#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ore s ASN 4 N 0.00 5.09 0.05 -5.58 0.01 -1.26 -5.06 114.94 108.19 2ore s ASN 4 Ca 0.00 2.32 0.09 0.00 -0.71 0.00 0.00 52.86 54.55 2ore s ASN 4 Cb 0.00 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 2ore s ASN 4 CO 0.00 -1.65 -0.23 -0.13 -1.51 0.00 0.00 177.10 173.57 2ore s ARG 5 N -3.50 1.88 0.58 -0.60 0.52 -1.26 -4.89 118.95 111.68 2ore s ARG 5 Ca 0.75 -1.07 -0.17 0.00 -0.52 0.00 0.00 55.73 54.71 2ore s ARG 5 Cb -0.28 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2ore s ARG 5 CO 0.35 0.52 1.09 0.00 0.02 0.00 0.00 175.30 177.28 2ore s ALA 6 N -0.86 2.68 -0.96 2.13 0.00 -1.26 -4.81 121.76 118.68 2ore s ALA 6 Ca 0.13 0.60 0.28 0.00 0.00 0.00 0.00 51.96 52.97 2ore s ALA 6 Cb -0.10 -3.30 1.01 0.00 0.00 0.00 0.00 23.12 20.74 2ore s ALA 6 CO 0.03 -0.82 1.79 1.97 0.00 0.00 0.00 175.76 178.73 2ore n PHE 7 N -1.71 0.12 -4.24 0.00 1.16 -1.26 -4.83 117.46 106.70 2ore n PHE 7 Ca 0.10 0.03 -0.35 0.00 -1.87 0.00 0.00 57.45 55.37 2ore n PHE 7 Cb 0.52 -0.50 -0.08 0.00 -1.61 0.00 0.00 39.48 37.80 2ore n PHE 7 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2ore s LEU 8 N -3.20 3.75 -0.52 5.98 1.43 -1.26 -4.72 118.68 120.13 2ore s LEU 8 Ca 0.13 0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 53.20 2ore s LEU 8 Cb 0.18 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2ore s LEU 8 CO 0.58 0.35 0.69 -0.54 0.23 0.00 0.00 176.35 177.66 2ore s LYS 9 N -1.16 3.16 -0.03 1.70 1.02 -1.26 -4.97 119.74 118.19 2ore s LYS 9 Ca 0.16 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.39 2ore s LYS 9 Cb -0.12 -4.10 -0.00 0.00 -0.52 0.00 0.00 37.83 33.09 2ore s LYS 9 CO 0.06 -1.29 -0.15 -0.46 -0.92 0.00 0.00 175.35 172.58 2ore s TRP 10 N 2.89 1.49 -0.45 3.18 -0.11 -1.26 -4.55 118.94 120.13 2ore s TRP 10 Ca 0.18 -0.39 -0.28 0.00 1.22 0.00 0.00 56.10 56.83 2ore s TRP 10 Cb -0.18 -1.00 -0.02 0.00 -1.50 0.00 0.00 33.47 30.77 2ore s TRP 10 CO 0.13 -0.12 1.80 0.00 -4.62 0.00 0.00 176.95 174.14 2ore s ALA 11 N -0.02 2.58 0.00 5.86 0.00 -1.26 -2.55 121.76 126.36 2ore s ALA 11 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2ore s ALA 11 Cb -0.10 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2ore s ALA 11 CO 0.01 -3.16 0.00 0.41 0.00 0.00 0.00 175.76 173.02 2ore n GLY 12 N 5.51 0.23 3.68 0.00 0.00 -1.26 -5.03 105.19 108.33 2ore n GLY 12 Ca 0.22 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.64 2ore n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ore n GLY 13 N 0.00 0.62 0.36 -0.02 0.00 -1.06 -4.81 105.19 100.28 2ore n GLY 13 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 46.02 47.01 2ore n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ore n LYS 14 N 5.34 1.45 -0.34 1.61 5.02 -1.26 -4.26 118.16 125.73 2ore n LYS 14 Ca 0.30 -0.68 0.21 0.00 -2.02 0.00 0.00 58.31 56.12 2ore n LYS 14 Cb 0.08 -1.16 0.45 0.00 -0.02 0.00 0.00 35.03 34.37 2ore n LYS 14 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2ore h TYR 15 N 1.10 0.87 0.04 2.13 3.20 -1.95 0.50 116.97 122.85 2ore h TYR 15 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2ore h TYR 15 Cb 0.27 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2ore h TYR 15 CO 0.13 0.02 -0.02 -1.35 -1.64 0.00 0.00 178.16 175.30 2ore h PRO 16 N 0.47 -0.05 -0.89 1.82 0.11 -1.98 -3.34 132.00 128.13 2ore h PRO 16 Ca 0.65 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.99 2ore h PRO 16 Cb 1.44 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.50 2ore h PRO 16 CO -0.43 -0.03 0.61 -0.07 -0.21 0.00 0.00 178.00 177.86 2ore h LEU 17 N -0.10 0.24 0.00 2.35 3.38 -1.80 -3.35 115.31 116.03 2ore h LEU 17 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ore h LEU 17 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2ore h LEU 17 CO 0.01 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.81 2ore n LEU 18 N -4.42 0.00 0.06 1.67 4.77 0.17 0.36 117.00 119.61 2ore n LEU 18 Ca 0.19 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2ore n LEU 18 Cb 0.80 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 2ore n LEU 18 CO 0.34 0.00 0.66 0.44 -1.33 0.00 0.00 177.39 177.50 2ore h ASP 19 N 0.00 -0.88 -0.92 -1.43 5.19 -1.86 0.13 116.42 116.65 2ore h ASP 19 Ca 0.00 0.12 0.14 0.00 -0.62 0.00 0.00 57.03 56.66 2ore h ASP 19 Cb 0.00 0.36 -0.07 0.00 0.18 0.00 0.00 39.33 39.79 2ore h ASP 19 CO 0.00 -0.36 0.59 0.44 -3.12 0.00 0.00 179.24 176.79 2ore h ASP 20 N -0.44 0.73 0.06 6.45 3.32 -0.39 -0.45 116.42 125.69 2ore h ASP 20 Ca 0.06 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2ore h ASP 20 Cb 0.53 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2ore h ASP 20 CO -0.25 0.38 -0.03 0.40 -1.72 0.00 0.00 179.24 178.02 2ore h ILE 21 N 0.78 1.18 -0.90 0.35 2.04 -0.92 -2.50 117.51 117.53 2ore h ILE 21 Ca 0.46 -0.81 0.16 0.00 1.00 0.00 0.00 64.86 65.67 2ore h ILE 21 Cb 0.65 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 38.36 2ore h ILE 21 CO -0.22 0.20 0.58 0.11 0.00 0.00 0.00 178.15 178.82 2ore h LYS 22 N -0.44 0.62 -0.18 2.37 1.79 -0.02 0.55 116.57 121.26 2ore h LYS 22 Ca -0.01 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2ore h LYS 22 Cb 0.39 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2ore h LYS 22 CO 0.01 0.41 0.10 0.00 -1.08 0.00 0.00 179.45 178.89 2ore h ARG 23 N 0.63 0.25 -0.01 3.15 2.47 -0.90 -3.13 114.38 116.85 2ore h ARG 23 Ca 0.46 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 2ore h ARG 23 Cb 0.83 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2ore h ARG 23 CO -0.21 0.25 -0.23 0.72 0.56 0.00 0.00 179.97 181.05 2ore n HIS 24 N -4.90 0.00 -2.51 3.04 8.25 -0.53 -4.87 115.22 113.70 2ore n HIS 24 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 2ore n HIS 24 Cb 0.07 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 2ore n HIS 24 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2ore s LEU 25 N -2.35 3.77 0.87 2.41 2.96 0.18 -4.98 118.68 121.54 2ore s LEU 25 Ca 0.26 0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 54.96 2ore s LEU 25 Cb 0.19 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.46 2ore s LEU 25 CO 0.48 -1.15 1.15 -2.84 -1.32 0.00 0.00 176.35 172.67 2ore s PRO 26 N 4.27 1.33 0.14 0.98 0.02 -1.26 -4.94 135.00 135.55 2ore s PRO 26 Ca 0.52 1.54 -0.09 0.00 0.02 0.00 0.00 61.00 62.99 2ore s PRO 26 Cb -0.12 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 2ore s PRO 26 CO 0.25 -2.40 0.46 -1.59 -0.33 0.00 0.00 177.00 173.39 2ore s LYS 27 N -4.57 3.78 -0.03 5.54 0.00 -1.26 -4.97 119.74 118.23 2ore s LYS 27 Ca 0.67 0.20 -0.27 0.00 0.00 0.00 0.00 55.97 56.57 2ore s LYS 27 Cb -0.23 -2.86 0.09 0.00 0.00 0.00 0.00 37.83 34.83 2ore s LYS 27 CO 0.56 0.46 1.24 0.41 0.00 0.00 0.00 175.35 178.02 2ore n GLY 28 N 0.43 0.22 0.06 0.59 0.00 -1.26 -4.95 105.19 100.28 2ore n GLY 28 Ca -0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 2ore n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ore h GLU 29 N 0.00 -0.13 -5.85 1.61 5.08 -1.36 -3.43 114.58 110.50 2ore h GLU 29 Ca -0.20 0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.53 2ore h GLU 29 Cb 1.13 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2ore h GLU 29 CO 0.30 -0.08 -0.43 0.00 -1.00 0.00 0.00 179.01 177.80 2ore s LEU 31 N -1.75 3.73 0.06 0.00 1.98 -0.91 -0.77 118.68 121.01 2ore s LEU 31 Ca 0.26 -1.40 -0.21 0.00 -2.89 0.00 0.00 54.13 49.89 2ore s LEU 31 Cb -0.13 -1.62 -0.06 0.00 0.66 0.00 0.00 46.19 45.04 2ore s LEU 31 CO 0.16 -0.23 0.62 -0.69 -1.89 0.00 0.00 176.35 174.31 2ore s VAL 32 N 1.15 4.75 -0.32 1.68 1.01 -1.09 -2.44 120.40 125.14 2ore s VAL 32 Ca -0.06 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 2ore s VAL 32 Cb -0.20 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 32.33 2ore s VAL 32 CO -0.04 0.49 0.12 -0.70 0.00 0.00 0.00 175.10 174.98 2ore s GLU 33 N -0.74 0.68 0.49 2.72 2.12 -0.06 -1.73 118.70 122.18 2ore s GLU 33 Ca 0.31 -1.09 0.14 0.00 0.36 0.00 0.00 54.97 54.69 2ore s GLU 33 Cb -0.20 -1.88 1.14 0.00 0.26 0.00 0.00 34.13 33.46 2ore s GLU 33 CO 0.20 -1.02 2.09 -1.35 -0.54 0.00 0.00 175.26 174.64 2ore h PRO 34 N 7.97 0.07 -2.23 4.30 0.11 -1.81 0.04 132.00 140.46 2ore h PRO 34 Ca -0.13 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.39 2ore h PRO 34 Cb 1.00 -0.02 -0.41 0.00 0.11 0.00 0.00 31.00 31.69 2ore h PRO 34 CO 0.46 0.10 -0.78 1.19 -0.21 0.00 0.00 178.00 178.76 2ore n PHE 35 N -4.47 2.06 -0.19 0.65 3.01 -1.25 -3.73 117.46 113.54 2ore n PHE 35 Ca -0.02 -3.93 0.09 0.00 1.01 0.00 0.00 57.45 54.60 2ore n PHE 35 Cb 0.13 -0.45 0.38 0.00 -0.01 0.00 0.00 39.48 39.53 2ore n PHE 35 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 2ore h VAL 36 N 3.00 0.95 0.00 -4.37 3.04 -1.19 -3.42 116.25 114.26 2ore h VAL 36 Ca 0.16 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 2ore h VAL 36 Cb 0.75 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2ore h VAL 36 CO 0.68 0.12 0.00 0.61 -1.01 0.00 0.00 177.57 177.97 2ore n GLY 37 N -1.46 3.33 0.01 3.17 0.00 -1.26 -1.76 105.19 107.23 2ore n GLY 37 Ca 0.12 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2ore n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ore n ALA 38 N 10.72 2.11 -0.46 4.61 0.00 -1.26 -4.93 120.51 131.30 2ore n ALA 38 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2ore n ALA 38 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2ore n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ore n GLY 39 N 1.00 0.77 0.18 0.00 0.00 -0.72 -4.67 105.19 101.75 2ore n GLY 39 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2ore n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ore h SER 40 N 0.00 -0.84 0.12 1.61 0.02 -1.92 0.14 113.55 112.68 2ore h SER 40 Ca 0.00 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2ore h SER 40 Cb 0.00 0.36 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2ore h SER 40 CO 0.00 -0.13 -0.37 0.58 -1.14 0.00 0.00 176.83 175.77 2ore h VAL 41 N -0.08 0.23 -0.67 2.27 2.07 -1.92 -1.62 116.25 116.52 2ore h VAL 41 Ca 0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.71 2ore h VAL 41 Cb 0.21 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.09 2ore h VAL 41 CO -0.32 0.00 0.07 0.15 0.02 0.00 0.00 177.57 177.49 2ore h PHE 42 N -0.61 0.09 0.00 1.57 3.57 -1.89 0.50 116.94 120.17 2ore h PHE 42 Ca 0.03 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2ore h PHE 42 Cb 0.64 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2ore h PHE 42 CO -0.33 -0.14 0.00 1.28 -2.23 0.00 0.00 178.31 176.89 2ore n LEU 43 N -5.23 0.00 -1.05 0.59 4.77 0.46 -3.31 117.00 113.22 2ore n LEU 43 Ca 0.11 0.42 0.04 0.00 -0.03 0.00 0.00 56.01 56.55 2ore n LEU 43 Cb 0.40 -0.42 0.12 0.00 -2.33 0.00 0.00 43.42 41.20 2ore n LEU 43 CO 0.11 -0.21 0.23 0.59 -1.33 0.00 0.00 177.39 176.78 2ore n ASN 44 N -1.42 1.52 -4.12 -1.43 3.02 0.17 -4.64 115.26 108.36 2ore n ASN 44 Ca 0.05 -3.10 -0.10 0.00 -0.03 0.00 0.00 54.58 51.40 2ore n ASN 44 Cb 0.15 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 2ore n ASN 44 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ore s THR 45 N -2.00 0.09 -0.53 3.41 -4.23 -0.83 -4.98 115.64 106.57 2ore s THR 45 Ca 0.37 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2ore s THR 45 Cb 0.38 -2.04 0.16 0.00 1.34 0.00 0.00 72.50 72.33 2ore s THR 45 CO -0.11 -0.41 0.36 -1.81 -0.54 0.00 0.00 174.62 172.12 2ore s ASP 46 N -3.04 3.43 0.20 3.99 -0.00 -1.26 -4.97 116.67 115.02 2ore s ASP 46 Ca 0.24 -3.22 0.04 0.00 -0.00 0.00 0.00 52.55 49.61 2ore s ASP 46 Cb 0.07 -1.09 -0.03 0.00 -0.00 0.00 0.00 42.92 41.86 2ore s ASP 46 CO 0.02 -0.17 0.28 -0.36 -0.00 0.00 0.00 175.17 174.94 2ore s PHE 47 N -0.42 3.37 0.29 4.23 0.40 -1.26 -5.01 117.98 119.58 2ore s PHE 47 Ca 0.25 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 2ore s PHE 47 Cb -0.09 -1.57 0.44 0.00 0.51 0.00 0.00 43.02 42.31 2ore s PHE 47 CO -0.12 0.49 1.81 0.66 0.70 0.00 0.00 175.22 178.76 2ore h SER 48 N 1.74 0.66 -5.12 1.36 4.64 -1.73 -3.46 113.55 111.64 2ore h SER 48 Ca -0.50 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 60.62 2ore h SER 48 Cb 1.21 -0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 63.00 2ore h SER 48 CO 0.64 0.72 -0.17 0.00 -0.87 0.00 0.00 176.83 177.15 2ore s ARG 49 N -5.00 1.06 0.15 4.77 1.70 -1.21 -4.89 118.95 115.53 2ore s ARG 49 Ca -0.09 -0.85 0.05 0.00 -0.47 0.00 0.00 55.73 54.37 2ore s ARG 49 Cb 0.15 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2ore s ARG 49 CO 0.79 -0.40 -0.11 0.71 -1.08 0.00 0.00 175.30 175.22 2ore s TYR 50 N -3.85 1.31 -0.31 5.89 1.51 0.24 -2.14 117.35 120.01 2ore s TYR 50 Ca 0.06 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 2ore s TYR 50 Cb 0.03 -0.66 0.10 0.00 -0.11 0.00 0.00 41.96 41.31 2ore s TYR 50 CO -0.09 0.11 0.08 0.42 -1.11 0.00 0.00 175.55 174.95 2ore s ILE 51 N -3.29 1.17 -0.26 2.71 1.01 -1.02 -2.43 121.20 119.08 2ore s ILE 51 Ca 0.17 -1.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.20 2ore s ILE 51 Cb 0.02 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2ore s ILE 51 CO 0.01 -0.61 0.12 -0.76 0.00 0.00 0.00 174.94 173.70 2ore s LEU 52 N 1.48 3.70 0.35 2.97 1.43 0.52 -0.88 118.68 128.25 2ore s LEU 52 Ca 0.09 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 2ore s LEU 52 Cb -0.18 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 2ore s LEU 52 CO -0.20 -0.05 -0.04 0.00 0.23 0.00 0.00 176.35 176.29 2ore s ALA 53 N 1.67 2.86 -0.26 4.21 0.00 -0.00 -0.81 121.76 129.43 2ore s ALA 53 Ca 0.07 -2.13 -0.29 0.00 0.00 0.00 0.00 51.96 49.61 2ore s ALA 53 Cb -0.16 0.14 0.18 0.00 0.00 0.00 0.00 23.12 23.28 2ore s ALA 53 CO 0.07 -0.05 1.29 0.34 0.00 0.00 0.00 175.76 177.40 2ore s ASP 54 N -3.60 -0.12 0.31 0.00 -1.08 -0.86 -1.24 116.67 110.08 2ore s ASP 54 Ca 0.33 0.15 0.10 0.00 -0.52 0.00 0.00 52.55 52.62 2ore s ASP 54 Cb 0.06 0.13 0.51 0.00 -1.46 0.00 0.00 42.92 42.15 2ore s ASP 54 CO 0.16 -0.10 1.71 -0.29 0.52 0.00 0.00 175.17 177.17 2ore h ILE 55 N 2.36 1.35 -2.84 4.11 6.09 -1.84 -2.70 117.51 124.04 2ore h ILE 55 Ca -0.14 -1.69 -0.57 0.00 -1.37 0.00 0.00 64.86 61.10 2ore h ILE 55 Cb 1.18 1.89 -0.03 0.00 0.47 0.00 0.00 36.82 40.33 2ore h ILE 55 CO 0.23 0.49 1.14 0.21 -3.07 0.00 0.00 178.15 177.15 2ore s ASN 56 N -6.89 6.29 0.20 2.19 3.84 -1.26 -4.76 114.94 114.54 2ore s ASN 56 Ca -0.03 1.42 0.03 0.00 0.21 0.00 0.00 52.86 54.49 2ore s ASN 56 Cb 0.13 -2.53 0.11 0.00 -0.55 0.00 0.00 41.25 38.41 2ore s ASN 56 CO 0.75 -1.37 1.46 0.77 -2.79 0.00 0.00 177.10 175.92 2ore h SER 57 N 11.10 0.27 -0.74 -4.21 4.64 -1.97 -2.30 113.55 120.33 2ore h SER 57 Ca -0.32 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 2ore h SER 57 Cb 1.15 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 2ore h SER 57 CO 1.02 0.92 0.41 0.44 -0.87 0.00 0.00 176.83 178.75 2ore h ASP 58 N 0.14 0.93 0.10 4.97 3.45 -1.99 0.11 116.42 124.13 2ore h ASP 58 Ca -0.03 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 2ore h ASP 58 Cb 1.32 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2ore h ASP 58 CO 0.12 0.76 -0.05 0.25 -1.57 0.00 0.00 179.24 178.74 2ore h LEU 59 N 1.02 -0.11 -0.29 1.55 5.85 -1.94 -1.11 115.31 120.29 2ore h LEU 59 Ca 0.26 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2ore h LEU 59 Cb 0.03 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2ore h LEU 59 CO -0.04 0.04 0.05 0.40 -0.34 0.00 0.00 178.44 178.55 2ore h ILE 60 N -0.26 1.23 -0.31 4.05 1.08 -1.29 -2.24 117.51 119.77 2ore h ILE 60 Ca -0.01 -0.78 0.06 0.00 -0.39 0.00 0.00 64.86 63.74 2ore h ILE 60 Cb 0.22 1.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.09 2ore h ILE 60 CO 0.02 0.26 -0.10 -1.28 -0.69 0.00 0.00 178.15 176.36 2ore h SER 61 N 0.30 -0.35 -0.30 1.72 0.87 -0.73 -0.62 113.55 114.45 2ore h SER 61 Ca 0.09 0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 2ore h SER 61 Cb 0.33 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.44 2ore h SER 61 CO 0.00 -0.13 -0.21 0.25 -0.53 0.00 0.00 176.83 176.22 2ore h LEU 62 N -0.03 -0.69 -0.60 2.23 5.85 -1.06 -0.50 115.31 120.50 2ore h LEU 62 Ca 0.15 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.02 2ore h LEU 62 Cb 0.26 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2ore h LEU 62 CO -0.34 -0.25 0.39 1.88 -0.34 0.00 0.00 178.44 179.79 2ore h TYR 63 N -0.19 0.74 -1.00 1.25 0.05 -0.75 0.84 116.97 117.91 2ore h TYR 63 Ca 0.16 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.97 2ore h TYR 63 Cb 0.43 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.87 2ore h TYR 63 CO -0.40 0.46 0.66 -0.91 -1.05 0.00 0.00 178.16 176.92 2ore h ASN 64 N 0.80 1.14 0.23 3.88 2.35 -0.50 0.04 115.58 123.51 2ore h ASN 64 Ca 0.23 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2ore h ASN 64 Cb -0.07 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.02 2ore h ASN 64 CO -0.06 0.82 -0.11 0.40 -1.65 0.00 0.00 177.43 176.83 2ore h ILE 65 N 1.35 0.82 -0.80 2.81 1.08 -0.27 -0.36 117.51 122.14 2ore h ILE 65 Ca 0.37 -0.27 0.08 0.00 -0.39 0.00 0.00 64.86 64.65 2ore h ILE 65 Cb -0.14 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.54 2ore h ILE 65 CO -0.08 0.06 0.52 0.58 -0.69 0.00 0.00 178.15 178.54 2ore h VAL 66 N -0.44 0.98 0.64 1.67 2.07 -0.47 0.32 116.25 121.02 2ore h VAL 66 Ca -0.03 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2ore h VAL 66 Cb 0.33 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2ore h VAL 66 CO 0.05 0.14 -0.31 0.50 0.02 0.00 0.00 177.57 177.98 2ore h LYS 67 N 0.79 -0.83 0.00 1.57 3.64 -0.65 -2.71 116.57 118.39 2ore h LYS 67 Ca 0.36 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2ore h LYS 67 Cb 0.36 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2ore h LYS 67 CO -0.14 -0.53 -0.39 -1.33 -2.27 0.00 0.00 179.45 174.80 2ore n MET 68 N -5.35 0.26 -2.32 1.90 2.81 -0.17 -4.11 117.12 110.14 2ore n MET 68 Ca -0.11 0.13 -0.04 0.00 -1.81 0.00 0.00 57.70 55.86 2ore n MET 68 Cb 0.35 -1.72 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 2ore n MET 68 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2ore n ARG 69 N -2.12 1.88 0.00 0.03 1.74 0.11 -5.00 116.66 113.30 2ore n ARG 69 Ca 0.04 -3.42 0.00 0.00 -0.77 0.00 0.00 57.85 53.70 2ore n ARG 69 Cb 0.43 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2ore n ARG 69 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2ore n THR 70 N -0.49 0.00 -0.02 0.55 -1.04 -1.02 -1.08 114.28 111.19 2ore n THR 70 Ca 0.16 1.25 -0.09 0.00 -2.04 0.00 0.00 64.05 63.33 2ore n THR 70 Cb 0.88 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.63 2ore n THR 70 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2ore h ASP 71 N 0.00 -0.50 -0.72 8.00 3.45 -1.94 -1.11 116.42 123.60 2ore h ASP 71 Ca 0.00 0.10 0.15 0.00 0.43 0.00 0.00 57.03 57.70 2ore h ASP 71 Cb 0.00 0.24 -0.13 0.00 -0.56 0.00 0.00 39.33 38.88 2ore h ASP 71 CO 0.00 -0.20 -0.14 -0.08 -1.57 0.00 0.00 179.24 177.24 2ore h GLU 72 N -0.18 0.02 0.00 3.56 4.81 -1.93 -2.62 114.58 118.24 2ore h GLU 72 Ca 0.11 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2ore h GLU 72 Cb 0.34 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2ore h GLU 72 CO -0.27 0.01 0.00 0.98 -0.73 0.00 0.00 179.01 179.00 2ore n TYR 73 N -5.45 0.00 -0.25 0.92 9.36 -0.24 -2.82 117.16 118.67 2ore n TYR 73 Ca 0.10 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.52 2ore n TYR 73 Cb 0.39 -0.38 0.37 0.00 -0.63 0.00 0.00 39.34 39.08 2ore n TYR 73 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2ore n VAL 74 N -1.65 -0.32 0.35 2.97 0.31 -0.52 0.35 118.33 119.81 2ore n VAL 74 Ca 0.00 1.61 -0.17 0.00 -0.01 0.00 0.00 64.34 65.77 2ore n VAL 74 Cb 0.00 -2.51 -0.08 0.00 -0.91 0.00 0.00 33.84 30.33 2ore n VAL 74 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2ore h GLN 75 N 0.00 -0.84 -0.74 5.55 7.50 -1.49 -1.79 115.11 123.29 2ore h GLN 75 Ca 0.59 0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.76 2ore h GLN 75 Cb 1.45 0.19 -0.03 0.00 0.05 0.00 0.00 27.48 29.14 2ore h GLN 75 CO -0.64 -0.53 0.32 0.00 -1.50 0.00 0.00 178.83 176.48 2ore h ALA 76 N -0.75 1.16 -0.60 3.87 0.00 0.06 -2.84 119.26 120.15 2ore h ALA 76 Ca -0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2ore h ALA 76 Cb 0.71 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2ore h ALA 76 CO 0.15 0.62 0.17 0.00 0.00 0.00 0.00 179.25 180.19 2ore h ALA 77 N 1.28 0.79 0.00 0.00 0.00 -0.76 -2.89 119.26 117.68 2ore h ALA 77 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ore h ALA 77 Cb 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ore h ALA 77 CO -0.03 0.47 -0.07 -0.09 0.00 0.00 0.00 179.25 179.54 2ore h ARG 78 N 0.86 0.00 0.00 0.00 2.43 -1.08 -1.92 114.38 114.67 2ore h ARG 78 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2ore h ARG 78 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2ore h ARG 78 CO -0.00 0.07 0.00 0.93 -1.51 0.00 0.00 179.97 179.46 2ore h GLU 79 N 0.00 0.00 0.00 0.20 5.08 -1.42 -2.30 114.58 116.14 2ore h GLU 79 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2ore h GLU 79 Cb 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2ore h GLU 79 CO 0.01 0.00 -1.55 -0.07 -1.00 0.00 0.00 179.01 176.40 2ore h LEU 80 N 0.00 0.00 -7.86 1.33 3.38 -1.47 -3.41 115.31 107.28 2ore h LEU 80 Ca 0.00 -0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.28 2ore h LEU 80 Cb 0.27 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2ore h LEU 80 CO 0.00 1.00 2.07 -0.36 0.09 0.00 0.00 178.44 181.24 2ore s PHE 81 N -2.62 2.85 0.35 1.13 0.40 -0.87 -4.61 117.98 114.60 2ore s PHE 81 Ca -0.03 -1.64 0.03 0.00 -0.60 0.00 0.00 56.93 54.68 2ore s PHE 81 Cb 0.08 -4.70 -0.01 0.00 0.51 0.00 0.00 43.02 38.90 2ore s PHE 81 CO 0.82 -1.77 0.38 0.14 0.70 0.00 0.00 175.22 175.50 2ore s VAL 82 N 3.96 0.00 0.11 -0.44 -7.23 -1.26 -5.01 120.40 110.53 2ore s VAL 82 Ca 0.52 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.80 2ore s VAL 82 Cb 0.03 -2.59 -0.20 0.00 0.56 0.00 0.00 36.38 34.18 2ore s VAL 82 CO 0.06 0.00 1.26 -0.65 -0.31 0.00 0.00 175.10 175.46 2ore h PRO 83 N 2.10 0.58 -0.81 4.82 0.11 -1.97 -3.23 132.00 133.59 2ore h PRO 83 Ca -0.26 -0.60 0.23 0.00 0.11 0.00 0.00 66.00 65.48 2ore h PRO 83 Cb 1.23 0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 2ore h PRO 83 CO 0.37 1.21 0.80 0.93 -0.21 0.00 0.00 178.00 181.11 2ore h GLU 84 N 0.34 0.00 -0.53 1.05 3.07 -1.97 0.49 114.58 117.03 2ore h GLU 84 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2ore h GLU 84 Cb 1.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.51 2ore h GLU 84 CO 0.18 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.04 2ore n THR 85 N -3.64 1.40 -3.53 1.13 -2.24 -1.22 -4.80 114.28 101.38 2ore n THR 85 Ca 0.17 -1.16 -0.40 0.00 -2.27 0.00 0.00 64.05 60.39 2ore n THR 85 Cb 1.08 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 2ore n THR 85 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2ore s ASN 86 N -1.08 6.42 -0.25 3.42 3.84 0.16 -4.46 114.94 122.98 2ore s ASN 86 Ca 0.41 -3.56 -0.31 0.00 0.21 0.00 0.00 52.86 49.61 2ore s ASN 86 Cb 0.24 -2.02 0.17 0.00 -0.55 0.00 0.00 41.25 39.10 2ore s ASN 86 CO 0.22 -0.25 1.28 0.00 -2.79 0.00 0.00 177.10 175.56 2ore h ALA 88 N 2.13 -0.54 -0.55 0.00 0.00 -1.98 -0.59 119.26 117.72 2ore h ALA 88 Ca -0.09 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2ore h ALA 88 Cb 1.18 1.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.94 2ore h ALA 88 CO 0.23 -0.93 -0.32 -0.85 0.00 0.00 0.00 179.25 177.38 2ore n GLU 89 N -5.39 -0.24 -0.04 0.00 0.00 -1.26 -0.96 120.64 112.75 2ore n GLU 89 Ca -0.01 1.18 -0.11 0.00 0.00 0.00 0.00 57.16 58.22 2ore n GLU 89 Cb 0.34 -1.74 -0.06 0.00 0.00 0.00 0.00 31.44 29.98 2ore n GLU 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2ore h VAL 90 N 0.00 1.20 -0.42 3.84 2.07 -1.84 -2.84 116.25 118.27 2ore h VAL 90 Ca 0.09 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 67.05 2ore h VAL 90 Cb 0.22 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 2ore h VAL 90 CO -0.52 0.19 -0.14 0.22 0.02 0.00 0.00 177.57 177.35 2ore h TYR 91 N 0.05 -0.33 0.00 1.57 3.20 -0.31 0.78 116.97 121.93 2ore h TYR 91 Ca 0.05 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2ore h TYR 91 Cb 0.27 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2ore h TYR 91 CO 0.01 -0.22 -0.01 1.88 -1.64 0.00 0.00 178.16 178.17 2ore h TYR 92 N -0.05 0.00 -0.04 -3.82 -1.99 -1.06 -0.80 116.97 109.21 2ore h TYR 92 Ca 0.20 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.88 2ore h TYR 92 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 2ore h TYR 92 CO -0.40 0.01 -0.19 0.37 -0.00 0.00 0.00 178.16 177.95 2ore h GLN 93 N 0.00 0.20 -0.42 4.88 4.15 -0.68 -2.72 115.11 120.52 2ore h GLN 93 Ca -0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 2ore h GLN 93 Cb 0.50 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2ore h GLN 93 CO 0.00 0.82 0.17 0.74 -1.93 0.00 0.00 178.83 178.63 2ore h PHE 94 N -0.36 0.64 -0.78 3.99 0.05 -0.73 -0.49 116.94 119.25 2ore h PHE 94 Ca -0.01 -0.05 0.09 0.00 3.82 0.00 0.00 57.97 61.82 2ore h PHE 94 Cb 0.85 -0.19 -0.05 0.00 2.00 0.00 0.00 35.95 38.56 2ore h PHE 94 CO 0.14 0.56 0.51 -0.09 -0.18 0.00 0.00 178.31 179.26 2ore h ARG 95 N 0.53 0.73 0.07 1.51 2.43 -1.20 0.28 114.38 118.73 2ore h ARG 95 Ca 0.14 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2ore h ARG 95 Cb 0.19 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2ore h ARG 95 CO -0.01 0.48 -0.04 1.49 -1.51 0.00 0.00 179.97 180.39 2ore h GLU 96 N 0.75 -0.10 -0.99 0.20 4.81 -1.11 -1.97 114.58 116.17 2ore h GLU 96 Ca 0.36 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.82 2ore h GLU 96 Cb 0.39 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 2ore h GLU 96 CO -0.13 0.41 0.63 1.49 -0.73 0.00 0.00 179.01 180.68 2ore h GLU 97 N -0.67 0.50 0.77 1.92 4.81 -0.15 0.12 114.58 121.88 2ore h GLU 97 Ca -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2ore h GLU 97 Cb 0.55 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.82 2ore h GLU 97 CO 0.02 0.33 -0.37 0.35 -0.73 0.00 0.00 179.01 178.61 2ore h PHE 98 N 0.51 -0.95 -0.37 0.92 3.04 -0.35 0.27 116.94 120.01 2ore h PHE 98 Ca 0.56 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.60 2ore h PHE 98 Cb 1.23 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 40.04 2ore h PHE 98 CO -0.00 -0.59 0.29 -0.91 -2.02 0.00 0.00 178.31 175.08 2ore h ASN 99 N -1.20 0.00 0.87 0.41 2.35 -0.47 -1.82 115.58 115.72 2ore h ASN 99 Ca -0.11 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2ore h ASN 99 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2ore h ASN 99 CO 0.17 0.00 -1.17 0.29 -1.65 0.00 0.00 177.43 175.07 2ore n LYS 100 N -4.23 0.61 -1.24 0.81 4.01 -0.08 -4.97 118.16 113.07 2ore n LYS 100 Ca 0.06 0.15 -0.33 0.00 -0.51 0.00 0.00 58.31 57.69 2ore n LYS 100 Cb 0.47 -1.82 0.11 0.00 -0.51 0.00 0.00 35.03 33.28 2ore n LYS 100 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2ore s SER 101 N -5.50 4.00 0.00 4.39 0.15 0.08 -4.97 113.70 111.85 2ore s SER 101 Ca -0.02 2.19 0.00 0.00 0.70 0.00 0.00 55.95 58.82 2ore s SER 101 Cb 0.09 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2ore s SER 101 CO 0.80 -2.38 0.19 0.00 1.20 0.00 0.00 173.24 173.05 2ore n GLN 102 N -3.22 2.28 -2.94 5.44 1.13 -1.26 -5.00 117.38 113.81 2ore n GLN 102 Ca 0.12 -0.19 -0.43 0.00 -1.94 0.00 0.00 57.00 54.56 2ore n GLN 102 Cb 0.51 -0.64 -0.05 0.00 0.11 0.00 0.00 30.24 30.18 2ore n GLN 102 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2ore s ASP 103 N -0.38 6.41 0.23 1.08 3.68 -1.26 -4.95 116.67 121.47 2ore s ASP 103 Ca 0.00 -0.12 -0.11 0.00 2.13 0.00 0.00 52.55 54.45 2ore s ASP 103 Cb 0.00 -2.40 0.33 0.00 -1.45 0.00 0.00 42.92 39.40 2ore s ASP 103 CO 0.00 -0.96 1.63 -0.65 0.13 0.00 0.00 175.17 175.32 2ore h PRO 104 N 9.02 0.05 0.27 4.34 0.11 -1.98 -0.21 132.00 143.60 2ore h PRO 104 Ca -0.25 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 2ore h PRO 104 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2ore h PRO 104 CO 0.98 0.03 -0.13 0.35 -0.21 0.00 0.00 178.00 179.02 2ore h PHE 105 N 0.05 -0.34 -0.14 0.65 3.57 -1.97 0.16 116.94 118.93 2ore h PHE 105 Ca 0.35 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.86 2ore h PHE 105 Cb 0.58 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2ore h PHE 105 CO -0.48 -0.21 0.04 -0.09 -2.23 0.00 0.00 178.31 175.34 2ore h ARG 106 N -0.37 0.10 -0.83 1.11 9.65 -1.85 -1.09 114.38 121.10 2ore h ARG 106 Ca -0.04 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.93 2ore h ARG 106 Cb 0.28 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.77 2ore h ARG 106 CO 0.06 0.07 0.48 0.00 2.80 0.00 0.00 179.97 183.38 2ore h ARG 107 N 0.11 0.80 -0.67 0.20 3.08 -0.92 0.02 114.38 116.99 2ore h ARG 107 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ore h ARG 107 Cb 0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2ore h ARG 107 CO -0.06 0.53 0.43 0.00 -1.07 0.00 0.00 179.97 179.79 2ore h ALA 108 N 1.45 1.49 0.48 0.04 0.00 0.12 0.27 119.26 123.10 2ore h ALA 108 Ca 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2ore h ALA 108 Cb 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ore h ALA 108 CO -0.24 0.46 -0.23 0.28 0.00 0.00 0.00 179.25 179.52 2ore h VAL 109 N 0.92 0.00 -0.89 0.00 2.07 0.10 -3.07 116.25 115.37 2ore h VAL 109 Ca 0.24 -0.46 0.23 0.00 0.82 0.00 0.00 66.70 67.53 2ore h VAL 109 Cb -0.08 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.64 2ore h VAL 109 CO -0.05 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.08 2ore h LEU 110 N -1.10 0.25 -0.07 2.57 3.38 -0.93 -0.89 115.31 118.52 2ore h LEU 110 Ca -0.07 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2ore h LEU 110 Cb 0.49 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2ore h LEU 110 CO 0.11 0.09 -0.07 0.15 0.09 0.00 0.00 178.44 178.81 2ore h PHE 111 N 0.24 -0.17 -0.60 1.13 3.57 -0.44 0.98 116.94 121.65 2ore h PHE 111 Ca 0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2ore h PHE 111 Cb 1.39 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 2ore h PHE 111 CO -0.00 -0.11 0.38 1.25 -2.23 0.00 0.00 178.31 177.60 2ore h LEU 112 N -0.09 0.70 0.07 0.59 5.85 -1.07 0.18 115.31 121.53 2ore h LEU 112 Ca 0.05 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2ore h LEU 112 Cb 0.17 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2ore h LEU 112 CO -0.13 0.52 -0.03 0.22 -0.34 0.00 0.00 178.44 178.68 2ore h TYR 113 N 0.82 -0.09 -0.99 1.25 3.20 -1.12 -2.47 116.97 117.57 2ore h TYR 113 Ca 0.22 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.15 2ore h TYR 113 Cb -0.06 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 2ore h TYR 113 CO 0.00 0.21 0.64 -0.07 -1.64 0.00 0.00 178.16 177.30 2ore h LEU 114 N -0.38 1.03 -1.99 2.82 3.38 -0.38 0.23 115.31 120.02 2ore h LEU 114 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ore h LEU 114 Cb 0.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ore h LEU 114 CO 0.02 0.67 -0.09 -1.13 0.09 0.00 0.00 178.44 177.99 2ore h ASN 115 N 1.18 0.00 0.00 -0.43 -0.73 -0.78 0.13 115.58 114.95 2ore h ASN 115 Ca 0.42 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.37 2ore h ASN 115 Cb 0.14 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 2ore h ASN 115 CO -0.17 0.09 -2.00 0.54 -0.37 0.00 0.00 177.43 175.52 2ore n ARG 116 N -3.53 1.23 0.00 6.67 5.12 -0.51 -4.39 116.66 121.26 2ore n ARG 116 Ca -0.02 -0.04 0.11 0.00 -1.93 0.00 0.00 57.85 55.97 2ore n ARG 116 Cb 0.22 -1.40 0.04 0.00 -1.16 0.00 0.00 32.46 30.16 2ore n ARG 116 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2ore n TYR 117 N -2.47 0.00 -2.76 -1.55 4.02 0.68 -4.81 117.16 110.27 2ore n TYR 117 Ca -0.20 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.44 2ore n TYR 117 Cb 0.88 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.22 2ore n TYR 117 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2ore s GLY 118 N -2.19 1.56 0.02 2.72 0.00 0.45 -1.07 107.32 108.82 2ore s GLY 118 Ca 0.21 -0.87 -0.35 0.00 0.00 0.00 0.00 44.72 43.71 2ore s GLY 118 CO 0.44 -0.67 1.68 2.98 0.00 0.00 0.00 173.10 177.53 2ore n TYR 119 N -2.26 2.20 -4.37 1.90 9.36 0.14 -2.52 117.16 121.62 2ore n TYR 119 Ca 0.02 0.22 -0.40 0.00 3.32 0.00 0.00 57.90 61.06 2ore n TYR 119 Cb 0.57 -2.56 -0.08 0.00 -0.63 0.00 0.00 39.34 36.64 2ore n TYR 119 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2ore n ASN 120 N 4.72 -1.50 -3.94 2.98 4.13 -1.26 -1.35 115.26 119.03 2ore n ASN 120 Ca 0.20 -1.18 -0.31 0.00 1.68 0.00 0.00 54.58 54.97 2ore n ASN 120 Cb 0.27 -1.51 -0.07 0.00 -1.54 0.00 0.00 39.78 36.93 2ore n ASN 120 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ore n GLY 121 N -1.16 -0.23 3.92 7.41 0.00 -1.05 -4.88 105.19 109.20 2ore n GLY 121 Ca 0.08 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2ore n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ore s LEU 122 N -6.18 3.58 -0.40 0.99 1.43 -0.46 -4.37 118.68 113.27 2ore s LEU 122 Ca 0.41 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2ore s LEU 122 Cb -0.24 -3.66 0.14 0.00 0.03 0.00 0.00 46.19 42.46 2ore s LEU 122 CO 0.81 -0.67 0.23 0.00 0.23 0.00 0.00 176.35 176.95 2ore s ARG 124 N 0.63 1.22 0.10 0.00 1.81 -1.26 -5.08 118.95 116.36 2ore s ARG 124 Ca 0.18 -0.94 0.10 0.00 -1.72 0.00 0.00 55.73 53.35 2ore s ARG 124 Cb -0.23 -1.34 -0.04 0.00 -0.45 0.00 0.00 34.95 32.90 2ore s ARG 124 CO -0.00 0.33 -0.26 0.71 -0.68 0.00 0.00 175.30 175.40 2ore s TYR 125 N -0.89 2.22 0.57 -0.53 1.51 -1.26 -1.89 117.35 117.08 2ore s TYR 125 Ca 0.06 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 2ore s TYR 125 Cb -0.09 -1.25 0.13 0.00 -0.11 0.00 0.00 41.96 40.64 2ore s TYR 125 CO 0.02 0.25 0.78 0.27 -1.11 0.00 0.00 175.55 175.76 2ore n ASN 126 N 1.23 0.16 0.31 2.29 0.23 0.64 -4.87 115.26 115.26 2ore n ASN 126 Ca -0.18 -1.34 0.20 0.00 -0.53 0.00 0.00 54.58 52.73 2ore n ASN 126 Cb 0.53 -0.59 1.00 0.00 -2.08 0.00 0.00 39.78 38.64 2ore n ASN 126 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2ore h LEU 127 N 0.00 0.00 -0.33 -4.53 3.38 -2.01 -0.76 115.31 111.07 2ore h LEU 127 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2ore h LEU 127 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ore h LEU 127 CO 0.19 0.01 -0.23 0.54 0.09 0.00 0.00 178.44 179.04 2ore n ARG 128 N -3.19 0.65 -0.57 1.13 1.74 -1.26 -4.92 116.66 110.25 2ore n ARG 128 Ca -0.02 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 2ore n ARG 128 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2ore n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ore n GLY 129 N 1.35 0.67 3.86 -0.13 0.00 -0.29 -5.07 105.19 105.58 2ore n GLY 129 Ca 0.12 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2ore n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ore s GLU 130 N -0.94 3.71 -0.18 1.61 2.02 -1.26 -4.80 118.70 118.86 2ore s GLU 130 Ca 0.00 0.14 -0.29 0.00 0.02 0.00 0.00 54.97 54.84 2ore s GLU 130 Cb 0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2ore s GLU 130 CO 0.00 0.67 1.85 0.12 0.02 0.00 0.00 175.26 177.92 2ore s PHE 131 N -1.20 1.68 -0.98 1.61 5.36 -1.26 -0.26 117.98 122.94 2ore s PHE 131 Ca 0.25 0.36 0.13 0.00 -0.96 0.00 0.00 56.93 56.72 2ore s PHE 131 Cb -0.14 -4.03 -0.06 0.00 -0.34 0.00 0.00 43.02 38.44 2ore s PHE 131 CO 0.13 -3.73 0.67 0.27 -1.46 0.00 0.00 175.22 171.11 2ore n ASN 132 N 9.28 1.10 -4.69 6.13 6.94 -0.79 -4.91 115.26 128.32 2ore n ASN 132 Ca 0.22 -1.05 -0.56 0.00 -0.02 0.00 0.00 54.58 53.17 2ore n ASN 132 Cb 0.45 0.69 -0.07 0.00 -2.36 0.00 0.00 39.78 38.49 2ore n ASN 132 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2ore n VAL 133 N -0.65 0.26 -1.04 3.53 0.31 -1.26 -4.96 118.33 114.53 2ore n VAL 133 Ca 0.04 -0.05 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 2ore n VAL 133 Cb 0.25 -1.17 0.22 0.00 -0.91 0.00 0.00 33.84 32.23 2ore n VAL 133 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2ore s PRO 134 N 3.00 -0.56 0.04 5.55 0.04 -1.26 -4.67 135.00 137.13 2ore s PRO 134 Ca 0.96 0.28 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2ore s PRO 134 Cb -1.04 -1.64 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 2ore s PRO 134 CO 0.62 -3.35 1.68 0.12 0.04 0.00 0.00 177.00 176.11 2ore s PHE 135 N -2.90 2.25 -0.88 0.56 5.36 -1.26 0.27 117.98 121.38 2ore s PHE 135 Ca 0.68 0.24 0.18 0.00 -0.96 0.00 0.00 56.93 57.07 2ore s PHE 135 Cb -0.15 -3.98 0.76 0.00 -0.34 0.00 0.00 43.02 39.31 2ore s PHE 135 CO 0.58 -3.99 1.57 0.41 -1.46 0.00 0.00 175.22 172.32 2ore n GLY 136 N 4.06 -1.13 3.96 13.12 0.00 -0.23 -4.38 105.19 120.59 2ore n GLY 136 Ca 0.16 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2ore n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ore n ARG 137 N -1.69 -1.80 -2.91 1.61 1.74 -1.26 -4.77 116.66 107.58 2ore n ARG 137 Ca 0.04 0.31 -0.24 0.00 -0.77 0.00 0.00 57.85 57.18 2ore n ARG 137 Cb 0.21 -3.90 0.01 0.00 -1.02 0.00 0.00 32.46 27.76 2ore n ARG 137 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2ore s TYR 138 N -3.81 3.34 0.00 -1.55 1.51 -1.26 -5.06 117.35 110.52 2ore s TYR 138 Ca 0.22 0.42 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 2ore s TYR 138 Cb -0.10 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 2ore s TYR 138 CO 0.91 -0.32 0.33 0.36 -1.11 0.00 0.00 175.55 175.72 2ore n LYS 139 N -2.13 0.00 -3.73 -0.62 0.00 -1.26 -4.74 118.16 105.68 2ore n LYS 139 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.02 2ore n LYS 139 Cb 0.57 -0.81 -0.14 0.00 -0.00 0.00 0.00 35.03 34.65 2ore n LYS 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2ore s LYS 140 N -0.66 1.11 0.08 -1.58 0.00 -1.26 -5.10 119.74 112.34 2ore s LYS 140 Ca 0.00 -1.71 -0.36 0.00 0.00 0.00 0.00 55.97 53.90 2ore s LYS 140 Cb 0.00 -2.25 -0.16 0.00 0.00 0.00 0.00 37.83 35.42 2ore s LYS 140 CO 0.00 -1.10 1.46 -2.30 0.00 0.00 0.00 175.35 173.41 2ore n PRO 141 N 3.98 1.51 -3.12 1.78 -0.02 -1.26 -4.93 135.00 132.95 2ore n PRO 141 Ca 0.05 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.69 2ore n PRO 141 Cb 0.37 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 2ore n PRO 141 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2ore s TYR 142 N 0.93 3.57 -0.41 6.00 5.04 -1.26 -4.97 117.35 126.25 2ore s TYR 142 Ca 0.84 1.17 -0.22 0.00 -2.44 0.00 0.00 57.07 56.42 2ore s TYR 142 Cb -0.86 -2.73 0.02 0.00 0.35 0.00 0.00 41.96 38.73 2ore s TYR 142 CO 0.45 0.13 0.70 0.12 -1.34 0.00 0.00 175.55 175.61 2ore s PHE 143 N 0.68 3.07 -0.24 4.97 5.36 -1.26 -4.96 117.98 125.60 2ore s PHE 143 Ca 0.34 0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 56.48 2ore s PHE 143 Cb -0.17 -3.40 -0.10 0.00 -0.34 0.00 0.00 43.02 39.01 2ore s PHE 143 CO 0.16 -0.82 1.95 -0.35 -1.46 0.00 0.00 175.22 174.70 2ore n PRO 144 N 6.37 1.19 0.40 10.12 -0.04 -1.26 -4.65 135.00 147.12 2ore n PRO 144 Ca 0.00 -0.73 -0.18 0.00 -0.04 0.00 0.00 63.50 62.55 2ore n PRO 144 Cb 0.48 -1.94 -0.09 0.00 -0.04 0.00 0.00 33.50 31.91 2ore n PRO 144 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2ore h GLU 145 N 5.24 -1.07 -0.48 0.54 4.81 -1.97 0.14 114.58 121.79 2ore h GLU 145 Ca 0.19 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.59 2ore h GLU 145 Cb 0.52 0.24 -0.10 0.00 0.63 0.00 0.00 28.75 30.05 2ore h GLU 145 CO 0.69 -0.71 -0.22 0.00 -0.73 0.00 0.00 179.01 178.03 2ore h ALA 146 N -1.26 0.12 0.02 2.92 0.00 -2.01 -2.24 119.26 116.82 2ore h ALA 146 Ca -0.10 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2ore h ALA 146 Cb 0.89 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 2ore h ALA 146 CO 0.10 -0.57 -0.32 0.93 0.00 0.00 0.00 179.25 179.39 2ore h GLU 147 N -0.12 -0.47 -0.24 0.00 3.07 -1.83 -1.88 114.58 113.11 2ore h GLU 147 Ca 0.23 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.17 2ore h GLU 147 Cb 0.47 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.41 2ore h GLU 147 CO -0.56 -0.31 -0.45 -0.07 -1.40 0.00 0.00 179.01 176.22 2ore h LEU 148 N -0.49 -1.45 -0.61 1.33 3.38 -0.14 0.80 115.31 118.14 2ore h LEU 148 Ca 0.06 0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.34 2ore h LEU 148 Cb 0.56 0.60 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 2ore h LEU 148 CO -0.25 -0.41 0.14 1.88 0.09 0.00 0.00 178.44 179.88 2ore h TYR 149 N -0.44 0.22 0.20 1.13 -1.99 -1.27 0.16 116.97 114.97 2ore h TYR 149 Ca 0.09 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.86 2ore h TYR 149 Cb 0.62 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 2ore h TYR 149 CO -0.56 -0.03 -0.25 1.25 -0.00 0.00 0.00 178.16 178.57 2ore h HIS 150 N 0.27 -0.67 -0.67 4.88 2.76 -0.39 0.63 115.15 121.96 2ore h HIS 150 Ca 0.32 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.64 2ore h HIS 150 Cb 0.47 0.27 -0.11 0.00 1.55 0.00 0.00 27.41 29.59 2ore h HIS 150 CO -0.24 -0.36 0.07 0.35 -1.30 0.00 0.00 177.93 176.44 2ore h PHE 151 N -0.51 0.07 -0.55 5.26 3.57 0.32 0.73 116.94 125.84 2ore h PHE 151 Ca 0.01 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2ore h PHE 151 Cb 0.49 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2ore h PHE 151 CO -0.19 -0.14 0.01 0.00 -2.23 0.00 0.00 178.31 175.76 2ore h ALA 152 N 1.59 0.97 -0.26 2.41 0.00 -0.16 0.72 119.26 124.53 2ore h ALA 152 Ca 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2ore h ALA 152 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ore h ALA 152 CO -0.53 0.63 0.04 1.05 0.00 0.00 0.00 179.25 180.43 2ore h GLU 153 N 0.87 0.43 0.00 0.00 -0.00 0.53 -2.85 114.58 113.56 2ore h GLU 153 Ca 0.16 -0.12 -0.14 0.00 -0.00 0.00 0.00 59.36 59.27 2ore h GLU 153 Cb 0.50 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.18 2ore h GLU 153 CO 0.02 0.55 -0.66 -0.22 -0.00 0.00 0.00 179.01 178.70 2ore h LYS 154 N 0.23 0.00 0.00 1.06 3.64 -0.73 -3.11 116.57 117.66 2ore h LYS 154 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2ore h LYS 154 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2ore h LYS 154 CO 0.01 0.66 0.01 0.00 -2.27 0.00 0.00 179.45 177.86 2ore h ALA 155 N 1.34 1.01 0.00 5.00 0.00 0.70 -2.65 119.26 124.66 2ore h ALA 155 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ore h ALA 155 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ore h ALA 155 CO 0.09 -0.01 -0.03 1.96 0.00 0.00 0.00 179.25 181.25 2ore h GLN 156 N 0.00 0.00 -0.62 0.00 1.08 -1.47 -1.53 115.11 112.57 2ore h GLN 156 Ca 0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 2ore h GLN 156 Cb 0.02 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.29 2ore h GLN 156 CO 0.00 0.03 0.23 0.09 -0.95 0.00 0.00 178.83 178.23 2ore n ASN 157 N -3.83 3.64 -4.29 1.46 4.13 -1.00 -4.96 115.26 110.41 2ore n ASN 157 Ca -0.03 -3.48 -0.16 0.00 1.68 0.00 0.00 54.58 52.59 2ore n ASN 157 Cb 0.12 -0.71 -0.10 0.00 -1.54 0.00 0.00 39.78 37.55 2ore n ASN 157 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ore s ALA 158 N -3.14 1.64 -0.05 5.41 0.00 -0.58 -0.59 121.76 124.45 2ore s ALA 158 Ca 0.51 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.80 2ore s ALA 158 Cb 0.43 0.43 0.02 0.00 0.00 0.00 0.00 23.12 24.00 2ore s ALA 158 CO 0.08 -0.24 -0.06 -0.06 0.00 0.00 0.00 175.76 175.48 2ore s PHE 159 N -3.46 0.89 -0.22 0.00 2.99 -1.02 -4.93 117.98 112.24 2ore s PHE 159 Ca 0.25 -0.28 -0.07 0.00 0.00 0.00 0.00 56.93 56.83 2ore s PHE 159 Cb 0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 43.02 42.27 2ore s PHE 159 CO 0.06 -0.23 0.07 -0.06 -0.00 0.00 0.00 175.22 175.06 2ore s PHE 160 N 0.99 3.14 0.06 0.36 0.40 -1.26 -0.35 117.98 121.32 2ore s PHE 160 Ca -0.10 -0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 2ore s PHE 160 Cb -0.14 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 2ore s PHE 160 CO -0.00 -0.15 -0.22 0.71 0.70 0.00 0.00 175.22 176.26 2ore s TYR 161 N 1.13 2.45 -0.62 0.36 1.51 0.01 -4.99 117.35 117.20 2ore s TYR 161 Ca 0.04 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 55.69 2ore s TYR 161 Cb -0.14 -1.40 0.16 0.00 -0.11 0.00 0.00 41.96 40.47 2ore s TYR 161 CO 0.03 0.24 0.50 0.00 -1.11 0.00 0.00 175.55 175.21 2ore s GLU 163 N 0.62 1.44 0.74 0.00 -1.05 -1.02 -4.95 118.70 114.49 2ore s GLU 163 Ca 0.12 -0.73 -0.13 0.00 -0.15 0.00 0.00 54.97 54.09 2ore s GLU 163 Cb -0.20 0.57 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2ore s GLU 163 CO -0.04 -0.64 1.12 0.45 0.95 0.00 0.00 175.26 177.10 2ore s SER 164 N -2.83 4.51 0.54 0.83 0.15 -1.26 -3.75 113.70 111.88 2ore s SER 164 Ca 0.06 1.99 0.30 0.00 0.70 0.00 0.00 55.95 58.99 2ore s SER 164 Cb -0.02 -2.54 1.46 0.00 -1.71 0.00 0.00 66.02 63.20 2ore s SER 164 CO -0.05 -2.04 1.92 0.10 1.20 0.00 0.00 173.24 174.38 2ore h TYR 165 N -0.70 0.00 -0.44 3.44 -0.00 -1.97 -1.08 116.97 116.21 2ore h TYR 165 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.25 2ore h TYR 165 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.96 2ore h TYR 165 CO 0.55 0.00 0.15 0.00 -0.00 0.00 0.00 178.16 178.86 2ore h ALA 166 N 1.61 0.58 -0.10 0.10 0.00 -1.95 -2.72 119.26 116.77 2ore h ALA 166 Ca 0.37 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.88 2ore h ALA 166 Cb 1.49 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2ore h ALA 166 CO -0.00 0.21 -0.85 -0.44 0.00 0.00 0.00 179.25 178.17 2ore h ASP 167 N 0.58 0.92 -0.42 0.00 3.32 -1.55 -3.13 116.42 116.13 2ore h ASP 167 Ca 0.15 -0.67 -0.05 0.00 0.02 0.00 0.00 57.03 56.47 2ore h ASP 167 Cb 0.24 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2ore h ASP 167 CO -0.01 1.45 0.05 0.77 -1.72 0.00 0.00 179.24 179.78 2ore h SER 168 N 0.47 0.68 0.15 6.45 4.64 -1.56 -1.73 113.55 122.65 2ore h SER 168 Ca -0.08 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2ore h SER 168 Cb 1.49 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2ore h SER 168 CO 0.17 0.78 -0.02 0.24 -0.87 0.00 0.00 176.83 177.13 2ore h MET 169 N 0.56 0.00 0.00 4.77 2.86 -1.57 0.21 114.93 121.76 2ore h MET 169 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2ore h MET 169 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2ore h MET 169 CO 0.01 0.02 0.00 0.00 1.06 0.00 0.00 176.91 178.00 2ore n ALA 170 N -2.19 2.51 -0.01 6.32 0.00 -0.65 -2.66 120.51 123.82 2ore n ALA 170 Ca -0.02 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.37 2ore n ALA 170 Cb 0.12 -1.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.07 2ore n ALA 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ore n ARG 171 N -0.88 0.66 -1.69 0.00 1.74 0.73 -4.99 116.66 112.24 2ore n ARG 171 Ca 0.16 -0.17 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 2ore n ARG 171 Cb 0.07 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.01 2ore n ARG 171 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ore n ALA 172 N -2.30 1.05 -3.10 7.54 0.00 -1.09 -5.02 120.51 117.59 2ore n ALA 172 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2ore n ALA 172 Cb 0.62 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2ore n ALA 172 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ore n ASP 173 N -0.23 0.50 -0.13 0.00 5.68 -1.26 -4.99 116.55 116.12 2ore n ASP 173 Ca 0.09 -0.41 0.12 0.00 -0.50 0.00 0.00 54.79 54.10 2ore n ASP 173 Cb 0.42 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.88 2ore n ASP 173 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2ore h ASP 174 N 0.00 0.42 -0.70 -1.12 5.19 -1.92 -1.56 116.42 116.72 2ore h ASP 174 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2ore h ASP 174 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2ore h ASP 174 CO 0.00 0.24 0.00 0.00 -3.12 0.00 0.00 179.24 176.36 2ore n ALA 175 N -2.51 2.55 -2.44 3.45 0.00 -1.26 -4.94 120.51 115.36 2ore n ALA 175 Ca 0.12 -1.38 -0.29 0.00 0.00 0.00 0.00 53.44 51.89 2ore n ALA 175 Cb 0.41 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2ore n ALA 175 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ore s SER 176 N -0.98 6.45 -0.16 0.00 0.01 -0.59 -0.88 113.70 117.55 2ore s SER 176 Ca 0.49 0.81 -0.04 0.00 1.31 0.00 0.00 55.95 58.52 2ore s SER 176 Cb 0.27 -2.18 0.06 0.00 0.21 0.00 0.00 66.02 64.37 2ore s SER 176 CO 0.31 -0.26 0.07 -0.69 0.41 0.00 0.00 173.24 173.08 2ore s VAL 177 N -2.19 0.04 -0.11 3.43 1.01 0.05 -4.41 120.40 118.23 2ore s VAL 177 Ca 0.46 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 2ore s VAL 177 Cb -0.11 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2ore s VAL 177 CO 0.31 -0.20 0.66 -0.69 0.00 0.00 0.00 175.10 175.19 2ore s VAL 178 N 2.08 5.05 -0.20 2.92 1.01 -0.80 -2.66 120.40 127.80 2ore s VAL 178 Ca 0.02 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.34 2ore s VAL 178 Cb -0.16 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.26 2ore s VAL 178 CO -0.08 0.22 -0.16 -0.47 0.00 0.00 0.00 175.10 174.61 2ore s TYR 179 N 1.07 2.91 -0.14 5.22 5.04 -0.71 -0.86 117.35 129.87 2ore s TYR 179 Ca 0.34 -1.75 -0.03 0.00 -2.44 0.00 0.00 57.07 53.19 2ore s TYR 179 Cb -0.17 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.17 2ore s TYR 179 CO 0.15 -0.81 -0.03 0.00 -1.34 0.00 0.00 175.55 173.52 2ore n ASP 181 N 3.34 2.13 -4.70 0.00 4.64 -1.26 -1.13 116.55 119.57 2ore n ASP 181 Ca -0.17 -3.14 -0.29 0.00 -1.38 0.00 0.00 54.79 49.81 2ore n ASP 181 Cb 0.53 -0.64 0.15 0.00 -1.04 0.00 0.00 41.12 40.12 2ore n ASP 181 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2ore s PRO 182 N -2.10 0.93 0.30 -0.67 0.04 -1.26 -4.80 135.00 127.44 2ore s PRO 182 Ca 0.39 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 2ore s PRO 182 Cb 0.20 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.85 2ore s PRO 182 CO -0.07 -2.45 1.57 -2.14 0.04 0.00 0.00 177.00 173.94 2ore s PRO 183 N -4.92 4.13 -0.02 0.56 0.02 -1.26 -4.84 135.00 128.67 2ore s PRO 183 Ca 0.64 2.56 -0.40 0.00 0.02 0.00 0.00 61.00 63.82 2ore s PRO 183 Cb -0.19 -3.02 -0.19 0.00 0.02 0.00 0.00 34.50 31.12 2ore s PRO 183 CO 0.57 -0.60 1.16 0.66 -0.33 0.00 0.00 177.00 178.46 2ore n TYR 184 N 1.91 0.88 -2.46 6.54 0.53 -1.26 -4.93 117.16 118.37 2ore n TYR 184 Ca 0.07 0.98 -0.36 0.00 -1.02 0.00 0.00 57.90 57.57 2ore n TYR 184 Cb 0.38 -2.15 -0.03 0.00 -1.03 0.00 0.00 39.34 36.51 2ore n TYR 184 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2ore s ALA 185 N 0.31 3.01 0.08 -0.72 0.00 -1.26 -4.88 121.76 118.30 2ore s ALA 185 Ca 0.91 0.75 -0.36 0.00 0.00 0.00 0.00 51.96 53.26 2ore s ALA 185 Cb -1.22 -3.30 -0.18 0.00 0.00 0.00 0.00 23.12 18.41 2ore s ALA 185 CO 0.57 -0.37 0.97 -2.30 0.00 0.00 0.00 175.76 174.63 2ore n PRO 186 N -0.38 0.28 -0.00 0.00 -0.02 -1.26 -4.77 135.00 128.84 2ore n PRO 186 Ca 0.07 0.10 0.02 0.00 -2.02 0.00 0.00 63.50 61.66 2ore n PRO 186 Cb 0.50 -1.48 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 2ore n PRO 186 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ore n LEU 187 N 1.78 0.09 0.00 2.45 7.99 -1.26 -4.95 117.00 123.10 2ore n LEU 187 Ca 0.19 -0.31 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 2ore n LEU 187 Cb 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 2ore n LEU 187 CO 0.60 0.02 0.00 -1.20 -1.51 0.00 0.00 177.39 175.30 2ore n SER 200 N -1.29 0.00 -4.35 -1.43 7.64 -1.26 -5.16 113.62 107.78 2ore n SER 200 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 2ore n SER 200 Cb 0.07 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 2ore n SER 200 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ore s PHE 201 N -0.13 3.21 0.58 1.43 5.36 -1.26 -5.05 117.98 122.11 2ore s PHE 201 Ca 0.00 -1.25 -0.20 0.00 -0.96 0.00 0.00 56.93 54.52 2ore s PHE 201 Cb 0.00 -3.92 -0.05 0.00 -0.34 0.00 0.00 43.02 38.71 2ore s PHE 201 CO 0.00 -1.16 1.10 0.25 -1.46 0.00 0.00 175.22 173.95 2ore n THR 202 N 5.21 3.75 0.26 0.12 -2.24 -1.26 -4.79 114.28 115.33 2ore n THR 202 Ca -0.07 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.31 2ore n THR 202 Cb 0.42 -1.30 0.67 0.00 -2.10 0.00 0.00 70.33 68.02 2ore n THR 202 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ore h LEU 203 N 0.81 0.00 -1.19 3.22 3.38 -1.98 0.68 115.31 120.22 2ore h LEU 203 Ca -0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 2ore h LEU 203 Cb 1.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 2ore h LEU 203 CO 0.53 0.10 0.31 -0.33 0.09 0.00 0.00 178.44 179.15 2ore h GLU 204 N 0.00 0.88 -0.15 1.13 3.07 -1.99 -0.95 114.58 116.57 2ore h GLU 204 Ca -0.00 -0.11 -0.21 0.00 -0.50 0.00 0.00 59.36 58.54 2ore h GLU 204 Cb 0.22 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2ore h GLU 204 CO 0.01 0.67 -0.74 1.96 -1.40 0.00 0.00 179.01 179.51 2ore h GLN 205 N 0.88 0.70 -0.90 2.33 4.20 -1.25 0.10 115.11 121.16 2ore h GLN 205 Ca 0.22 -0.55 0.08 0.00 0.06 0.00 0.00 58.65 58.45 2ore h GLN 205 Cb 0.07 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 2ore h GLN 205 CO -0.03 1.17 0.58 1.96 -0.67 0.00 0.00 178.83 181.84 2ore h GLN 206 N 0.49 0.95 0.08 1.46 1.08 -0.35 -0.72 115.11 118.09 2ore h GLN 206 Ca -0.04 -0.06 -0.27 0.00 -1.45 0.00 0.00 58.65 56.83 2ore h GLN 206 Cb 1.35 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2ore h GLN 206 CO 0.15 0.63 -1.33 0.00 -0.95 0.00 0.00 178.83 177.33 2ore h ALA 207 N 1.53 0.29 -0.64 3.87 0.00 -1.08 -3.26 119.26 119.97 2ore h ALA 207 Ca 0.40 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2ore h ALA 207 Cb 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2ore h ALA 207 CO -0.16 1.16 0.30 1.25 0.00 0.00 0.00 179.25 181.81 2ore h HIS 208 N 0.05 0.90 -0.43 0.00 -0.00 -0.39 -1.05 115.15 114.23 2ore h HIS 208 Ca -0.16 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.19 2ore h HIS 208 Cb 1.94 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 29.04 2ore h HIS 208 CO 0.04 0.66 0.27 1.25 -0.00 0.00 0.00 177.93 180.16 2ore h LEU 209 N 0.90 0.47 -0.85 0.26 5.85 -1.21 -0.55 115.31 120.18 2ore h LEU 209 Ca 0.22 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2ore h LEU 209 Cb 0.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2ore h LEU 209 CO -0.03 0.34 0.46 0.00 -0.34 0.00 0.00 178.44 178.87 2ore h ALA 210 N 1.16 1.09 -0.37 1.25 0.00 -1.42 0.07 119.26 121.04 2ore h ALA 210 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2ore h ALA 210 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2ore h ALA 210 CO -0.05 0.60 0.08 1.49 0.00 0.00 0.00 179.25 181.38 2ore h GLU 211 N 1.18 0.61 -0.44 0.00 4.81 -0.66 -1.49 114.58 118.60 2ore h GLU 211 Ca 0.30 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2ore h GLU 211 Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2ore h GLU 211 CO -0.05 0.65 0.24 0.82 -0.73 0.00 0.00 179.01 179.95 2ore h ILE 212 N 0.46 1.16 -0.30 2.32 2.04 -0.78 -0.82 117.51 121.58 2ore h ILE 212 Ca 0.12 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.65 2ore h ILE 212 Cb 0.33 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 2ore h ILE 212 CO 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 178.15 178.16 2ore h ALA 213 N 1.09 0.08 -0.80 1.87 0.00 -0.77 0.14 119.26 120.87 2ore h ALA 213 Ca 0.15 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2ore h ALA 213 Cb 0.05 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2ore h ALA 213 CO -0.03 -0.55 0.48 0.93 0.00 0.00 0.00 179.25 180.09 2ore h GLU 214 N -0.11 0.83 -0.78 0.00 5.08 -0.87 -0.66 114.58 118.06 2ore h GLU 214 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2ore h GLU 214 Cb 0.35 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2ore h GLU 214 CO -0.37 0.55 0.44 0.78 -1.00 0.00 0.00 179.01 179.41 2ore h GLY 215 N 0.86 1.15 0.90 -3.84 0.00 0.51 -2.68 103.07 99.97 2ore h GLY 215 Ca 0.36 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 2ore h GLY 215 CO -0.19 0.48 -0.20 1.41 0.00 0.00 0.00 176.54 178.04 2ore h LEU 216 N 1.09 0.63 -1.59 3.11 3.38 0.58 -3.12 115.31 119.39 2ore h LEU 216 Ca 0.28 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2ore h LEU 216 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2ore h LEU 216 CO -0.05 0.94 -0.03 1.62 0.09 0.00 0.00 178.44 181.02 2ore h VAL 217 N 0.32 1.12 -0.03 1.22 3.04 -1.05 0.21 116.25 121.09 2ore h VAL 217 Ca 0.05 -0.48 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 2ore h VAL 217 Cb 0.74 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2ore h VAL 217 CO 0.05 0.16 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.38 2ore h GLU 218 N 0.22 0.04 -0.07 4.17 3.07 -1.42 -0.12 114.58 120.47 2ore h GLU 218 Ca 0.05 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2ore h GLU 218 Cb 0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2ore h GLU 218 CO 0.01 0.10 0.00 0.54 -1.40 0.00 0.00 179.01 178.25 2ore n ARG 219 N -4.45 1.28 -2.52 2.33 1.74 0.03 -4.88 116.66 110.19 2ore n ARG 219 Ca -0.02 -0.42 -0.05 0.00 -0.77 0.00 0.00 57.85 56.59 2ore n ARG 219 Cb 0.15 -1.31 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 2ore n ARG 219 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2ore n HIS 220 N -0.35 -0.49 -4.03 -1.55 8.25 -0.06 -4.95 115.22 112.05 2ore n HIS 220 Ca 0.14 0.15 -0.31 0.00 -0.26 0.00 0.00 57.72 57.43 2ore n HIS 220 Cb 0.16 -1.79 -0.15 0.00 1.12 0.00 0.00 29.99 29.33 2ore n HIS 220 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2ore s ILE 221 N -2.79 2.16 0.44 1.59 1.01 -1.03 -4.93 121.20 117.65 2ore s ILE 221 Ca 0.08 -1.98 -0.26 0.00 0.00 0.00 0.00 60.65 58.49 2ore s ILE 221 Cb -0.04 -2.45 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 2ore s ILE 221 CO 0.10 -0.35 1.45 -2.16 0.00 0.00 0.00 174.94 173.98 2ore s PRO 222 N 1.03 3.74 0.01 2.79 0.04 -1.26 -3.15 135.00 138.20 2ore s PRO 222 Ca 0.02 2.47 0.01 0.00 0.04 0.00 0.00 61.00 63.54 2ore s PRO 222 Cb -0.19 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2ore s PRO 222 CO -0.07 -0.79 -0.05 0.08 0.04 0.00 0.00 177.00 176.21 2ore s VAL 223 N -1.18 0.38 -0.07 -0.36 1.01 -1.00 -1.91 120.40 117.26 2ore s VAL 223 Ca 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2ore s VAL 223 Cb -0.45 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2ore s VAL 223 CO 0.58 -0.08 -0.05 -0.22 0.00 0.00 0.00 175.10 175.33 2ore s LEU 224 N -0.61 1.19 0.04 3.92 2.96 -0.04 -0.35 118.68 125.78 2ore s LEU 224 Ca -0.03 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 2ore s LEU 224 Cb -0.05 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 2ore s LEU 224 CO -0.00 -0.08 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.10 2ore s ILE 225 N 1.28 2.50 -0.09 6.68 1.01 -0.04 -0.37 121.20 132.17 2ore s ILE 225 Ca -0.05 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.39 2ore s ILE 225 Cb -0.14 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 2ore s ILE 225 CO -0.02 0.37 -0.19 -0.55 0.00 0.00 0.00 174.94 174.55 2ore s SER 226 N -1.29 3.52 0.09 3.58 0.15 -0.28 -0.95 113.70 118.52 2ore s SER 226 Ca 0.13 -0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.11 2ore s SER 226 Cb -0.10 -1.17 0.08 0.00 -1.71 0.00 0.00 66.02 63.12 2ore s SER 226 CO 0.03 0.22 0.95 0.21 1.20 0.00 0.00 173.24 175.86 2ore s ASN 227 N -0.02 -0.23 0.89 5.45 3.84 -0.81 -4.17 114.94 119.89 2ore s ASN 227 Ca -0.06 -0.25 -0.10 0.00 0.21 0.00 0.00 52.86 52.65 2ore s ASN 227 Cb -0.15 0.44 0.13 0.00 -0.55 0.00 0.00 41.25 41.12 2ore s ASN 227 CO 0.05 -0.78 1.15 -1.00 -2.79 0.00 0.00 177.10 173.73 2ore s HIS 228 N -3.18 1.70 -0.69 0.43 3.76 -1.26 0.98 115.29 117.02 2ore s HIS 228 Ca 0.10 1.77 -0.17 0.00 -0.15 0.00 0.00 55.06 56.61 2ore s HIS 228 Cb -0.01 -3.34 0.14 0.00 1.11 0.00 0.00 32.58 30.48 2ore s HIS 228 CO -0.02 -2.75 0.74 0.34 -0.85 0.00 0.00 174.74 172.21 2ore s ASP 229 N -2.67 6.39 0.20 1.40 2.15 0.15 -4.24 116.67 120.05 2ore s ASP 229 Ca 0.67 -1.89 0.01 0.00 0.43 0.00 0.00 52.55 51.77 2ore s ASP 229 Cb -0.23 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 2ore s ASP 229 CO 0.57 -0.93 0.07 0.42 -0.17 0.00 0.00 175.17 175.12 2ore s THR 230 N 1.89 0.42 0.28 1.71 -4.23 -1.26 -4.66 115.64 109.79 2ore s THR 230 Ca 0.14 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2ore s THR 230 Cb -0.19 -2.36 0.28 0.00 1.34 0.00 0.00 72.50 71.56 2ore s THR 230 CO -0.00 -0.22 1.71 -0.03 -0.54 0.00 0.00 174.62 175.54 2ore h MET 231 N 2.60 0.43 0.79 3.99 4.05 -1.94 -1.86 114.93 122.98 2ore h MET 231 Ca -0.37 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 58.99 2ore h MET 231 Cb 1.23 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 31.94 2ore h MET 231 CO 0.60 0.28 -0.38 -0.07 0.23 0.00 0.00 176.91 177.57 2ore h LEU 232 N 0.44 -0.90 -1.26 3.39 3.38 -1.96 -2.12 115.31 116.28 2ore h LEU 232 Ca 0.53 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.65 2ore h LEU 232 Cb 0.96 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 2ore h LEU 232 CO -0.49 -0.60 0.57 0.71 0.09 0.00 0.00 178.44 178.72 2ore h THR 233 N -1.15 0.87 -0.33 0.22 1.35 -1.75 0.71 112.91 112.84 2ore h THR 233 Ca -0.11 -0.26 -0.11 0.00 -0.55 0.00 0.00 66.41 65.38 2ore h THR 233 Cb 0.83 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 2ore h THR 233 CO 0.18 0.14 -0.26 0.03 -0.25 0.00 0.00 175.52 175.35 2ore h ARG 234 N 0.75 0.66 0.59 4.72 3.08 -1.28 -0.32 114.38 122.58 2ore h ARG 234 Ca 0.44 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2ore h ARG 234 Cb 0.62 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.65 2ore h ARG 234 CO -0.20 0.86 -0.28 1.49 -1.07 0.00 0.00 179.97 180.77 2ore h GLU 235 N 0.58 -0.76 -0.13 0.04 4.57 -0.35 -3.04 114.58 115.48 2ore h GLU 235 Ca 0.08 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2ore h GLU 235 Cb 0.75 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.45 2ore h GLU 235 CO 0.06 -0.46 -0.37 -1.49 -1.18 0.00 0.00 179.01 175.56 2ore h TRP 236 N -1.12 -1.05 -0.40 0.92 6.55 -0.90 -2.60 115.95 117.35 2ore h TRP 236 Ca -0.08 0.04 -0.26 0.00 0.95 0.00 0.00 58.89 59.54 2ore h TRP 236 Cb 0.65 0.48 -0.11 0.00 -0.86 0.00 0.00 29.16 29.33 2ore h TRP 236 CO 0.01 -0.44 0.27 0.66 -1.05 0.00 0.00 178.44 177.88 2ore n TYR 237 N -5.43 1.10 0.18 0.49 0.53 -0.14 -4.53 117.16 109.36 2ore n TYR 237 Ca -0.04 -1.71 0.06 0.00 -1.02 0.00 0.00 57.90 55.19 2ore n TYR 237 Cb 0.35 -0.93 0.22 0.00 -1.03 0.00 0.00 39.34 37.95 2ore n TYR 237 CO 0.00 0.00 0.00 -0.56 -1.02 0.00 0.00 176.86 175.28 2ore h GLN 238 N 1.62 0.00 -0.69 -0.72 3.07 -1.34 -3.24 115.11 113.81 2ore h GLN 238 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.97 2ore h GLN 238 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.51 2ore h GLN 238 CO 0.56 0.36 0.00 0.54 0.09 0.00 0.00 178.83 180.38 2ore n ARG 239 N -3.32 2.75 -4.19 0.06 1.74 -1.26 -4.90 116.66 107.55 2ore n ARG 239 Ca 0.01 -1.57 -0.19 0.00 -0.77 0.00 0.00 57.85 55.34 2ore n ARG 239 Cb 0.59 -1.76 -0.12 0.00 -1.02 0.00 0.00 32.46 30.15 2ore n ARG 239 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ore s ALA 240 N -1.81 1.24 -0.11 7.54 0.00 -1.22 -4.94 121.76 122.45 2ore s ALA 240 Ca 0.27 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2ore s ALA 240 Cb 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.12 2ore s ALA 240 CO 0.10 0.19 2.07 1.63 0.00 0.00 0.00 175.76 179.75 2ore n LYS 241 N 1.27 2.27 -3.77 0.00 5.02 -0.43 -4.71 118.16 117.81 2ore n LYS 241 Ca -0.21 0.75 -0.36 0.00 -2.02 0.00 0.00 58.31 56.48 2ore n LYS 241 Cb 0.54 -3.00 -0.06 0.00 -0.02 0.00 0.00 35.03 32.50 2ore n LYS 241 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ore s LEU 242 N 6.11 4.39 -0.04 -0.35 1.43 -1.26 -1.04 118.68 127.92 2ore s LEU 242 Ca 0.96 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 2ore s LEU 242 Cb -0.47 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.30 2ore s LEU 242 CO 0.42 0.31 -0.01 -1.00 0.23 0.00 0.00 176.35 176.30 2ore s HIS 243 N -1.19 0.44 -0.22 0.29 3.76 -0.35 -5.00 115.29 113.02 2ore s HIS 243 Ca 0.23 -0.05 -0.10 0.00 -0.15 0.00 0.00 55.06 54.99 2ore s HIS 243 Cb -0.13 -0.51 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 2ore s HIS 243 CO 0.12 -0.17 0.13 0.08 -0.85 0.00 0.00 174.74 174.05 2ore s VAL 244 N 1.15 5.24 -0.16 -0.90 1.01 -1.26 -0.78 120.40 124.70 2ore s VAL 244 Ca -0.08 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2ore s VAL 244 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2ore s VAL 244 CO -0.02 0.40 0.03 0.54 0.00 0.00 0.00 175.10 176.05 2ore s VAL 245 N 0.71 4.49 0.88 2.92 0.11 0.13 -5.00 120.40 124.64 2ore s VAL 245 Ca 0.07 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.86 2ore s VAL 245 Cb -0.12 -2.99 0.12 0.00 -1.53 0.00 0.00 36.38 31.85 2ore s VAL 245 CO 0.01 0.49 1.09 -0.54 -3.33 0.00 0.00 175.10 172.83 2ore s LYS 246 N 0.18 1.42 0.00 1.54 3.01 -1.26 -1.86 119.74 122.77 2ore s LYS 246 Ca 0.02 0.96 0.00 0.00 -1.01 0.00 0.00 55.97 55.95 2ore s LYS 246 Cb -0.13 -1.82 0.00 0.00 -1.01 0.00 0.00 37.83 34.88 2ore s LYS 246 CO 0.01 -2.17 0.00 1.55 0.51 0.00 0.00 175.35 175.25 2ore n VAL 247 N -3.86 0.00 -0.47 3.17 3.14 -1.26 -4.75 118.33 114.30 2ore n VAL 247 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2ore n VAL 247 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 2ore n VAL 247 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2ore n LYS 260 N 0.00 -1.36 -2.17 1.45 3.00 -1.26 -4.69 118.16 113.13 2ore n LYS 260 Ca 0.00 1.01 -0.27 0.00 -0.00 0.00 0.00 58.31 59.04 2ore n LYS 260 Cb 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 35.03 33.95 2ore n LYS 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2ore s VAL 261 N -2.28 3.00 0.45 3.15 1.01 -1.26 -5.08 120.40 119.40 2ore s VAL 261 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2ore s VAL 261 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2ore s VAL 261 CO 0.00 -0.30 0.78 -1.81 0.00 0.00 0.00 175.10 173.77 2ore s ASP 262 N -4.41 6.37 0.03 3.32 1.01 -1.26 -4.94 116.67 116.79 2ore s ASP 262 Ca 0.58 1.02 -0.02 0.00 0.71 0.00 0.00 52.55 54.84 2ore s ASP 262 Cb -0.11 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2ore s ASP 262 CO 0.47 -0.51 0.21 -1.61 0.21 0.00 0.00 175.17 173.94 2ore s GLU 263 N -4.37 3.46 -0.03 8.23 0.41 -0.78 0.33 118.70 125.96 2ore s GLU 263 Ca 0.49 -0.35 0.06 0.00 -0.41 0.00 0.00 54.97 54.77 2ore s GLU 263 Cb -0.10 -3.06 -0.02 0.00 -1.78 0.00 0.00 34.13 29.16 2ore s GLU 263 CO 0.39 0.64 -0.21 -1.17 -0.49 0.00 0.00 175.26 174.42 2ore s LEU 264 N -2.20 2.37 -0.16 1.80 2.96 0.27 -0.70 118.68 123.03 2ore s LEU 264 Ca 0.31 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2ore s LEU 264 Cb -0.13 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.14 2ore s LEU 264 CO 0.23 0.33 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.64 2ore s LEU 265 N -0.73 1.94 -0.26 -0.68 1.43 0.04 -1.92 118.68 118.50 2ore s LEU 265 Ca 0.11 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2ore s LEU 265 Cb -0.10 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.79 2ore s LEU 265 CO 0.00 -0.01 0.01 0.00 0.23 0.00 0.00 176.35 176.59 2ore s ALA 266 N 1.26 2.91 -0.22 4.21 0.00 -0.13 -1.21 121.76 128.58 2ore s ALA 266 Ca 0.02 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 2ore s ALA 266 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 2ore s ALA 266 CO -0.10 -0.75 0.06 -1.17 0.00 0.00 0.00 175.76 173.80 2ore s LEU 267 N 1.45 3.54 -0.65 0.00 2.96 -0.21 -0.86 118.68 124.91 2ore s LEU 267 Ca 0.03 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 2ore s LEU 267 Cb -0.16 -1.93 0.17 0.00 0.50 0.00 0.00 46.19 44.77 2ore s LEU 267 CO -0.01 0.04 0.55 -0.31 -1.32 0.00 0.00 176.35 175.30 2ore s TYR 268 N 1.19 3.52 0.04 5.38 1.51 0.52 -1.32 117.35 128.20 2ore s TYR 268 Ca 0.04 -2.02 -0.05 0.00 -1.01 0.00 0.00 57.07 54.03 2ore s TYR 268 Cb -0.14 -3.60 -0.05 0.00 -0.11 0.00 0.00 41.96 38.06 2ore s TYR 268 CO 0.03 -0.96 0.28 0.15 -1.11 0.00 0.00 175.55 173.94 2ore s LYS 269 N 0.63 3.56 0.00 -0.62 1.02 -1.26 -2.37 119.74 120.70 2ore s LYS 269 Ca 0.12 -0.14 0.19 0.00 0.02 0.00 0.00 55.97 56.16 2ore s LYS 269 Cb -0.19 -3.03 1.13 0.00 -0.52 0.00 0.00 37.83 35.22 2ore s LYS 269 CO -0.04 0.61 1.53 -2.30 -0.92 0.00 0.00 175.35 174.23