#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 5.93 0.67 4.39 0.01 -1.26 -5.07 114.94 119.60 2ore s ASN 4 Ca 0.00 -0.20 -0.15 0.00 -0.71 0.00 0.00 52.86 51.80 2ore s ASN 4 Cb 0.00 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.57 2ore s ASN 4 CO 0.00 -0.12 1.13 0.00 -1.51 0.00 0.00 177.10 176.60 2ore s ARG 5 N 1.73 2.69 0.11 -0.60 1.70 -1.26 -4.82 118.95 118.50 2ore s ARG 5 Ca 0.06 1.45 -0.18 0.00 -0.47 0.00 0.00 55.73 56.59 2ore s ARG 5 Cb -0.16 -1.93 -0.07 0.00 -0.57 0.00 0.00 34.95 32.21 2ore s ARG 5 CO 0.10 -1.35 0.59 0.00 -1.08 0.00 0.00 175.30 173.56 2ore s ALA 6 N -2.28 3.56 -0.03 7.88 0.00 -1.26 -4.86 121.76 124.77 2ore s ALA 6 Ca 0.68 0.02 0.31 0.00 0.00 0.00 0.00 51.96 52.97 2ore s ALA 6 Cb -0.22 -2.64 1.36 0.00 0.00 0.00 0.00 23.12 21.62 2ore s ALA 6 CO 0.42 0.40 1.93 0.27 0.00 0.00 0.00 175.76 178.78 2ore h PHE 7 N 4.14 0.00 -1.97 0.00 -5.15 -1.85 -3.44 116.94 108.68 2ore h PHE 7 Ca -0.49 0.00 -0.45 0.00 -0.20 0.00 0.00 57.97 56.83 2ore h PHE 7 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.37 2ore h PHE 7 CO 0.67 0.00 -0.38 -0.51 -2.00 0.00 0.00 178.31 176.08 2ore s LEU 8 N -5.57 4.11 -0.36 2.10 1.43 -1.26 -4.80 118.68 114.34 2ore s LEU 8 Ca 0.01 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 2ore s LEU 8 Cb 0.09 -2.78 0.02 0.00 0.03 0.00 0.00 46.19 43.55 2ore s LEU 8 CO 0.46 -0.27 0.20 -0.54 0.23 0.00 0.00 176.35 176.43 2ore s LYS 9 N -4.08 3.00 0.08 1.70 1.02 -1.26 -5.02 119.74 115.17 2ore s LYS 9 Ca 0.40 -0.96 0.10 0.00 0.02 0.00 0.00 55.97 55.53 2ore s LYS 9 Cb -0.09 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2ore s LYS 9 CO 0.30 -0.61 -0.26 -0.46 -0.92 0.00 0.00 175.35 173.40 2ore s TRP 10 N 1.58 2.33 0.43 3.18 -0.00 -1.26 -4.77 118.94 120.43 2ore s TRP 10 Ca 0.03 -0.39 -0.25 0.00 -0.00 0.00 0.00 56.10 55.49 2ore s TRP 10 Cb -0.18 -1.33 -0.10 0.00 -0.00 0.00 0.00 33.47 31.85 2ore s TRP 10 CO 0.07 0.23 1.19 0.00 -0.00 0.00 0.00 176.95 178.44 2ore n ALA 11 N 1.38 0.95 0.00 5.86 0.00 -1.26 -3.74 120.51 123.71 2ore n ALA 11 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2ore n ALA 11 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2ore n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ore n GLY 12 N 0.93 2.04 0.00 0.00 0.00 -1.26 -4.83 105.19 102.07 2ore n GLY 12 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.26 0.21 -0.02 0.00 -1.24 -4.95 105.19 99.44 2ore n GLY 13 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2ore n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ore h LYS 14 N 0.00 0.67 -0.97 1.61 1.57 -1.90 -3.19 116.57 114.35 2ore h LYS 14 Ca 0.00 -0.54 0.20 0.00 -1.87 0.00 0.00 60.65 58.44 2ore h LYS 14 Cb 0.00 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 2ore h LYS 14 CO 0.00 1.16 0.61 1.88 -0.57 0.00 0.00 179.45 182.53 2ore h TYR 15 N 0.45 0.85 0.00 -1.35 0.05 -1.95 -1.90 116.97 113.12 2ore h TYR 15 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2ore h TYR 15 Cb 1.37 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.85 2ore h TYR 15 CO 0.07 0.20 0.00 -2.30 -1.05 0.00 0.00 178.16 175.08 2ore n PRO 16 N -4.65 0.19 0.00 4.88 -0.02 -1.20 -0.63 135.00 133.56 2ore n PRO 16 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2ore n PRO 16 Cb 0.63 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2ore n PRO 16 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2ore n LEU 17 N 1.58 0.00 -0.26 2.45 7.94 -0.87 -5.05 117.00 122.79 2ore n LEU 17 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 2ore n LEU 17 Cb 0.10 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.26 2ore n LEU 17 CO 0.00 0.00 0.96 0.25 -1.11 0.00 0.00 177.39 177.49 2ore h LEU 18 N 0.00 0.09 -0.35 -1.96 5.85 -0.11 -2.38 115.31 116.44 2ore h LEU 18 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2ore h LEU 18 Cb 0.00 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2ore h LEU 18 CO 0.00 -0.03 0.18 0.44 -0.34 0.00 0.00 178.44 178.69 2ore h ASP 19 N 0.30 0.45 0.55 1.25 3.45 -1.90 -2.66 116.42 117.86 2ore h ASP 19 Ca 0.45 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.80 2ore h ASP 19 Cb 0.80 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.45 2ore h ASP 19 CO -0.52 0.43 -0.06 0.44 -1.57 0.00 0.00 179.24 177.96 2ore h ASP 20 N 0.44 0.00 0.14 6.45 3.32 -1.83 -2.13 116.42 122.81 2ore h ASP 20 Ca 0.12 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.88 2ore h ASP 20 Cb 0.09 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.67 2ore h ASP 20 CO -0.02 0.06 -1.25 0.40 -1.72 0.00 0.00 179.24 176.71 2ore h ILE 21 N 0.00 1.30 0.00 0.35 2.04 -1.25 -3.07 117.51 116.87 2ore h ILE 21 Ca -0.00 -2.49 -0.06 0.00 1.00 0.00 0.00 64.86 63.31 2ore h ILE 21 Cb 0.34 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2ore h ILE 21 CO 0.01 0.75 -0.28 0.11 0.00 0.00 0.00 178.15 178.74 2ore h LYS 22 N 0.21 0.00 -0.18 2.37 1.57 -1.26 -1.77 116.57 117.51 2ore h LYS 22 Ca -0.20 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 2ore h LYS 22 Cb 1.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 2ore h LYS 22 CO 0.24 0.28 -0.15 0.00 -0.57 0.00 0.00 179.45 179.24 2ore h ARG 23 N 0.00 0.29 -0.16 3.15 2.47 -1.30 -3.08 114.38 115.75 2ore h ARG 23 Ca -0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2ore h ARG 23 Cb 0.68 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 2ore h ARG 23 CO 0.04 0.45 0.00 0.72 0.56 0.00 0.00 179.97 181.74 2ore n HIS 24 N -4.23 0.27 -2.88 3.04 8.25 -1.08 -4.97 115.22 113.62 2ore n HIS 24 Ca -0.00 -0.59 -0.43 0.00 -0.26 0.00 0.00 57.72 56.44 2ore n HIS 24 Cb 0.30 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.37 4.11 0.82 2.41 2.96 -0.69 -4.96 118.68 121.96 2ore s LEU 25 Ca 0.16 0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.97 2ore s LEU 25 Cb 0.11 -3.10 -0.00 0.00 0.50 0.00 0.00 46.19 43.69 2ore s LEU 25 CO 0.07 -0.99 0.52 -2.65 -1.32 0.00 0.00 176.35 171.98 2ore n PRO 26 N 6.97 0.05 -2.82 0.98 -0.02 -1.26 -4.98 135.00 133.93 2ore n PRO 26 Ca 0.05 0.07 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 2ore n PRO 26 Cb 0.48 -1.88 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 2ore n PRO 26 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2ore s LYS 27 N -3.21 3.55 0.00 -0.52 0.00 -1.26 -5.01 119.74 113.28 2ore s LYS 27 Ca 0.62 0.11 0.00 0.00 0.00 0.00 0.00 55.97 56.70 2ore s LYS 27 Cb -0.29 -2.44 0.00 0.00 0.00 0.00 0.00 37.83 35.10 2ore s LYS 27 CO 0.61 -0.11 0.00 0.41 0.00 0.00 0.00 175.35 176.26 2ore n GLY 28 N -2.06 -1.03 0.07 0.59 0.00 -1.26 -4.94 105.19 96.56 2ore n GLY 28 Ca -0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.04 -6.41 1.61 5.08 -1.68 -3.42 114.58 109.72 2ore h GLU 29 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2ore h GLU 29 Cb 0.00 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 29.05 2ore h GLU 29 CO 0.00 0.47 -0.77 0.00 -1.00 0.00 0.00 179.01 177.71 2ore s LEU 31 N -1.17 3.06 -0.20 0.00 2.96 -0.99 -0.70 118.68 121.64 2ore s LEU 31 Ca 0.14 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2ore s LEU 31 Cb -0.11 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.90 2ore s LEU 31 CO 0.04 0.25 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.48 2ore s VAL 32 N -0.13 2.44 -0.40 1.68 1.01 0.31 -1.72 120.40 123.59 2ore s VAL 32 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2ore s VAL 32 Cb -0.13 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 34.28 2ore s VAL 32 CO 0.03 0.48 0.18 -1.61 0.00 0.00 0.00 175.10 174.18 2ore s GLU 33 N 1.33 1.92 0.55 2.72 2.02 -0.63 -1.11 118.70 125.50 2ore s GLU 33 Ca 0.05 -1.86 0.26 0.00 0.02 0.00 0.00 54.97 53.43 2ore s GLU 33 Cb -0.14 -3.52 1.59 0.00 0.10 0.00 0.00 34.13 32.17 2ore s GLU 33 CO -0.10 -1.05 2.18 -1.35 0.02 0.00 0.00 175.26 174.96 2ore h PRO 34 N 7.92 0.00 -1.89 0.39 0.11 -1.81 -1.57 132.00 135.15 2ore h PRO 34 Ca -0.11 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.46 2ore h PRO 34 Cb 1.04 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.73 2ore h PRO 34 CO 0.67 0.04 -0.83 1.19 -0.21 0.00 0.00 178.00 178.85 2ore n PHE 35 N -3.97 2.86 -0.20 0.65 3.01 -1.22 -3.80 117.46 114.78 2ore n PHE 35 Ca -0.03 -3.60 0.13 0.00 1.01 0.00 0.00 57.45 54.97 2ore n PHE 35 Cb 0.13 -0.36 0.25 0.00 -0.01 0.00 0.00 39.48 39.49 2ore n PHE 35 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 2ore n VAL 36 N -0.19 -0.26 -4.01 -4.37 3.14 0.66 -4.71 118.33 108.59 2ore n VAL 36 Ca 0.30 1.30 0.00 0.00 -2.96 0.00 0.00 64.34 62.98 2ore n VAL 36 Cb 0.56 -1.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.36 2ore n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ore n GLY 37 N -1.25 2.73 0.09 7.55 0.00 -1.26 -2.19 105.19 110.86 2ore n GLY 37 Ca 0.18 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 9.36 2.12 -0.53 4.61 0.00 -1.26 -4.93 120.51 129.88 2ore n ALA 38 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ore n ALA 38 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 0.98 0.72 0.26 0.00 0.00 -0.93 -4.73 105.19 101.48 2ore n GLY 39 Ca 0.05 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.05 -0.42 1.61 0.02 -1.92 -0.15 113.55 112.63 2ore h SER 40 Ca 0.00 0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 2ore h SER 40 Cb 0.00 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2ore h SER 40 CO 0.00 -0.05 -0.19 0.58 -1.14 0.00 0.00 176.83 176.03 2ore h VAL 41 N 0.23 1.28 -0.08 2.27 2.07 -1.93 -2.60 116.25 117.48 2ore h VAL 41 Ca 0.38 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2ore h VAL 41 Cb 0.64 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2ore h VAL 41 CO -0.50 0.45 0.05 0.15 0.02 0.00 0.00 177.57 177.74 2ore h PHE 42 N 0.70 0.11 0.00 1.57 3.57 -1.70 -2.85 116.94 118.34 2ore h PHE 42 Ca 0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2ore h PHE 42 Cb 0.75 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2ore h PHE 42 CO 0.06 0.10 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.08 2ore h LEU 43 N 0.09 0.00 -3.77 0.59 3.38 -1.05 -3.17 115.31 111.38 2ore h LEU 43 Ca 0.03 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.48 2ore h LEU 43 Cb 0.02 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.46 2ore h LEU 43 CO -0.01 0.09 -0.03 0.59 0.09 0.00 0.00 178.44 179.16 2ore n ASN 44 N -3.44 5.35 -3.97 -0.43 3.02 -0.98 -4.75 115.26 110.05 2ore n ASN 44 Ca -0.01 -3.77 -0.10 0.00 -0.03 0.00 0.00 54.58 50.67 2ore n ASN 44 Cb 0.23 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.69 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 -4.37 0.07 -0.45 3.41 -4.23 -1.20 -4.99 115.64 103.88 2ore s THR 45 Ca 0.55 -1.42 0.07 0.00 -1.18 0.00 0.00 61.69 59.71 2ore s THR 45 Cb 0.45 -1.86 0.40 0.00 1.34 0.00 0.00 72.50 72.83 2ore s THR 45 CO 0.02 -0.31 1.03 0.47 -0.54 0.00 0.00 174.62 175.28 2ore n ASP 46 N -0.21 3.95 -4.81 3.99 10.43 -1.26 -5.00 116.55 123.64 2ore n ASP 46 Ca -0.07 -3.52 -0.31 0.00 2.57 0.00 0.00 54.79 53.45 2ore n ASP 46 Cb 0.63 -0.50 0.05 0.00 1.84 0.00 0.00 41.12 43.13 2ore n ASP 46 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2ore s PHE 47 N -3.40 3.03 0.05 1.24 0.40 -1.26 -4.96 117.98 113.08 2ore s PHE 47 Ca 0.45 1.46 -0.20 0.00 -0.60 0.00 0.00 56.93 58.03 2ore s PHE 47 Cb 0.38 -2.93 -0.12 0.00 0.51 0.00 0.00 43.02 40.85 2ore s PHE 47 CO -0.14 -1.27 1.42 1.03 0.70 0.00 0.00 175.22 176.96 2ore h SER 48 N -0.49 0.36 -4.18 1.36 0.87 -1.62 -3.46 113.55 106.39 2ore h SER 48 Ca -0.44 -0.40 -0.35 0.00 -1.23 0.00 0.00 61.79 59.37 2ore h SER 48 Cb 1.21 -0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 62.93 2ore h SER 48 CO 0.56 0.68 -0.65 -0.13 -0.53 0.00 0.00 176.83 176.76 2ore s ARG 49 N -4.62 1.29 -0.09 2.24 0.52 -1.02 -4.86 118.95 112.41 2ore s ARG 49 Ca -0.14 -1.66 -0.08 0.00 -0.52 0.00 0.00 55.73 53.34 2ore s ARG 49 Cb 0.06 -0.44 0.03 0.00 0.52 0.00 0.00 34.95 35.11 2ore s ARG 49 CO 0.74 -0.15 0.24 0.71 0.02 0.00 0.00 175.30 176.86 2ore s TYR 50 N -3.56 -0.28 -0.24 -0.53 1.51 -0.02 -2.35 117.35 111.89 2ore s TYR 50 Ca 0.29 0.68 0.01 0.00 -1.01 0.00 0.00 57.07 57.04 2ore s TYR 50 Cb 0.06 0.08 0.04 0.00 -0.11 0.00 0.00 41.96 42.03 2ore s TYR 50 CO 0.08 -0.15 -0.12 0.42 -1.11 0.00 0.00 175.55 174.67 2ore s ILE 51 N 0.40 2.34 -0.12 2.71 1.01 -0.70 -0.51 121.20 126.34 2ore s ILE 51 Ca -0.02 -1.29 0.03 0.00 0.00 0.00 0.00 60.65 59.37 2ore s ILE 51 Cb -0.04 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2ore s ILE 51 CO -0.02 0.18 -0.23 -0.76 0.00 0.00 0.00 174.94 174.11 2ore s LEU 52 N 1.21 2.11 0.22 2.97 1.43 -0.03 -1.61 118.68 124.98 2ore s LEU 52 Ca -0.03 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2ore s LEU 52 Cb -0.17 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 2ore s LEU 52 CO -0.07 0.12 -0.05 0.00 0.23 0.00 0.00 176.35 176.58 2ore s ALA 53 N 0.58 1.82 -0.22 4.21 0.00 -0.61 -0.57 121.76 126.97 2ore s ALA 53 Ca -0.13 -1.71 -0.28 0.00 0.00 0.00 0.00 51.96 49.84 2ore s ALA 53 Cb -0.17 0.29 0.14 0.00 0.00 0.00 0.00 23.12 23.39 2ore s ALA 53 CO 0.03 -0.16 1.10 0.34 0.00 0.00 0.00 175.76 177.07 2ore s ASP 54 N -3.29 -0.31 0.42 0.00 -1.08 -0.96 -0.25 116.67 111.20 2ore s ASP 54 Ca 0.25 0.43 0.23 0.00 -0.52 0.00 0.00 52.55 52.94 2ore s ASP 54 Cb 0.04 0.38 0.79 0.00 -1.46 0.00 0.00 42.92 42.67 2ore s ASP 54 CO 0.07 -0.22 1.77 -0.29 0.52 0.00 0.00 175.17 177.02 2ore h ILE 55 N 2.78 0.58 -3.07 4.11 6.09 -1.84 -2.88 117.51 123.27 2ore h ILE 55 Ca -0.20 -1.26 -0.57 0.00 -1.37 0.00 0.00 64.86 61.47 2ore h ILE 55 Cb 1.17 1.86 -0.04 0.00 0.47 0.00 0.00 36.82 40.28 2ore h ILE 55 CO 0.24 0.25 1.03 0.21 -3.07 0.00 0.00 178.15 176.80 2ore s ASN 56 N -6.23 6.54 0.17 2.19 3.84 -1.26 -4.83 114.94 115.36 2ore s ASN 56 Ca 0.01 1.24 -0.07 0.00 0.21 0.00 0.00 52.86 54.26 2ore s ASN 56 Cb 0.10 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.29 2ore s ASN 56 CO 0.65 -1.19 1.47 0.77 -2.79 0.00 0.00 177.10 176.01 2ore h SER 57 N 9.92 0.77 -0.53 -4.21 4.64 -1.97 -3.03 113.55 119.15 2ore h SER 57 Ca -0.28 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 60.61 2ore h SER 57 Cb 1.11 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 2ore h SER 57 CO 1.03 1.16 0.28 0.44 -0.87 0.00 0.00 176.83 178.87 2ore h ASP 58 N 0.54 0.69 -0.23 4.97 3.45 -1.98 -0.62 116.42 123.24 2ore h ASP 58 Ca 0.02 -0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.36 2ore h ASP 58 Cb 1.10 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 2ore h ASP 58 CO 0.11 0.58 -0.08 0.25 -1.57 0.00 0.00 179.24 178.54 2ore h LEU 59 N 0.78 0.46 -0.21 1.55 5.85 -1.95 -2.25 115.31 119.54 2ore h LEU 59 Ca 0.20 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2ore h LEU 59 Cb 0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2ore h LEU 59 CO -0.03 0.74 -0.09 0.40 -0.34 0.00 0.00 178.44 179.13 2ore h ILE 60 N 0.18 1.30 -0.21 4.05 1.08 -1.39 -1.88 117.51 120.64 2ore h ILE 60 Ca 0.06 -1.13 0.06 0.00 -0.39 0.00 0.00 64.86 63.45 2ore h ILE 60 Cb 0.55 1.60 -0.07 0.00 -3.07 0.00 0.00 36.82 35.83 2ore h ILE 60 CO 0.03 0.35 -0.33 -1.28 -0.69 0.00 0.00 178.15 176.22 2ore h SER 61 N 0.14 -1.05 -0.16 1.72 0.87 -1.14 0.18 113.55 114.11 2ore h SER 61 Ca 0.05 0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2ore h SER 61 Cb 0.57 0.46 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 2ore h SER 61 CO 0.03 -0.35 -0.28 0.25 -0.53 0.00 0.00 176.83 175.95 2ore h LEU 62 N -0.36 -0.91 -0.72 2.23 5.85 -1.31 -1.06 115.31 119.03 2ore h LEU 62 Ca 0.12 0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.11 2ore h LEU 62 Cb 0.55 0.37 -0.13 0.00 0.37 0.00 0.00 40.66 41.82 2ore h LEU 62 CO -0.41 -0.21 -0.01 1.88 -0.34 0.00 0.00 178.44 179.34 2ore h TYR 63 N -0.23 -0.08 -1.01 1.25 0.05 -0.53 0.19 116.97 116.62 2ore h TYR 63 Ca 0.03 0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.88 2ore h TYR 63 Cb 0.31 0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.15 2ore h TYR 63 CO -0.62 -0.23 0.67 -0.91 -1.05 0.00 0.00 178.16 176.02 2ore h ASN 64 N 0.10 1.15 0.18 3.88 2.35 -0.18 -0.17 115.58 122.89 2ore h ASN 64 Ca 0.39 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2ore h ASN 64 Cb 0.66 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2ore h ASN 64 CO -0.64 0.83 -0.09 0.40 -1.65 0.00 0.00 177.43 176.28 2ore h ILE 65 N 1.35 0.92 -0.88 2.81 2.04 0.51 0.44 117.51 124.71 2ore h ILE 65 Ca 0.37 -0.59 0.20 0.00 1.00 0.00 0.00 64.86 65.84 2ore h ILE 65 Cb -0.14 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2ore h ILE 65 CO -0.08 0.13 0.58 0.58 0.00 0.00 0.00 178.15 179.36 2ore h VAL 66 N -0.54 0.69 -0.03 1.67 2.07 -0.50 0.46 116.25 120.08 2ore h VAL 66 Ca -0.02 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2ore h VAL 66 Cb 0.41 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2ore h VAL 66 CO 0.04 0.07 -0.32 0.50 0.02 0.00 0.00 177.57 177.89 2ore h LYS 67 N 0.40 0.28 0.13 1.57 3.64 -0.68 -3.12 116.57 118.78 2ore h LYS 67 Ca 0.45 -0.25 -0.31 0.00 -1.27 0.00 0.00 60.65 59.27 2ore h LYS 67 Cb 1.13 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2ore h LYS 67 CO -0.17 0.92 -1.56 0.52 -2.27 0.00 0.00 179.45 176.90 2ore h MET 68 N -0.28 0.27 -1.33 1.90 2.86 -0.13 -3.40 114.93 114.82 2ore h MET 68 Ca -0.03 -0.45 -0.53 0.00 -2.06 0.00 0.00 59.70 56.62 2ore h MET 68 Cb 1.01 0.17 -0.42 0.00 0.06 0.00 0.00 31.60 32.42 2ore h MET 68 CO 0.06 1.13 -0.84 0.54 1.06 0.00 0.00 176.91 178.87 2ore n ARG 69 N -3.46 2.97 -0.20 1.72 1.74 0.15 -4.94 116.66 114.64 2ore n ARG 69 Ca -0.17 -4.22 -0.09 0.00 -0.77 0.00 0.00 57.85 52.60 2ore n ARG 69 Cb 1.05 -2.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 2ore n ARG 69 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2ore h THR 70 N 2.70 0.09 0.52 0.55 2.02 -1.62 -1.62 112.91 115.53 2ore h THR 70 Ca 0.22 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 2ore h THR 70 Cb 1.03 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2ore h THR 70 CO 0.76 0.00 -0.25 0.44 0.37 0.00 0.00 175.52 176.84 2ore h ASP 71 N -0.24 -0.59 -0.82 4.18 3.45 -1.92 -1.71 116.42 118.78 2ore h ASP 71 Ca 0.17 -0.03 0.20 0.00 0.43 0.00 0.00 57.03 57.80 2ore h ASP 71 Cb 0.56 0.15 -0.13 0.00 -0.56 0.00 0.00 39.33 39.36 2ore h ASP 71 CO -0.68 -0.33 0.21 -0.08 -1.57 0.00 0.00 179.24 176.79 2ore h GLU 72 N -0.82 0.24 0.68 3.56 4.81 -1.94 -2.52 114.58 118.59 2ore h GLU 72 Ca -0.07 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2ore h GLU 72 Cb 0.58 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.92 2ore h GLU 72 CO 0.12 0.16 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.31 2ore h TYR 73 N 0.24 -0.85 -1.50 0.92 3.20 -1.15 -2.84 116.97 114.99 2ore h TYR 73 Ca 0.49 -0.02 0.45 0.00 3.14 0.00 0.00 58.73 62.79 2ore h TYR 73 Cb 0.92 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 39.37 2ore h TYR 73 CO -0.27 -0.53 1.04 0.28 -1.64 0.00 0.00 178.16 177.04 2ore h VAL 74 N -0.99 0.16 0.23 1.81 2.07 -0.90 0.35 116.25 118.98 2ore h VAL 74 Ca -0.09 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2ore h VAL 74 Cb 0.70 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2ore h VAL 74 CO 0.15 0.01 -0.11 -0.61 0.02 0.00 0.00 177.57 177.03 2ore h GLN 75 N 0.06 -0.30 -0.69 1.57 4.15 -1.40 -1.60 115.11 116.89 2ore h GLN 75 Ca 0.80 0.02 0.08 0.00 0.77 0.00 0.00 58.65 60.32 2ore h GLN 75 Cb 2.86 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 30.58 2ore h GLN 75 CO -0.19 0.00 0.46 0.00 -1.93 0.00 0.00 178.83 177.16 2ore h ALA 76 N -0.67 1.80 0.04 3.38 0.00 -0.60 -2.09 119.26 121.11 2ore h ALA 76 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ore h ALA 76 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ore h ALA 76 CO 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 2ore h ALA 77 N 1.64 -0.05 -1.00 0.00 0.00 -0.51 -3.21 119.26 116.13 2ore h ALA 77 Ca 0.31 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.21 2ore h ALA 77 Cb 0.35 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 2ore h ALA 77 CO -0.10 -0.33 0.61 -0.09 0.00 0.00 0.00 179.25 179.34 2ore h ARG 78 N -0.45 0.73 -0.36 0.00 2.43 -0.63 -1.91 114.38 114.20 2ore h ARG 78 Ca -0.01 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2ore h ARG 78 Cb 0.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2ore h ARG 78 CO 0.01 0.49 0.31 1.49 -1.51 0.00 0.00 179.97 180.75 2ore h GLU 79 N 0.76 0.00 -0.00 0.20 4.81 -1.43 -1.49 114.58 117.43 2ore h GLU 79 Ca 0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 2ore h GLU 79 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2ore h GLU 79 CO -0.36 0.00 -0.20 1.28 -0.73 0.00 0.00 179.01 179.00 2ore n LEU 80 N -4.09 0.50 -2.30 1.64 4.32 -0.72 -4.00 117.00 112.35 2ore n LEU 80 Ca 0.06 0.04 -0.34 0.00 -0.02 0.00 0.00 56.01 55.75 2ore n LEU 80 Cb 0.48 -0.23 0.08 0.00 -1.62 0.00 0.00 43.42 42.13 2ore n LEU 80 CO 0.32 0.10 1.38 0.49 -1.22 0.00 0.00 177.39 178.46 2ore n PHE 81 N -1.10 3.20 -2.82 -1.77 3.01 -0.56 -4.73 117.46 112.69 2ore n PHE 81 Ca 0.11 -2.93 -0.20 0.00 1.01 0.00 0.00 57.45 55.44 2ore n PHE 81 Cb 0.31 -1.37 0.05 0.00 -0.01 0.00 0.00 39.48 38.46 2ore n PHE 81 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2ore s VAL 82 N -4.73 2.49 0.11 -4.37 -7.23 -1.26 -5.00 120.40 100.40 2ore s VAL 82 Ca 0.64 -0.81 0.25 0.00 -1.81 0.00 0.00 61.98 60.25 2ore s VAL 82 Cb 0.50 -2.67 0.26 0.00 0.56 0.00 0.00 36.38 35.03 2ore s VAL 82 CO -0.00 0.00 1.84 -0.65 -0.31 0.00 0.00 175.10 175.98 2ore h PRO 83 N 0.09 0.00 0.00 4.82 0.11 -1.95 -3.11 132.00 131.96 2ore h PRO 83 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2ore h PRO 83 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ore h PRO 83 CO 0.45 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 2ore n GLU 84 N -3.33 0.07 -0.13 1.05 4.71 -1.26 -2.80 120.64 118.96 2ore n GLU 84 Ca 0.00 0.33 0.04 0.00 -0.01 0.00 0.00 57.16 57.53 2ore n GLU 84 Cb 0.42 -1.64 0.11 0.00 -1.01 0.00 0.00 31.44 29.31 2ore n GLU 84 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2ore n THR 85 N -1.78 1.29 -3.04 2.62 -2.24 -1.18 -4.84 114.28 105.10 2ore n THR 85 Ca 0.03 -1.28 -0.40 0.00 -2.27 0.00 0.00 64.05 60.13 2ore n THR 85 Cb 0.18 0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2ore n THR 85 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ore n ASN 86 N -0.25 6.07 -3.58 3.42 5.15 -1.12 -4.55 115.26 120.39 2ore n ASN 86 Ca 0.09 -3.44 -0.15 0.00 -0.60 0.00 0.00 54.58 50.48 2ore n ASN 86 Cb 0.45 -1.16 -0.07 0.00 -0.53 0.00 0.00 39.78 38.47 2ore n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ore h ALA 88 N 4.02 0.85 -0.92 0.00 0.00 -1.99 0.36 119.26 121.58 2ore h ALA 88 Ca -0.28 0.27 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2ore h ALA 88 Cb 1.15 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 19.25 2ore h ALA 88 CO 0.20 -0.45 -0.28 -1.91 0.00 0.00 0.00 179.25 176.81 2ore n GLU 89 N -5.39 -0.14 0.09 0.00 4.07 -1.26 -1.06 120.64 116.96 2ore n GLU 89 Ca 0.16 1.42 -0.22 0.00 -0.06 0.00 0.00 57.16 58.46 2ore n GLU 89 Cb 0.53 -2.12 -0.14 0.00 -0.06 0.00 0.00 31.44 29.65 2ore n GLU 89 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2ore h VAL 90 N 0.00 1.35 -0.70 6.31 2.07 -1.29 -3.29 116.25 120.70 2ore h VAL 90 Ca 0.39 -2.51 0.15 0.00 0.82 0.00 0.00 66.70 65.55 2ore h VAL 90 Cb 0.62 2.92 -0.11 0.00 -1.52 0.00 0.00 31.29 33.19 2ore h VAL 90 CO -0.93 0.75 0.08 0.22 0.02 0.00 0.00 177.57 177.71 2ore h TYR 91 N 0.04 0.10 0.00 1.57 3.20 -0.01 0.38 116.97 122.24 2ore h TYR 91 Ca -0.19 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2ore h TYR 91 Cb 1.87 0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.21 2ore h TYR 91 CO 0.14 -0.15 0.00 1.88 -1.64 0.00 0.00 178.16 178.39 2ore h TYR 92 N 0.18 0.00 0.08 -3.82 -1.99 -1.43 -1.25 116.97 108.74 2ore h TYR 92 Ca 0.38 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.99 2ore h TYR 92 Cb 0.65 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.39 2ore h TYR 92 CO -0.33 0.00 -0.54 0.37 -0.00 0.00 0.00 178.16 177.65 2ore h GLN 93 N 0.00 0.17 -0.41 4.88 4.15 -0.42 -2.77 115.11 120.71 2ore h GLN 93 Ca 0.00 -0.29 -0.08 0.00 0.77 0.00 0.00 58.65 59.05 2ore h GLN 93 Cb 0.54 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 2ore h GLN 93 CO 0.00 1.14 -0.08 0.74 -1.93 0.00 0.00 178.83 178.70 2ore h PHE 94 N -0.64 0.76 -0.46 3.99 0.05 -0.87 -0.19 116.94 119.58 2ore h PHE 94 Ca -0.10 -0.12 -0.02 0.00 3.82 0.00 0.00 57.97 61.54 2ore h PHE 94 Cb 1.38 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 39.11 2ore h PHE 94 CO 0.22 0.76 0.20 -0.09 -0.18 0.00 0.00 178.31 179.22 2ore h ARG 95 N 0.64 0.68 -0.55 1.51 2.43 -1.31 -0.43 114.38 117.35 2ore h ARG 95 Ca 0.12 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2ore h ARG 95 Cb 0.52 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2ore h ARG 95 CO 0.03 0.60 -0.01 1.49 -1.51 0.00 0.00 179.97 180.57 2ore h GLU 96 N 0.60 0.98 -0.70 0.20 4.81 -1.17 -0.88 114.58 118.42 2ore h GLU 96 Ca 0.16 -0.32 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2ore h GLU 96 Cb 0.17 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2ore h GLU 96 CO -0.02 0.99 0.46 1.49 -0.73 0.00 0.00 179.01 181.21 2ore h GLU 97 N 0.86 0.92 0.18 1.92 4.81 -0.69 -1.99 114.58 120.60 2ore h GLU 97 Ca 0.15 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2ore h GLU 97 Cb 0.56 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2ore h GLU 97 CO 0.03 0.61 -0.09 0.35 -0.73 0.00 0.00 179.01 179.18 2ore h PHE 98 N 0.95 -0.23 -0.08 0.92 3.04 -0.64 -0.47 116.94 120.44 2ore h PHE 98 Ca 0.26 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.22 2ore h PHE 98 Cb -0.11 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 2ore h PHE 98 CO 0.00 0.14 0.11 -0.91 -2.02 0.00 0.00 178.31 175.62 2ore h ASN 99 N -0.64 0.00 0.34 0.41 2.35 -0.96 -1.78 115.58 115.30 2ore h ASN 99 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2ore h ASN 99 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2ore h ASN 99 CO 0.04 0.00 -1.34 0.29 -1.65 0.00 0.00 177.43 174.77 2ore n LYS 100 N -3.64 0.44 -2.05 0.81 5.02 -0.77 -4.97 118.16 112.99 2ore n LYS 100 Ca -0.01 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.86 2ore n LYS 100 Cb 0.20 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 2ore n LYS 100 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ore s SER 101 N -4.27 5.80 0.00 4.39 0.15 -0.20 -4.94 113.70 114.63 2ore s SER 101 Ca -0.00 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.16 2ore s SER 101 Cb 0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2ore s SER 101 CO 0.84 -1.19 0.55 0.00 1.20 0.00 0.00 173.24 174.65 2ore n GLN 102 N -0.69 -0.17 -3.39 5.44 1.13 -1.26 -4.99 117.38 113.45 2ore n GLN 102 Ca 0.08 -0.64 -0.40 0.00 -1.94 0.00 0.00 57.00 54.11 2ore n GLN 102 Cb 0.47 -0.95 -0.09 0.00 0.11 0.00 0.00 30.24 29.78 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 -0.18 6.22 0.25 1.08 2.15 -1.26 -4.99 116.67 119.95 2ore s ASP 103 Ca 0.00 0.10 -0.03 0.00 0.43 0.00 0.00 52.55 53.06 2ore s ASP 103 Cb 0.00 -2.21 0.47 0.00 -0.30 0.00 0.00 42.92 40.89 2ore s ASP 103 CO 0.00 -0.24 1.78 -0.65 -0.17 0.00 0.00 175.17 175.88 2ore h PRO 104 N 8.29 0.65 -0.13 4.34 0.11 -1.99 -2.05 132.00 141.22 2ore h PRO 104 Ca -0.31 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 2ore h PRO 104 Cb 1.16 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2ore h PRO 104 CO 0.66 0.43 -0.04 0.35 -0.21 0.00 0.00 178.00 179.20 2ore h PHE 105 N 0.67 0.29 -0.66 0.65 3.57 -1.98 -1.71 116.94 117.77 2ore h PHE 105 Ca 0.43 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 2ore h PHE 105 Cb 0.54 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2ore h PHE 105 CO -0.08 0.56 0.31 -0.09 -2.23 0.00 0.00 178.31 176.77 2ore h ARG 106 N -0.05 0.93 -0.03 1.11 9.65 -1.95 -1.69 114.38 122.36 2ore h ARG 106 Ca 0.03 -0.13 -0.11 0.00 -1.10 0.00 0.00 59.98 58.68 2ore h ARG 106 Cb 0.47 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2ore h ARG 106 CO 0.01 0.73 -0.48 0.00 2.80 0.00 0.00 179.97 183.03 2ore h ARG 107 N 0.93 0.06 -0.07 0.20 3.08 -1.33 -1.77 114.38 115.49 2ore h ARG 107 Ca 0.23 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 2ore h ARG 107 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2ore h ARG 107 CO -0.03 0.53 -0.54 0.00 -1.07 0.00 0.00 179.97 178.86 2ore h ALA 108 N 1.46 0.97 0.16 0.04 0.00 -0.43 -0.00 119.26 121.46 2ore h ALA 108 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2ore h ALA 108 Cb 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2ore h ALA 108 CO 0.07 0.68 -0.08 0.28 0.00 0.00 0.00 179.25 180.20 2ore h VAL 109 N 0.15 0.85 -0.84 0.00 2.07 -1.06 -3.21 116.25 114.21 2ore h VAL 109 Ca 0.00 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.43 2ore h VAL 109 Cb 1.00 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 2ore h VAL 109 CO 0.08 0.22 0.55 -0.07 0.02 0.00 0.00 177.57 178.37 2ore h LEU 110 N -0.85 0.91 -0.86 2.57 3.38 -1.35 -2.43 115.31 116.67 2ore h LEU 110 Ca -0.02 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2ore h LEU 110 Cb 0.52 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 2ore h LEU 110 CO 0.04 0.63 0.46 0.15 0.09 0.00 0.00 178.44 179.80 2ore h PHE 111 N 1.06 0.80 -0.35 1.13 3.57 -1.04 0.17 116.94 122.28 2ore h PHE 111 Ca 0.33 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.75 2ore h PHE 111 Cb 0.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2ore h PHE 111 CO -0.00 0.21 -0.22 1.25 -2.23 0.00 0.00 178.31 177.32 2ore h LEU 112 N 0.66 0.80 -0.70 0.59 5.85 -1.44 -0.85 115.31 120.22 2ore h LEU 112 Ca 0.46 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ore h LEU 112 Cb 0.62 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2ore h LEU 112 CO -0.35 1.06 0.44 0.22 -0.34 0.00 0.00 178.44 179.47 2ore h TYR 113 N 0.55 0.91 -0.52 1.25 3.20 -1.16 -1.15 116.97 120.05 2ore h TYR 113 Ca 0.07 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 2ore h TYR 113 Cb 0.78 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2ore h TYR 113 CO 0.06 0.60 0.01 -0.07 -1.64 0.00 0.00 178.16 177.12 2ore h LEU 114 N 0.96 0.84 -0.95 2.82 3.38 -0.57 0.12 115.31 121.90 2ore h LEU 114 Ca 0.26 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2ore h LEU 114 Cb -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2ore h LEU 114 CO -0.05 0.89 0.28 -1.13 0.09 0.00 0.00 178.44 178.53 2ore h ASN 115 N 0.81 0.96 0.41 -0.43 -0.00 -0.37 -0.13 115.58 116.82 2ore h ASN 115 Ca 0.16 -0.14 -0.31 0.00 -0.00 0.00 0.00 56.30 56.01 2ore h ASN 115 Cb 0.47 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.52 2ore h ASN 115 CO 0.02 0.85 -1.63 0.03 -0.00 0.00 0.00 177.43 176.71 2ore h ARG 116 N 1.02 0.22 -0.00 6.67 2.47 -0.90 -3.37 114.38 120.48 2ore h ARG 116 Ca 0.24 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2ore h ARG 116 Cb 0.19 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2ore h ARG 116 CO -0.02 1.05 -0.62 0.66 0.56 0.00 0.00 179.97 181.60 2ore n TYR 117 N -3.40 0.00 -2.32 3.04 4.02 0.39 -4.88 117.16 114.00 2ore n TYR 117 Ca -0.19 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.40 2ore n TYR 117 Cb 1.04 -0.13 -0.00 0.00 -0.02 0.00 0.00 39.34 40.23 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 -2.87 1.69 -0.30 2.72 0.00 -0.06 -1.91 107.32 106.58 2ore s GLY 118 Ca 0.13 -0.21 -0.35 0.00 0.00 0.00 0.00 44.72 44.29 2ore s GLY 118 CO 0.71 0.01 2.13 2.98 0.00 0.00 0.00 173.10 178.94 2ore n TYR 119 N -2.25 1.74 -2.35 1.90 9.36 0.11 -1.94 117.16 123.74 2ore n TYR 119 Ca 0.04 0.23 -0.15 0.00 3.32 0.00 0.00 57.90 61.33 2ore n TYR 119 Cb 0.54 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.68 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 9.40 -4.51 -3.22 2.98 5.03 -1.26 -2.31 115.26 121.38 2ore n ASN 120 Ca 0.37 0.15 -0.19 0.00 0.87 0.00 0.00 54.58 55.78 2ore n ASN 120 Cb 0.25 -3.82 -0.02 0.00 -1.02 0.00 0.00 39.78 35.17 2ore n ASN 120 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ore n GLY 121 N -0.83 -0.48 3.85 7.41 0.00 -0.82 -4.91 105.19 109.41 2ore n GLY 121 Ca -0.18 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -6.13 3.30 -0.45 0.99 1.43 -0.98 -4.59 118.68 112.24 2ore s LEU 122 Ca 0.32 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 2ore s LEU 122 Cb -0.18 -4.49 0.14 0.00 0.03 0.00 0.00 46.19 41.70 2ore s LEU 122 CO 0.39 -0.99 0.26 0.00 0.23 0.00 0.00 176.35 176.25 2ore s ARG 124 N 0.23 0.84 0.16 0.00 0.52 -1.26 -5.10 118.95 114.34 2ore s ARG 124 Ca 0.19 -0.97 0.08 0.00 -0.52 0.00 0.00 55.73 54.51 2ore s ARG 124 Cb -0.21 -0.86 -0.04 0.00 0.52 0.00 0.00 34.95 34.36 2ore s ARG 124 CO -0.03 0.19 -0.17 0.71 0.02 0.00 0.00 175.30 176.03 2ore s TYR 125 N -1.28 1.71 0.07 -0.53 1.51 -1.26 -1.21 117.35 116.36 2ore s TYR 125 Ca -0.01 -0.50 -0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2ore s TYR 125 Cb -0.10 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 2ore s TYR 125 CO 0.02 0.28 0.10 0.27 -1.11 0.00 0.00 175.55 175.12 2ore n ASN 126 N 0.30 0.12 0.29 2.29 0.23 -0.58 -4.86 115.26 113.06 2ore n ASN 126 Ca -0.13 -1.11 0.18 0.00 -0.53 0.00 0.00 54.58 52.99 2ore n ASN 126 Cb 0.57 -0.06 0.82 0.00 -2.08 0.00 0.00 39.78 39.02 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 -0.05 -4.53 3.38 -2.02 -1.79 115.31 110.30 2ore h LEU 127 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ore h LEU 127 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ore h LEU 127 CO 0.03 0.03 -0.10 0.54 0.09 0.00 0.00 178.44 179.03 2ore n ARG 128 N -3.16 0.26 -0.31 1.13 1.74 -1.26 -4.91 116.66 110.15 2ore n ARG 128 Ca -0.01 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2ore n ARG 128 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.40 0.79 3.79 -0.13 0.00 -0.67 -5.06 105.19 105.30 2ore n GLY 129 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.61 4.51 -0.00 1.61 2.02 -1.26 -4.77 118.70 120.19 2ore s GLU 130 Ca 0.00 1.17 -0.30 0.00 0.02 0.00 0.00 54.97 55.86 2ore s GLU 130 Cb 0.00 -2.95 -0.07 0.00 0.10 0.00 0.00 34.13 31.21 2ore s GLU 130 CO 0.00 0.39 1.76 0.12 0.02 0.00 0.00 175.26 177.55 2ore s PHE 131 N -1.47 1.80 -0.23 1.61 5.36 -1.26 -1.52 117.98 122.27 2ore s PHE 131 Ca 0.45 -0.02 0.13 0.00 -0.96 0.00 0.00 56.93 56.52 2ore s PHE 131 Cb -0.19 -4.04 0.45 0.00 -0.34 0.00 0.00 43.02 38.90 2ore s PHE 131 CO 0.24 -4.46 1.18 0.27 -1.46 0.00 0.00 175.22 170.99 2ore n ASN 132 N 7.03 3.09 -4.80 6.13 0.23 -0.35 -4.92 115.26 121.67 2ore n ASN 132 Ca 0.18 -3.34 -0.37 0.00 -0.53 0.00 0.00 54.58 50.52 2ore n ASN 132 Cb 0.42 -0.41 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2ore n ASN 132 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2ore s VAL 133 N -3.63 4.46 0.65 3.53 1.01 -1.26 -4.96 120.40 120.20 2ore s VAL 133 Ca 0.42 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 63.82 2ore s VAL 133 Cb 0.38 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.90 2ore s VAL 133 CO -0.02 0.23 0.93 -2.16 0.00 0.00 0.00 175.10 174.07 2ore s PRO 134 N -1.90 2.25 0.25 2.72 0.04 -1.26 -4.87 135.00 132.22 2ore s PRO 134 Ca 0.44 -0.54 -0.31 0.00 0.04 0.00 0.00 61.00 60.64 2ore s PRO 134 Cb -0.18 -2.30 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 2ore s PRO 134 CO 0.22 -1.08 1.62 0.12 0.04 0.00 0.00 177.00 177.92 2ore s PHE 135 N -3.07 2.84 -1.49 0.56 5.36 -1.26 0.09 117.98 121.01 2ore s PHE 135 Ca 0.60 0.64 0.27 0.00 -0.96 0.00 0.00 56.93 57.48 2ore s PHE 135 Cb -0.10 -4.07 0.88 0.00 -0.34 0.00 0.00 43.02 39.40 2ore s PHE 135 CO 0.42 -3.76 1.65 0.41 -1.46 0.00 0.00 175.22 172.48 2ore n GLY 136 N 2.86 -0.93 3.93 13.12 0.00 -0.80 -4.34 105.19 119.03 2ore n GLY 136 Ca 0.11 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.00 -5.34 -2.71 1.61 1.74 -1.26 -4.83 116.66 104.87 2ore n ARG 137 Ca 0.11 0.58 -0.41 0.00 -0.77 0.00 0.00 57.85 57.36 2ore n ARG 137 Cb 0.32 -5.44 -0.04 0.00 -1.02 0.00 0.00 32.46 26.28 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 -3.32 3.80 0.07 -1.55 4.12 -1.26 -4.98 117.35 114.22 2ore s TYR 138 Ca 0.63 1.79 -0.36 0.00 0.02 0.00 0.00 57.07 59.16 2ore s TYR 138 Cb -0.32 -3.07 -0.20 0.00 -1.52 0.00 0.00 41.96 36.85 2ore s TYR 138 CO 0.84 0.14 1.59 0.87 0.02 0.00 0.00 175.55 179.01 2ore h LYS 139 N 5.42 -1.11 -2.59 -0.62 6.56 -2.00 -3.41 116.57 118.82 2ore h LYS 139 Ca -0.43 0.08 -0.58 0.00 -1.06 0.00 0.00 60.65 58.65 2ore h LYS 139 Cb 1.21 0.25 -0.39 0.00 -0.57 0.00 0.00 32.23 32.73 2ore h LYS 139 CO 0.72 -0.74 -0.85 0.21 -2.06 0.00 0.00 179.45 176.73 2ore s LYS 140 N -6.01 0.60 0.39 3.15 2.20 -1.26 -5.12 119.74 113.69 2ore s LYS 140 Ca -0.19 -1.40 -0.27 0.00 -0.36 0.00 0.00 55.97 53.75 2ore s LYS 140 Cb 0.03 -1.36 -0.10 0.00 -1.51 0.00 0.00 37.83 34.89 2ore s LYS 140 CO 0.61 -1.22 1.48 -2.14 -0.36 0.00 0.00 175.35 173.73 2ore s PRO 141 N 0.99 4.01 -0.22 4.03 0.02 -1.26 -4.97 135.00 137.60 2ore s PRO 141 Ca 0.19 2.56 -0.17 0.00 0.02 0.00 0.00 61.00 63.60 2ore s PRO 141 Cb -0.22 -2.90 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 2ore s PRO 141 CO -0.00 -0.61 0.47 -0.47 -0.33 0.00 0.00 177.00 176.06 2ore s TYR 142 N -1.13 3.34 -0.45 6.54 5.04 -1.26 -5.04 117.35 124.38 2ore s TYR 142 Ca 0.55 0.67 -0.24 0.00 -2.44 0.00 0.00 57.07 55.60 2ore s TYR 142 Cb -0.46 -2.63 0.03 0.00 0.35 0.00 0.00 41.96 39.24 2ore s TYR 142 CO 0.62 -0.12 0.87 0.12 -1.34 0.00 0.00 175.55 175.70 2ore s PHE 143 N 1.72 2.95 -0.87 4.97 5.36 -1.26 -4.95 117.98 125.90 2ore s PHE 143 Ca 0.21 0.30 -0.13 0.00 -0.96 0.00 0.00 56.93 56.35 2ore s PHE 143 Cb -0.15 -3.84 -0.09 0.00 -0.34 0.00 0.00 43.02 38.60 2ore s PHE 143 CO 0.09 -1.05 2.03 -0.35 -1.46 0.00 0.00 175.22 174.49 2ore n PRO 144 N 6.97 1.86 -0.06 10.12 -0.04 -1.26 -4.67 135.00 147.92 2ore n PRO 144 Ca 0.05 -1.67 -0.15 0.00 -0.04 0.00 0.00 63.50 61.69 2ore n PRO 144 Cb 0.48 -2.68 -0.06 0.00 -0.04 0.00 0.00 33.50 31.20 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 6.99 0.63 -0.28 0.54 4.81 -1.98 -2.01 114.58 123.28 2ore h GLU 145 Ca 0.47 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2ore h GLU 145 Cb 0.40 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2ore h GLU 145 CO 1.69 1.03 0.18 0.00 -0.73 0.00 0.00 179.01 181.18 2ore h ALA 146 N 0.60 0.35 -0.23 2.92 0.00 -2.01 -2.83 119.26 118.06 2ore h ALA 146 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2ore h ALA 146 Cb 1.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2ore h ALA 146 CO 0.09 -0.18 -0.22 0.93 0.00 0.00 0.00 179.25 179.87 2ore h GLU 147 N 0.38 0.42 0.27 0.00 3.07 -1.89 -2.25 114.58 114.57 2ore h GLU 147 Ca 0.10 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2ore h GLU 147 Cb -0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2ore h GLU 147 CO -0.02 0.62 -0.19 -0.07 -1.40 0.00 0.00 179.01 177.94 2ore h LEU 148 N 0.38 -0.50 -0.22 1.33 3.38 -1.13 0.28 115.31 118.84 2ore h LEU 148 Ca 0.06 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2ore h LEU 148 Cb 0.60 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2ore h LEU 148 CO 0.04 -0.30 0.12 1.88 0.09 0.00 0.00 178.44 180.27 2ore h TYR 149 N -0.46 0.23 -0.64 1.13 -1.99 -1.41 0.32 116.97 114.15 2ore h TYR 149 Ca -0.02 0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.81 2ore h TYR 149 Cb 0.40 -0.07 -0.07 0.00 2.00 0.00 0.00 36.73 38.99 2ore h TYR 149 CO -0.11 0.13 0.28 1.25 -0.00 0.00 0.00 178.16 179.71 2ore h HIS 150 N 0.25 0.50 0.21 4.88 2.76 -1.24 0.67 115.15 123.18 2ore h HIS 150 Ca 0.09 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2ore h HIS 150 Cb 0.00 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2ore h HIS 150 CO -0.08 0.17 -0.10 0.35 -1.30 0.00 0.00 177.93 176.96 2ore h PHE 151 N 0.50 -0.26 -0.72 5.26 3.57 -0.39 -1.72 116.94 123.18 2ore h PHE 151 Ca 0.32 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2ore h PHE 151 Cb 0.35 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 2ore h PHE 151 CO -0.14 -0.15 0.39 0.00 -2.23 0.00 0.00 178.31 176.19 2ore h ALA 152 N 0.49 0.98 -0.06 2.41 0.00 0.12 0.87 119.26 124.07 2ore h ALA 152 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ore h ALA 152 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ore h ALA 152 CO 0.05 0.04 0.02 1.05 0.00 0.00 0.00 179.25 180.41 2ore h GLU 153 N 0.69 0.10 0.00 0.00 -0.00 0.48 -2.92 114.58 112.92 2ore h GLU 153 Ca 0.33 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.36 59.64 2ore h GLU 153 Cb 0.27 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.00 2ore h GLU 153 CO -0.22 0.28 -0.16 -0.22 -0.00 0.00 0.00 179.01 178.69 2ore h LYS 154 N -0.10 0.00 0.00 1.06 3.64 -1.02 -2.54 116.57 117.61 2ore h LYS 154 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ore h LYS 154 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2ore h LYS 154 CO -0.00 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 2ore n ALA 155 N -2.22 2.18 0.25 5.00 0.00 0.27 -2.81 120.51 123.19 2ore n ALA 155 Ca -0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.46 2ore n ALA 155 Cb 0.35 -1.33 0.57 0.00 0.00 0.00 0.00 19.45 19.04 2ore n ALA 155 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2ore h GLN 156 N 0.00 0.00 -0.47 0.00 1.08 -1.48 -1.98 115.11 112.26 2ore h GLN 156 Ca 0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 2ore h GLN 156 Cb 0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.38 2ore h GLN 156 CO 0.00 0.08 0.06 0.09 -0.95 0.00 0.00 178.83 178.11 2ore n ASN 157 N -3.20 2.84 -4.20 1.46 5.03 -1.12 -4.98 115.26 111.08 2ore n ASN 157 Ca 0.01 -3.69 -0.13 0.00 0.87 0.00 0.00 54.58 51.64 2ore n ASN 157 Cb 0.36 -0.67 -0.10 0.00 -1.02 0.00 0.00 39.78 38.35 2ore n ASN 157 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ore s ALA 158 N -3.23 1.19 -0.03 5.41 0.00 -0.75 -0.84 121.76 123.52 2ore s ALA 158 Ca 0.47 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2ore s ALA 158 Cb 0.42 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2ore s ALA 158 CO 0.03 -0.13 -0.12 -0.06 0.00 0.00 0.00 175.76 175.48 2ore s PHE 159 N -3.17 1.23 -0.14 0.00 2.99 0.34 -4.93 117.98 114.29 2ore s PHE 159 Ca 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 56.93 56.71 2ore s PHE 159 Cb 0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 43.02 42.17 2ore s PHE 159 CO -0.01 -0.12 -0.10 -0.06 -0.00 0.00 0.00 175.22 174.93 2ore s PHE 160 N 0.12 2.88 0.05 0.36 0.40 -1.26 -0.85 117.98 119.68 2ore s PHE 160 Ca -0.03 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 55.83 2ore s PHE 160 Cb -0.09 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 2ore s PHE 160 CO 0.01 -0.16 -0.19 0.71 0.70 0.00 0.00 175.22 176.29 2ore s TYR 161 N 0.37 1.69 -0.70 0.36 1.51 0.27 -4.99 117.35 115.85 2ore s TYR 161 Ca -0.09 -0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2ore s TYR 161 Cb -0.15 -1.00 0.18 0.00 -0.11 0.00 0.00 41.96 40.88 2ore s TYR 161 CO 0.05 0.09 0.56 0.00 -1.11 0.00 0.00 175.55 175.13 2ore s GLU 163 N -0.07 1.50 0.82 0.00 -1.05 -1.09 -4.95 118.70 113.86 2ore s GLU 163 Ca 0.18 -1.31 -0.12 0.00 -0.15 0.00 0.00 54.97 53.57 2ore s GLU 163 Cb -0.17 0.44 0.08 0.00 -0.44 0.00 0.00 34.13 34.05 2ore s GLU 163 CO -0.05 -0.61 1.11 0.45 0.95 0.00 0.00 175.26 177.11 2ore s SER 164 N -3.04 4.35 0.28 0.83 0.15 -1.26 -3.43 113.70 111.57 2ore s SER 164 Ca 0.25 1.20 0.01 0.00 0.70 0.00 0.00 55.95 58.11 2ore s SER 164 Cb 0.00 -1.90 0.53 0.00 -1.71 0.00 0.00 66.02 62.95 2ore s SER 164 CO 0.10 -2.05 1.85 0.10 1.20 0.00 0.00 173.24 174.44 2ore h TYR 165 N -1.15 1.14 -0.41 3.44 -0.00 -1.98 -2.58 116.97 115.44 2ore h TYR 165 Ca -0.48 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 58.27 2ore h TYR 165 Cb 1.28 -0.37 -0.02 0.00 0.00 0.00 0.00 36.73 37.63 2ore h TYR 165 CO 0.42 0.49 0.18 0.00 -0.00 0.00 0.00 178.16 179.26 2ore h ALA 166 N 1.52 0.53 -0.51 0.10 0.00 -1.96 -1.90 119.26 117.04 2ore h ALA 166 Ca 0.47 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2ore h ALA 166 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2ore h ALA 166 CO -0.23 0.12 0.14 -0.44 0.00 0.00 0.00 179.25 178.84 2ore h ASP 167 N 0.52 0.76 0.04 0.00 3.32 -1.84 -2.72 116.42 116.49 2ore h ASP 167 Ca 0.14 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2ore h ASP 167 Cb 0.16 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2ore h ASP 167 CO -0.01 0.78 -0.02 0.77 -1.72 0.00 0.00 179.24 179.04 2ore h SER 168 N 0.71 -0.04 0.00 6.45 4.64 -1.41 -2.76 113.55 121.13 2ore h SER 168 Ca 0.16 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2ore h SER 168 Cb 0.30 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2ore h SER 168 CO -0.00 0.36 0.17 0.24 -0.87 0.00 0.00 176.83 176.73 2ore h MET 169 N -0.45 0.00 -0.07 4.77 2.86 -1.38 0.23 114.93 120.89 2ore h MET 169 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ore h MET 169 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2ore h MET 169 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 2ore n ALA 170 N -1.89 2.52 0.69 6.32 0.00 -1.03 -2.90 120.51 124.22 2ore n ALA 170 Ca -0.02 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.32 2ore n ALA 170 Cb 0.22 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.33 1.93 -2.38 0.00 1.74 0.82 -4.98 116.66 113.45 2ore n ARG 171 Ca 0.06 -0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 56.32 2ore n ARG 171 Cb 0.09 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 2ore n ARG 171 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ore s ALA 172 N -2.11 3.43 0.00 7.54 0.00 -1.14 -5.04 121.76 124.44 2ore s ALA 172 Ca 0.09 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2ore s ALA 172 Cb 0.12 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2ore s ALA 172 CO 0.49 -0.42 0.00 -0.40 0.00 0.00 0.00 175.76 175.44 2ore n ASP 173 N 3.25 1.18 -0.15 0.00 5.68 -1.26 -4.95 116.55 120.30 2ore n ASP 173 Ca 0.07 -0.58 0.05 0.00 -0.50 0.00 0.00 54.79 53.83 2ore n ASP 173 Cb 0.45 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.78 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 0.67 0.23 -1.12 3.32 -1.94 -1.99 116.42 115.59 2ore h ASP 174 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ore h ASP 174 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2ore h ASP 174 CO 0.00 0.46 -0.26 0.00 -1.72 0.00 0.00 179.24 177.72 2ore n ALA 175 N -2.45 3.08 -1.73 3.45 0.00 -1.26 -4.85 120.51 116.74 2ore n ALA 175 Ca 0.09 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 2ore n ALA 175 Cb 0.15 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.50 5.85 -0.07 0.00 0.01 -0.75 -1.69 113.70 114.56 2ore s SER 176 Ca 0.24 1.52 -0.03 0.00 1.31 0.00 0.00 55.95 58.99 2ore s SER 176 Cb 0.19 -2.48 0.04 0.00 0.21 0.00 0.00 66.02 63.98 2ore s SER 176 CO 0.52 -1.13 0.14 -0.69 0.41 0.00 0.00 173.24 172.49 2ore s VAL 177 N -3.10 -0.11 -0.24 3.43 1.01 0.12 -4.43 120.40 117.09 2ore s VAL 177 Ca 0.57 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 2ore s VAL 177 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2ore s VAL 177 CO 0.54 0.10 0.10 -0.69 0.00 0.00 0.00 175.10 175.15 2ore s VAL 178 N 1.51 4.74 -0.21 2.92 1.01 -0.66 -0.53 120.40 129.18 2ore s VAL 178 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2ore s VAL 178 Cb -0.12 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2ore s VAL 178 CO -0.06 0.35 -0.09 -0.47 0.00 0.00 0.00 175.10 174.84 2ore s TYR 179 N 1.25 2.90 -0.18 5.22 5.04 -0.27 0.58 117.35 131.88 2ore s TYR 179 Ca 0.05 -1.15 -0.03 0.00 -2.44 0.00 0.00 57.07 53.50 2ore s TYR 179 Cb -0.14 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 2ore s TYR 179 CO 0.04 -0.63 -0.06 0.00 -1.34 0.00 0.00 175.55 173.57 2ore n ASP 181 N 4.17 2.71 -4.77 0.00 2.03 -1.26 -1.53 116.55 117.91 2ore n ASP 181 Ca -0.18 -3.23 -0.30 0.00 0.52 0.00 0.00 54.79 51.60 2ore n ASP 181 Cb 0.52 -0.65 0.12 0.00 -0.72 0.00 0.00 41.12 40.38 2ore n ASP 181 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2ore s PRO 182 N -2.16 1.58 0.08 -0.67 0.04 -1.26 -4.80 135.00 127.80 2ore s PRO 182 Ca 0.39 0.64 -0.32 0.00 0.04 0.00 0.00 61.00 61.75 2ore s PRO 182 Cb 0.17 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.74 2ore s PRO 182 CO -0.05 -1.97 1.84 -2.30 0.04 0.00 0.00 177.00 174.55 2ore n PRO 183 N -3.67 2.62 -1.31 0.56 -0.02 -1.26 -4.87 135.00 127.05 2ore n PRO 183 Ca 0.07 0.96 -0.45 0.00 -2.02 0.00 0.00 63.50 62.06 2ore n PRO 183 Cb 0.56 -2.84 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 2ore n PRO 183 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ore n TYR 184 N 5.82 -0.68 -1.72 6.00 0.53 -1.26 -4.93 117.16 120.91 2ore n TYR 184 Ca 0.19 0.87 -0.32 0.00 -1.02 0.00 0.00 57.90 57.62 2ore n TYR 184 Cb 0.35 -1.83 0.04 0.00 -1.03 0.00 0.00 39.34 36.87 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 -1.04 2.58 -0.28 -0.72 0.00 -1.26 -4.90 121.76 116.14 2ore s ALA 185 Ca 0.60 0.32 -0.35 0.00 0.00 0.00 0.00 51.96 52.53 2ore s ALA 185 Cb -0.84 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 18.92 2ore s ALA 185 CO 0.54 -1.19 2.08 -2.30 0.00 0.00 0.00 175.76 174.90 2ore n PRO 186 N -2.68 1.40 0.09 0.00 -0.02 -1.26 -4.89 135.00 127.64 2ore n PRO 186 Ca 0.09 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.12 2ore n PRO 186 Cb 0.53 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.66 2ore n PRO 186 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ore h LEU 187 N 11.49 0.00 0.00 2.45 5.85 -2.02 -3.49 115.31 129.59 2ore h LEU 187 Ca -0.35 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2ore h LEU 187 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2ore h LEU 187 CO 0.99 0.06 0.00 -3.20 -0.34 0.00 0.00 178.44 175.95 2ore n ASN 199 N -2.31 -0.92 -4.21 1.25 2.85 -1.26 -5.12 115.26 105.54 2ore n ASN 199 Ca 0.03 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.38 2ore n ASN 199 Cb 0.46 -0.23 -0.10 0.00 1.24 0.00 0.00 39.78 41.15 2ore n ASN 199 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2ore s SER 200 N -0.61 0.48 -0.32 1.20 0.15 -1.26 -5.10 113.70 108.24 2ore s SER 200 Ca 0.00 -1.31 -0.29 0.00 0.70 0.00 0.00 55.95 55.05 2ore s SER 200 Cb 0.00 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2ore s SER 200 CO 0.00 -0.76 1.48 0.12 1.20 0.00 0.00 173.24 175.28 2ore s PHE 201 N -4.01 2.34 0.50 3.44 5.36 -1.26 -4.99 117.98 119.36 2ore s PHE 201 Ca 0.33 0.69 -0.00 0.00 -0.96 0.00 0.00 56.93 56.98 2ore s PHE 201 Cb 0.07 -4.08 0.01 0.00 -0.34 0.00 0.00 43.02 38.68 2ore s PHE 201 CO 0.08 -2.26 0.73 0.95 -1.46 0.00 0.00 175.22 173.26 2ore s THR 202 N 5.23 3.61 0.38 0.12 -4.23 -1.26 -4.97 115.64 114.52 2ore s THR 202 Ca 0.65 -0.47 0.06 0.00 -1.18 0.00 0.00 61.69 60.74 2ore s THR 202 Cb -0.18 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.53 2ore s THR 202 CO 0.29 -0.27 2.00 -0.07 -0.54 0.00 0.00 174.62 176.03 2ore h LEU 203 N 0.23 0.50 -1.10 4.79 3.38 -1.99 -1.28 115.31 119.84 2ore h LEU 203 Ca -0.45 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.50 2ore h LEU 203 Cb 1.26 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2ore h LEU 203 CO 0.57 0.43 0.61 -0.33 0.09 0.00 0.00 178.44 179.80 2ore h GLU 204 N 0.57 1.19 -0.01 1.13 3.07 -2.00 -2.16 114.58 116.36 2ore h GLU 204 Ca 0.14 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 58.73 2ore h GLU 204 Cb 0.06 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 2ore h GLU 204 CO -0.02 0.79 -0.88 1.96 -1.40 0.00 0.00 179.01 179.46 2ore h GLN 205 N 1.22 0.31 -0.55 2.33 4.20 -1.68 -2.22 115.11 118.72 2ore h GLN 205 Ca 0.34 -0.32 0.10 0.00 0.06 0.00 0.00 58.65 58.83 2ore h GLN 205 Cb -0.11 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.68 2ore h GLN 205 CO -0.08 1.01 0.11 1.96 -0.67 0.00 0.00 178.83 181.16 2ore h GLN 206 N 0.18 0.24 -0.33 1.46 1.08 -0.65 -1.07 115.11 116.03 2ore h GLN 206 Ca -0.06 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 56.97 2ore h GLN 206 Cb 1.50 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.87 2ore h GLN 206 CO 0.14 0.16 -0.40 0.00 -0.95 0.00 0.00 178.83 177.78 2ore h ALA 207 N 1.44 0.49 -0.99 3.87 0.00 -1.41 -3.12 119.26 119.53 2ore h ALA 207 Ca 0.28 -0.46 0.11 0.00 0.00 0.00 0.00 54.91 54.85 2ore h ALA 207 Cb 0.40 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2ore h ALA 207 CO -0.37 0.61 0.62 1.25 0.00 0.00 0.00 179.25 181.36 2ore h HIS 208 N 0.64 1.14 -0.68 0.00 -0.00 -0.71 0.30 115.15 115.84 2ore h HIS 208 Ca 0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 2ore h HIS 208 Cb 1.00 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 28.02 2ore h HIS 208 CO 0.07 0.47 0.30 1.25 -0.00 0.00 0.00 177.93 180.02 2ore h LEU 209 N 1.01 0.92 -0.49 0.26 5.85 -1.17 0.59 115.31 122.29 2ore h LEU 209 Ca 0.48 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 2ore h LEU 209 Cb 0.43 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2ore h LEU 209 CO -0.25 0.82 0.02 0.00 -0.34 0.00 0.00 178.44 178.69 2ore h ALA 210 N 1.14 0.65 -0.79 1.25 0.00 -1.26 -0.27 119.26 119.97 2ore h ALA 210 Ca 0.23 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2ore h ALA 210 Cb 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2ore h ALA 210 CO -0.02 0.44 0.48 1.49 0.00 0.00 0.00 179.25 181.63 2ore h GLU 211 N 0.71 0.85 -0.48 0.00 4.81 -0.49 0.50 114.58 120.48 2ore h GLU 211 Ca 0.14 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 2ore h GLU 211 Cb 0.48 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2ore h GLU 211 CO 0.02 0.56 -0.18 0.82 -0.73 0.00 0.00 179.01 179.50 2ore h ILE 212 N 0.88 1.27 -0.35 2.32 2.04 -0.48 -2.06 117.51 121.13 2ore h ILE 212 Ca 0.35 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.90 2ore h ILE 212 Cb 0.17 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2ore h ILE 212 CO -0.17 0.46 0.13 0.00 0.00 0.00 0.00 178.15 178.57 2ore h ALA 213 N 0.87 0.40 -0.95 1.87 0.00 -0.10 0.41 119.26 121.76 2ore h ALA 213 Ca 0.11 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.19 2ore h ALA 213 Cb 0.76 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2ore h ALA 213 CO 0.06 -0.26 0.60 0.93 0.00 0.00 0.00 179.25 180.58 2ore h GLU 214 N 0.28 0.84 -0.06 0.00 5.08 -0.67 -1.40 114.58 118.65 2ore h GLU 214 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2ore h GLU 214 Cb 0.12 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2ore h GLU 214 CO -0.15 0.56 -0.05 0.78 -1.00 0.00 0.00 179.01 179.15 2ore h GLY 215 N 0.87 0.16 0.98 -3.84 0.00 -0.35 -3.22 103.07 97.67 2ore h GLY 215 Ca 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 2ore h GLY 215 CO -0.23 0.14 0.28 1.41 0.00 0.00 0.00 176.54 178.13 2ore h LEU 216 N -0.27 0.65 -2.26 3.11 3.38 -0.51 -2.66 115.31 116.74 2ore h LEU 216 Ca 0.01 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2ore h LEU 216 Cb 0.52 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ore h LEU 216 CO 0.01 0.56 0.13 1.62 0.09 0.00 0.00 178.44 180.85 2ore h VAL 217 N 0.69 0.56 0.00 1.22 3.04 -0.99 0.21 116.25 120.98 2ore h VAL 217 Ca 0.18 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.72 2ore h VAL 217 Cb 0.06 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 2ore h VAL 217 CO -0.03 0.00 -0.74 -0.08 -1.01 0.00 0.00 177.57 175.72 2ore h GLU 218 N 0.00 0.00 -0.35 4.17 4.81 -1.48 -1.84 114.58 119.89 2ore h GLU 218 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2ore h GLU 218 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2ore h GLU 218 CO -0.00 0.74 0.00 0.54 -0.73 0.00 0.00 179.01 179.56 2ore n ARG 219 N -3.64 1.19 -1.27 1.92 1.74 0.67 -4.83 116.66 112.45 2ore n ARG 219 Ca -0.01 -0.23 -0.09 0.00 -0.77 0.00 0.00 57.85 56.75 2ore n ARG 219 Cb 0.72 -1.21 -0.04 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.21 0.00 -3.51 -1.55 8.25 -0.69 -4.89 115.22 112.63 2ore n HIS 220 Ca 0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.09 2ore n HIS 220 Cb 0.14 -1.88 -0.10 0.00 1.12 0.00 0.00 29.99 29.27 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 -2.30 5.25 0.61 1.59 1.01 -0.76 -4.80 121.20 121.80 2ore s ILE 221 Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 2ore s ILE 221 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 2ore s ILE 221 CO 0.00 0.13 1.10 -2.16 0.00 0.00 0.00 174.94 174.01 2ore s PRO 222 N 1.86 3.11 -0.11 2.79 0.04 -1.26 -2.55 135.00 138.88 2ore s PRO 222 Ca 0.09 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.45 2ore s PRO 222 Cb -0.16 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2ore s PRO 222 CO 0.11 -1.01 0.28 0.08 0.04 0.00 0.00 177.00 176.50 2ore s VAL 223 N -2.21 -0.01 -0.11 -0.36 1.01 -1.04 -1.66 120.40 116.02 2ore s VAL 223 Ca 0.68 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2ore s VAL 223 Cb -0.20 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2ore s VAL 223 CO 0.36 0.02 -0.21 -0.22 0.00 0.00 0.00 175.10 175.05 2ore s LEU 224 N 0.55 2.01 0.01 3.92 2.96 0.19 -0.82 118.68 127.51 2ore s LEU 224 Ca -0.03 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.42 2ore s LEU 224 Cb -0.05 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 2ore s LEU 224 CO -0.03 0.11 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.26 2ore s ILE 225 N 0.60 2.54 -0.07 6.68 1.01 0.40 -0.19 121.20 132.17 2ore s ILE 225 Ca -0.13 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.44 2ore s ILE 225 Cb -0.17 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2ore s ILE 225 CO 0.04 0.44 -0.23 -0.55 0.00 0.00 0.00 174.94 174.64 2ore s SER 226 N -1.09 2.94 0.11 3.58 0.15 -0.58 -0.28 113.70 118.53 2ore s SER 226 Ca 0.12 -0.50 -0.26 0.00 0.70 0.00 0.00 55.95 56.01 2ore s SER 226 Cb -0.10 -0.99 0.08 0.00 -1.71 0.00 0.00 66.02 63.30 2ore s SER 226 CO 0.02 0.20 1.08 0.21 1.20 0.00 0.00 173.24 175.96 2ore s ASN 227 N 0.03 -0.09 1.09 5.45 3.84 -0.79 -4.32 114.94 120.15 2ore s ASN 227 Ca -0.09 -0.39 -0.12 0.00 0.21 0.00 0.00 52.86 52.47 2ore s ASN 227 Cb -0.15 0.39 0.24 0.00 -0.55 0.00 0.00 41.25 41.18 2ore s ASN 227 CO 0.05 -0.74 1.06 -1.00 -2.79 0.00 0.00 177.10 173.68 2ore s HIS 228 N -2.72 1.63 -0.46 0.43 3.76 -1.26 0.04 115.29 116.71 2ore s HIS 228 Ca 0.16 1.17 -0.09 0.00 -0.15 0.00 0.00 55.06 56.15 2ore s HIS 228 Cb -0.00 -3.16 0.11 0.00 1.11 0.00 0.00 32.58 30.64 2ore s HIS 228 CO 0.01 -3.47 0.32 0.34 -0.85 0.00 0.00 174.74 171.09 2ore s ASP 229 N -2.84 5.67 0.24 1.40 2.15 -1.26 -4.21 116.67 117.83 2ore s ASP 229 Ca 0.67 -1.84 0.01 0.00 0.43 0.00 0.00 52.55 51.82 2ore s ASP 229 Cb -0.23 -2.00 -0.05 0.00 -0.30 0.00 0.00 42.92 40.35 2ore s ASP 229 CO 0.62 -0.66 0.11 0.42 -0.17 0.00 0.00 175.17 175.49 2ore s THR 230 N 1.37 0.34 0.33 1.71 -4.23 -1.26 -4.71 115.64 109.19 2ore s THR 230 Ca 0.05 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 2ore s THR 230 Cb -0.25 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.30 2ore s THR 230 CO -0.00 0.00 1.89 -0.03 -0.54 0.00 0.00 174.62 175.94 2ore h MET 231 N 2.46 0.83 -0.36 3.99 4.05 -1.96 -1.85 114.93 122.08 2ore h MET 231 Ca -0.37 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 58.90 2ore h MET 231 Cb 1.25 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 2ore h MET 231 CO 0.57 0.55 -0.18 -0.07 0.23 0.00 0.00 176.91 178.02 2ore h LEU 232 N 0.85 0.78 -0.58 3.39 3.38 -1.96 -2.53 115.31 118.65 2ore h LEU 232 Ca 0.41 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2ore h LEU 232 Cb 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2ore h LEU 232 CO -0.18 1.01 -0.22 0.71 0.09 0.00 0.00 178.44 179.85 2ore h THR 233 N 0.55 1.27 0.00 0.22 1.35 -1.73 -1.38 112.91 113.19 2ore h THR 233 Ca 0.08 -1.37 -0.07 0.00 -0.55 0.00 0.00 66.41 64.50 2ore h THR 233 Cb 0.72 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 2ore h THR 233 CO 0.05 0.47 -0.36 0.03 -0.25 0.00 0.00 175.52 175.46 2ore h ARG 234 N 0.78 0.00 -0.01 4.72 3.08 -1.38 -0.60 114.38 120.96 2ore h ARG 234 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2ore h ARG 234 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 2ore h ARG 234 CO 0.06 0.36 -0.02 1.49 -1.07 0.00 0.00 179.97 180.79 2ore h GLU 235 N 0.00 0.04 -0.38 0.04 4.57 -1.13 -2.64 114.58 115.07 2ore h GLU 235 Ca -0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 2ore h GLU 235 Cb 0.67 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2ore h GLU 235 CO 0.05 0.56 -0.06 -1.49 -1.18 0.00 0.00 179.01 176.89 2ore h TRP 236 N -0.49 0.80 -0.37 0.92 6.55 -1.12 -3.15 115.95 119.09 2ore h TRP 236 Ca 0.00 -0.16 -0.07 0.00 0.95 0.00 0.00 58.89 59.61 2ore h TRP 236 Cb 0.56 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 28.62 2ore h TRP 236 CO 0.11 0.84 0.09 0.66 -1.05 0.00 0.00 178.44 179.10 2ore n TYR 237 N -4.40 1.26 0.04 0.49 0.53 -0.25 -4.53 117.16 110.30 2ore n TYR 237 Ca -0.01 -0.61 0.14 0.00 -1.02 0.00 0.00 57.90 56.39 2ore n TYR 237 Cb 0.33 -0.40 0.61 0.00 -1.03 0.00 0.00 39.34 38.85 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 1.71 0.15 -0.93 -0.72 3.07 -1.43 -2.02 115.11 114.93 2ore h GLN 238 Ca 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.78 2ore h GLN 238 Cb 1.48 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.99 2ore h GLN 238 CO 0.35 0.10 0.05 0.54 0.09 0.00 0.00 178.83 179.96 2ore n ARG 239 N -4.45 1.71 -4.07 0.06 1.74 -1.26 -4.86 116.66 105.53 2ore n ARG 239 Ca 0.06 -0.72 -0.13 0.00 -0.77 0.00 0.00 57.85 56.30 2ore n ARG 239 Cb 0.38 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.21 0.61 -0.18 7.54 0.00 -0.76 -4.91 121.76 122.85 2ore s ALA 240 Ca 0.13 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 2ore s ALA 240 Cb 0.10 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2ore s ALA 240 CO 0.03 -0.05 1.85 0.15 0.00 0.00 0.00 175.76 177.74 2ore s LYS 241 N -1.88 3.65 0.07 0.00 1.02 -0.33 -4.74 119.74 117.52 2ore s LYS 241 Ca -0.07 1.91 -0.05 0.00 0.02 0.00 0.00 55.97 57.78 2ore s LYS 241 Cb -0.08 -4.16 -0.05 0.00 -0.52 0.00 0.00 37.83 33.02 2ore s LYS 241 CO -0.00 -1.49 0.30 -0.51 -0.92 0.00 0.00 175.35 172.72 2ore s LEU 242 N 6.02 4.33 -0.12 3.17 1.43 -1.26 -0.57 118.68 131.68 2ore s LEU 242 Ca 0.83 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.40 2ore s LEU 242 Cb -0.30 -2.96 0.06 0.00 0.03 0.00 0.00 46.19 43.02 2ore s LEU 242 CO 0.33 0.16 0.24 -2.28 0.23 0.00 0.00 176.35 175.04 2ore s HIS 243 N -1.47 -0.37 0.42 0.29 2.46 -0.59 -5.00 115.29 111.03 2ore s HIS 243 Ca 0.34 0.90 -0.15 0.00 0.47 0.00 0.00 55.06 56.61 2ore s HIS 243 Cb -0.13 -0.09 -0.08 0.00 -0.13 0.00 0.00 32.58 32.15 2ore s HIS 243 CO 0.21 -0.34 0.86 0.08 -2.47 0.00 0.00 174.74 173.09 2ore s VAL 244 N 2.39 4.61 -0.09 0.89 1.01 -1.26 -1.51 120.40 126.43 2ore s VAL 244 Ca 0.02 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 2ore s VAL 244 Cb -0.12 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2ore s VAL 244 CO -0.08 -0.44 0.00 -0.69 0.00 0.00 0.00 175.10 173.89 2ore s VAL 245 N -2.30 0.42 -0.11 2.92 1.01 0.25 -4.95 120.40 117.64 2ore s VAL 245 Ca 0.56 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 2ore s VAL 245 Cb -0.10 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2ore s VAL 245 CO 0.24 0.21 0.48 -1.59 0.00 0.00 0.00 175.10 174.44 2ore s LYS 246 N 1.95 4.33 0.00 2.72 0.00 -1.26 -1.24 119.74 126.24 2ore s LYS 246 Ca 0.04 0.47 0.00 0.00 0.00 0.00 0.00 55.97 56.48 2ore s LYS 246 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 37.83 34.27 2ore s LYS 246 CO -0.06 0.17 0.00 1.55 0.00 0.00 0.00 175.35 177.02 2ore n VAL 261 N 3.61 0.00 -0.18 1.79 3.14 -1.26 -4.79 118.33 120.64 2ore n VAL 261 Ca -0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 2ore n VAL 261 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 2ore n VAL 261 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2ore n ASP 262 N 0.00 -0.00 -3.74 6.55 8.00 -1.26 -5.00 116.55 121.10 2ore n ASP 262 Ca 0.00 -0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 2ore n ASP 262 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2ore n ASP 262 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ore s GLU 263 N -0.54 0.19 0.00 -1.24 2.56 -0.37 -3.99 118.70 115.31 2ore s GLU 263 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 54.97 55.51 2ore s GLU 263 Cb 0.00 -0.11 -0.03 0.00 2.00 0.00 0.00 34.13 35.99 2ore s GLU 263 CO 0.00 -0.15 -0.15 -1.17 -0.56 0.00 0.00 175.26 173.23 2ore s LEU 264 N 1.14 2.72 -0.13 2.70 2.96 0.11 0.86 118.68 129.04 2ore s LEU 264 Ca -0.08 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2ore s LEU 264 Cb -0.10 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2ore s LEU 264 CO -0.07 0.29 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.29 2ore s LEU 265 N -1.19 1.99 -0.21 -0.68 1.43 -0.57 -1.89 118.68 117.56 2ore s LEU 265 Ca 0.14 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2ore s LEU 265 Cb -0.11 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2ore s LEU 265 CO 0.04 0.05 -0.01 0.00 0.23 0.00 0.00 176.35 176.66 2ore s ALA 266 N 0.91 2.94 -0.20 4.21 0.00 0.62 -1.54 121.76 128.70 2ore s ALA 266 Ca -0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 2ore s ALA 266 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2ore s ALA 266 CO -0.03 -0.28 -0.12 -1.17 0.00 0.00 0.00 175.76 174.17 2ore s LEU 267 N 1.22 2.56 -0.72 0.00 2.96 0.26 -0.45 118.68 124.51 2ore s LEU 267 Ca 0.03 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.28 2ore s LEU 267 Cb -0.15 -1.62 0.19 0.00 0.50 0.00 0.00 46.19 45.12 2ore s LEU 267 CO 0.00 -0.02 0.65 -0.31 -1.32 0.00 0.00 176.35 175.35 2ore s TYR 268 N 1.39 3.60 -0.22 5.38 1.51 0.00 -1.18 117.35 127.83 2ore s TYR 268 Ca 0.05 -1.94 -0.12 0.00 -1.01 0.00 0.00 57.07 54.05 2ore s TYR 268 Cb -0.14 -3.72 -0.05 0.00 -0.11 0.00 0.00 41.96 37.95 2ore s TYR 268 CO -0.08 -0.98 0.24 0.15 -1.11 0.00 0.00 175.55 173.78 2ore s LYS 269 N 0.50 4.13 0.00 -0.62 1.02 -1.26 -2.49 119.74 121.02 2ore s LYS 269 Ca 0.14 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.05 2ore s LYS 269 Cb -0.16 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 2ore s LYS 269 CO -0.05 0.06 0.47 -2.30 -0.92 0.00 0.00 175.35 172.61