.12 0.00 3.98 0.00 0.00 57.97 61.40 2qry h PHE 262 Cb 1.05 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 2qry h PHE 262 CO 0.00 1.24 -0.24 -0.07 -2.02 0.00 0.00 178.31 177.22 2qry h LEU 263 N 0.38 0.79 -0.16 0.59 3.38 -1.17 -3.12 115.31 116.00 2qry h LEU 263 Ca -0.08 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 2qry h LEU 263 Cb 1.51 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2qry h LEU 263 CO 0.17 1.00 -0.32 -0.61 0.09 0.00 0.00 178.44 178.77 2qry h GLN 264 N 0.67 0.50 -2.05 1.13 5.75 -1.40 -3.23 115.11 116.49 2qry h GLN 264 Ca 0.09 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2qry h GLN 264 Cb 0.76 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.35 2qry h GLN 264 CO 0.06 0.93 0.02 0.34 -2.65 0.00 0.00 178.83 177.53 2qry n PHE 265 N -4.36 0.00 0.00 3.99 -0.00 -0.74 -3.42 117.46 112.93 2qry n PHE 265 Ca -0.06 -0.19 0.00 0.00 -0.00 0.00 0.00 57.45 57.19 2qry n PHE 265 Cb 0.48 -0.32 0.00 0.00 -0.00 0.00 0.00 39.48 39.65 2qry n PHE 265 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2qry n VAL 267 N 1.96 0.00 -3.19 -2.13 0.24 -1.22 -4.14 118.33 109.85 2qry n VAL 267 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 2qry n VAL 267 Cb 0.10 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.47 2qry n VAL 267 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2qry s SER 268 N 0.00 5.60 0.22 -1.34 1.04 -1.22 -4.73 113.70 113.27 2qry s SER 268 Ca 0.00 -0.44 -0.08 0.00 0.48 0.00 0.00 55.95 55.91 2qry s SER 268 Cb 0.00 -0.74 0.25 0.00 0.10 0.00 0.00 66.02 65.63 2qry s SER 268 CO 0.00 -0.68 1.84 -0.65 0.98 0.00 0.00 173.24 174.73 2qry h PRO 269 N 0.76 0.85 -0.58 4.02 0.11 -1.95 -0.48 132.00 134.72 2qry h PRO 269 Ca -0.41 -0.05 0.15 0.00 0.11 0.00 0.00 66.00 65.80 2qry h PRO 269 Cb 1.27 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2qry h PRO 269 CO 0.48 0.56 0.41 0.00 -0.21 0.00 0.00 178.00 179.25 2qry h ALA 270 N 1.34 2.41 0.00 -0.75 0.00 -1.96 0.10 119.26 120.41 2qry h ALA 270 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qry h ALA 270 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qry h ALA 270 CO -0.14 -0.58 -0.12 0.35 0.00 0.00 0.00 179.25 178.76 2qry h PHE 271 N 0.10 0.00 -1.14 0.00 3.57 -1.61 -3.40 116.94 114.46 2qry h PHE 271 Ca 0.28 0.00 0.37 0.00 3.53 0.00 0.00 57.97 62.15 2qry h PHE 271 Cb 0.97 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.58 2qry h PHE 271 CO -0.00 0.00 0.70 1.96 -2.23 0.00 0.00 178.31 178.74 2qry h GLN 272 N -0.33 0.19 0.00 1.11 1.08 -1.01 0.26 115.11 116.41 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 0.12 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2qry h GLN 272 CO 0.00 0.13 0.00 -0.91 -0.95 0.00 0.00 178.83 177.10 2qry h ASN 273 N 0.20 0.00 -0.01 1.46 2.35 -1.00 -1.35 115.58 117.24 2qry h ASN 273 Ca 0.76 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.51 2qry h ASN 273 Cb 2.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.46 2qry h ASN 273 CO -0.50 0.00 -0.74 0.00 -1.65 0.00 0.00 177.43 174.54 2qry n ALA 274 N -1.96 4.17 0.00 -0.83 0.00 0.90 -4.52 120.51 118.28 2qry n ALA 274 Ca -0.02 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 2qry n ALA 274 Cb 0.08 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 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 1.14 1.29 -0.43 0.00 1.08 -1.27 -0.72 117.51 118.60 2qry h ILE 275 Ca 0.00 -1.02 0.08 0.00 -0.39 0.00 0.00 64.86 63.52 2qry h ILE 275 Cb 0.61 1.97 -0.09 0.00 -3.07 0.00 0.00 36.82 36.24 2qry h ILE 275 CO 0.00 0.26 -0.40 -0.65 -0.69 0.00 0.00 178.15 176.67 2qry h PRO 276 N -0.49 -0.28 -0.02 2.37 0.11 -1.79 0.78 132.00 132.67 2qry h PRO 276 Ca -0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2qry h PRO 276 Cb 0.45 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2qry h PRO 276 CO 0.01 -0.19 -0.08 0.25 -0.21 0.00 0.00 178.00 177.78 2qry n THR 277 N -5.42 0.00 -0.13 -1.15 -2.24 -1.25 -2.53 114.28 101.56 2qry n THR 277 Ca 0.00 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 2qry n THR 277 Cb 0.35 0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.29 -0.50 0.00 3.38 0.00 -0.27 -4.68 105.19 104.41 2qry n GLY 278 Ca 0.15 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.30 0.81 -3.01 1.61 4.05 0.20 -3.61 115.26 111.01 2qry n ASN 279 Ca -0.47 -0.89 -0.14 0.00 0.45 0.00 0.00 54.58 53.53 2qry n ASN 279 Cb 0.82 1.01 0.02 0.00 1.23 0.00 0.00 39.78 42.85 2qry n ASN 279 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 2qry n TRP 280 N -1.41 -3.20 -3.94 1.20 7.02 -0.81 -5.02 117.44 111.28 2qry n TRP 280 Ca 0.03 1.32 -0.35 0.00 -1.02 0.00 0.00 57.50 57.48 2qry n TRP 280 Cb 0.27 -3.37 -0.09 0.00 -2.42 0.00 0.00 31.31 25.70 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 -2.13 3.30 0.87 -5.99 2.02 0.03 -4.63 117.35 110.81 2qry s TYR 282 Ca 0.24 0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.99 2qry s TYR 282 Cb -0.05 -2.09 0.12 0.00 -0.40 0.00 0.00 41.96 39.54 2qry s TYR 282 CO 0.76 0.21 1.12 -2.14 -1.57 0.00 0.00 175.55 173.93 2qry s PRO 283 N 0.30 1.41 0.09 -1.71 0.02 -1.26 -0.83 135.00 133.02 2qry s PRO 283 Ca 0.05 1.39 0.23 0.00 0.02 0.00 0.00 61.00 62.68 2qry s PRO 283 Cb -0.12 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 2qry s PRO 283 CO -0.00 -2.30 0.95 1.55 -0.33 0.00 0.00 177.00 176.86 2qry n VAL 284 N -4.00 0.31 -4.13 3.83 3.14 -1.25 -4.72 118.33 111.52 2qry n VAL 284 Ca 0.11 -0.40 -0.30 0.00 -2.96 0.00 0.00 64.34 60.78 2qry n VAL 284 Cb 0.52 -0.04 -0.08 0.00 -1.06 0.00 0.00 33.84 33.19 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 -3.31 3.33 -0.66 1.55 0.00 -1.26 -0.81 121.76 120.60 2qry s ALA 285 Ca 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 2qry s ALA 285 Cb 0.13 -1.23 -0.08 0.00 0.00 0.00 0.00 23.12 21.93 2qry s ALA 285 CO 0.81 0.71 1.83 0.09 0.00 0.00 0.00 175.76 179.20 2qry n ASN 286 N 0.59 3.27 -4.81 0.00 4.13 -1.26 -4.88 115.26 112.31 2qry n ASN 286 Ca -0.11 -2.35 -0.25 0.00 1.68 0.00 0.00 54.58 53.56 2qry n ASN 286 Cb 0.52 -0.95 0.08 0.00 -1.54 0.00 0.00 39.78 37.89 2qry n ASN 286 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2qry s VAL 287 N 4.25 2.31 -0.17 2.41 0.11 -1.26 -5.04 120.40 123.01 2qry s VAL 287 Ca 0.37 -0.41 -0.23 0.00 -2.93 0.00 0.00 61.98 58.78 2qry s VAL 287 Cb 0.09 -2.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.02 2qry s VAL 287 CO 0.03 0.00 0.72 0.42 -3.33 0.00 0.00 175.10 172.94 2qry s THR 288 N -3.17 4.97 0.30 5.04 -4.23 -1.26 -5.04 115.64 112.25 2qry s THR 288 Ca 0.62 1.40 -0.28 0.00 -1.18 0.00 0.00 61.69 62.25 2qry s THR 288 Cb -0.09 -4.04 -0.09 0.00 1.34 0.00 0.00 72.50 69.62 2qry s THR 288 CO 0.44 0.09 1.05 -0.76 -0.54 0.00 0.00 174.62 174.91 2qry s LEU 289 N 1.87 4.47 0.51 4.79 1.43 -1.26 -4.99 118.68 125.49 2qry s LEU 289 Ca 0.34 2.15 -0.23 0.00 -1.03 0.00 0.00 54.13 55.35 2qry s LEU 289 Cb -0.16 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.23 2qry s LEU 289 CO 0.12 -0.16 1.36 -2.84 0.23 0.00 0.00 176.35 175.06 2qry s PRO 290 N -1.66 3.37 0.31 1.29 0.02 -1.26 -4.91 135.00 132.17 2qry s PRO 290 Ca 0.47 2.26 -0.30 0.00 0.02 0.00 0.00 61.00 63.45 2qry s PRO 290 Cb -0.28 -2.40 -0.11 0.00 0.02 0.00 0.00 34.50 31.72 2qry s PRO 290 CO 0.36 -1.01 1.56 0.00 -0.33 0.00 0.00 177.00 177.58 2qry s ALA 291 N -1.29 3.70 0.00 -1.55 0.00 -1.26 -2.24 121.76 119.12 2qry s ALA 291 Ca 0.67 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.20 2qry s ALA 291 Cb -0.41 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.08 2qry s ALA 291 CO 0.49 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2qry n GLY 292 N 1.76 2.06 0.26 0.00 0.00 -1.26 -4.91 105.19 103.09 2qry n GLY 292 Ca 0.06 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.81 -1.89 116.94 113.85 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 0.12 0.00 -0.85 -1.61 0.00 0.00 178.31 175.97 2qry n GLU 294 N -3.81 0.07 0.04 1.51 0.00 -1.26 -1.15 120.64 116.04 2qry n GLU 294 Ca -0.02 0.37 0.13 0.00 0.00 0.00 0.00 57.16 57.64 2qry n GLU 294 Cb 0.22 -1.66 0.45 0.00 0.00 0.00 0.00 31.44 30.46 2qry n GLU 294 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qry n LYS 295 N -1.80 0.12 -1.84 3.44 5.02 -0.71 -4.87 118.16 117.53 2qry n LYS 295 Ca 0.02 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 2qry n LYS 295 Cb 0.16 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2qry n LYS 295 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qry s LEU 296 N -3.67 3.24 -0.19 -0.35 1.43 -0.30 -5.06 118.68 113.77 2qry s LEU 296 Ca 0.12 1.47 -0.06 0.00 -1.03 0.00 0.00 54.13 54.63 2qry s LEU 296 Cb 0.16 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 2qry s LEU 296 CO 0.59 -0.97 0.03 -0.89 0.23 0.00 0.00 176.35 175.35 2qry s THR 297 N -3.12 4.34 -0.31 5.49 2.01 -1.26 -5.07 115.64 117.72 2qry s THR 297 Ca 0.56 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.15 2qry s THR 297 Cb -0.12 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.43 2qry s THR 297 CO 0.53 0.44 0.73 -0.54 -0.69 0.00 0.00 174.62 175.08 2qry s LYS 298 N 0.73 3.91 0.29 4.92 -0.14 -1.26 -4.96 119.74 123.24 2qry s LYS 298 Ca 0.02 0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 54.78 2qry s LYS 298 Cb -0.14 -3.74 -0.11 0.00 -1.68 0.00 0.00 37.83 32.17 2qry s LYS 298 CO 0.02 -0.66 1.54 -1.25 -0.76 0.00 0.00 175.35 174.24 2qry s PRO 299 N 2.84 4.16 0.01 -1.68 0.04 -1.26 -4.92 135.00 134.19 2qry s PRO 299 Ca 0.30 2.50 -0.06 0.00 0.04 0.00 0.00 61.00 63.78 2qry s PRO 299 Cb -0.14 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2qry s PRO 299 CO 0.13 -0.56 1.06 0.00 0.04 0.00 0.00 177.00 177.67 2qry h ALA 300 N 4.70 -1.03 -2.54 8.56 0.00 -1.95 -3.43 119.26 123.57 2qry h ALA 300 Ca -0.47 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 53.85 2qry h ALA 300 Cb 1.22 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2qry h ALA 300 CO 0.77 -1.02 0.26 0.99 0.00 0.00 0.00 179.25 180.25 2qry s THR 301 N -3.40 4.87 -0.10 0.00 2.01 -1.26 -5.04 115.64 112.73 2qry s THR 301 Ca -0.03 1.83 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 2qry s THR 301 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2qry s THR 301 CO 0.09 0.23 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.33 2qry s THR 302 N 0.72 4.06 -0.04 -0.82 2.01 -1.26 -1.76 115.64 118.55 2qry s THR 302 Ca 0.46 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.18 2qry s THR 302 Cb -0.20 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 2qry s THR 302 CO 0.25 0.58 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.77 2qry s LEU 303 N -0.60 2.23 -0.22 4.42 1.43 0.12 -4.90 118.68 121.15 2qry s LEU 303 Ca 0.10 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.51 2qry s LEU 303 Cb -0.12 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.77 2qry s LEU 303 CO 0.02 0.29 0.77 -0.70 0.23 0.00 0.00 176.35 176.96 2qry s GLU 304 N -0.44 0.82 0.22 1.70 2.12 -1.26 -0.93 118.70 120.94 2qry s GLU 304 Ca 0.05 0.76 0.04 0.00 0.36 0.00 0.00 54.97 56.18 2qry s GLU 304 Cb -0.12 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.64 2qry s GLU 304 CO 0.01 -0.14 0.35 -0.06 -0.54 0.00 0.00 175.26 174.88 2qry s PHE 305 N -0.02 3.46 0.52 5.30 0.40 -1.26 -5.09 117.98 121.29 2qry s PHE 305 Ca -0.02 0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.19 2qry s PHE 305 Cb -0.04 -1.61 -0.08 0.00 0.51 0.00 0.00 43.02 41.80 2qry s PHE 305 CO 0.02 0.44 0.98 0.95 0.70 0.00 0.00 175.22 178.31 2qry s THR 306 N -1.94 4.55 0.46 0.64 -4.23 -1.26 -4.91 115.64 108.95 2qry s THR 306 Ca 0.34 1.19 0.19 0.00 -1.18 0.00 0.00 61.69 62.24 2qry s THR 306 Cb -0.10 -3.73 0.37 0.00 1.34 0.00 0.00 72.50 70.39 2qry s THR 306 CO 0.29 -0.71 1.95 -0.65 -0.54 0.00 0.00 174.62 174.96 2qry h PRO 307 N 0.86 0.27 -0.37 3.99 0.11 -1.91 -1.18 132.00 133.77 2qry h PRO 307 Ca -0.47 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2qry h PRO 307 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2qry h PRO 307 CO 0.62 0.18 -0.17 0.00 -0.21 0.00 0.00 178.00 178.41 2qry h ALA 308 N 1.67 0.52 -0.67 -0.75 0.00 -1.94 -2.61 119.26 115.48 2qry h ALA 308 Ca 0.33 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2qry h ALA 308 Cb 0.91 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2qry h ALA 308 CO -0.08 0.45 0.23 0.93 0.00 0.00 0.00 179.25 180.78 2qry h GLU 309 N 0.56 1.01 -0.07 0.00 5.08 -1.59 -1.96 114.58 117.61 2qry h GLU 309 Ca 0.08 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2qry h GLU 309 Cb 0.71 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2qry h GLU 309 CO 0.05 0.85 -0.16 -0.39 -1.00 0.00 0.00 179.01 178.36 2qry h VAL 310 N 0.98 1.42 -0.70 3.13 -1.51 -1.46 -2.80 116.25 115.30 2qry h VAL 310 Ca 0.22 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 2qry h VAL 310 Cb 0.25 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 2qry h VAL 310 CO -0.01 0.42 0.45 0.00 -1.23 0.00 0.00 177.57 177.20 2qry h ALA 311 N 0.47 1.47 0.00 5.19 0.00 -1.43 0.64 119.26 125.61 2qry h ALA 311 Ca -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2qry h ALA 311 Cb 0.76 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2qry h ALA 311 CO 0.04 0.48 -0.39 0.00 0.00 0.00 0.00 179.25 179.38 2qry h ALA 312 N 1.54 1.04 0.00 0.00 0.00 -1.37 -3.36 119.26 117.11 2qry h ALA 312 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qry h ALA 312 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2qry h ALA 312 CO -0.05 0.48 0.00 1.04 0.00 0.00 0.00 179.25 180.72 2qry n GLN 313 N -3.62 0.91 0.11 0.00 6.02 -0.91 -4.81 117.38 115.09 2qry n GLN 313 Ca -0.01 -0.27 0.05 0.00 -0.01 0.00 0.00 57.00 56.77 2qry n GLN 313 Cb 0.50 -0.73 0.49 0.00 1.02 0.00 0.00 30.24 31.51 2qry n GLN 313 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2qry h ARG 314 N 0.00 0.30 -0.43 -1.09 0.11 0.12 -1.78 114.38 111.61 2qry h ARG 314 Ca 0.00 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.96 2qry h ARG 314 Cb 0.09 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2qry h ARG 314 CO 0.00 0.24 -0.10 1.96 0.10 0.00 0.00 179.97 182.17 2qry h GLN 315 N 0.30 0.82 -0.24 0.08 1.08 -1.84 -0.41 115.11 114.91 2qry h GLN 315 Ca 0.08 -0.31 -0.16 0.00 -1.45 0.00 0.00 58.65 56.80 2qry h GLN 315 Cb 0.04 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2qry h GLN 315 CO -0.01 0.94 -0.51 0.00 -0.95 0.00 0.00 178.83 178.29 2qry h ALA 316 N 0.86 0.65 -0.28 3.87 0.00 -1.82 -1.42 119.26 121.12 2qry h ALA 316 Ca 0.11 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2qry h ALA 316 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qry h ALA 316 CO 0.04 0.68 -0.35 -1.49 0.00 0.00 0.00 179.25 178.13 2qry h TRP 317 N 0.53 0.72 -0.36 0.00 6.55 -1.23 -1.69 115.95 120.47 2qry h TRP 317 Ca 0.02 -0.19 -0.17 0.00 0.95 0.00 0.00 58.89 59.50 2qry h TRP 317 Cb 1.07 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 29.20 2qry h TRP 317 CO 0.05 0.88 -0.43 0.82 -1.05 0.00 0.00 178.44 178.72 2qry h ILE 318 N 0.52 1.27 -0.77 1.49 2.04 -1.03 -1.33 117.51 119.71 2qry h ILE 318 Ca 0.05 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.31 2qry h ILE 318 Cb 0.85 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 2qry h ILE 318 CO 0.07 0.53 0.48 -1.28 0.00 0.00 0.00 178.15 177.96 2qry h SER 319 N 0.73 0.91 -0.33 1.72 0.87 -1.05 -0.50 113.55 115.90 2qry h SER 319 Ca 0.05 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2qry h SER 319 Cb 1.02 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2qry h SER 319 CO 0.10 0.69 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.65 2qry h GLU 320 N 1.05 0.65 0.05 2.24 5.08 -1.24 -2.73 114.58 119.68 2qry h GLU 320 Ca 0.28 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2qry h GLU 320 Cb -0.07 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2qry h GLU 320 CO -0.06 0.84 -0.24 2.35 -1.00 0.00 0.00 179.01 180.90 2qry h TRP 321 N 0.42 -0.65 -0.37 4.33 7.01 -0.70 -1.14 115.95 124.85 2qry h TRP 321 Ca 0.08 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 2qry h TRP 321 Cb 0.62 0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.94 2qry h TRP 321 CO 0.05 -0.34 0.09 -0.56 -2.79 0.00 0.00 178.44 174.89 2qry h GLN 322 N -0.41 0.54 -0.38 2.65 -0.00 -1.12 -1.44 115.11 114.95 2qry h GLN 322 Ca 0.05 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.65 58.48 2qry h GLN 322 Cb 0.47 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.84 2qry h GLN 322 CO -0.19 0.50 -0.29 -0.09 -0.00 0.00 0.00 178.83 178.77 2qry h ARG 323 N 0.53 0.82 -0.00 0.06 2.43 -1.17 -2.85 114.38 114.21 2qry h ARG 323 Ca 0.12 -0.37 -0.15 0.00 -0.81 0.00 0.00 59.98 58.77 2qry h ARG 323 Cb 0.21 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2qry h ARG 323 CO -0.00 1.01 -0.70 0.00 -1.51 0.00 0.00 179.97 178.77 2qry h ALA 324 N 0.97 0.84 -0.08 2.80 0.00 -0.52 -3.31 119.26 119.96 2qry h ALA 324 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2qry h ALA 324 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2qry h ALA 324 CO 0.07 0.86 0.00 1.33 0.00 0.00 0.00 179.25 181.51 2qry n VAL 325 N -3.72 0.07 0.57 0.00 0.24 -0.61 -4.22 118.33 110.66 2qry n VAL 325 Ca -0.01 -0.53 0.07 0.00 -2.04 0.00 0.00 64.34 61.83 2qry n VAL 325 Cb 0.68 1.42 0.06 0.00 -1.47 0.00 0.00 33.84 34.52 2qry n VAL 325 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49