#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibr s VAL 7 N 0.00 3.11 0.52 -1.45 -7.23 -1.26 -4.95 120.40 109.14 3ibr s VAL 7 Ca 0.00 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3ibr s VAL 7 Cb 0.00 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 3ibr s VAL 7 CO 0.00 -0.10 0.01 0.42 -0.31 0.00 0.00 175.10 175.11 3ibr s THR 8 N 1.28 1.06 -1.27 5.32 -4.23 -1.26 -4.94 115.64 111.59 3ibr s THR 8 Ca -0.05 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.56 3ibr s THR 8 Cb -0.20 -2.09 0.14 0.00 1.34 0.00 0.00 72.50 71.69 3ibr s THR 8 CO -0.01 0.00 1.25 0.18 -0.54 0.00 0.00 174.62 175.50 3ibr n LEU 9 N -1.28 0.00 -0.08 4.79 7.99 -1.26 -2.10 117.00 125.07 3ibr n LEU 9 Ca -0.20 0.36 -0.10 0.00 -0.01 0.00 0.00 56.01 56.07 3ibr n LEU 9 Cb 0.67 -0.36 -0.15 0.00 -0.11 0.00 0.00 43.42 43.46 3ibr n LEU 9 CO 0.37 -0.24 -0.99 0.00 -1.51 0.00 0.00 177.39 175.02 3ibr n ALA 10 N -1.36 1.49 -0.34 -1.18 0.00 -1.26 -4.21 120.51 113.65 3ibr n ALA 10 Ca 0.04 -1.17 0.06 0.00 0.00 0.00 0.00 53.44 52.37 3ibr n ALA 10 Cb 0.09 -0.37 0.30 0.00 0.00 0.00 0.00 19.45 19.48 3ibr n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ibr n ASN 11 N -2.85 4.35 -0.05 0.00 3.02 -0.89 -4.58 115.26 114.26 3ibr n ASN 11 Ca -0.29 -2.57 -0.14 0.00 -0.03 0.00 0.00 54.58 51.56 3ibr n ASN 11 Cb 1.13 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 3ibr n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibr n GLU 13 N -4.49 0.26 -0.05 0.00 -0.00 -1.26 -3.51 120.64 111.59 3ibr n GLU 13 Ca -0.07 0.01 0.03 0.00 -0.00 0.00 0.00 57.16 57.13 3ibr n GLU 13 Cb 0.42 -1.50 0.06 0.00 -0.00 0.00 0.00 31.44 30.41 3ibr n GLU 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ibr n ASP 14 N -1.37 1.99 -4.66 -1.84 10.43 -1.24 -4.70 116.55 115.16 3ibr n ASP 14 Ca 0.11 -1.60 -0.43 0.00 2.57 0.00 0.00 54.79 55.45 3ibr n ASP 14 Cb 0.28 -0.06 -0.02 0.00 1.84 0.00 0.00 41.12 43.15 3ibr n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3ibr s GLU 15 N -0.75 4.21 -0.96 -1.24 2.12 -1.22 -4.94 118.70 115.92 3ibr s GLU 15 Ca 0.10 1.93 -0.24 0.00 0.36 0.00 0.00 54.97 57.12 3ibr s GLU 15 Cb 0.06 -3.86 0.04 0.00 0.26 0.00 0.00 34.13 30.64 3ibr s GLU 15 CO 0.09 -0.76 1.43 -1.25 -0.54 0.00 0.00 175.26 174.22 3ibr s PRO 16 N 3.69 3.50 0.00 4.30 0.05 -1.26 -4.78 135.00 140.50 3ibr s PRO 16 Ca 0.64 -0.94 0.30 0.00 0.05 0.00 0.00 61.00 61.05 3ibr s PRO 16 Cb -0.28 -5.13 1.45 0.00 0.05 0.00 0.00 34.50 30.59 3ibr s PRO 16 CO 0.22 -2.22 1.99 0.44 0.05 0.00 0.00 177.00 177.49 3ibr n ILE 17 N 6.81 0.00 0.29 0.56 -5.35 -1.26 -3.47 119.36 116.94 3ibr n ILE 17 Ca 0.27 -0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.84 3ibr n ILE 17 Cb 0.51 -0.28 0.15 0.00 -1.74 0.00 0.00 39.64 38.27 3ibr n ILE 17 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3ibr h HIS 18 N 0.34 0.00 -0.47 4.28 2.07 -1.91 -3.38 115.15 116.08 3ibr h HIS 18 Ca 0.00 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.18 3ibr h HIS 18 Cb 0.27 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 29.90 3ibr h HIS 18 CO 0.00 0.00 -0.88 1.55 -3.07 0.00 0.00 177.93 175.53 3ibr n VAL 19 N -2.71 1.87 0.10 6.12 3.14 -1.23 -0.21 118.33 125.42 3ibr n VAL 19 Ca 0.03 -3.39 0.18 0.00 -2.96 0.00 0.00 64.34 58.20 3ibr n VAL 19 Cb 0.51 -0.09 0.73 0.00 -1.06 0.00 0.00 33.84 33.93 3ibr n VAL 19 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3ibr h PRO 20 N 2.01 0.00 -1.26 1.45 0.11 -1.75 -3.44 132.00 129.12 3ibr h PRO 20 Ca 0.11 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.98 3ibr h PRO 20 Cb 1.41 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.48 3ibr h PRO 20 CO 0.41 0.00 -0.27 0.41 -0.21 0.00 0.00 178.00 178.34 3ibr n GLY 21 N -1.54 0.46 3.46 -0.55 0.00 -1.26 -5.01 105.19 100.75 3ibr n GLY 21 Ca 0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3ibr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibr s ALA 22 N -2.54 -0.95 0.09 4.61 0.00 -1.26 -2.25 121.76 119.45 3ibr s ALA 22 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3ibr s ALA 22 Cb 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3ibr s ALA 22 CO 0.00 -0.76 0.00 0.96 0.00 0.00 0.00 175.76 175.96 3ibr s ILE 23 N -3.85 0.21 0.77 0.00 -4.36 -1.26 -2.45 121.20 110.25 3ibr s ILE 23 Ca 0.08 -1.86 -0.11 0.00 -0.26 0.00 0.00 60.65 58.50 3ibr s ILE 23 Cb -0.00 -1.74 0.05 0.00 1.25 0.00 0.00 42.46 42.02 3ibr s ILE 23 CO -0.05 -0.78 1.09 -1.10 0.24 0.00 0.00 174.94 174.33 3ibr s GLN 24 N -3.97 2.30 0.00 0.37 -0.21 -0.20 -4.68 119.66 113.28 3ibr s GLN 24 Ca 0.14 1.10 0.28 0.00 0.02 0.00 0.00 55.36 56.89 3ibr s GLN 24 Cb 0.08 -1.91 0.99 0.00 1.00 0.00 0.00 33.01 33.17 3ibr s GLN 24 CO -0.05 -1.59 1.72 -2.30 -2.12 0.00 0.00 175.29 170.95 3ibr n PRO 25 N -3.48 0.50 0.00 2.91 -0.02 -1.26 -4.09 135.00 129.56 3ibr n PRO 25 Ca 0.09 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3ibr n PRO 25 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3ibr n PRO 25 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3ibr n HIS 26 N -1.06 0.00 -3.34 6.00 1.44 -1.26 -4.77 115.22 112.23 3ibr n HIS 26 Ca 0.11 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3ibr n HIS 26 Cb 0.31 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.40 3ibr n HIS 26 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ibr n GLY 27 N 0.34 1.46 3.14 -1.39 0.00 -1.26 -3.32 105.19 104.16 3ibr n GLY 27 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 3ibr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibr s ALA 28 N -1.02 0.10 -0.03 4.61 0.00 -0.35 -4.93 121.76 120.14 3ibr s ALA 28 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3ibr s ALA 28 Cb -0.00 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3ibr s ALA 28 CO 0.00 -0.40 -0.23 -1.17 0.00 0.00 0.00 175.76 173.96 3ibr s LEU 29 N -2.68 2.04 -0.04 0.00 2.96 -1.26 -0.50 118.68 119.19 3ibr s LEU 29 Ca 0.03 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3ibr s LEU 29 Cb 0.04 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.55 3ibr s LEU 29 CO -0.09 0.26 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 3ibr s VAL 30 N -0.43 0.97 0.13 1.68 1.01 -0.35 0.36 120.40 123.79 3ibr s VAL 30 Ca 0.06 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.69 3ibr s VAL 30 Cb -0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3ibr s VAL 30 CO 0.00 0.30 -0.17 0.42 0.00 0.00 0.00 175.10 175.65 3ibr s THR 31 N 0.36 2.85 0.04 3.92 -4.23 0.46 0.47 115.64 119.51 3ibr s THR 31 Ca -0.07 -1.58 -0.10 0.00 -1.18 0.00 0.00 61.69 58.76 3ibr s THR 31 Cb -0.12 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.40 3ibr s THR 31 CO 0.02 0.05 0.21 -0.76 -0.54 0.00 0.00 174.62 173.59 3ibr s LEU 32 N -2.30 1.29 0.92 4.79 1.02 0.86 -1.04 118.68 124.21 3ibr s LEU 32 Ca 0.19 -0.34 -0.12 0.00 0.02 0.00 0.00 54.13 53.89 3ibr s LEU 32 Cb -0.10 1.02 0.20 0.00 0.02 0.00 0.00 46.19 47.33 3ibr s LEU 32 CO 0.11 -0.56 1.25 0.00 0.02 0.00 0.00 176.35 177.16 3ibr s ARG 33 N -2.55 0.74 0.50 1.70 1.70 -1.26 -0.18 118.95 119.60 3ibr s ARG 33 Ca -0.05 -0.74 0.23 0.00 -0.47 0.00 0.00 55.73 54.70 3ibr s ARG 33 Cb -0.01 -1.98 1.25 0.00 -0.57 0.00 0.00 34.95 33.64 3ibr s ARG 33 CO -0.04 -2.26 1.66 0.00 -1.08 0.00 0.00 175.30 173.58 3ibr h ALA 34 N -1.40 1.24 -0.16 7.88 0.00 -1.97 0.96 119.26 125.82 3ibr h ALA 34 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ibr h ALA 34 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ibr h ALA 34 CO 0.34 -0.24 0.00 -0.40 0.00 0.00 0.00 179.25 178.95 3ibr n ASP 35 N -2.51 2.80 -0.28 0.00 5.75 -1.26 -4.89 116.55 116.16 3ibr n ASP 35 Ca -0.02 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3ibr n ASP 35 Cb 0.32 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3ibr n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ibr n GLY 36 N 1.09 0.20 3.09 6.12 0.00 0.33 -5.13 105.19 110.89 3ibr n GLY 36 Ca 0.13 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3ibr n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibr s VAL 38 N -0.15 2.10 -0.12 1.61 1.01 0.19 -4.57 120.40 120.47 3ibr s VAL 38 Ca 0.00 -1.28 0.16 0.00 0.00 0.00 0.00 61.98 60.86 3ibr s VAL 38 Cb 0.00 -2.06 -0.23 0.00 0.00 0.00 0.00 36.38 34.09 3ibr s VAL 38 CO 0.00 0.25 0.46 0.18 0.00 0.00 0.00 175.10 175.99 3ibr n LEU 39 N 4.53 0.48 -3.60 3.92 4.77 -0.21 -1.07 117.00 125.83 3ibr n LEU 39 Ca -0.17 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 3ibr n LEU 39 Cb 0.46 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 3ibr n LEU 39 CO 0.23 0.35 0.88 0.00 -1.33 0.00 0.00 177.39 177.53 3ibr s ALA 40 N -2.69 -1.97 0.05 -1.18 0.00 -1.18 -4.25 121.76 110.55 3ibr s ALA 40 Ca -0.07 1.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 3ibr s ALA 40 Cb 0.08 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.49 3ibr s ALA 40 CO 0.83 -0.78 0.49 0.00 0.00 0.00 0.00 175.76 176.30 3ibr s ALA 41 N -2.76 -1.23 0.76 0.00 0.00 -0.74 -0.40 121.76 117.38 3ibr s ALA 41 Ca 0.09 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 3ibr s ALA 41 Cb 0.00 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.56 3ibr s ALA 41 CO -0.05 -0.50 1.18 -1.54 0.00 0.00 0.00 175.76 174.86 3ibr s SER 42 N -2.01 4.08 0.00 0.00 1.04 0.16 -2.27 113.70 114.69 3ibr s SER 42 Ca -0.05 2.28 0.30 0.00 0.48 0.00 0.00 55.95 58.96 3ibr s SER 42 Cb -0.01 -2.58 1.61 0.00 0.10 0.00 0.00 66.02 65.15 3ibr s SER 42 CO -0.02 -2.33 2.09 -1.84 0.98 0.00 0.00 173.24 172.11 3ibr n GLU 43 N -2.97 0.58 0.00 4.02 0.28 0.38 -3.24 120.64 119.68 3ibr n GLU 43 Ca 0.13 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.24 3ibr n GLU 43 Cb 0.51 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.91 3ibr n GLU 43 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3ibr n ASN 44 N -1.21 2.37 -0.10 -1.84 6.94 -1.26 -4.58 115.26 115.58 3ibr n ASN 44 Ca 0.17 -1.68 -0.10 0.00 -0.02 0.00 0.00 54.58 52.94 3ibr n ASN 44 Cb 0.20 0.31 -0.07 0.00 -2.36 0.00 0.00 39.78 37.86 3ibr n ASN 44 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3ibr h ILE 45 N 3.22 0.00 -0.66 1.53 -0.00 -1.89 0.44 117.51 120.16 3ibr h ILE 45 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 64.86 64.99 3ibr h ILE 45 Cb 0.84 0.00 -0.13 0.00 -0.00 0.00 0.00 36.82 37.53 3ibr h ILE 45 CO 0.00 0.00 -0.22 -0.61 -0.00 0.00 0.00 178.15 177.32 3ibr h GLN 46 N -0.30 -0.05 -0.07 0.16 4.15 -1.77 1.66 115.11 118.88 3ibr h GLN 46 Ca 0.05 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.51 3ibr h GLN 46 Cb 0.45 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 3ibr h GLN 46 CO -0.44 -0.03 -0.16 0.00 -1.93 0.00 0.00 178.83 176.26 3ibr h ALA 47 N 1.47 -0.14 -0.38 3.38 0.00 -1.46 -0.72 119.26 121.40 3ibr h ALA 47 Ca 0.30 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3ibr h ALA 47 Cb 0.52 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ibr h ALA 47 CO -0.70 -0.64 -0.29 1.25 0.00 0.00 0.00 179.25 178.88 3ibr h LEU 48 N -0.23 0.92 0.00 0.00 5.85 0.21 -3.42 115.31 118.63 3ibr h LEU 48 Ca 0.08 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3ibr h LEU 48 Cb 0.34 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3ibr h LEU 48 CO -0.21 1.16 -0.58 0.18 -0.34 0.00 0.00 178.44 178.65 3ibr n LEU 49 N -4.16 0.00 -0.58 2.25 4.77 0.54 -4.83 117.00 115.00 3ibr n LEU 49 Ca -0.02 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 3ibr n LEU 49 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3ibr n LEU 49 CO 0.46 0.00 -0.07 0.61 -1.33 0.00 0.00 177.39 177.07 3ibr n GLY 50 N 1.52 0.63 3.76 -0.72 0.00 -0.29 -4.69 105.19 105.40 3ibr n GLY 50 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 3ibr n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ibr s PHE 51 N -2.27 2.88 -0.65 1.61 5.99 -1.26 -5.00 117.98 119.27 3ibr s PHE 51 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 56.93 56.74 3ibr s PHE 51 Cb 0.00 -1.48 0.18 0.00 0.00 0.00 0.00 43.02 41.72 3ibr s PHE 51 CO 0.00 0.44 0.50 0.28 -0.00 0.00 0.00 175.22 176.44 3ibr n VAL 52 N -1.14 1.19 -1.68 3.12 0.31 -1.26 -2.88 118.33 115.99 3ibr n VAL 52 Ca -0.05 -4.65 -0.55 0.00 -0.01 0.00 0.00 64.34 59.08 3ibr n VAL 52 Cb 0.59 -2.09 -0.07 0.00 -0.91 0.00 0.00 33.84 31.37 3ibr n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibr n ALA 53 N 1.98 0.12 -2.83 3.52 0.00 -1.26 -4.93 120.51 117.11 3ibr n ALA 53 Ca 0.23 0.33 -0.23 0.00 0.00 0.00 0.00 53.44 53.76 3ibr n ALA 53 Cb 0.38 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 17.37 3ibr n ALA 53 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ibr s SER 54 N 4.03 1.67 0.07 0.00 1.04 -1.26 -4.78 113.70 114.47 3ibr s SER 54 Ca 0.99 -0.26 -0.35 0.00 0.48 0.00 0.00 55.95 56.81 3ibr s SER 54 Cb -0.99 -0.36 -0.14 0.00 0.10 0.00 0.00 66.02 64.63 3ibr s SER 54 CO 0.62 0.13 1.62 -2.65 0.98 0.00 0.00 173.24 173.94 3ibr n PRO 55 N 3.05 1.94 0.00 4.02 -0.02 -1.25 -0.40 135.00 142.34 3ibr n PRO 55 Ca -0.17 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3ibr n PRO 55 Cb 0.54 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3ibr n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ibr n GLY 56 N 3.54 3.27 3.75 -1.23 0.00 -0.23 -4.98 105.19 109.31 3ibr n GLY 56 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3ibr n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ibr s SER 57 N -1.16 4.08 0.02 1.61 0.15 0.46 -4.70 113.70 114.16 3ibr s SER 57 Ca 0.00 1.73 0.09 0.00 0.70 0.00 0.00 55.95 58.47 3ibr s SER 57 Cb 0.00 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 3ibr s SER 57 CO 0.00 -2.29 -0.26 -0.31 1.20 0.00 0.00 173.24 171.58 3ibr s TYR 58 N -2.90 2.32 0.69 3.44 2.02 -1.26 -0.64 117.35 121.03 3ibr s TYR 58 Ca 0.62 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.75 3ibr s TYR 58 Cb -0.18 -1.44 0.02 0.00 -0.40 0.00 0.00 41.96 39.96 3ibr s TYR 58 CO 0.56 0.06 1.15 -0.51 -1.57 0.00 0.00 175.55 175.24 3ibr s LEU 59 N -0.98 3.36 0.03 -1.29 2.01 -1.26 -5.02 118.68 115.52 3ibr s LEU 59 Ca 0.11 2.15 0.01 0.00 0.01 0.00 0.00 54.13 56.41 3ibr s LEU 59 Cb -0.10 -4.57 -0.02 0.00 0.01 0.00 0.00 46.19 41.51 3ibr s LEU 59 CO 0.01 -1.90 -0.05 0.42 1.01 0.00 0.00 176.35 175.84 3ibr s THR 60 N -2.18 0.30 0.50 5.49 -4.23 -1.26 -5.03 115.64 109.23 3ibr s THR 60 Ca 0.70 -1.00 0.43 0.00 -1.18 0.00 0.00 61.69 60.65 3ibr s THR 60 Cb -0.24 -0.43 0.65 0.00 1.34 0.00 0.00 72.50 73.82 3ibr s THR 60 CO 0.43 -0.46 1.49 0.00 -0.54 0.00 0.00 174.62 175.54 3ibr n GLN 61 N 1.52 -0.01 -0.06 3.99 6.02 -1.26 -1.14 117.38 126.44 3ibr n GLN 61 Ca -0.23 1.09 0.02 0.00 -0.01 0.00 0.00 57.00 57.86 3ibr n GLN 61 Cb 0.55 -2.39 0.05 0.00 1.02 0.00 0.00 30.24 29.47 3ibr n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3ibr n GLU 62 N -4.07 1.26 0.00 -1.09 4.71 -1.26 -0.60 120.64 119.59 3ibr n GLU 62 Ca 0.42 -0.40 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3ibr n GLU 62 Cb 1.81 -1.09 0.00 0.00 -1.01 0.00 0.00 31.44 31.15 3ibr n GLU 62 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3ibr n GLN 63 N -0.18 4.12 0.00 3.49 3.00 -0.29 -4.90 117.38 122.62 3ibr n GLN 63 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3ibr n GLN 63 Cb 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 30.24 29.81 3ibr n GLN 63 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 3ibr n VAL 64 N -0.32 0.00 0.00 5.09 3.14 -1.19 -4.87 118.33 120.18 3ibr n VAL 64 Ca 0.00 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 3ibr n VAL 64 Cb 0.00 0.38 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 3ibr n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ibr n GLY 65 N 1.43 -1.17 0.23 7.55 0.00 0.23 -4.23 105.19 109.24 3ibr n GLY 65 Ca 0.00 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.64 3ibr n GLY 65 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ibr h PRO 66 N 0.00 0.00 -0.42 1.61 0.11 -1.94 -2.96 132.00 128.40 3ibr h PRO 66 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3ibr h PRO 66 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3ibr h PRO 66 CO 0.00 0.18 0.08 0.93 -0.21 0.00 0.00 178.00 178.98 3ibr h GLU 67 N 0.00 0.69 0.82 1.05 5.08 -1.96 0.29 114.58 120.55 3ibr h GLU 67 Ca -0.00 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3ibr h GLU 67 Cb 0.68 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3ibr h GLU 67 CO 0.02 0.72 -0.40 0.28 -1.00 0.00 0.00 179.01 178.63 3ibr h VAL 68 N 0.55 0.05 -0.60 3.13 2.07 -1.69 -3.26 116.25 116.50 3ibr h VAL 68 Ca 0.13 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3ibr h VAL 68 Cb 0.35 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 3ibr h VAL 68 CO 0.01 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.79 3ibr h LEU 69 N -1.26 0.30 -0.54 2.57 3.38 -1.50 0.31 115.31 118.57 3ibr h LEU 69 Ca -0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ibr h LEU 69 Cb 0.86 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3ibr h LEU 69 CO 0.19 0.19 0.00 -1.14 0.09 0.00 0.00 178.44 177.76 3ibr n ARG 70 N -4.95 0.00 0.00 1.13 0.63 0.10 -0.68 116.66 112.90 3ibr n ARG 70 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3ibr n ARG 70 Cb 0.24 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.28 3ibr n ARG 70 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3ibr n LEU 72 N 0.02 0.00 -0.23 6.15 7.94 0.11 -2.75 117.00 128.24 3ibr n LEU 72 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3ibr n LEU 72 Cb 0.00 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.06 3ibr n LEU 72 CO 0.00 0.00 1.08 -0.33 -1.11 0.00 0.00 177.39 177.03 3ibr h GLU 73 N 0.00 0.64 0.00 1.96 4.39 -1.14 0.30 114.58 120.73 3ibr h GLU 73 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3ibr h GLU 73 Cb 0.00 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3ibr h GLU 73 CO 0.00 0.42 0.00 -0.85 -1.16 0.00 0.00 179.01 177.42 3ibr n GLU 74 N -4.81 0.13 0.04 2.33 0.28 -1.11 -1.01 120.64 116.49 3ibr n GLU 74 Ca 0.09 0.35 -0.22 0.00 -0.16 0.00 0.00 57.16 57.22 3ibr n GLU 74 Cb 0.20 -1.75 -0.14 0.00 1.43 0.00 0.00 31.44 31.18 3ibr n GLU 74 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3ibr h GLY 75 N 2.52 0.36 1.66 -1.84 0.00 -1.15 -3.21 103.07 101.40 3ibr h GLY 75 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 47.33 46.31 3ibr h GLY 75 CO 0.00 0.80 -0.33 1.41 0.00 0.00 0.00 176.54 178.42 3ibr h LEU 76 N -0.14 0.40 -3.15 3.11 4.07 0.63 -2.81 115.31 117.41 3ibr h LEU 76 Ca -0.31 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3ibr h LEU 76 Cb 1.89 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.52 3ibr h LEU 76 CO 0.11 0.71 0.00 0.35 -1.08 0.00 0.00 178.44 178.53 3ibr n THR 77 N -4.08 1.85 -3.46 0.22 -2.24 -0.18 -4.94 114.28 101.45 3ibr n THR 77 Ca -0.01 -1.21 -0.25 0.00 -2.27 0.00 0.00 64.05 60.31 3ibr n THR 77 Cb 0.44 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 3ibr n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ibr s GLY 78 N -0.92 1.46 -0.22 3.38 0.00 -1.06 -5.02 107.32 104.92 3ibr s GLY 78 Ca 0.51 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 3ibr s GLY 78 CO 0.25 -0.82 -0.08 0.70 0.00 0.00 0.00 173.10 173.15 3ibr n ASN 79 N -1.50 2.02 -3.98 1.64 3.02 -1.26 -5.01 115.26 110.19 3ibr n ASN 79 Ca -0.05 -0.02 -0.14 0.00 -0.03 0.00 0.00 54.58 54.34 3ibr n ASN 79 Cb 0.56 -0.55 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 3ibr n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ibr n GLY 80 N 2.14 1.61 3.68 7.41 0.00 -1.26 -5.00 105.19 113.77 3ibr n GLY 80 Ca -0.43 -2.15 -0.54 0.00 0.00 0.00 0.00 46.02 42.91 3ibr n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ibr n PRO 81 N -1.99 1.45 -3.59 1.61 -0.02 -1.26 -4.91 135.00 126.28 3ibr n PRO 81 Ca 0.11 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 3ibr n PRO 81 Cb 0.42 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3ibr n PRO 81 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3ibr s TRP 82 N 2.96 3.59 -0.27 6.00 -0.00 -1.26 -4.96 118.94 124.99 3ibr s TRP 82 Ca 0.93 0.78 -0.22 0.00 -0.00 0.00 0.00 56.10 57.59 3ibr s TRP 82 Cb -0.94 -2.15 0.08 0.00 -0.00 0.00 0.00 33.47 30.46 3ibr s TRP 82 CO 0.57 0.54 0.73 0.45 -0.00 0.00 0.00 176.95 179.25 3ibr s SER 83 N -1.70 -0.79 0.00 5.86 0.15 -1.26 -1.72 113.70 114.24 3ibr s SER 83 Ca 0.32 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.39 3ibr s SER 83 Cb -0.14 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 3ibr s SER 83 CO 0.17 -0.24 0.00 -3.20 1.20 0.00 0.00 173.24 171.18 3ibr n ASN 84 N 3.21 0.00 -3.64 5.45 5.15 -0.89 -4.97 115.26 119.57 3ibr n ASN 84 Ca -0.16 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.78 3ibr n ASN 84 Cb 0.56 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 3ibr n ASN 84 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3ibr s SER 85 N 0.00 -0.21 -0.12 1.20 1.04 -1.26 -0.73 113.70 113.62 3ibr s SER 85 Ca 0.00 -0.20 -0.20 0.00 0.48 0.00 0.00 55.95 56.03 3ibr s SER 85 Cb 0.00 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.54 3ibr s SER 85 CO 0.00 -0.66 0.50 -0.69 0.98 0.00 0.00 173.24 173.37 3ibr s VAL 86 N -3.02 0.01 -0.97 5.02 1.01 -0.83 -5.02 120.40 116.60 3ibr s VAL 86 Ca 0.10 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 3ibr s VAL 86 Cb -0.00 -0.76 0.24 0.00 0.00 0.00 0.00 36.38 35.87 3ibr s VAL 86 CO -0.03 -0.06 0.92 -0.70 0.00 0.00 0.00 175.10 175.22 3ibr s GLU 87 N -0.41 3.76 0.31 2.72 2.12 -1.26 -2.28 118.70 123.66 3ibr s GLU 87 Ca -0.06 -2.99 0.05 0.00 0.36 0.00 0.00 54.97 52.33 3ibr s GLU 87 Cb -0.03 -4.35 -0.02 0.00 0.26 0.00 0.00 34.13 29.99 3ibr s GLU 87 CO 0.03 -1.25 0.46 -0.08 -0.54 0.00 0.00 175.26 173.88 3ibr s THR 88 N -0.84 4.66 -0.21 -1.70 -1.32 -1.14 -4.87 115.64 110.23 3ibr s THR 88 Ca 0.26 -0.88 -0.04 0.00 -1.21 0.00 0.00 61.69 59.82 3ibr s THR 88 Cb -0.10 -3.65 -0.02 0.00 -1.51 0.00 0.00 72.50 67.22 3ibr s THR 88 CO -0.09 -0.29 -0.02 -0.60 -2.21 0.00 0.00 174.62 171.41 3ibr s ARG 89 N -4.15 3.51 0.50 7.08 3.52 -1.26 -0.55 118.95 127.58 3ibr s ARG 89 Ca 0.40 -0.57 0.07 0.00 -0.13 0.00 0.00 55.73 55.51 3ibr s ARG 89 Cb -0.09 -3.05 0.07 0.00 -1.56 0.00 0.00 34.95 30.32 3ibr s ARG 89 CO 0.32 -0.08 0.61 -0.89 -0.81 0.00 0.00 175.30 174.44 3ibr n ILE 90 N 4.50 0.00 -0.11 4.11 5.41 0.09 -4.91 119.36 128.45 3ibr n ILE 90 Ca -0.18 -1.73 -0.11 0.00 1.00 0.00 0.00 62.75 61.74 3ibr n ILE 90 Cb 0.51 -0.46 -0.05 0.00 -0.71 0.00 0.00 39.64 38.93 3ibr n ILE 90 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3ibr h GLY 91 N 0.20 -0.60 0.94 7.39 0.00 -1.89 -3.05 103.07 106.06 3ibr h GLY 91 Ca -0.25 0.55 -0.32 0.00 0.00 0.00 0.00 47.33 47.31 3ibr h GLY 91 CO 0.37 -0.19 -1.75 0.83 0.00 0.00 0.00 176.54 175.81 3ibr h GLU 92 N -0.36 0.13 -4.33 4.80 4.39 -1.90 -3.48 114.58 113.83 3ibr h GLU 92 Ca 0.12 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 3ibr h GLU 92 Cb 0.59 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.18 3ibr h GLU 92 CO -0.55 0.86 -0.67 -1.01 -1.16 0.00 0.00 179.01 176.48 3ibr s HIS 93 N -2.59 0.67 0.20 4.33 3.76 -1.15 -5.15 115.29 115.36 3ibr s HIS 93 Ca -0.11 -1.13 -0.11 0.00 -0.15 0.00 0.00 55.06 53.56 3ibr s HIS 93 Cb 0.07 -0.43 -0.07 0.00 1.11 0.00 0.00 32.58 33.26 3ibr s HIS 93 CO 0.81 -0.43 0.55 -1.17 -0.85 0.00 0.00 174.74 173.65 3ibr s LEU 94 N -2.98 4.22 0.06 0.89 0.20 -1.26 -0.73 118.68 119.08 3ibr s LEU 94 Ca 0.14 0.97 0.03 0.00 0.69 0.00 0.00 54.13 55.96 3ibr s LEU 94 Cb 0.08 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.26 3ibr s LEU 94 CO -0.05 -0.02 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.53 3ibr s PHE 95 N -1.70 0.89 -0.45 5.38 0.40 0.28 -2.37 117.98 120.40 3ibr s PHE 95 Ca 0.44 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 56.12 3ibr s PHE 95 Cb -0.12 -0.51 0.08 0.00 0.51 0.00 0.00 43.02 42.97 3ibr s PHE 95 CO 0.20 -0.03 0.35 -0.51 0.70 0.00 0.00 175.22 175.93 3ibr s ASP 96 N -1.80 5.94 -0.35 1.36 1.01 0.11 -2.86 116.67 120.08 3ibr s ASP 96 Ca -0.05 -1.43 -0.13 0.00 0.71 0.00 0.00 52.55 51.65 3ibr s ASP 96 Cb -0.08 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 3ibr s ASP 96 CO 0.01 -0.62 0.24 -0.69 0.21 0.00 0.00 175.17 174.32 3ibr s VAL 97 N 1.55 5.18 -0.18 -1.27 1.01 -0.96 -0.28 120.40 125.44 3ibr s VAL 97 Ca 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3ibr s VAL 97 Cb -0.24 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3ibr s VAL 97 CO 0.05 -0.04 -0.09 0.27 0.00 0.00 0.00 175.10 175.29 3ibr s ILE 98 N 1.70 3.17 0.32 2.22 -4.36 0.11 -1.97 121.20 122.39 3ibr s ILE 98 Ca 0.06 -0.59 0.09 0.00 -0.26 0.00 0.00 60.65 59.95 3ibr s ILE 98 Cb -0.18 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 3ibr s ILE 98 CO 0.10 0.47 0.09 -0.83 0.24 0.00 0.00 174.94 175.01 3ibr s GLY 99 N 1.00 1.90 -0.22 6.27 0.00 0.09 -0.84 107.32 115.52 3ibr s GLY 99 Ca -0.01 -1.81 -0.31 0.00 0.00 0.00 0.00 44.72 42.59 3ibr s GLY 99 CO -0.01 -1.77 1.21 -2.38 0.00 0.00 0.00 173.10 170.15 3ibr s HIS 100 N -2.42 -0.17 -0.08 1.90 -3.43 -1.08 -2.10 115.29 107.91 3ibr s HIS 100 Ca 0.36 0.26 -0.00 0.00 -0.80 0.00 0.00 55.06 54.87 3ibr s HIS 100 Cb -0.03 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.58 3ibr s HIS 100 CO 0.22 -0.17 -0.05 -1.54 -2.00 0.00 0.00 174.74 171.19 3ibr s SER 101 N -1.27 4.80 -0.03 7.38 1.04 -0.70 -1.51 113.70 123.41 3ibr s SER 101 Ca 0.05 0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 3ibr s SER 101 Cb -0.01 -1.32 0.01 0.00 0.10 0.00 0.00 66.02 64.80 3ibr s SER 101 CO -0.04 0.34 0.17 -0.47 0.98 0.00 0.00 173.24 174.22 3ibr s TYR 102 N -0.68 -0.08 0.00 5.02 5.04 -0.19 -4.42 117.35 122.04 3ibr s TYR 102 Ca 0.10 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 3ibr s TYR 102 Cb -0.11 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.21 3ibr s TYR 102 CO 0.02 -0.21 0.00 1.63 -1.34 0.00 0.00 175.55 175.65 3ibr n LYS 103 N 2.14 0.00 -2.97 4.97 4.76 -1.26 -2.13 118.16 123.67 3ibr n LYS 103 Ca -0.18 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.00 3ibr n LYS 103 Cb 0.57 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.72 3ibr n LYS 103 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3ibr n GLU 104 N 14.00 3.02 -3.74 1.97 1.02 -1.26 -5.01 120.64 130.64 3ibr n GLU 104 Ca 0.00 -4.72 -0.13 0.00 -0.02 0.00 0.00 57.16 52.28 3ibr n GLU 104 Cb 0.00 -2.19 -0.10 0.00 -0.02 0.00 0.00 31.44 29.13 3ibr n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ibr s VAL 105 N -4.26 0.01 -0.18 2.62 1.01 -0.91 -4.43 120.40 114.27 3ibr s VAL 105 Ca 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 3ibr s VAL 105 Cb 0.29 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 3ibr s VAL 105 CO -0.13 -0.06 -0.09 -0.36 0.00 0.00 0.00 175.10 174.46 3ibr s PHE 106 N -0.16 2.89 -0.14 5.22 0.40 0.75 -1.02 117.98 125.92 3ibr s PHE 106 Ca -0.03 -0.81 -0.05 0.00 -0.60 0.00 0.00 56.93 55.43 3ibr s PHE 106 Cb -0.03 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 3ibr s PHE 106 CO 0.02 -0.39 0.05 0.71 0.70 0.00 0.00 175.22 176.31 3ibr s TYR 107 N 0.92 3.26 -0.27 0.36 2.02 -0.57 -0.10 117.35 122.97 3ibr s TYR 107 Ca -0.02 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 3ibr s TYR 107 Cb -0.15 -1.96 0.05 0.00 -0.40 0.00 0.00 41.96 39.51 3ibr s TYR 107 CO 0.00 0.33 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.72 3ibr s LEU 108 N -0.23 3.51 -0.19 -1.29 1.43 0.18 -2.63 118.68 119.45 3ibr s LEU 108 Ca 0.07 -1.29 -0.06 0.00 -1.03 0.00 0.00 54.13 51.82 3ibr s LEU 108 Cb -0.12 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3ibr s LEU 108 CO 0.02 -0.20 0.03 -1.61 0.23 0.00 0.00 176.35 174.82 3ibr s GLU 109 N 1.17 3.82 -0.44 1.70 2.02 -0.02 -1.21 118.70 125.74 3ibr s GLU 109 Ca -0.07 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.40 3ibr s GLU 109 Cb -0.19 -3.15 0.09 0.00 0.10 0.00 0.00 34.13 30.98 3ibr s GLU 109 CO -0.04 0.17 0.30 -0.06 0.02 0.00 0.00 175.26 175.65 3ibr s PHE 110 N 0.62 3.34 -0.10 1.61 0.40 0.34 0.06 117.98 124.25 3ibr s PHE 110 Ca 0.01 -1.52 -0.03 0.00 -0.60 0.00 0.00 56.93 54.80 3ibr s PHE 110 Cb -0.13 -3.12 -0.03 0.00 0.51 0.00 0.00 43.02 40.24 3ibr s PHE 110 CO 0.02 -0.88 0.02 -2.00 0.70 0.00 0.00 175.22 173.08 3ibr s GLU 111 N 1.44 3.10 -0.31 0.44 2.12 0.62 -1.21 118.70 124.90 3ibr s GLU 111 Ca 0.04 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 3ibr s GLU 111 Cb -0.24 -2.86 0.01 0.00 0.26 0.00 0.00 34.13 31.30 3ibr s GLU 111 CO 0.02 0.68 1.22 0.42 -0.54 0.00 0.00 175.26 177.06 3ibr s ILE 112 N -0.81 4.27 0.16 -3.70 -1.09 -1.21 0.07 121.20 118.89 3ibr s ILE 112 Ca 0.12 1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 59.69 3ibr s ILE 112 Cb -0.12 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.44 3ibr s ILE 112 CO 0.02 -0.48 1.00 -0.60 -1.23 0.00 0.00 174.94 173.65 3ibr s ARG 113 N 3.97 4.70 -0.40 2.79 3.52 -1.00 -4.82 118.95 127.72 3ibr s ARG 113 Ca 0.52 1.54 0.07 0.00 -0.13 0.00 0.00 55.73 57.74 3ibr s ARG 113 Cb -0.15 -3.33 0.24 0.00 -1.56 0.00 0.00 34.95 30.15 3ibr s ARG 113 CO 0.20 0.23 0.51 2.41 -0.81 0.00 0.00 175.30 177.84 3ibr n THR 114 N 2.39 -0.75 -3.49 4.11 -1.04 -1.26 -4.65 114.28 109.59 3ibr n THR 114 Ca 0.02 -3.82 0.00 0.00 -2.04 0.00 0.00 64.05 58.20 3ibr n THR 114 Cb 0.48 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3ibr n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ibr n ALA 115 N 1.63 0.00 -1.99 2.41 0.00 -1.26 -5.11 120.51 116.20 3ibr n ALA 115 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.41 3ibr n ALA 115 Cb 0.53 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.12 3ibr n ALA 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ibr s ASP 116 N -0.71 3.84 0.03 0.00 2.15 -1.26 -5.05 116.67 115.67 3ibr s ASP 116 Ca 0.00 -0.35 -0.30 0.00 0.43 0.00 0.00 52.55 52.33 3ibr s ASP 116 Cb 0.00 0.16 -0.04 0.00 -0.30 0.00 0.00 42.92 42.74 3ibr s ASP 116 CO 0.00 -2.22 1.05 -0.89 -0.17 0.00 0.00 175.17 172.94 3ibr s THR 117 N -3.38 4.55 -0.39 1.71 2.01 -1.26 -4.99 115.64 113.89 3ibr s THR 117 Ca 0.70 1.86 -0.29 0.00 0.31 0.00 0.00 61.69 64.28 3ibr s THR 117 Cb -0.04 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.29 3ibr s THR 117 CO 0.47 0.16 1.53 -0.22 -0.69 0.00 0.00 174.62 175.87 3ibr s LEU 118 N 0.90 3.56 0.43 4.42 2.96 -1.26 -4.98 118.68 124.71 3ibr s LEU 118 Ca 0.54 0.97 -0.23 0.00 -0.22 0.00 0.00 54.13 55.19 3ibr s LEU 118 Cb -0.24 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.81 3ibr s LEU 118 CO 0.29 -1.52 0.88 -1.20 -1.32 0.00 0.00 176.35 173.48 3ibr n SER 119 N 9.26 0.63 0.23 3.68 7.64 -1.26 -4.69 113.62 129.11 3ibr n SER 119 Ca 0.18 0.99 0.10 0.00 1.01 0.00 0.00 58.87 61.15 3ibr n SER 119 Cb 0.48 -1.29 0.53 0.00 -1.01 0.00 0.00 64.21 62.92 3ibr n SER 119 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3ibr h ILE 120 N 1.27 0.00 0.00 0.44 2.04 -2.00 0.45 117.51 119.71 3ibr h ILE 120 Ca -0.43 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 3ibr h ILE 120 Cb 1.36 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3ibr h ILE 120 CO 0.55 0.00 -0.62 0.74 0.00 0.00 0.00 178.15 178.82 3ibr h THR 121 N 0.00 0.44 -0.88 -0.27 2.02 -2.00 -3.23 112.91 108.99 3ibr h THR 121 Ca 0.00 -1.49 0.18 0.00 0.77 0.00 0.00 66.41 65.87 3ibr h THR 121 Cb 0.59 0.99 -0.11 0.00 -1.74 0.00 0.00 68.15 67.89 3ibr h THR 121 CO 0.00 0.15 0.43 0.28 0.37 0.00 0.00 175.52 176.75 3ibr h SER 122 N -1.00 0.46 -0.36 4.18 0.02 -1.57 0.51 113.55 115.78 3ibr h SER 122 Ca -0.11 0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 3ibr h SER 122 Cb 0.73 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.24 3ibr h SER 122 CO -0.07 0.13 -0.24 0.15 -1.14 0.00 0.00 176.83 175.67 3ibr h PHE 123 N 0.53 -0.62 -0.33 3.45 3.57 -1.12 -2.35 116.94 120.07 3ibr h PHE 123 Ca 0.51 0.05 0.06 0.00 3.53 0.00 0.00 57.97 62.11 3ibr h PHE 123 Cb 0.84 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 3ibr h PHE 123 CO -0.11 -0.31 0.01 1.15 -2.23 0.00 0.00 178.31 176.82 3ibr h THR 124 N -0.18 0.77 0.00 4.41 2.02 -0.03 -2.38 112.91 117.51 3ibr h THR 124 Ca 0.18 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 3ibr h THR 124 Cb 0.46 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3ibr h THR 124 CO -0.47 0.02 -0.16 0.25 0.37 0.00 0.00 175.52 175.52 3ibr h LEU 125 N 0.10 0.00 0.72 2.58 6.46 -0.95 0.40 115.31 124.62 3ibr h LEU 125 Ca 0.16 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3ibr h LEU 125 Cb 0.21 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.15 3ibr h LEU 125 CO -0.26 0.16 -0.35 0.78 -0.62 0.00 0.00 178.44 178.16 3ibr h ASN 126 N 0.00 -0.82 -0.32 1.25 4.21 -1.00 0.42 115.58 119.32 3ibr h ASN 126 Ca -0.00 0.03 0.06 0.00 1.21 0.00 0.00 56.30 57.59 3ibr h ASN 126 Cb 0.42 0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.78 3ibr h ASN 126 CO 0.02 -0.58 -0.01 0.00 -1.29 0.00 0.00 177.43 175.57 3ibr h ALA 127 N -0.69 0.28 -0.03 -0.83 0.00 -0.82 -2.03 119.26 115.15 3ibr h ALA 127 Ca -0.10 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3ibr h ALA 127 Cb 0.74 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ibr h ALA 127 CO 0.16 -0.41 -0.50 1.96 0.00 0.00 0.00 179.25 180.46 3ibr h GLN 128 N 0.08 0.08 0.00 0.00 4.20 -0.22 -0.70 115.11 118.55 3ibr h GLN 128 Ca 0.16 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3ibr h GLN 128 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3ibr h GLN 128 CO -0.27 0.57 -0.33 -0.09 -0.67 0.00 0.00 178.83 178.04 3ibr h ARG 129 N 0.06 0.00 0.05 1.46 2.43 0.54 -2.44 114.38 116.48 3ibr h ARG 129 Ca -0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 3ibr h ARG 129 Cb 0.92 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 3ibr h ARG 129 CO 0.07 0.33 -2.17 1.51 -1.51 0.00 0.00 179.97 178.20 3ibr n ILE 130 N -3.91 1.61 -0.36 1.20 0.00 -0.87 -3.90 119.36 113.13 3ibr n ILE 130 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 62.75 62.05 3ibr n ILE 130 Cb 0.40 -1.36 0.13 0.00 0.00 0.00 0.00 39.64 38.81 3ibr n ILE 130 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3ibr h ILE 131 N 0.03 1.23 -1.00 9.51 2.04 -1.17 -1.78 117.51 126.38 3ibr h ILE 131 Ca -0.47 -0.45 0.31 0.00 1.00 0.00 0.00 64.86 65.25 3ibr h ILE 131 Cb 2.02 -0.19 -0.15 0.00 -0.74 0.00 0.00 36.82 37.76 3ibr h ILE 131 CO 0.02 0.24 0.57 0.00 0.00 0.00 0.00 178.15 178.98 3ibr h ALA 132 N 1.40 1.93 -0.43 1.87 0.00 -1.55 0.59 119.26 123.06 3ibr h ALA 132 Ca 0.36 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.36 3ibr h ALA 132 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ibr h ALA 132 CO -0.09 -0.54 -0.12 1.96 0.00 0.00 0.00 179.25 180.46 3ibr h GLN 133 N 0.35 0.79 0.00 0.00 1.08 -1.47 -2.90 115.11 112.96 3ibr h GLN 133 Ca 0.72 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 57.61 3ibr h GLN 133 Cb 1.62 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.98 3ibr h GLN 133 CO -0.59 0.87 -0.21 0.28 -0.95 0.00 0.00 178.83 178.23 3ibr h VAL 134 N 0.71 0.96 -0.09 -0.54 2.07 0.16 -3.20 116.25 116.31 3ibr h VAL 134 Ca 0.12 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3ibr h VAL 134 Cb 0.61 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3ibr h VAL 134 CO 0.04 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.84 3ibr n GLN 135 N -4.01 2.24 -0.06 1.57 6.02 -1.08 -4.14 117.38 117.91 3ibr n GLN 135 Ca -0.02 -1.94 -0.14 0.00 -0.01 0.00 0.00 57.00 54.89 3ibr n GLN 135 Cb 0.29 -1.45 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 3ibr n GLN 135 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3ibr h LEU 136 N 4.47 0.60 -9.48 1.08 3.38 -1.55 -3.47 115.31 110.34 3ibr h LEU 136 Ca 0.00 -0.55 -0.67 0.00 0.09 0.00 0.00 57.88 56.75 3ibr h LEU 136 Cb 0.96 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 3ibr h LEU 136 CO 0.00 1.03 -0.55 -1.00 0.09 0.00 0.00 178.44 178.01 3ibr s HIS 137 N -4.06 3.38 -2.76 1.13 3.76 -1.26 -4.99 115.29 110.49 3ibr s HIS 137 Ca -0.13 0.35 0.24 0.00 -0.15 0.00 0.00 55.06 55.37 3ibr s HIS 137 Cb 0.06 -1.85 0.31 0.00 1.11 0.00 0.00 32.58 32.21 3ibr s HIS 137 CO 0.81 0.60 1.33 0.09 -0.85 0.00 0.00 174.74 176.72 3ibr n ASN 138 N 1.94 3.22 -4.56 1.40 4.13 -1.26 -4.88 115.26 115.25 3ibr n ASN 138 Ca -0.18 -2.00 -0.34 0.00 1.68 0.00 0.00 54.58 53.74 3ibr n ASN 138 Cb 0.54 -0.12 -0.11 0.00 -1.54 0.00 0.00 39.78 38.55 3ibr n ASN 138 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ibr s ASP 139 N -1.76 5.14 0.57 6.41 2.15 -1.26 -5.02 116.67 122.90 3ibr s ASP 139 Ca 0.33 -0.04 0.26 0.00 0.43 0.00 0.00 52.55 53.53 3ibr s ASP 139 Cb 0.21 -1.85 1.57 0.00 -0.30 0.00 0.00 42.92 42.56 3ibr s ASP 139 CO 0.31 0.18 2.12 0.00 -0.17 0.00 0.00 175.17 177.60 3ibr h THR 140 N 5.02 0.62 0.01 1.71 1.03 -1.95 -1.99 112.91 117.35 3ibr h THR 140 Ca -0.34 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 65.74 3ibr h THR 140 Cb 1.18 0.88 -0.05 0.00 -1.07 0.00 0.00 68.15 69.09 3ibr h THR 140 CO 0.66 0.00 -1.92 0.00 -0.01 0.00 0.00 175.52 174.24 3ibr n ALA 141 N -2.42 1.45 0.04 0.00 0.00 -1.26 -2.95 120.51 115.37 3ibr n ALA 141 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 3ibr n ALA 141 Cb 0.28 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 3ibr n ALA 141 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ibr h SER 142 N 0.01 -0.07 -0.20 0.00 0.02 -1.94 -1.39 113.55 109.98 3ibr h SER 142 Ca -0.37 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 3ibr h SER 142 Cb 2.07 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 64.60 3ibr h SER 142 CO 0.06 -0.04 -0.26 0.25 -1.14 0.00 0.00 176.83 175.70 3ibr h LEU 143 N -0.04 -0.88 -0.26 5.07 7.12 -1.46 0.21 115.31 125.07 3ibr h LEU 143 Ca 0.01 0.12 0.05 0.00 0.13 0.00 0.00 57.88 58.19 3ibr h LEU 143 Cb 0.06 0.36 -0.05 0.00 -0.53 0.00 0.00 40.66 40.49 3ibr h LEU 143 CO -0.02 -0.19 -0.09 -0.07 -0.13 0.00 0.00 178.44 177.94 3ibr h LEU 144 N -0.18 -0.32 -0.68 2.25 3.38 -1.52 -1.50 115.31 116.74 3ibr h LEU 144 Ca 0.04 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.23 3ibr h LEU 144 Cb 0.28 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 3ibr h LEU 144 CO -0.29 -0.12 0.16 -1.28 0.09 0.00 0.00 178.44 177.01 3ibr h SER 145 N -0.04 0.03 0.41 -0.43 0.87 -0.90 -0.05 113.55 113.43 3ibr h SER 145 Ca 0.13 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 3ibr h SER 145 Cb 0.24 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3ibr h SER 145 CO -0.29 -0.00 -0.20 0.78 -0.53 0.00 0.00 176.83 176.59 3ibr h ASN 146 N 0.28 -0.46 -0.87 6.23 -0.26 -0.16 -2.95 115.58 117.38 3ibr h ASN 146 Ca 0.37 -0.10 0.02 0.00 -0.56 0.00 0.00 56.30 56.03 3ibr h ASN 146 Cb 0.59 0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.93 3ibr h ASN 146 CO -0.45 -0.04 0.58 1.62 -1.06 0.00 0.00 177.43 178.08 3ibr h VAL 147 N -1.02 1.21 -0.92 2.81 3.04 -1.23 -0.52 116.25 119.61 3ibr h VAL 147 Ca -0.06 -0.40 0.18 0.00 -1.01 0.00 0.00 66.70 65.42 3ibr h VAL 147 Cb 0.53 -0.06 -0.11 0.00 -2.01 0.00 0.00 31.29 29.65 3ibr h VAL 147 CO 0.09 0.21 0.49 0.74 -1.01 0.00 0.00 177.57 178.10 3ibr h THR 148 N 1.16 0.65 0.42 3.17 2.02 -1.03 0.27 112.91 119.58 3ibr h THR 148 Ca 0.33 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3ibr h THR 148 Cb -0.10 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.30 3ibr h THR 148 CO -0.08 0.11 -0.20 0.44 0.37 0.00 0.00 175.52 176.16 3ibr h ASP 149 N 0.62 -0.48 -0.53 4.18 3.45 -0.94 -3.28 116.42 119.43 3ibr h ASP 149 Ca 0.53 0.02 0.15 0.00 0.43 0.00 0.00 57.03 58.16 3ibr h ASP 149 Cb 0.86 0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.73 3ibr h ASP 149 CO -0.41 -0.27 0.51 -0.08 -1.57 0.00 0.00 179.24 177.41 3ibr h GLU 150 N -0.70 0.00 -0.34 3.56 4.57 -0.79 0.22 114.58 121.09 3ibr h GLU 150 Ca -0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3ibr h GLU 150 Cb 0.43 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3ibr h GLU 150 CO 0.10 0.00 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.81 3ibr h LEU 151 N 0.00 0.63 0.37 1.64 3.38 -1.04 -3.23 115.31 117.06 3ibr h LEU 151 Ca 0.25 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ibr h LEU 151 Cb 1.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ibr h LEU 151 CO -0.00 0.82 -0.18 -0.09 0.09 0.00 0.00 178.44 179.08 3ibr h ARG 152 N 0.43 -0.48 0.00 1.13 2.43 -0.62 0.73 114.38 117.99 3ibr h ARG 152 Ca 0.09 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3ibr h ARG 152 Cb 0.52 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3ibr h ARG 152 CO 0.03 -0.29 0.00 0.54 -1.51 0.00 0.00 179.97 178.74 3ibr n ARG 153 N -5.28 0.00 0.00 0.20 1.74 -1.06 0.31 116.66 112.56 3ibr n ARG 153 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3ibr n ARG 153 Cb 0.23 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 3ibr n ARG 153 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ibr n THR 155 N 0.03 0.00 -0.14 0.55 -2.24 0.25 -5.08 114.28 107.66 3ibr n THR 155 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ibr n THR 155 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3ibr n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibr n GLY 156 N -0.14 2.22 3.26 3.38 0.00 0.15 -5.00 105.19 109.06 3ibr n GLY 156 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 3ibr n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ibr n TYR 157 N -2.00 0.64 1.81 1.61 4.02 -1.26 -4.82 117.16 117.15 3ibr n TYR 157 Ca 0.00 0.99 0.14 0.00 -0.01 0.00 0.00 57.90 59.02 3ibr n TYR 157 Cb 0.00 -1.95 0.75 0.00 -0.02 0.00 0.00 39.34 38.13 3ibr n TYR 157 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3ibr n ASP 158 N 1.50 0.54 -3.70 7.72 5.68 -1.09 -4.62 116.55 122.57 3ibr n ASP 158 Ca 0.19 -1.23 -0.11 0.00 -0.50 0.00 0.00 54.79 53.14 3ibr n ASP 158 Cb 0.07 -0.01 -0.12 0.00 -1.14 0.00 0.00 41.12 39.92 3ibr n ASP 158 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3ibr s ARG 159 N -1.99 0.28 0.04 0.11 3.52 -0.22 -1.37 118.95 119.32 3ibr s ARG 159 Ca 0.42 0.71 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 3ibr s ARG 159 Cb 0.21 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 3ibr s ARG 159 CO 0.34 -0.19 -0.06 0.54 -0.81 0.00 0.00 175.30 175.12 3ibr s VAL 160 N 1.62 0.42 0.00 7.11 0.11 -0.68 0.59 120.40 129.57 3ibr s VAL 160 Ca -0.07 -1.18 -0.05 0.00 -2.93 0.00 0.00 61.98 57.75 3ibr s VAL 160 Cb -0.10 -0.70 -0.00 0.00 -1.53 0.00 0.00 36.38 34.05 3ibr s VAL 160 CO -0.11 -0.52 0.09 0.00 -3.33 0.00 0.00 175.10 171.24 3ibr s ALA 162 N -1.84 -0.19 -0.12 1.54 0.00 -0.20 -1.91 121.76 119.04 3ibr s ALA 162 Ca -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3ibr s ALA 162 Cb -0.07 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.18 3ibr s ALA 162 CO -0.01 -0.18 -0.01 -0.47 0.00 0.00 0.00 175.76 175.09 3ibr s TYR 163 N -1.28 0.97 0.16 0.00 5.04 -0.32 -2.22 117.35 119.70 3ibr s TYR 163 Ca -0.14 -0.50 -0.04 0.00 -2.44 0.00 0.00 57.07 53.95 3ibr s TYR 163 Cb -0.08 -0.97 -0.05 0.00 0.35 0.00 0.00 41.96 41.21 3ibr s TYR 163 CO 0.01 -0.45 0.39 1.03 -1.34 0.00 0.00 175.55 175.19 3ibr s ARG 164 N 1.87 3.61 -0.27 4.97 0.52 -0.70 -1.95 118.95 127.00 3ibr s ARG 164 Ca 0.03 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3ibr s ARG 164 Cb -0.14 -2.83 0.07 0.00 0.52 0.00 0.00 34.95 32.57 3ibr s ARG 164 CO -0.07 0.44 -0.08 -0.06 0.02 0.00 0.00 175.30 175.56 3ibr s PHE 165 N -1.72 3.14 1.10 -0.53 0.40 -1.17 -1.81 117.98 117.39 3ibr s PHE 165 Ca 0.41 -2.29 -0.13 0.00 -0.60 0.00 0.00 56.93 54.32 3ibr s PHE 165 Cb -0.12 -1.98 0.22 0.00 0.51 0.00 0.00 43.02 41.65 3ibr s PHE 165 CO 0.26 -0.87 0.88 0.54 0.70 0.00 0.00 175.22 176.73 3ibr n ARG 166 N 4.46 -1.82 0.30 0.44 5.12 -0.70 -4.74 116.66 119.72 3ibr n ARG 166 Ca -0.11 -0.49 0.16 0.00 -1.93 0.00 0.00 57.85 55.47 3ibr n ARG 166 Cb 0.42 -2.14 0.93 0.00 -1.16 0.00 0.00 32.46 30.52 3ibr n ARG 166 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3ibr h HIS 167 N -2.39 0.00 -0.10 -1.55 -0.00 -2.00 0.34 115.15 109.45 3ibr h HIS 167 Ca -0.56 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 3ibr h HIS 167 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 3ibr h HIS 167 CO 0.31 0.01 0.00 -0.40 -0.00 0.00 0.00 177.93 177.85 3ibr n ASP 168 N -3.75 1.54 -1.18 3.26 5.75 -1.26 -4.86 116.55 116.04 3ibr n ASP 168 Ca -0.03 -2.12 -0.11 0.00 -0.01 0.00 0.00 54.79 52.52 3ibr n ASP 168 Cb 0.10 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 3ibr n ASP 168 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ibr n ASP 169 N 0.05 -3.56 -4.57 -1.12 8.00 0.12 -4.55 116.55 110.91 3ibr n ASP 169 Ca 0.05 0.28 -0.29 0.00 0.71 0.00 0.00 54.79 55.54 3ibr n ASP 169 Cb 0.34 -3.15 0.15 0.00 -0.02 0.00 0.00 41.12 38.44 3ibr n ASP 169 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ibr s SER 170 N -2.00 3.18 -0.01 -2.24 1.04 -1.25 -3.63 113.70 108.78 3ibr s SER 170 Ca 0.00 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.26 3ibr s SER 170 Cb 0.00 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.86 3ibr s SER 170 CO 0.00 -2.74 -0.06 -0.83 0.98 0.00 0.00 173.24 170.59 3ibr s GLY 171 N -4.17 0.32 -0.02 7.32 0.00 0.06 -1.73 107.32 109.11 3ibr s GLY 171 Ca 0.66 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 45.18 3ibr s GLY 171 CO 0.53 -0.07 -0.03 1.85 0.00 0.00 0.00 173.10 175.38 3ibr s GLU 172 N 0.09 0.45 -0.82 2.90 2.12 -0.75 0.15 118.70 122.84 3ibr s GLU 172 Ca -0.01 -0.07 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 3ibr s GLU 172 Cb -0.05 -0.50 0.08 0.00 0.26 0.00 0.00 34.13 33.91 3ibr s GLU 172 CO -0.00 -0.01 1.15 0.08 -0.54 0.00 0.00 175.26 175.93 3ibr s VAL 173 N 0.48 4.28 -2.29 3.70 1.01 -0.18 -1.72 120.40 125.67 3ibr s VAL 173 Ca -0.05 -0.68 0.22 0.00 0.00 0.00 0.00 61.98 61.48 3ibr s VAL 173 Cb -0.08 -4.82 0.50 0.00 0.00 0.00 0.00 36.38 31.98 3ibr s VAL 173 CO -0.01 -1.62 1.46 1.33 0.00 0.00 0.00 175.10 176.26 3ibr n VAL 174 N 6.05 0.65 -3.58 2.92 0.24 -0.94 -1.57 118.33 122.09 3ibr n VAL 174 Ca 0.12 -0.79 -0.11 0.00 -2.04 0.00 0.00 64.34 61.52 3ibr n VAL 174 Cb 0.48 0.74 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 3ibr n VAL 174 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibr s ALA 175 N -1.35 -1.92 -0.06 2.33 0.00 -1.25 -4.86 121.76 114.65 3ibr s ALA 175 Ca 0.41 1.61 -0.28 0.00 0.00 0.00 0.00 51.96 53.70 3ibr s ALA 175 Cb 0.23 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.65 3ibr s ALA 175 CO 0.31 -0.30 0.62 -2.00 0.00 0.00 0.00 175.76 174.39 3ibr s GLU 176 N -0.90 0.98 -0.13 0.00 2.12 -1.26 -1.03 118.70 118.48 3ibr s GLU 176 Ca -0.02 0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.49 3ibr s GLU 176 Cb -0.01 0.46 0.06 0.00 0.26 0.00 0.00 34.13 34.90 3ibr s GLU 176 CO 0.01 -0.29 0.28 0.45 -0.54 0.00 0.00 175.26 175.17 3ibr s SER 177 N -1.10 0.06 0.32 -1.70 0.15 -0.80 -4.90 113.70 105.73 3ibr s SER 177 Ca -0.11 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.22 3ibr s SER 177 Cb -0.01 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 64.93 3ibr s SER 177 CO 0.08 -0.21 0.23 0.00 1.20 0.00 0.00 173.24 174.54 3ibr s ARG 178 N 2.01 1.70 -0.20 5.44 1.70 -1.26 -1.68 118.95 126.65 3ibr s ARG 178 Ca -0.03 -1.99 -0.21 0.00 -0.47 0.00 0.00 55.73 53.04 3ibr s ARG 178 Cb -0.11 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 3ibr s ARG 178 CO -0.09 -0.58 0.62 0.50 -1.08 0.00 0.00 175.30 174.67 3ibr s ARG 179 N -3.60 4.20 0.34 3.89 3.52 -0.47 -4.97 118.95 121.87 3ibr s ARG 179 Ca 0.38 0.59 0.15 0.00 -0.13 0.00 0.00 55.73 56.71 3ibr s ARG 179 Cb 0.03 -3.58 1.11 0.00 -1.56 0.00 0.00 34.95 30.95 3ibr s ARG 179 CO 0.23 -0.24 1.64 0.93 -0.81 0.00 0.00 175.30 177.05 3ibr h GLU 180 N 7.50 0.22 -0.69 5.12 5.08 -2.00 -1.13 114.58 128.68 3ibr h GLU 180 Ca -0.31 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.23 3ibr h GLU 180 Cb 1.14 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3ibr h GLU 180 CO 0.77 0.14 0.84 -0.44 -1.00 0.00 0.00 179.01 179.32 3ibr h ASP 181 N 0.23 0.00 -2.94 1.42 3.32 -1.99 -3.42 116.42 113.04 3ibr h ASP 181 Ca 0.74 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 57.23 3ibr h ASP 181 Cb 1.76 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.28 3ibr h ASP 181 CO -0.66 0.00 -0.36 -0.76 -1.72 0.00 0.00 179.24 175.74 3ibr s LEU 182 N -6.79 4.27 0.37 1.55 1.43 -0.43 -5.06 118.68 114.01 3ibr s LEU 182 Ca -0.03 0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 53.21 3ibr s LEU 182 Cb 0.14 -3.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 3ibr s LEU 182 CO 0.48 0.03 1.37 -1.83 0.23 0.00 0.00 176.35 176.63 3ibr s GLU 183 N -2.96 4.17 0.53 1.70 -1.05 -1.26 -4.95 118.70 114.87 3ibr s GLU 183 Ca 0.38 2.34 -0.17 0.00 -0.15 0.00 0.00 54.97 57.37 3ibr s GLU 183 Cb -0.12 -2.96 -0.07 0.00 -0.44 0.00 0.00 34.13 30.54 3ibr s GLU 183 CO 0.27 -0.39 1.01 0.45 0.95 0.00 0.00 175.26 177.55 3ibr s SER 184 N -0.42 6.39 0.00 0.83 0.15 -1.26 -5.01 113.70 114.38 3ibr s SER 184 Ca 0.52 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.85 3ibr s SER 184 Cb -0.42 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 3ibr s SER 184 CO 0.56 -0.75 0.18 -1.22 1.20 0.00 0.00 173.24 173.21 3ibr n TYR 185 N -1.57 0.00 -1.57 3.44 4.01 -1.26 -5.05 117.16 115.15 3ibr n TYR 185 Ca 0.07 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.35 3ibr n TYR 185 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.54 3ibr n TYR 185 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3ibr n LEU 186 N -0.40 1.50 0.00 7.72 0.00 -1.26 -2.17 117.00 122.38 3ibr n LEU 186 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.17 3ibr n LEU 186 Cb 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 43.42 42.21 3ibr n LEU 186 CO 0.00 -1.47 0.00 0.61 0.00 0.00 0.00 177.39 176.53 3ibr n GLY 187 N 1.58 2.27 3.77 -3.96 0.00 -0.61 -5.00 105.19 103.25 3ibr n GLY 187 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3ibr n GLY 187 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ibr s LEU 188 N 0.00 4.36 -0.06 0.99 0.20 -0.92 -4.72 118.68 118.52 3ibr s LEU 188 Ca 0.00 2.90 0.04 0.00 0.69 0.00 0.00 54.13 57.76 3ibr s LEU 188 Cb 0.00 -3.66 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 3ibr s LEU 188 CO 0.00 -0.75 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.00 3ibr s ARG 189 N -1.77 2.07 0.36 1.98 0.52 -1.26 -1.01 118.95 119.84 3ibr s ARG 189 Ca 0.53 -0.61 0.09 0.00 -0.52 0.00 0.00 55.73 55.21 3ibr s ARG 189 Cb -0.44 -1.69 -0.07 0.00 0.52 0.00 0.00 34.95 33.27 3ibr s ARG 189 CO 0.57 0.16 -0.07 0.71 0.02 0.00 0.00 175.30 176.70 3ibr s TYR 190 N 0.32 2.44 0.72 -0.53 2.02 0.12 -3.75 117.35 118.70 3ibr s TYR 190 Ca -0.11 -0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 55.96 3ibr s TYR 190 Cb -0.15 -1.48 0.05 0.00 -0.40 0.00 0.00 41.96 39.98 3ibr s TYR 190 CO 0.04 0.55 1.07 -2.14 -1.57 0.00 0.00 175.55 173.50 3ibr s PRO 191 N -3.64 2.36 0.37 -1.71 0.02 -1.26 -0.76 135.00 130.38 3ibr s PRO 191 Ca 0.33 0.04 0.06 0.00 0.02 0.00 0.00 61.00 61.45 3ibr s PRO 191 Cb 0.04 -2.09 0.74 0.00 0.02 0.00 0.00 34.50 33.22 3ibr s PRO 191 CO 0.17 -1.23 1.98 0.00 -0.33 0.00 0.00 177.00 177.58 3ibr h ALA 192 N -0.69 1.69 0.00 -1.55 0.00 -1.80 -2.57 119.26 114.34 3ibr h ALA 192 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ibr h ALA 192 Cb 1.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ibr h ALA 192 CO 0.63 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.96 3ibr n SER 193 N -4.47 0.00 -0.01 0.00 3.41 -1.26 -1.10 113.62 110.19 3ibr n SER 193 Ca 0.09 0.47 0.14 0.00 -0.26 0.00 0.00 58.87 59.31 3ibr n SER 193 Cb 0.19 -0.48 0.53 0.00 -0.26 0.00 0.00 64.21 64.20 3ibr n SER 193 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ibr n ASP 194 N -1.48 0.16 -3.46 4.04 10.43 -0.97 -4.49 116.55 120.78 3ibr n ASP 194 Ca 0.01 0.21 -0.24 0.00 2.57 0.00 0.00 54.79 57.34 3ibr n ASP 194 Cb 0.05 -0.27 -0.12 0.00 1.84 0.00 0.00 41.12 42.63 3ibr n ASP 194 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3ibr s ILE 195 N -2.95 -0.14 0.57 0.53 1.01 -0.26 -5.08 121.20 114.89 3ibr s ILE 195 Ca 0.15 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 3ibr s ILE 195 Cb 0.19 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.63 3ibr s ILE 195 CO 0.57 -0.71 0.96 -2.65 0.00 0.00 0.00 174.94 173.11 3ibr n PRO 196 N 4.82 0.97 0.23 2.79 -0.02 -1.26 -4.63 135.00 137.91 3ibr n PRO 196 Ca 0.02 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 62.03 3ibr n PRO 196 Cb 0.42 -2.13 0.70 0.00 -0.02 0.00 0.00 33.50 32.46 3ibr n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ibr h ALA 197 N 0.67 1.72 0.00 3.55 0.00 -1.92 0.99 119.26 124.27 3ibr h ALA 197 Ca -0.48 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 3ibr h ALA 197 Cb 1.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 3ibr h ALA 197 CO 0.52 -0.57 -1.46 0.37 0.00 0.00 0.00 179.25 178.11 3ibr h GLN 198 N 0.00 0.00 -0.01 0.00 5.75 -1.89 0.26 115.11 119.22 3ibr h GLN 198 Ca 0.09 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3ibr h GLN 198 Cb 1.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.59 3ibr h GLN 198 CO -0.00 0.56 -0.06 0.00 -2.65 0.00 0.00 178.83 176.68 3ibr h ALA 199 N 1.09 0.02 -0.08 3.38 0.00 -1.23 -1.95 119.26 120.49 3ibr h ALA 199 Ca -0.20 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.36 3ibr h ALA 199 Cb 1.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3ibr h ALA 199 CO 0.08 -0.10 0.01 -0.09 0.00 0.00 0.00 179.25 179.16 3ibr h ARG 200 N -0.61 0.04 -0.62 0.00 2.43 -1.12 0.57 114.38 115.07 3ibr h ARG 200 Ca -0.00 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 3ibr h ARG 200 Cb 0.75 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.19 3ibr h ARG 200 CO 0.01 0.03 0.04 -0.09 -1.51 0.00 0.00 179.97 178.45 3ibr h ARG 201 N 0.04 0.15 0.34 0.20 9.65 -0.57 -1.73 114.38 122.46 3ibr h ARG 201 Ca 0.03 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3ibr h ARG 201 Cb 0.03 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3ibr h ARG 201 CO -0.05 0.10 -0.16 -0.07 2.80 0.00 0.00 179.97 182.59 3ibr h LEU 202 N 0.16 -0.38 -2.06 3.80 3.38 -0.35 -2.39 115.31 117.46 3ibr h LEU 202 Ca 0.32 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.39 3ibr h LEU 202 Cb 0.52 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3ibr h LEU 202 CO -0.49 -0.26 0.36 1.88 0.09 0.00 0.00 178.44 180.02 3ibr h TYR 203 N -0.48 0.00 -0.12 1.13 0.05 0.63 0.96 116.97 119.15 3ibr h TYR 203 Ca -0.05 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.53 3ibr h TYR 203 Cb 0.36 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.11 3ibr h TYR 203 CO -0.05 0.00 -0.73 0.82 -1.05 0.00 0.00 178.16 177.15 3ibr h ILE 204 N 0.00 1.31 0.03 -2.88 2.04 -0.90 -3.34 117.51 113.76 3ibr h ILE 204 Ca 0.16 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 3ibr h ILE 204 Cb 0.88 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3ibr h ILE 204 CO -0.00 0.61 -0.01 1.56 0.00 0.00 0.00 178.15 180.31 3ibr h GLN 205 N 0.38 -0.04 -5.01 2.37 4.20 0.12 -3.42 115.11 113.71 3ibr h GLN 205 Ca -0.06 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.00 3ibr h GLN 205 Cb 1.37 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 28.99 3ibr h GLN 205 CO 0.15 0.59 -0.27 -0.80 -0.67 0.00 0.00 178.83 177.83 3ibr s ASN 206 N -5.81 6.20 0.19 1.46 0.01 0.14 -4.97 114.94 112.17 3ibr s ASN 206 Ca -0.16 -0.10 -0.14 0.00 -0.71 0.00 0.00 52.86 51.75 3ibr s ASN 206 Cb 0.00 -2.20 0.20 0.00 0.41 0.00 0.00 41.25 39.66 3ibr s ASN 206 CO 0.64 -0.31 1.67 -0.65 -1.51 0.00 0.00 177.10 176.94 3ibr h PRO 207 N 8.40 0.08 -5.14 -0.60 0.11 -1.83 -3.41 132.00 129.61 3ibr h PRO 207 Ca -0.30 -0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.16 3ibr h PRO 207 Cb 1.15 -0.02 -0.33 0.00 0.11 0.00 0.00 31.00 31.91 3ibr h PRO 207 CO 0.68 0.05 -0.86 0.42 -0.21 0.00 0.00 178.00 178.08 3ibr s ILE 208 N -6.18 1.83 -0.03 4.15 1.01 -1.26 -1.10 121.20 119.62 3ibr s ILE 208 Ca -0.14 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.69 3ibr s ILE 208 Cb 0.17 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3ibr s ILE 208 CO 0.72 0.51 -0.22 -0.13 0.00 0.00 0.00 174.94 175.82 3ibr s ARG 209 N 0.42 1.99 -0.12 2.79 1.81 -1.05 -4.95 118.95 119.84 3ibr s ARG 209 Ca -0.18 -0.79 0.01 0.00 -1.72 0.00 0.00 55.73 53.05 3ibr s ARG 209 Cb -0.17 -1.82 0.02 0.00 -0.45 0.00 0.00 34.95 32.52 3ibr s ARG 209 CO 0.08 0.42 -0.16 -1.17 -0.68 0.00 0.00 175.30 173.79 3ibr s LEU 210 N -0.34 1.75 -0.35 2.53 0.20 -1.26 -1.28 118.68 119.93 3ibr s LEU 210 Ca 0.03 -0.46 -0.07 0.00 0.69 0.00 0.00 54.13 54.32 3ibr s LEU 210 Cb -0.10 -1.14 0.04 0.00 -0.43 0.00 0.00 46.19 44.55 3ibr s LEU 210 CO 0.01 0.01 0.13 -0.63 -0.29 0.00 0.00 176.35 175.57 3ibr s ILE 211 N 1.08 3.96 -0.03 6.68 1.01 -0.64 -4.97 121.20 128.30 3ibr s ILE 211 Ca -0.04 -1.06 -0.25 0.00 0.00 0.00 0.00 60.65 59.29 3ibr s ILE 211 Cb -0.14 -3.23 -0.20 0.00 0.01 0.00 0.00 42.46 38.90 3ibr s ILE 211 CO -0.04 -0.18 1.21 0.00 0.00 0.00 0.00 174.94 175.93 3ibr h ALA 212 N 8.27 -0.06 -3.35 9.38 0.00 -1.82 0.15 119.26 131.82 3ibr h ALA 212 Ca -0.24 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 3ibr h ALA 212 Cb 1.09 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.59 3ibr h ALA 212 CO 0.62 -0.28 -0.62 0.34 0.00 0.00 0.00 179.25 179.31 3ibr s ASP 213 N -5.62 -0.08 -0.05 0.00 -1.08 -1.25 -1.95 116.67 106.64 3ibr s ASP 213 Ca -0.15 0.24 -0.25 0.00 -0.52 0.00 0.00 52.55 51.86 3ibr s ASP 213 Cb 0.01 0.16 -0.20 0.00 -1.46 0.00 0.00 42.92 41.43 3ibr s ASP 213 CO 0.64 -0.12 1.08 0.58 0.52 0.00 0.00 175.17 177.87 3ibr h VAL 214 N 5.82 1.33 0.00 1.11 2.07 0.36 -3.06 116.25 123.88 3ibr h VAL 214 Ca -0.39 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 65.77 3ibr h VAL 214 Cb 1.15 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3ibr h VAL 214 CO 0.44 0.34 0.00 0.00 0.02 0.00 0.00 177.57 178.36 3ibr n ALA 215 N -2.45 2.31 -1.47 1.67 0.00 -1.26 -4.85 120.51 114.46 3ibr n ALA 215 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.90 3ibr n ALA 215 Cb 0.30 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 3ibr n ALA 215 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3ibr n TYR 216 N -0.44 0.01 -3.53 0.00 4.11 -1.16 -4.92 117.16 111.23 3ibr n TYR 216 Ca 0.00 0.79 -0.41 0.00 -0.00 0.00 0.00 57.90 58.28 3ibr n TYR 216 Cb 0.02 -2.05 -0.11 0.00 -0.00 0.00 0.00 39.34 37.20 3ibr n TYR 216 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3ibr s THR 217 N -1.14 5.11 0.00 -3.48 -1.32 -1.26 -5.10 115.64 108.45 3ibr s THR 217 Ca 0.62 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 3ibr s THR 217 Cb -0.78 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 66.50 3ibr s THR 217 CO 0.58 -0.12 0.00 -2.65 -2.21 0.00 0.00 174.62 170.22 3ibr n PRO 218 N 5.09 3.14 -3.82 7.08 -0.02 -1.26 -4.79 135.00 140.42 3ibr n PRO 218 Ca -0.12 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.25 3ibr n PRO 218 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.88 3ibr n PRO 218 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ibr s ARG 220 N 0.00 0.70 -0.15 -0.52 0.52 -1.26 -4.97 118.95 113.26 3ibr s ARG 220 Ca 0.00 -0.55 -0.04 0.00 -0.52 0.00 0.00 55.73 54.62 3ibr s ARG 220 Cb 0.00 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.73 3ibr s ARG 220 CO 0.00 -0.20 -0.02 0.14 0.02 0.00 0.00 175.30 175.24 3ibr s VAL 221 N -2.38 4.07 0.02 3.52 -7.23 -0.96 -0.47 120.40 116.98 3ibr s VAL 221 Ca -0.06 -0.30 0.09 0.00 -1.81 0.00 0.00 61.98 59.89 3ibr s VAL 221 Cb -0.02 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3ibr s VAL 221 CO -0.03 0.50 -0.26 -0.36 -0.31 0.00 0.00 175.10 174.65 3ibr s PHE 222 N 0.23 2.34 0.60 2.82 0.08 -0.96 -3.09 117.98 120.00 3ibr s PHE 222 Ca -0.01 -0.41 -0.18 0.00 0.12 0.00 0.00 56.93 56.44 3ibr s PHE 222 Cb -0.14 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3ibr s PHE 222 CO 0.02 0.09 1.21 -2.14 -0.10 0.00 0.00 175.22 174.30 3ibr s PRO 223 N -1.06 2.90 0.34 0.24 0.02 -1.26 -1.79 135.00 134.39 3ibr s PRO 223 Ca 0.11 1.84 0.26 0.00 0.02 0.00 0.00 61.00 63.23 3ibr s PRO 223 Cb -0.10 -1.92 1.20 0.00 0.02 0.00 0.00 34.50 33.70 3ibr s PRO 223 CO 0.01 -1.27 1.77 0.00 -0.33 0.00 0.00 177.00 177.19 3ibr h ALA 224 N 0.80 1.00 -3.75 -1.55 0.00 -1.92 -3.43 119.26 110.41 3ibr h ALA 224 Ca -0.50 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.94 3ibr h ALA 224 Cb 1.30 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.78 3ibr h ALA 224 CO 0.55 0.00 -0.80 -1.17 0.00 0.00 0.00 179.25 177.83 3ibr s LEU 225 N -4.79 1.76 -0.56 0.00 0.20 -1.26 -4.27 118.68 109.75 3ibr s LEU 225 Ca 0.01 -0.24 -0.28 0.00 0.69 0.00 0.00 54.13 54.32 3ibr s LEU 225 Cb 0.08 -0.68 0.03 0.00 -0.43 0.00 0.00 46.19 45.20 3ibr s LEU 225 CO 0.34 0.07 1.14 0.21 -0.29 0.00 0.00 176.35 177.82 3ibr s ASN 226 N 0.28 6.45 0.28 3.68 2.47 -0.01 -4.91 114.94 123.18 3ibr s ASN 226 Ca -0.06 0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.30 3ibr s ASN 226 Cb -0.11 -2.53 0.53 0.00 -1.45 0.00 0.00 41.25 37.69 3ibr s ASN 226 CO 0.01 -1.40 1.83 -0.65 -3.72 0.00 0.00 177.10 173.18 3ibr h PRO 227 N 9.46 0.95 -0.91 0.43 0.11 -1.92 0.95 132.00 141.07 3ibr h PRO 227 Ca -0.25 -0.06 0.25 0.00 0.11 0.00 0.00 66.00 66.06 3ibr h PRO 227 Cb 1.06 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 3ibr h PRO 227 CO 1.16 0.63 0.65 0.93 -0.21 0.00 0.00 178.00 181.15 3ibr h GLU 228 N 0.98 0.07 0.00 1.05 4.39 -1.95 -3.13 114.58 115.99 3ibr h GLU 228 Ca 0.48 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.18 3ibr h GLU 228 Cb 0.46 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3ibr h GLU 228 CO -0.26 0.05 -0.58 -2.37 -1.16 0.00 0.00 179.01 174.69 3ibr n THR 229 N -4.32 0.00 -0.90 1.13 5.66 -0.18 -5.00 114.28 110.67 3ibr n THR 229 Ca 0.19 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 3ibr n THR 229 Cb 0.93 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 3ibr n THR 229 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3ibr n ASN 230 N -1.04 -3.19 -4.78 1.09 5.15 0.31 -4.98 115.26 107.84 3ibr n ASN 230 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 3ibr n ASN 230 Cb 0.00 -2.02 -0.05 0.00 -0.53 0.00 0.00 39.78 37.18 3ibr n ASN 230 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ibr s GLU 231 N -0.99 2.51 0.99 1.20 2.02 -1.23 -4.86 118.70 118.34 3ibr s GLU 231 Ca 0.00 -1.44 -0.12 0.00 0.02 0.00 0.00 54.97 53.42 3ibr s GLU 231 Cb 0.00 -2.29 0.18 0.00 0.10 0.00 0.00 34.13 32.12 3ibr s GLU 231 CO 0.00 0.12 1.10 0.45 0.02 0.00 0.00 175.26 176.95 3ibr s SER 232 N -3.90 2.73 -0.12 -0.19 0.15 -1.26 -0.83 113.70 110.28 3ibr s SER 232 Ca 0.39 1.10 -0.23 0.00 0.70 0.00 0.00 55.95 57.91 3ibr s SER 232 Cb -0.04 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 3ibr s SER 232 CO 0.24 -3.06 0.69 -0.36 1.20 0.00 0.00 173.24 171.95 3ibr s PHE 233 N -3.04 3.50 -0.52 3.44 0.08 -1.26 -4.72 117.98 115.45 3ibr s PHE 233 Ca 0.65 1.15 -0.26 0.00 0.12 0.00 0.00 56.93 58.58 3ibr s PHE 233 Cb -0.18 -2.81 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 3ibr s PHE 233 CO 0.57 -0.02 1.04 0.34 -0.10 0.00 0.00 175.22 177.05 3ibr s ASP 234 N 0.93 6.46 -0.23 1.36 -1.08 -1.26 -4.47 116.67 118.39 3ibr s ASP 234 Ca 0.35 0.05 0.14 0.00 -0.52 0.00 0.00 52.55 52.57 3ibr s ASP 234 Cb -0.17 -2.49 0.79 0.00 -1.46 0.00 0.00 42.92 39.59 3ibr s ASP 234 CO 0.15 -1.25 1.71 0.18 0.52 0.00 0.00 175.17 176.48 3ibr n LEU 235 N 7.71 5.53 -4.72 -1.34 4.77 0.70 -4.87 117.00 124.79 3ibr n LEU 235 Ca 0.07 -2.95 -0.33 0.00 -0.03 0.00 0.00 56.01 52.77 3ibr n LEU 235 Cb 0.48 -0.67 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3ibr n LEU 235 CO 0.67 0.64 0.74 -0.44 -1.33 0.00 0.00 177.39 177.68 3ibr s SER 236 N -0.93 3.91 -0.35 -1.43 0.01 -1.23 -1.30 113.70 112.37 3ibr s SER 236 Ca 0.53 2.21 0.00 0.00 1.31 0.00 0.00 55.95 60.00 3ibr s SER 236 Cb 0.41 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 64.07 3ibr s SER 236 CO 0.15 -2.45 0.00 -1.22 0.41 0.00 0.00 173.24 170.13 3ibr n TYR 237 N -3.27 0.00 -4.12 2.43 4.01 -1.26 -4.96 117.16 109.98 3ibr n TYR 237 Ca 0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.51 3ibr n TYR 237 Cb 0.51 -1.94 -0.10 0.00 -0.31 0.00 0.00 39.34 37.51 3ibr n TYR 237 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ibr s SER 238 N -2.15 5.51 -0.09 7.72 0.15 -0.42 -4.98 113.70 119.43 3ibr s SER 238 Ca 0.00 0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.49 3ibr s SER 238 Cb 0.00 -1.85 -0.27 0.00 -1.71 0.00 0.00 66.02 62.19 3ibr s SER 238 CO 0.00 0.24 0.85 0.58 1.20 0.00 0.00 173.24 176.11 3ibr h VAL 239 N 4.68 1.66 -0.17 4.45 2.07 -1.93 -3.08 116.25 123.92 3ibr h VAL 239 Ca -0.41 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.77 3ibr h VAL 239 Cb 1.18 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 3ibr h VAL 239 CO 0.65 0.63 0.00 0.18 0.02 0.00 0.00 177.57 179.05 3ibr n LEU 240 N -4.43 1.54 -4.35 2.57 4.77 -1.26 -4.77 117.00 111.06 3ibr n LEU 240 Ca -0.11 -0.77 -0.34 0.00 -0.03 0.00 0.00 56.01 54.75 3ibr n LEU 240 Cb 0.60 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 3ibr n LEU 240 CO 0.40 0.29 -0.27 -1.14 -1.33 0.00 0.00 177.39 175.34 3ibr n ARG 241 N 0.10 -0.08 -3.76 3.23 0.63 -1.17 -1.03 116.66 114.59 3ibr n ARG 241 Ca 0.07 0.01 -0.37 0.00 -0.92 0.00 0.00 57.85 56.64 3ibr n ARG 241 Cb 0.30 -1.68 -0.06 0.00 0.45 0.00 0.00 32.46 31.47 3ibr n ARG 241 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3ibr s SER 242 N -1.67 6.52 0.25 6.15 0.15 -1.02 -4.13 113.70 119.94 3ibr s SER 242 Ca 0.56 0.62 -0.25 0.00 0.70 0.00 0.00 55.95 57.58 3ibr s SER 242 Cb -0.25 -2.12 -0.09 0.00 -1.71 0.00 0.00 66.02 61.85 3ibr s SER 242 CO 0.68 0.36 0.85 -0.69 1.20 0.00 0.00 173.24 175.63 3ibr s VAL 243 N -1.10 4.31 0.25 4.45 1.01 -1.26 -4.92 120.40 123.14 3ibr s VAL 243 Ca 0.20 1.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.59 3ibr s VAL 243 Cb -0.13 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 3ibr s VAL 243 CO 0.09 0.31 1.36 -0.24 0.00 0.00 0.00 175.10 176.63 3ibr n SER 244 N 1.01 2.60 -0.23 3.32 2.88 -1.26 -4.88 113.62 117.06 3ibr n SER 244 Ca -0.02 1.15 -0.01 0.00 -1.33 0.00 0.00 58.87 58.66 3ibr n SER 244 Cb 0.49 -1.41 0.10 0.00 -0.75 0.00 0.00 64.21 62.64 3ibr n SER 244 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ibr h PRO 245 N 3.91 0.65 -0.55 -1.46 0.11 -1.99 -2.04 132.00 130.64 3ibr h PRO 245 Ca -0.45 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.72 3ibr h PRO 245 Cb 1.28 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 3ibr h PRO 245 CO 0.73 0.43 0.13 0.82 -0.21 0.00 0.00 178.00 179.90 3ibr h ILE 246 N 0.67 0.70 0.00 4.15 1.08 -1.92 0.36 117.51 122.54 3ibr h ILE 246 Ca 0.31 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.67 3ibr h ILE 246 Cb 0.21 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.37 3ibr h ILE 246 CO -0.20 0.05 -0.08 -0.74 -0.69 0.00 0.00 178.15 176.50 3ibr h HIS 247 N 0.27 0.00 -0.03 1.37 2.76 -1.85 -1.29 115.15 116.38 3ibr h HIS 247 Ca 0.28 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.37 3ibr h HIS 247 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 3ibr h HIS 247 CO -0.23 0.08 -0.29 0.00 -1.30 0.00 0.00 177.93 176.19 3ibr h GLU 249 N -0.35 -0.02 -0.21 0.00 4.81 -0.29 -2.16 114.58 116.37 3ibr h GLU 249 Ca -0.03 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3ibr h GLU 249 Cb 0.99 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 3ibr h GLU 249 CO 0.06 -0.01 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.13 3ibr h TYR 250 N -0.02 -0.84 -0.99 0.92 3.20 -1.27 0.11 116.97 118.08 3ibr h TYR 250 Ca 0.15 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.22 3ibr h TYR 250 Cb 0.25 0.40 -0.10 0.00 1.54 0.00 0.00 36.73 38.81 3ibr h TYR 250 CO -0.30 -0.24 0.61 -0.07 -1.64 0.00 0.00 178.16 176.51 3ibr h LEU 251 N -0.19 0.82 -0.45 2.82 3.38 -1.31 -0.72 115.31 119.65 3ibr h LEU 251 Ca 0.04 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ibr h LEU 251 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ibr h LEU 251 CO -0.30 0.35 -0.04 0.71 0.09 0.00 0.00 178.44 179.25 3ibr h THR 252 N 0.84 1.27 0.00 0.22 1.35 -0.90 0.41 112.91 116.10 3ibr h THR 252 Ca 0.54 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3ibr h THR 252 Cb 0.73 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3ibr h THR 252 CO -0.34 0.39 0.00 0.59 -0.25 0.00 0.00 175.52 175.91 3ibr n ASN 253 N -4.33 0.00 -2.70 5.36 4.13 -0.02 -4.24 115.26 113.46 3ibr n ASN 253 Ca -0.00 -0.48 -0.07 0.00 1.68 0.00 0.00 54.58 55.70 3ibr n ASN 253 Cb 0.33 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.69 3ibr n ASN 253 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ibr n GLY 255 N 1.46 1.27 3.10 7.41 0.00 -0.53 -4.92 105.19 112.98 3ibr n GLY 255 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3ibr n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibr s VAL 256 N 0.18 1.09 -0.03 1.61 1.01 0.02 -4.92 120.40 119.35 3ibr s VAL 256 Ca 0.22 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3ibr s VAL 256 Cb 0.39 -0.91 -0.10 0.00 0.00 0.00 0.00 36.38 35.76 3ibr s VAL 256 CO -0.09 0.31 0.11 0.54 0.00 0.00 0.00 175.10 175.97 3ibr n ARG 257 N 2.83 1.20 -4.28 2.72 1.74 -0.52 -4.03 116.66 116.32 3ibr n ARG 257 Ca -0.15 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.74 3ibr n ARG 257 Cb 0.55 -1.17 -0.10 0.00 -1.02 0.00 0.00 32.46 30.72 3ibr n ARG 257 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ibr s ALA 258 N -2.37 1.55 0.36 7.54 0.00 -1.12 0.10 121.76 127.83 3ibr s ALA 258 Ca -0.03 -1.73 -0.12 0.00 0.00 0.00 0.00 51.96 50.08 3ibr s ALA 258 Cb 0.04 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3ibr s ALA 258 CO 0.29 -0.38 0.68 0.45 0.00 0.00 0.00 175.76 176.79 3ibr s SER 259 N -3.25 0.29 -0.30 0.00 0.15 0.52 -3.26 113.70 107.84 3ibr s SER 259 Ca 0.31 -1.22 -0.17 0.00 0.70 0.00 0.00 55.95 55.56 3ibr s SER 259 Cb 0.07 0.78 0.18 0.00 -1.71 0.00 0.00 66.02 65.34 3ibr s SER 259 CO 0.09 -1.53 1.16 -0.94 1.20 0.00 0.00 173.24 173.21 3ibr s SER 261 N -3.12 -0.29 0.08 5.45 1.04 -0.40 -1.62 113.70 114.84 3ibr s SER 261 Ca 0.20 0.39 -0.20 0.00 0.48 0.00 0.00 55.95 56.82 3ibr s SER 261 Cb -0.04 1.32 -0.07 0.00 0.10 0.00 0.00 66.02 67.34 3ibr s SER 261 CO 0.14 -0.06 0.61 -0.63 0.98 0.00 0.00 173.24 174.28 3ibr s ILE 262 N 2.20 4.71 0.22 -1.02 -1.09 -0.76 -2.51 121.20 122.94 3ibr s ILE 262 Ca -0.01 1.30 -0.07 0.00 -2.23 0.00 0.00 60.65 59.64 3ibr s ILE 262 Cb -0.03 -3.94 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 3ibr s ILE 262 CO -0.17 0.53 0.50 -0.44 -1.23 0.00 0.00 174.94 174.13 3ibr s SER 263 N -0.97 6.54 -0.11 3.58 0.01 -0.26 -1.34 113.70 121.14 3ibr s SER 263 Ca 0.30 0.76 0.03 0.00 1.31 0.00 0.00 55.95 58.35 3ibr s SER 263 Cb -0.20 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.88 3ibr s SER 263 CO 0.20 -0.07 -0.20 -0.63 0.41 0.00 0.00 173.24 172.95 3ibr s ILE 264 N -1.84 1.84 -0.11 1.44 1.01 0.16 -4.76 121.20 118.94 3ibr s ILE 264 Ca 0.44 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 3ibr s ILE 264 Cb -0.11 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.75 3ibr s ILE 264 CO 0.24 0.51 -0.08 -0.69 0.00 0.00 0.00 174.94 174.92 3ibr s VAL 265 N 0.71 1.03 0.07 2.92 1.01 -1.26 -0.69 120.40 124.19 3ibr s VAL 265 Ca -0.11 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3ibr s VAL 265 Cb -0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3ibr s VAL 265 CO 0.02 0.36 -0.16 0.68 0.00 0.00 0.00 175.10 176.00 3ibr s VAL 266 N 1.57 1.31 0.00 2.92 -7.23 -0.49 -4.64 120.40 113.83 3ibr s VAL 266 Ca 0.02 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 3ibr s VAL 266 Cb -0.13 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.60 3ibr s VAL 266 CO -0.07 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 3ibr n GLY 267 N 1.43 2.30 1.79 2.32 0.00 -1.26 -0.91 105.19 110.86 3ibr n GLY 267 Ca -0.20 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 3ibr n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibr n GLY 268 N 0.00 4.52 3.38 -0.02 0.00 -1.26 -5.00 105.19 106.81 3ibr n GLY 268 Ca 0.00 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 3ibr n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibr s LYS 269 N -3.23 1.37 -0.68 1.61 1.02 -0.09 -5.05 119.74 114.68 3ibr s LYS 269 Ca 0.52 -1.34 -0.26 0.00 0.02 0.00 0.00 55.97 54.91 3ibr s LYS 269 Cb 0.45 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.95 3ibr s LYS 269 CO 0.07 0.42 1.70 -1.17 -0.92 0.00 0.00 175.35 175.46 3ibr s LEU 270 N -2.11 3.25 0.20 3.17 2.96 -1.26 -1.40 118.68 123.49 3ibr s LEU 270 Ca 0.14 -0.02 0.25 0.00 -0.22 0.00 0.00 54.13 54.28 3ibr s LEU 270 Cb -0.10 -2.54 0.88 0.00 0.50 0.00 0.00 46.19 44.93 3ibr s LEU 270 CO 0.06 -2.24 1.77 1.87 -1.32 0.00 0.00 176.35 176.49 3ibr n TRP 271 N 11.84 0.81 0.00 5.38 -0.00 0.14 -4.75 117.44 130.86 3ibr n TRP 271 Ca 0.18 0.25 0.00 0.00 -0.00 0.00 0.00 57.50 57.93 3ibr n TRP 271 Cb 0.51 -0.91 0.00 0.00 -0.00 0.00 0.00 31.31 30.91 3ibr n TRP 271 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3ibr n GLY 272 N 0.98 3.24 3.26 5.87 0.00 -1.11 -3.02 105.19 114.42 3ibr n GLY 272 Ca 0.05 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3ibr n GLY 272 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ibr s LEU 273 N 0.00 0.82 0.02 0.99 0.05 -0.82 0.35 118.68 120.09 3ibr s LEU 273 Ca 0.00 -0.07 -0.22 0.00 0.05 0.00 0.00 54.13 53.89 3ibr s LEU 273 Cb 0.00 1.36 -0.05 0.00 -2.05 0.00 0.00 46.19 45.45 3ibr s LEU 273 CO 0.00 -0.56 0.67 -0.36 -0.55 0.00 0.00 176.35 175.55 3ibr s PHE 274 N -2.09 3.71 -0.10 3.48 0.40 -0.45 -1.18 117.98 121.75 3ibr s PHE 274 Ca -0.08 1.32 0.03 0.00 -0.60 0.00 0.00 56.93 57.60 3ibr s PHE 274 Cb -0.02 -2.70 0.00 0.00 0.51 0.00 0.00 43.02 40.81 3ibr s PHE 274 CO -0.00 0.32 -0.21 0.45 0.70 0.00 0.00 175.22 176.48 3ibr s SER 275 N -0.15 2.79 -0.15 1.36 0.15 -1.26 -1.83 113.70 114.61 3ibr s SER 275 Ca 0.34 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.45 3ibr s SER 275 Cb -0.19 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 62.81 3ibr s SER 275 CO 0.20 0.12 -0.03 0.00 1.20 0.00 0.00 173.24 174.73 3ibr s HIS 277 N 0.24 1.74 0.00 0.00 3.76 0.20 -4.11 115.29 117.12 3ibr s HIS 277 Ca -0.02 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3ibr s HIS 277 Cb -0.14 -1.09 0.00 0.00 1.11 0.00 0.00 32.58 32.46 3ibr s HIS 277 CO 0.03 0.00 0.00 1.58 -0.85 0.00 0.00 174.74 175.50 3ibr n HIS 278 N 2.39 0.00 0.00 1.40 -0.00 -1.20 -1.06 115.22 116.74 3ibr n HIS 278 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 3ibr n HIS 278 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 3ibr n HIS 278 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 3ibr n SER 280 N 0.00 0.00 -4.59 0.26 3.41 -1.26 -1.44 113.62 110.00 3ibr n SER 280 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 3ibr n SER 280 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 3ibr n SER 280 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3ibr n PRO 281 N 0.00 0.52 -3.60 4.33 -0.02 -1.26 -3.79 135.00 131.18 3ibr n PRO 281 Ca 0.00 0.23 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 3ibr n PRO 281 Cb 0.00 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 3ibr n PRO 281 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ibr s LYS 282 N -3.15 0.89 -0.22 -0.52 2.20 -0.82 -4.90 119.74 113.23 3ibr s LYS 282 Ca 0.72 0.62 -0.04 0.00 -0.36 0.00 0.00 55.97 56.91 3ibr s LYS 282 Cb -0.36 0.43 0.08 0.00 -1.51 0.00 0.00 37.83 36.48 3ibr s LYS 282 CO 0.51 -0.19 0.15 -1.17 -0.36 0.00 0.00 175.35 174.29 3ibr s LEU 283 N -0.34 0.21 -0.14 5.43 0.20 -1.26 -4.31 118.68 118.46 3ibr s LEU 283 Ca -0.05 -0.66 -0.19 0.00 0.69 0.00 0.00 54.13 53.92 3ibr s LEU 283 Cb -0.03 -0.02 -0.04 0.00 -0.43 0.00 0.00 46.19 45.67 3ibr s LEU 283 CO 0.05 -0.37 0.54 -0.63 -0.29 0.00 0.00 176.35 175.65 3ibr s ILE 284 N 2.20 5.13 0.57 6.68 1.09 -1.26 -5.04 121.20 130.57 3ibr s ILE 284 Ca 0.06 1.06 -0.18 0.00 -1.10 0.00 0.00 60.65 60.48 3ibr s ILE 284 Cb -0.16 -3.87 -0.08 0.00 -1.06 0.00 0.00 42.46 37.29 3ibr s ILE 284 CO -0.18 0.25 0.68 -2.65 -0.10 0.00 0.00 174.94 172.94 3ibr n PRO 285 N 4.12 0.65 -0.20 2.79 -0.02 -1.26 -4.71 135.00 136.38 3ibr n PRO 285 Ca -0.05 0.25 -0.08 0.00 -2.02 0.00 0.00 63.50 61.61 3ibr n PRO 285 Cb 0.51 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 3ibr n PRO 285 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ibr h TYR 286 N 0.37 -1.17 -0.60 6.00 3.20 -1.97 -0.89 116.97 121.91 3ibr h TYR 286 Ca -0.46 0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.60 3ibr h TYR 286 Cb 1.39 0.59 -0.09 0.00 1.54 0.00 0.00 36.73 40.16 3ibr h TYR 286 CO 0.34 -0.41 0.13 -1.35 -1.64 0.00 0.00 178.16 175.22 3ibr h PRO 287 N -0.22 0.25 0.06 1.82 0.11 -2.02 -1.01 132.00 130.99 3ibr h PRO 287 Ca 0.19 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3ibr h PRO 287 Cb 0.56 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3ibr h PRO 287 CO -0.67 0.17 -0.03 0.28 -0.21 0.00 0.00 178.00 177.54 3ibr h VAL 288 N 0.26 1.04 0.00 3.15 2.07 -1.82 -2.27 116.25 118.67 3ibr h VAL 288 Ca 0.31 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3ibr h VAL 288 Cb 0.46 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3ibr h VAL 288 CO -0.40 0.08 0.00 0.54 0.02 0.00 0.00 177.57 177.81 3ibr n ARG 289 N -5.06 0.00 0.00 1.57 1.74 -0.37 -1.88 116.66 112.65 3ibr n ARG 289 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3ibr n ARG 289 Cb 0.11 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 3ibr n ARG 289 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ibr n SER 291 N 0.61 0.00 0.14 0.55 7.64 -0.86 0.07 113.62 121.78 3ibr n SER 291 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 3ibr n SER 291 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 3ibr n SER 291 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3ibr h PHE 292 N 0.00 0.00 -0.01 1.43 0.04 -1.68 -0.84 116.94 115.88 3ibr h PHE 292 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ibr h PHE 292 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3ibr h PHE 292 CO 0.00 0.58 0.01 0.37 -0.60 0.00 0.00 178.31 178.67 3ibr h GLN 293 N 0.00 0.02 -0.38 1.51 4.15 -0.64 0.13 115.11 119.90 3ibr h GLN 293 Ca -0.01 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 3ibr h GLN 293 Cb 1.06 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 3ibr h GLN 293 CO 0.08 0.17 -0.06 0.97 -1.93 0.00 0.00 178.83 178.05 3ibr h ILE 294 N -0.13 1.23 -0.17 2.39 2.10 -1.82 -2.59 117.51 118.52 3ibr h ILE 294 Ca 0.00 -0.99 0.05 0.00 1.08 0.00 0.00 64.86 65.00 3ibr h ILE 294 Cb 0.15 1.01 -0.07 0.00 -1.09 0.00 0.00 36.82 36.83 3ibr h ILE 294 CO -0.00 0.34 -0.33 0.15 -1.08 0.00 0.00 178.15 177.23 3ibr h PHE 295 N 0.59 -0.91 -0.63 2.19 3.57 -0.79 -1.76 116.94 119.19 3ibr h PHE 295 Ca 0.11 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.78 3ibr h PHE 295 Cb 0.46 0.43 -0.10 0.00 2.79 0.00 0.00 35.95 39.53 3ibr h PHE 295 CO 0.02 -0.40 0.09 1.03 -2.23 0.00 0.00 178.31 176.81 3ibr h SER 296 N -0.38 -0.11 0.30 0.41 0.87 -0.40 0.39 113.55 114.63 3ibr h SER 296 Ca 0.10 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3ibr h SER 296 Cb 0.55 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 3ibr h SER 296 CO -0.38 -0.05 -0.42 -0.61 -0.53 0.00 0.00 176.83 174.84 3ibr h GLN 297 N 0.20 -0.74 -0.02 2.24 4.15 -1.15 0.94 115.11 120.72 3ibr h GLN 297 Ca 0.34 0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.83 3ibr h GLN 297 Cb 0.54 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 3ibr h GLN 297 CO -0.48 -0.49 -0.46 0.28 -1.93 0.00 0.00 178.83 175.76 3ibr h VAL 298 N -0.77 0.00 -0.69 2.39 2.07 -0.39 -2.16 116.25 116.71 3ibr h VAL 298 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 3ibr h VAL 298 Cb 0.72 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 3ibr h VAL 298 CO -0.14 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.42 3ibr h SER 300 N 0.08 0.22 0.09 0.00 0.02 -0.46 -0.23 113.55 113.27 3ibr h SER 300 Ca 0.36 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3ibr h SER 300 Cb 0.61 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3ibr h SER 300 CO -0.62 0.17 -0.19 0.00 -1.14 0.00 0.00 176.83 175.05 3ibr h ALA 301 N 1.05 -0.78 -0.97 3.77 0.00 -0.71 0.22 119.26 121.84 3ibr h ALA 301 Ca 0.07 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.22 3ibr h ALA 301 Cb -0.01 0.55 -0.17 0.00 0.00 0.00 0.00 17.79 18.15 3ibr h ALA 301 CO -0.01 -0.81 0.16 0.82 0.00 0.00 0.00 179.25 179.41 3ibr h ILE 302 N -0.30 0.07 -0.05 0.00 5.03 -1.06 0.45 117.51 121.65 3ibr h ILE 302 Ca -0.01 -0.02 -0.13 0.00 -0.12 0.00 0.00 64.86 64.59 3ibr h ILE 302 Cb 0.29 0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.09 3ibr h ILE 302 CO -0.08 0.01 -0.56 0.58 -0.68 0.00 0.00 178.15 177.42 3ibr h VAL 303 N 0.05 1.39 -0.33 1.67 2.07 -0.67 -2.69 116.25 117.73 3ibr h VAL 303 Ca 0.64 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 3ibr h VAL 303 Cb 1.40 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 3ibr h VAL 303 CO -0.84 0.56 -0.20 -0.08 0.02 0.00 0.00 177.57 177.02 3ibr h GLU 304 N 0.11 0.72 -0.02 1.57 4.81 0.20 -1.86 114.58 120.11 3ibr h GLU 304 Ca -0.00 -0.33 -0.22 0.00 -0.13 0.00 0.00 59.36 58.68 3ibr h GLU 304 Cb 1.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3ibr h GLU 304 CO 0.08 0.94 -0.90 -0.09 -0.73 0.00 0.00 179.01 178.31 3ibr h ARG 305 N 0.49 0.42 -0.62 1.92 2.43 -1.34 -1.16 114.38 116.51 3ibr h ARG 305 Ca 0.07 -0.42 0.09 0.00 -0.81 0.00 0.00 59.98 58.90 3ibr h ARG 305 Cb 0.75 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.34 3ibr h ARG 305 CO 0.06 1.08 0.26 -0.07 -1.51 0.00 0.00 179.97 179.79 3ibr h LEU 306 N 0.24 0.29 0.10 3.80 4.07 -1.46 -1.95 115.31 120.41 3ibr h LEU 306 Ca -0.07 0.07 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 3ibr h LEU 306 Cb 1.52 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 43.30 3ibr h LEU 306 CO 0.16 0.17 -1.19 -0.33 -1.08 0.00 0.00 178.44 176.17 3ibr h GLU 307 N 0.46 0.22 -0.14 1.13 4.39 -1.13 -1.40 114.58 118.10 3ibr h GLU 307 Ca 0.31 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 3ibr h GLU 307 Cb 0.36 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3ibr h GLU 307 CO -0.29 1.18 -0.35 -0.56 -1.16 0.00 0.00 179.01 177.83 3ibr h GLN 308 N 0.06 0.29 -0.11 2.33 3.07 -1.10 -1.66 115.11 117.99 3ibr h GLN 308 Ca -0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 58.65 58.48 3ibr h GLN 308 Cb 1.93 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 29.47 3ibr h GLN 308 CO 0.19 0.61 -0.05 0.78 0.09 0.00 0.00 178.83 180.45 3ibr h GLY 309 N 1.12 0.25 0.24 0.06 0.00 -1.25 -0.35 103.07 103.14 3ibr h GLY 309 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3ibr h GLY 309 CO 0.06 0.20 -0.46 -0.09 0.00 0.00 0.00 176.54 176.25 3ibr h ARG 310 N -0.12 -0.73 -0.33 4.80 2.43 -1.04 -1.07 114.38 118.32 3ibr h ARG 310 Ca 0.03 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3ibr h ARG 310 Cb 0.50 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3ibr h ARG 310 CO 0.02 -0.49 -0.16 -0.84 -1.51 0.00 0.00 179.97 176.99 3ibr h ILE 311 N -0.76 1.25 -0.92 1.20 -2.65 -1.38 -0.94 117.51 113.32 3ibr h ILE 311 Ca -0.03 -1.15 0.15 0.00 1.03 0.00 0.00 64.86 64.87 3ibr h ILE 311 Cb 0.71 1.17 -0.08 0.00 -2.05 0.00 0.00 36.82 36.58 3ibr h ILE 311 CO -0.18 0.38 0.59 0.00 0.03 0.00 0.00 178.15 178.97 3ibr h ALA 312 N 1.29 1.81 0.45 0.16 0.00 -0.80 0.27 119.26 122.44 3ibr h ALA 312 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ibr h ALA 312 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ibr h ALA 312 CO 0.04 -0.07 -0.22 1.49 0.00 0.00 0.00 179.25 180.49 3ibr h GLU 313 N 0.71 -0.59 -0.76 0.00 4.57 0.14 -1.81 114.58 116.85 3ibr h GLU 313 Ca 0.47 0.04 0.17 0.00 -1.18 0.00 0.00 59.36 58.86 3ibr h GLU 313 Cb 0.75 0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 29.36 3ibr h GLU 313 CO -0.23 -0.39 0.19 -0.07 -1.18 0.00 0.00 179.01 177.33 3ibr h LEU 314 N -1.03 0.02 -0.86 1.64 3.38 -1.09 0.49 115.31 117.87 3ibr h LEU 314 Ca -0.06 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.16 3ibr h LEU 314 Cb 0.47 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 3ibr h LEU 314 CO 0.10 -0.05 0.50 0.25 0.09 0.00 0.00 178.44 179.34 3ibr h LEU 315 N 0.27 0.72 0.54 1.67 5.85 -0.47 0.16 115.31 124.04 3ibr h LEU 315 Ca 0.44 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 3ibr h LEU 315 Cb 0.77 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ibr h LEU 315 CO -0.53 0.40 -0.26 -0.09 -0.34 0.00 0.00 178.44 177.62 3ibr h ARG 316 N 0.83 -0.70 -1.24 1.25 2.43 0.68 -1.93 114.38 115.70 3ibr h ARG 316 Ca 0.42 0.05 0.39 0.00 -0.81 0.00 0.00 59.98 60.03 3ibr h ARG 316 Cb 0.39 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 29.98 3ibr h ARG 316 CO -0.25 -0.46 0.80 -0.39 -1.51 0.00 0.00 179.97 178.15 3ibr h VAL 317 N -0.95 0.21 0.09 0.20 -1.51 -0.05 -0.20 116.25 114.06 3ibr h VAL 317 Ca -0.07 -0.05 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3ibr h VAL 317 Cb 0.55 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 3ibr h VAL 317 CO 0.12 0.03 -0.05 -1.28 -1.23 0.00 0.00 177.57 175.16 3ibr h SER 318 N 0.16 -0.11 -0.23 4.19 0.87 -0.66 -3.05 113.55 114.71 3ibr h SER 318 Ca 0.77 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3ibr h SER 318 Cb 2.31 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 64.28 3ibr h SER 318 CO -0.40 0.49 0.10 0.71 -0.53 0.00 0.00 176.83 177.19 3ibr h THR 319 N -0.78 1.16 -1.36 2.23 1.35 -0.36 -1.36 112.91 113.79 3ibr h THR 319 Ca -0.01 -0.48 0.40 0.00 -0.55 0.00 0.00 66.41 65.76 3ibr h THR 319 Cb 0.58 1.05 -0.07 0.00 -1.73 0.00 0.00 68.15 67.98 3ibr h THR 319 CO 0.02 0.16 0.95 -0.33 -0.25 0.00 0.00 175.52 176.07 3ibr h GLU 320 N 0.23 0.06 0.57 4.72 4.39 -1.21 -1.14 114.58 122.20 3ibr h GLU 320 Ca 0.08 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3ibr h GLU 320 Cb 0.16 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3ibr h GLU 320 CO -0.01 0.04 -0.27 0.00 -1.16 0.00 0.00 179.01 177.61 3ibr h ARG 321 N 0.07 -0.74 -0.73 2.33 3.08 -1.13 -1.41 114.38 115.85 3ibr h ARG 321 Ca 0.68 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.85 3ibr h ARG 321 Cb 2.53 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 32.66 3ibr h ARG 321 CO -0.10 -0.49 -0.49 0.00 -1.07 0.00 0.00 179.97 177.81 3ibr h ARG 322 N -0.90 -0.07 -0.81 0.04 3.08 -1.07 0.10 114.38 114.75 3ibr h ARG 322 Ca -0.08 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.09 3ibr h ARG 322 Cb 0.59 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.57 3ibr h ARG 322 CO 0.13 -0.05 0.43 -0.07 -1.07 0.00 0.00 179.97 179.34 3ibr h LEU 323 N -0.08 0.57 0.13 3.04 3.38 -1.31 0.61 115.31 121.65 3ibr h LEU 323 Ca 0.12 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3ibr h LEU 323 Cb 0.38 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3ibr h LEU 323 CO -0.72 0.29 -0.41 0.00 0.09 0.00 0.00 178.44 177.69 3ibr h ALA 324 N 1.49 -0.74 -0.72 1.53 0.00 -0.21 -2.64 119.26 117.96 3ibr h ALA 324 Ca 0.41 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.37 3ibr h ALA 324 Cb 0.48 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3ibr h ALA 324 CO -0.30 -0.98 0.48 1.25 0.00 0.00 0.00 179.25 179.70 3ibr h LEU 325 N -0.65 0.46 0.18 0.00 7.12 0.25 -1.93 115.31 120.74 3ibr h LEU 325 Ca 0.02 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 3ibr h LEU 325 Cb 0.68 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 3ibr h LEU 325 CO -0.24 0.26 -0.08 0.00 -0.13 0.00 0.00 178.44 178.25 3ibr h ALA 326 N 1.65 -0.24 -0.89 1.25 0.00 -0.26 -1.15 119.26 119.62 3ibr h ALA 326 Ca 0.34 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ibr h ALA 326 Cb 0.65 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3ibr h ALA 326 CO -0.12 -0.50 0.59 0.00 0.00 0.00 0.00 179.25 179.22 3ibr h ARG 327 N -0.50 1.14 -0.23 0.00 3.08 -1.15 0.25 114.38 116.98 3ibr h ARG 327 Ca -0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3ibr h ARG 327 Cb 0.38 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3ibr h ARG 327 CO 0.04 0.75 0.12 0.00 -1.07 0.00 0.00 179.97 179.81 3ibr h ARG 328 N 1.17 0.32 0.08 0.04 3.08 -1.26 -1.33 114.38 116.48 3ibr h ARG 328 Ca 0.33 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 3ibr h ARG 328 Cb -0.09 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3ibr h ARG 328 CO -0.08 0.31 -0.04 0.00 -1.07 0.00 0.00 179.97 179.09 3ibr h ALA 329 N 0.99 -0.11 -0.32 0.04 0.00 -0.88 -2.82 119.26 116.15 3ibr h ALA 329 Ca 0.08 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ibr h ALA 329 Cb 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ibr h ALA 329 CO -0.01 -0.19 0.29 -0.09 0.00 0.00 0.00 179.25 179.25 3ibr h ARG 330 N -0.85 0.00 -0.27 0.00 2.43 -0.56 -1.26 114.38 113.86 3ibr h ARG 330 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ibr h ARG 330 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3ibr h ARG 330 CO 0.02 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.23 3ibr n ASP 331 N -4.00 3.09 -4.71 -3.80 8.00 -0.50 -4.90 116.55 109.73 3ibr n ASP 331 Ca 0.05 -1.91 -0.25 0.00 0.71 0.00 0.00 54.79 53.39 3ibr n ASP 331 Cb 0.46 -0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.31 3ibr n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibr s ALA 332 N -1.42 3.46 -0.23 2.24 0.00 -0.48 -5.03 121.76 120.31 3ibr s ALA 332 Ca 0.31 -2.08 0.10 0.00 0.00 0.00 0.00 51.96 50.29 3ibr s ALA 332 Cb 0.19 -0.35 -0.21 0.00 0.00 0.00 0.00 23.12 22.75 3ibr s ALA 332 CO 0.27 -0.10 -0.08 -0.25 0.00 0.00 0.00 175.76 175.60 3ibr n ASP 333 N -1.15 1.05 -4.53 0.00 8.00 -1.26 -4.74 116.55 113.91 3ibr n ASP 333 Ca -0.02 -0.07 -0.41 0.00 0.71 0.00 0.00 54.79 54.99 3ibr n ASP 333 Cb 0.64 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 42.00 3ibr n ASP 333 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ibr s ASP 334 N -5.97 6.19 -0.01 -2.24 -1.08 -1.26 -4.80 116.67 107.50 3ibr s ASP 334 Ca -0.22 -0.62 -0.02 0.00 -0.52 0.00 0.00 52.55 51.16 3ibr s ASP 334 Cb 0.07 -2.54 -0.27 0.00 -1.46 0.00 0.00 42.92 38.73 3ibr s ASP 334 CO 0.70 -1.75 0.81 -0.07 0.52 0.00 0.00 175.17 175.39 3ibr h LEU 335 N 12.72 0.36 -0.88 -1.34 3.38 -1.88 -2.85 115.31 124.82 3ibr h LEU 335 Ca -0.24 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.22 3ibr h LEU 335 Cb 1.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 3ibr h LEU 335 CO 1.27 1.44 0.58 -0.26 0.09 0.00 0.00 178.44 181.57 3ibr h PHE 336 N 0.06 1.10 0.00 1.13 -1.00 -1.97 0.72 116.94 116.98 3ibr h PHE 336 Ca -0.26 0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.42 3ibr h PHE 336 Cb 2.01 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 41.18 3ibr h PHE 336 CO 0.06 0.68 -0.62 0.78 -1.61 0.00 0.00 178.31 177.59 3ibr h GLY 337 N 1.17 0.00 1.00 -1.45 0.00 -1.97 -2.90 103.07 98.93 3ibr h GLY 337 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.37 3ibr h GLY 337 CO -0.08 0.00 -1.33 0.00 0.00 0.00 0.00 176.54 175.12 3ibr h ALA 338 N 1.38 -0.08 0.00 3.60 0.00 -1.18 -3.29 119.26 119.69 3ibr h ALA 338 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3ibr h ALA 338 Cb 1.28 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3ibr h ALA 338 CO 0.08 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.27 3ibr n LEU 339 N -3.83 0.54 -0.04 0.00 4.77 0.25 -3.65 117.00 115.03 3ibr n LEU 339 Ca -0.18 0.59 0.02 0.00 -0.03 0.00 0.00 56.01 56.41 3ibr n LEU 339 Cb 1.01 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 3ibr n LEU 339 CO 0.55 -0.31 0.44 0.00 -1.33 0.00 0.00 177.39 176.73 3ibr n ALA 340 N -1.70 1.82 -2.34 -1.18 0.00 -1.09 -3.10 120.51 112.91 3ibr n ALA 340 Ca 0.04 -1.15 -0.43 0.00 0.00 0.00 0.00 53.44 51.90 3ibr n ALA 340 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 3ibr n ALA 340 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ibr s HIS 341 N -1.01 2.46 -0.07 0.00 2.46 -1.24 -4.82 115.29 113.07 3ibr s HIS 341 Ca 0.05 0.74 0.07 0.00 0.47 0.00 0.00 55.06 56.39 3ibr s HIS 341 Cb 0.04 -4.09 0.40 0.00 -0.13 0.00 0.00 32.58 28.81 3ibr s HIS 341 CO 0.00 -2.03 1.06 -2.30 -2.47 0.00 0.00 174.74 169.00 3ibr n PRO 342 N 7.71 0.05 -0.13 2.88 -0.02 -1.26 0.46 135.00 144.69 3ibr n PRO 342 Ca 0.16 0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 61.91 3ibr n PRO 342 Cb 0.47 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 3ibr n PRO 342 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ibr n ASP 343 N -1.78 2.02 -1.57 2.55 10.43 -1.26 -3.74 116.55 123.20 3ibr n ASP 343 Ca -0.00 -0.07 -0.09 0.00 2.57 0.00 0.00 54.79 57.19 3ibr n ASP 343 Cb 0.37 -0.45 0.13 0.00 1.84 0.00 0.00 41.12 43.00 3ibr n ASP 343 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3ibr n ASP 344 N -3.37 3.45 -4.77 -2.24 9.92 0.19 -4.90 116.55 114.81 3ibr n ASP 344 Ca -0.46 -2.78 -0.38 0.00 -0.53 0.00 0.00 54.79 50.64 3ibr n ASP 344 Cb 0.96 -0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 40.73 3ibr n ASP 344 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ibr s GLY 345 N -0.28 2.85 0.43 0.44 0.00 1.61 -4.26 107.32 108.11 3ibr s GLY 345 Ca 0.31 0.72 0.10 0.00 0.00 0.00 0.00 44.72 45.85 3ibr s GLY 345 CO 0.07 1.21 2.05 0.16 0.00 0.00 0.00 173.10 176.58 3ibr h ILE 346 N 2.55 1.04 -0.12 0.90 3.07 -1.80 -0.31 117.51 122.83 3ibr h ILE 346 Ca -0.47 -0.16 0.03 0.00 1.55 0.00 0.00 64.86 65.81 3ibr h ILE 346 Cb 1.21 0.54 -0.00 0.00 -0.27 0.00 0.00 36.82 38.30 3ibr h ILE 346 CO 0.64 0.08 0.31 0.00 -1.05 0.00 0.00 178.15 178.13 3ibr h ALA 347 N 1.76 1.54 0.00 0.16 0.00 -1.88 0.78 119.26 121.62 3ibr h ALA 347 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ibr h ALA 347 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ibr h ALA 347 CO -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3ibr h ALA 348 N 1.49 1.00 0.00 0.00 0.00 -1.32 -3.36 119.26 117.07 3ibr h ALA 348 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 3ibr h ALA 348 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3ibr h ALA 348 CO -0.00 0.00 -1.27 1.28 0.00 0.00 0.00 179.25 179.26 3ibr n LEU 349 N -2.77 1.86 -4.56 0.00 4.77 0.27 -4.89 117.00 111.67 3ibr n LEU 349 Ca 0.01 0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 56.08 3ibr n LEU 349 Cb 0.30 -0.96 -0.11 0.00 -2.33 0.00 0.00 43.42 40.31 3ibr n LEU 349 CO 0.25 0.26 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.56 3ibr s ILE 350 N -2.36 3.70 -0.53 -0.08 1.01 -1.24 -5.01 121.20 116.69 3ibr s ILE 350 Ca -0.29 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 3ibr s ILE 350 Cb 0.06 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3ibr s ILE 350 CO 0.58 0.58 1.95 -2.84 0.00 0.00 0.00 174.94 175.21 3ibr s PRO 351 N -0.59 2.67 0.26 2.79 0.02 -1.26 -4.85 135.00 134.04 3ibr s PRO 351 Ca 0.09 0.92 0.02 0.00 0.02 0.00 0.00 61.00 62.06 3ibr s PRO 351 Cb -0.12 -4.39 -0.01 0.00 0.02 0.00 0.00 34.50 30.01 3ibr s PRO 351 CO 0.02 -2.66 0.29 0.00 -0.33 0.00 0.00 177.00 174.33 3ibr n ASP 353 N -1.88 2.71 -3.56 0.00 10.43 -0.60 -5.03 116.55 118.63 3ibr n ASP 353 Ca 0.03 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.23 3ibr n ASP 353 Cb 0.45 1.33 -0.06 0.00 1.84 0.00 0.00 41.12 44.68 3ibr n ASP 353 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ibr s GLY 354 N -3.33 -0.48 0.25 0.44 0.00 -1.23 -4.72 107.32 98.25 3ibr s GLY 354 Ca -0.04 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.54 3ibr s GLY 354 CO 0.41 0.65 0.44 0.00 0.00 0.00 0.00 173.10 174.60 3ibr s ALA 355 N -1.61 -0.04 -0.24 3.20 0.00 -0.96 -0.51 121.76 121.60 3ibr s ALA 355 Ca -0.10 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 3ibr s ALA 355 Cb -0.01 1.11 0.10 0.00 0.00 0.00 0.00 23.12 24.32 3ibr s ALA 355 CO 0.05 -0.82 0.53 -1.17 0.00 0.00 0.00 175.76 174.36 3ibr s LEU 356 N -3.04 -0.80 0.42 0.00 1.98 0.10 -2.60 118.68 114.74 3ibr s LEU 356 Ca 0.25 1.26 0.08 0.00 -2.89 0.00 0.00 54.13 52.82 3ibr s LEU 356 Cb 0.00 1.82 -0.00 0.00 0.66 0.00 0.00 46.19 48.67 3ibr s LEU 356 CO 0.10 -0.22 0.49 -0.69 -1.89 0.00 0.00 176.35 174.14 3ibr s VAL 357 N 2.46 2.85 0.00 1.68 1.01 -1.25 -1.06 120.40 126.09 3ibr s VAL 357 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3ibr s VAL 357 Cb -0.11 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3ibr s VAL 357 CO -0.16 0.00 0.00 -0.11 0.00 0.00 0.00 175.10 174.83 3ibr n LEU 359 N -1.73 0.00 0.00 3.92 7.94 -1.21 -3.30 117.00 122.62 3ibr n LEU 359 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 3ibr n LEU 359 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3ibr n LEU 359 CO 0.40 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 3ibr n GLY 360 N 0.00 1.44 0.09 -3.96 0.00 -1.26 -3.42 105.19 98.08 3ibr n GLY 360 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.40 3ibr n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibr n GLY 361 N 0.00 3.90 3.11 -0.02 0.00 -1.26 -4.89 105.19 106.03 3ibr n GLY 361 Ca 0.00 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3ibr n GLY 361 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ibr s ARG 362 N -2.15 2.87 0.35 1.61 3.52 -1.22 -5.12 118.95 118.80 3ibr s ARG 362 Ca 0.22 -0.78 0.09 0.00 -0.13 0.00 0.00 55.73 55.12 3ibr s ARG 362 Cb 0.19 -2.46 -0.07 0.00 -1.56 0.00 0.00 34.95 31.05 3ibr s ARG 362 CO 0.02 -0.19 -0.07 -0.08 -0.81 0.00 0.00 175.30 174.18 3ibr s THR 363 N 1.26 2.09 -0.21 4.11 -1.32 -1.26 -3.34 115.64 116.96 3ibr s THR 363 Ca 0.03 -2.15 -0.05 0.00 -1.21 0.00 0.00 61.69 58.31 3ibr s THR 363 Cb -0.13 -2.69 0.11 0.00 -1.51 0.00 0.00 72.50 68.28 3ibr s THR 363 CO -0.11 -0.17 0.40 -0.22 -2.21 0.00 0.00 174.62 172.31 3ibr s LEU 364 N -3.60 -0.65 -0.78 9.08 0.20 -1.21 -5.04 118.68 116.68 3ibr s LEU 364 Ca 0.33 0.69 -0.21 0.00 0.69 0.00 0.00 54.13 55.63 3ibr s LEU 364 Cb 0.04 1.26 0.09 0.00 -0.43 0.00 0.00 46.19 47.15 3ibr s LEU 364 CO 0.16 -0.26 1.05 -0.94 -0.29 0.00 0.00 176.35 176.08 3ibr s SER 365 N 2.59 6.37 0.25 3.68 1.04 -1.26 -3.82 113.70 122.54 3ibr s SER 365 Ca 0.04 -1.42 -0.14 0.00 0.48 0.00 0.00 55.95 54.91 3ibr s SER 365 Cb -0.13 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 3ibr s SER 365 CO -0.14 -1.30 0.64 -0.51 0.98 0.00 0.00 173.24 172.91 3ibr s ILE 366 N 3.59 4.77 0.00 -1.02 2.07 -1.07 -5.01 121.20 124.53 3ibr s ILE 366 Ca 0.27 0.83 0.00 0.00 -1.41 0.00 0.00 60.65 60.34 3ibr s ILE 366 Cb -0.11 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.80 3ibr s ILE 366 CO 0.01 -0.01 0.00 0.54 -1.91 0.00 0.00 174.94 173.57 3ibr n ARG 367 N 0.09 0.00 0.00 3.50 1.74 -1.26 -2.27 116.66 118.45 3ibr n ARG 367 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ibr n ARG 367 Cb 0.52 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3ibr n ARG 367 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3ibr n GLU 371 N -0.38 0.00 -0.09 5.56 2.13 -1.26 -4.38 120.64 122.23 3ibr n GLU 371 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 3ibr n GLU 371 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 3ibr n GLU 371 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3ibr h ARG 372 N 0.00 0.00 0.00 5.31 2.43 -2.05 -3.26 114.38 116.81 3ibr h ARG 372 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ibr h ARG 372 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3ibr h ARG 372 CO 0.00 0.87 0.46 1.96 -1.51 0.00 0.00 179.97 181.74 3ibr h GLN 373 N -1.00 0.00 0.00 0.20 4.20 -2.00 0.37 115.11 116.88 3ibr h GLN 373 Ca -0.17 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.37 3ibr h GLN 373 Cb 1.05 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.81 3ibr h GLN 373 CO -0.10 0.00 -0.89 0.00 -0.67 0.00 0.00 178.83 177.17 3ibr h ALA 374 N 1.04 0.51 -0.46 3.87 0.00 -2.00 -2.32 119.26 119.90 3ibr h ALA 374 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 3ibr h ALA 374 Cb 0.91 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3ibr h ALA 374 CO 0.00 1.03 -0.00 0.78 0.00 0.00 0.00 179.25 181.05 3ibr h GLY 375 N 3.26 0.82 0.61 0.00 0.00 -0.31 -2.83 103.07 104.61 3ibr h GLY 375 Ca -0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 3ibr h GLY 375 CO 0.10 0.50 -0.25 3.43 0.00 0.00 0.00 176.54 180.32 3ibr h ASN 376 N 0.71 0.31 -0.46 0.19 2.35 -1.48 -3.26 115.58 113.94 3ibr h ASN 376 Ca 0.14 -0.66 -0.13 0.00 -0.55 0.00 0.00 56.30 55.11 3ibr h ASN 376 Cb 0.44 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3ibr h ASN 376 CO 0.02 0.92 -0.20 0.58 -1.65 0.00 0.00 177.43 177.09 3ibr h VAL 377 N -0.27 1.27 0.00 2.81 2.07 -1.46 0.10 116.25 120.77 3ibr h VAL 377 Ca -0.02 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3ibr h VAL 377 Cb 0.91 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3ibr h VAL 377 CO 0.05 0.47 0.00 -0.11 0.02 0.00 0.00 177.57 178.00 3ibr n LEU 378 N -4.11 0.00 -0.07 2.57 7.94 -1.07 -1.04 117.00 121.22 3ibr n LEU 378 Ca 0.00 0.26 -0.04 0.00 -1.11 0.00 0.00 56.01 55.12 3ibr n LEU 378 Cb 0.45 -0.26 -0.16 0.00 0.53 0.00 0.00 43.42 43.98 3ibr n LEU 378 CO 0.46 -0.16 -1.03 1.67 -1.11 0.00 0.00 177.39 177.23 3ibr n GLN 379 N -1.26 0.68 0.03 1.96 7.27 0.16 -4.04 117.38 122.18 3ibr n GLN 379 Ca 0.06 -0.05 -0.13 0.00 0.07 0.00 0.00 57.00 56.95 3ibr n GLN 379 Cb 0.09 -1.53 -0.09 0.00 2.41 0.00 0.00 30.24 31.12 3ibr n GLN 379 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3ibr h ARG 380 N 0.00 -0.09 -0.03 3.69 9.65 0.67 -2.83 114.38 125.44 3ibr h ARG 380 Ca -0.40 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 3ibr h ARG 380 Cb 1.91 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.51 3ibr h ARG 380 CO 0.02 0.28 0.00 1.28 2.80 0.00 0.00 179.97 184.35 3ibr n LEU 381 N -4.96 0.03 0.09 3.80 4.77 -0.93 -2.75 117.00 117.06 3ibr n LEU 381 Ca -0.08 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.86 3ibr n LEU 381 Cb 0.21 -0.02 0.23 0.00 -2.33 0.00 0.00 43.42 41.52 3ibr n LEU 381 CO 0.33 0.01 0.67 1.56 -1.33 0.00 0.00 177.39 178.62 3ibr h GLN 382 N 0.01 0.26 -0.17 3.23 1.08 -1.64 -1.20 115.11 116.69 3ibr h GLN 382 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3ibr h GLN 382 Cb 0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3ibr h GLN 382 CO 0.00 0.61 0.00 0.54 -0.95 0.00 0.00 178.83 179.03 3ibr n ARG 383 N -4.05 1.48 -3.05 1.46 1.74 -1.11 -4.02 116.66 109.12 3ibr n ARG 383 Ca -0.01 -0.74 -0.19 0.00 -0.77 0.00 0.00 57.85 56.14 3ibr n ARG 383 Cb 0.46 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 3ibr n ARG 383 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ibr n ASP 384 N 0.04 -0.85 0.00 0.55 -0.08 -0.48 -5.00 116.55 110.72 3ibr n ASP 384 Ca 0.11 -2.89 0.08 0.00 -1.51 0.00 0.00 54.79 50.57 3ibr n ASP 384 Cb 0.20 0.18 0.48 0.00 2.34 0.00 0.00 41.12 44.32 3ibr n ASP 384 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3ibr n PRO 385 N 1.50 0.93 -0.56 -0.67 -0.02 -1.03 -2.94 135.00 132.22 3ibr n PRO 385 Ca 0.17 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 3ibr n PRO 385 Cb 0.56 -1.27 0.15 0.00 -0.02 0.00 0.00 33.50 32.93 3ibr n PRO 385 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ibr n GLU 386 N -0.77 1.19 -3.44 -0.52 1.02 -1.26 -5.01 120.64 111.85 3ibr n GLU 386 Ca 0.12 -2.78 -0.37 0.00 -0.02 0.00 0.00 57.16 54.11 3ibr n GLU 386 Cb 0.06 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 3ibr n GLU 386 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ibr s ARG 387 N -2.50 4.21 0.00 3.49 1.81 -1.15 -4.95 118.95 119.86 3ibr s ARG 387 Ca 0.33 0.31 0.15 0.00 -1.72 0.00 0.00 55.73 54.80 3ibr s ARG 387 Cb 0.32 -3.38 0.05 0.00 -0.45 0.00 0.00 34.95 31.49 3ibr s ARG 387 CO -0.05 0.31 0.88 -0.25 -0.68 0.00 0.00 175.30 175.51 3ibr n ASP 388 N 3.23 1.85 -3.96 0.23 10.43 -1.26 -4.85 116.55 122.21 3ibr n ASP 388 Ca -0.10 -1.42 -0.11 0.00 2.57 0.00 0.00 54.79 55.72 3ibr n ASP 388 Cb 0.52 0.28 -0.12 0.00 1.84 0.00 0.00 41.12 43.63 3ibr n ASP 388 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3ibr s ILE 389 N -1.58 0.19 -0.03 0.53 1.01 -1.25 0.20 121.20 120.28 3ibr s ILE 389 Ca 0.15 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 3ibr s ILE 389 Cb 0.12 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.34 3ibr s ILE 389 CO 0.30 -0.27 0.22 -0.47 0.00 0.00 0.00 174.94 174.72 3ibr s TYR 390 N -0.89 -0.11 -0.23 3.97 5.04 0.31 -4.92 117.35 120.53 3ibr s TYR 390 Ca -0.08 0.20 -0.23 0.00 -2.44 0.00 0.00 57.07 54.52 3ibr s TYR 390 Cb -0.06 0.04 0.06 0.00 0.35 0.00 0.00 41.96 42.35 3ibr s TYR 390 CO -0.00 -0.28 0.65 -3.38 -1.34 0.00 0.00 175.55 171.19 3ibr s HIS 391 N -0.99 -0.70 -0.17 4.97 -3.43 -1.25 0.22 115.29 113.94 3ibr s HIS 391 Ca -0.11 1.68 -0.32 0.00 -0.80 0.00 0.00 55.06 55.52 3ibr s HIS 391 Cb -0.05 0.25 0.14 0.00 -1.43 0.00 0.00 32.58 31.49 3ibr s HIS 391 CO 0.02 -0.36 1.13 -0.08 -2.00 0.00 0.00 174.74 173.45 3ibr s THR 392 N 0.21 0.00 0.05 -5.38 -1.32 -0.79 -4.99 115.64 103.43 3ibr s THR 392 Ca -0.01 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.37 3ibr s THR 392 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 3ibr s THR 392 CO 0.02 0.00 0.21 1.51 -2.21 0.00 0.00 174.62 174.14 3ibr s ASP 393 N -1.71 0.04 0.00 8.08 -4.77 -1.26 -2.78 116.67 114.26 3ibr s ASP 393 Ca 0.05 -0.42 0.10 0.00 -3.30 0.00 0.00 52.55 48.98 3ibr s ASP 393 Cb -0.01 0.31 0.25 0.00 -1.09 0.00 0.00 42.92 42.38 3ibr s ASP 393 CO -0.04 -0.61 1.17 0.59 0.70 0.00 0.00 175.17 176.98 3ibr n ASN 394 N 0.48 2.69 0.00 2.11 3.02 -1.26 -5.09 115.26 117.21 3ibr n ASN 394 Ca -0.18 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 3ibr n ASN 394 Cb 0.60 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3ibr n ASN 394 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3ibr n TRP 395 N 0.46 -0.21 0.00 3.10 -0.00 -1.26 -4.64 117.44 114.89 3ibr n TRP 395 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.60 3ibr n TRP 395 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.70 3ibr n TRP 395 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3ibr n GLY 406 N 0.00 0.00 0.18 5.87 0.00 -1.26 -4.89 105.19 105.10 3ibr n GLY 406 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3ibr n GLY 406 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ibr n ASP 407 N 0.00 1.17 -4.12 1.61 5.75 -1.26 -4.92 116.55 114.78 3ibr n ASP 407 Ca 0.00 -1.09 -0.27 0.00 -0.01 0.00 0.00 54.79 53.43 3ibr n ASP 407 Cb 0.00 0.73 -0.16 0.00 -1.03 0.00 0.00 41.12 40.66 3ibr n ASP 407 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ibr s GLY 410 N -5.72 2.12 -0.17 0.00 0.00 -0.07 -3.98 107.32 99.49 3ibr s GLY 410 Ca -0.23 0.71 -0.04 0.00 0.00 0.00 0.00 44.72 45.15 3ibr s GLY 410 CO 0.74 2.23 0.23 0.14 0.00 0.00 0.00 173.10 176.45 3ibr s VAL 411 N 2.03 -0.35 -0.09 1.40 1.01 -1.12 -2.58 120.40 120.69 3ibr s VAL 411 Ca 0.58 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.63 3ibr s VAL 411 Cb -0.27 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3ibr s VAL 411 CO 0.24 -0.08 -0.19 -0.22 0.00 0.00 0.00 175.10 174.85 3ibr s LEU 412 N 2.36 2.40 -0.06 3.92 0.20 -0.58 -1.88 118.68 125.04 3ibr s LEU 412 Ca 0.05 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.45 3ibr s LEU 412 Cb -0.14 -1.49 0.03 0.00 -0.43 0.00 0.00 46.19 44.15 3ibr s LEU 412 CO -0.11 0.21 0.00 0.00 -0.29 0.00 0.00 176.35 176.16 3ibr s ALA 413 N 0.08 0.60 0.04 5.97 0.00 0.13 -1.59 121.76 126.99 3ibr s ALA 413 Ca -0.08 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 51.91 3ibr s ALA 413 Cb -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3ibr s ALA 413 CO 0.05 -0.35 -0.22 0.96 0.00 0.00 0.00 175.76 176.21 3ibr s ILE 414 N 1.71 2.50 -0.09 0.00 -4.36 -0.78 0.11 121.20 120.31 3ibr s ILE 414 Ca 0.01 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 3ibr s ILE 414 Cb -0.13 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 3ibr s ILE 414 CO -0.04 0.35 -0.10 -0.60 0.24 0.00 0.00 174.94 174.79 3ibr s ARG 415 N -1.34 2.93 0.00 0.37 3.52 0.13 -0.95 118.95 123.61 3ibr s ARG 415 Ca 0.13 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 3ibr s ARG 415 Cb -0.10 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 3ibr s ARG 415 CO 0.04 0.50 0.00 1.97 -0.81 0.00 0.00 175.30 176.99 3ibr n PHE 416 N 2.71 0.00 -1.26 5.12 -1.74 -1.26 -4.91 117.46 116.11 3ibr n PHE 416 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 3ibr n PHE 416 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 3ibr n PHE 416 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3ibr n GLY 422 N 0.23 -2.43 3.28 4.97 0.00 -1.26 -5.13 105.19 104.85 3ibr n GLY 422 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 3ibr n GLY 422 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ibr s TRP 423 N 0.00 1.36 0.04 1.61 0.52 -1.26 -4.94 118.94 116.27 3ibr s TRP 423 Ca 0.00 -0.85 0.03 0.00 0.02 0.00 0.00 56.10 55.30 3ibr s TRP 423 Cb 0.00 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.56 3ibr s TRP 423 CO 0.00 -0.00 -0.10 0.42 0.02 0.00 0.00 176.95 177.29 3ibr s ILE 424 N -3.41 0.73 -0.06 2.03 1.01 -0.13 -4.55 121.20 116.82 3ibr s ILE 424 Ca 0.22 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 3ibr s ILE 424 Cb 0.04 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.80 3ibr s ILE 424 CO 0.04 -0.25 0.14 -0.36 0.00 0.00 0.00 174.94 174.51 3ibr s PHE 425 N -1.17 -0.16 -0.04 3.97 0.40 -0.22 -1.86 117.98 118.91 3ibr s PHE 425 Ca -0.06 0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.74 3ibr s PHE 425 Cb -0.09 0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.44 3ibr s PHE 425 CO 0.01 -0.11 -0.20 -1.58 0.70 0.00 0.00 175.22 174.04 3ibr s TRP 426 N 0.46 1.92 0.14 0.36 0.52 -0.62 -0.72 118.94 121.00 3ibr s TRP 426 Ca -0.03 -0.50 0.10 0.00 0.02 0.00 0.00 56.10 55.68 3ibr s TRP 426 Cb -0.05 -1.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.97 3ibr s TRP 426 CO -0.02 -0.14 -0.22 -0.06 0.02 0.00 0.00 176.95 176.53 3ibr s PHE 427 N -0.16 2.02 -0.19 -1.98 0.40 0.33 -1.52 117.98 116.87 3ibr s PHE 427 Ca -0.00 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.87 3ibr s PHE 427 Cb -0.11 -1.06 0.06 0.00 0.51 0.00 0.00 43.02 42.43 3ibr s PHE 427 CO 0.02 0.33 0.08 1.03 0.70 0.00 0.00 175.22 177.38 3ibr s ARG 428 N -2.31 0.21 0.56 0.44 0.52 -1.07 -1.55 118.95 115.76 3ibr s ARG 428 Ca 0.13 -0.22 -0.15 0.00 -0.52 0.00 0.00 55.73 54.97 3ibr s ARG 428 Cb -0.09 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.51 3ibr s ARG 428 CO 0.06 -0.71 1.02 -3.38 0.02 0.00 0.00 175.30 172.31 3ibr s HIS 429 N 2.07 3.33 -0.76 -0.53 -3.43 -1.26 -0.89 115.29 113.81 3ibr s HIS 429 Ca 0.02 1.45 0.03 0.00 -0.80 0.00 0.00 55.06 55.76 3ibr s HIS 429 Cb -0.16 -2.85 0.25 0.00 -1.43 0.00 0.00 32.58 28.39 3ibr s HIS 429 CO -0.12 -0.68 0.86 0.39 -2.00 0.00 0.00 174.74 173.19 3ibr n GLU 430 N -1.99 2.83 -0.18 -0.38 1.02 -1.26 -4.68 120.64 116.01 3ibr n GLU 430 Ca 0.07 -4.61 0.09 0.00 -0.02 0.00 0.00 57.16 52.69 3ibr n GLU 430 Cb 0.54 -2.33 0.25 0.00 -0.02 0.00 0.00 31.44 29.88 3ibr n GLU 430 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ibr n GLU 431 N 1.24 2.00 -1.32 3.49 4.07 -1.26 -4.97 120.64 123.88 3ibr n GLU 431 Ca 0.27 -1.53 -0.51 0.00 -0.06 0.00 0.00 57.16 55.33 3ibr n GLU 431 Cb 0.38 -1.38 -0.07 0.00 -0.06 0.00 0.00 31.44 30.32 3ibr n GLU 431 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3ibr n VAL 432 N 0.74 0.20 -3.43 6.31 0.24 -1.26 -5.23 118.33 115.90 3ibr n VAL 432 Ca 0.16 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3ibr n VAL 432 Cb 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 3ibr n VAL 432 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3ibr n HIS 433 N 1.18 0.00 0.00 6.34 -0.00 -1.26 -5.10 115.22 116.38 3ibr n HIS 433 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 3ibr n HIS 433 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 3ibr n HIS 433 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ibr n GLY 448 N 0.00 -0.93 3.97 1.57 0.00 -1.26 -5.25 105.19 103.29 3ibr n GLY 448 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 3ibr n GLY 448 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ibr s PRO 449 N -0.32 3.11 0.00 1.61 0.05 -1.26 -4.97 135.00 133.22 3ibr s PRO 449 Ca 0.00 -0.70 0.00 0.00 0.05 0.00 0.00 61.00 60.35 3ibr s PRO 449 Cb 0.00 -2.67 0.00 0.00 0.05 0.00 0.00 34.50 31.88 3ibr s PRO 449 CO 0.00 -0.11 0.00 0.45 0.05 0.00 0.00 177.00 177.39 3ibr n SER 450 N -1.88 4.13 -4.77 6.66 2.88 -1.26 -5.10 113.62 114.27 3ibr n SER 450 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 3ibr n SER 450 Cb 0.58 0.33 -0.05 0.00 -0.75 0.00 0.00 64.21 64.32 3ibr n SER 450 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3ibr s GLY 451 N -3.00 1.58 0.12 0.46 0.00 -1.26 -5.06 107.32 100.16 3ibr s GLY 451 Ca 0.00 -1.56 -0.21 0.00 0.00 0.00 0.00 44.72 42.95 3ibr s GLY 451 CO 0.00 -1.58 1.72 -0.56 0.00 0.00 0.00 173.10 172.68 3ibr h PRO 452 N 1.57 0.03 0.00 2.90 0.13 -2.04 -3.37 132.00 131.22 3ibr h PRO 452 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3ibr h PRO 452 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ibr h PRO 452 CO 0.61 0.02 -1.65 -2.13 -0.23 0.00 0.00 178.00 174.61 3ibr n ARG 453 N -5.14 0.65 -2.28 0.86 0.63 -1.26 -4.92 116.66 105.19 3ibr n ARG 453 Ca -0.04 -0.14 -0.34 0.00 -0.92 0.00 0.00 57.85 56.41 3ibr n ARG 453 Cb 0.09 -1.39 -0.04 0.00 0.45 0.00 0.00 32.46 31.57 3ibr n ARG 453 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3ibr s LEU 454 N -4.01 3.38 0.25 6.15 1.43 -1.26 -3.71 118.68 120.91 3ibr s LEU 454 Ca -0.05 -1.92 -0.20 0.00 -1.03 0.00 0.00 54.13 50.93 3ibr s LEU 454 Cb 0.11 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.77 3ibr s LEU 454 CO 0.71 -2.27 0.65 0.42 0.23 0.00 0.00 176.35 176.10 3ibr s THR 455 N 8.12 0.00 0.00 5.49 -4.23 -1.26 -4.73 115.64 119.04 3ibr s THR 455 Ca 0.62 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 60.20 3ibr s THR 455 Cb 0.01 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 3ibr s THR 455 CO 0.10 -0.01 0.98 -0.65 -0.54 0.00 0.00 174.62 174.49 3ibr h PRO 456 N 2.06 -0.10 0.00 3.99 0.11 -1.91 -1.61 132.00 134.53 3ibr h PRO 456 Ca -0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3ibr h PRO 456 Cb 1.26 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3ibr h PRO 456 CO 0.28 -0.07 0.00 -2.13 -0.21 0.00 0.00 178.00 175.87 3ibr n ARG 457 N -2.30 0.06 0.04 1.05 0.63 -1.26 -2.47 116.66 112.40 3ibr n ARG 457 Ca -0.01 0.28 -0.19 0.00 -0.92 0.00 0.00 57.85 57.01 3ibr n ARG 457 Cb 0.04 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.31 3ibr n ARG 457 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3ibr h GLY 458 N 1.65 0.30 2.00 5.14 0.00 -1.79 -3.00 103.07 107.37 3ibr h GLY 458 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 3ibr h GLY 458 CO 0.00 0.67 -0.28 1.76 0.00 0.00 0.00 176.54 178.69 3ibr h SER 459 N 0.07 0.00 1.50 0.19 0.02 -0.97 -2.60 113.55 111.76 3ibr h SER 459 Ca -0.33 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 3ibr h SER 459 Cb 2.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.57 3ibr h SER 459 CO 0.13 0.28 -0.42 0.15 -1.14 0.00 0.00 176.83 175.83 3ibr h PHE 460 N 0.00 0.00 0.00 3.45 3.57 -1.62 -1.93 116.94 120.41 3ibr h PHE 460 Ca -0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3ibr h PHE 460 Cb 0.92 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3ibr h PHE 460 CO 0.00 0.42 -0.50 0.93 -2.23 0.00 0.00 178.31 176.93 3ibr h GLU 461 N 0.00 0.00 -0.34 1.11 5.08 -1.32 -2.69 114.58 116.42 3ibr h GLU 461 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ibr h GLU 461 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3ibr h GLU 461 CO 0.06 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 3ibr n ALA 462 N -2.30 2.39 -0.08 3.43 0.00 -1.06 -4.06 120.51 118.82 3ibr n ALA 462 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 3ibr n ALA 462 Cb 0.62 -0.73 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 3ibr n ALA 462 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3ibr h TRP 463 N 3.75 0.07 -0.51 0.00 7.01 -1.22 -3.41 115.95 121.64 3ibr h TRP 463 Ca 0.00 -0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.03 3ibr h TRP 463 Cb 0.87 -0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.86 3ibr h TRP 463 CO 0.22 1.44 0.14 0.93 -2.79 0.00 0.00 178.44 178.38 3ibr h GLU 464 N -0.87 0.29 0.00 2.65 5.08 -1.62 -2.48 114.58 117.62 3ibr h GLU 464 Ca -0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3ibr h GLU 464 Cb 1.35 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3ibr h GLU 464 CO -0.14 0.19 0.00 1.49 -1.00 0.00 0.00 179.01 179.55 3ibr h GLU 465 N 0.29 0.00 0.00 2.33 4.81 -1.78 0.20 114.58 120.43 3ibr h GLU 465 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3ibr h GLU 465 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3ibr h GLU 465 CO -0.30 0.00 -0.86 0.28 -0.73 0.00 0.00 179.01 177.40 3ibr n VAL 466 N -2.60 0.19 0.73 0.32 0.31 -0.94 -4.46 118.33 111.88 3ibr n VAL 466 Ca -0.01 -0.21 0.08 0.00 -0.01 0.00 0.00 64.34 64.19 3ibr n VAL 466 Cb 0.13 0.15 -0.02 0.00 -0.91 0.00 0.00 33.84 33.20 3ibr n VAL 466 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3ibr n VAL 467 N -1.93 0.00 0.09 2.52 0.24 0.70 -4.47 118.33 115.49 3ibr n VAL 467 Ca 0.03 -0.29 -0.05 0.00 -2.04 0.00 0.00 64.34 61.99 3ibr n VAL 467 Cb 0.42 1.15 0.09 0.00 -1.47 0.00 0.00 33.84 34.03 3ibr n VAL 467 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3ibr h ARG 468 N 1.42 0.19 0.00 7.34 2.43 -1.74 -1.99 114.38 122.03 3ibr h ARG 468 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3ibr h ARG 468 Cb 0.51 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3ibr h ARG 468 CO 0.00 0.80 0.00 0.41 -1.51 0.00 0.00 179.97 179.67 3ibr n GLY 469 N 0.44 -0.84 3.17 2.80 0.00 -1.26 -4.79 105.19 104.71 3ibr n GLY 469 Ca -0.02 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3ibr n GLY 469 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ibr s HIS 470 N -2.95 3.31 0.77 1.61 3.76 -0.75 -4.03 115.29 117.02 3ibr s HIS 470 Ca 0.06 -1.93 -0.11 0.00 -0.15 0.00 0.00 55.06 52.93 3ibr s HIS 470 Cb 0.07 -2.26 0.06 0.00 1.11 0.00 0.00 32.58 31.56 3ibr s HIS 470 CO 0.19 -0.82 1.10 -1.54 -0.85 0.00 0.00 174.74 172.81 3ibr s SER 471 N 1.32 4.46 -0.39 1.40 1.04 -1.26 -4.87 113.70 115.40 3ibr s SER 471 Ca -0.03 1.85 -0.40 0.00 0.48 0.00 0.00 55.95 57.85 3ibr s SER 471 Cb -0.20 -2.52 -0.15 0.00 0.10 0.00 0.00 66.02 63.24 3ibr s SER 471 CO -0.01 -2.07 2.03 0.41 0.98 0.00 0.00 173.24 174.58 3ibr n THR 472 N -3.50 0.15 -1.64 2.02 -1.04 -1.26 -4.82 114.28 104.19 3ibr n THR 472 Ca 0.09 -0.11 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 3ibr n THR 472 Cb 0.53 -1.12 0.06 0.00 -1.82 0.00 0.00 70.33 67.98 3ibr n THR 472 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ibr n PRO 473 N 7.04 0.92 -2.38 -2.82 -0.02 -1.26 -4.87 135.00 131.61 3ibr n PRO 473 Ca 0.41 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 3ibr n PRO 473 Cb 0.10 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 3ibr n PRO 473 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ibr s TRP 474 N -1.50 2.16 0.41 6.00 0.52 -1.26 -4.95 118.94 120.32 3ibr s TRP 474 Ca 0.79 0.34 -0.22 0.00 0.02 0.00 0.00 56.10 57.02 3ibr s TRP 474 Cb -0.40 -4.42 -0.14 0.00 -1.15 0.00 0.00 33.47 27.37 3ibr s TRP 474 CO 0.44 -2.08 0.43 0.43 0.02 0.00 0.00 176.95 176.20 3ibr n SER 475 N 10.12 -1.39 -0.17 2.95 7.64 -1.26 -4.69 113.62 126.83 3ibr n SER 475 Ca 0.10 0.89 0.29 0.00 1.01 0.00 0.00 58.87 61.17 3ibr n SER 475 Cb 0.50 -1.05 0.65 0.00 -1.01 0.00 0.00 64.21 63.30 3ibr n SER 475 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3ibr h GLU 476 N 0.69 0.00 0.03 1.43 4.57 -2.01 0.39 114.58 119.68 3ibr h GLU 476 Ca -0.39 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.58 3ibr h GLU 476 Cb 1.41 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 3ibr h GLU 476 CO 0.51 0.00 -1.01 1.15 -1.18 0.00 0.00 179.01 178.48 3ibr h THR 477 N 0.00 1.63 0.00 0.32 2.02 -2.00 -3.24 112.91 111.65 3ibr h THR 477 Ca 0.44 -3.17 -0.11 0.00 0.77 0.00 0.00 66.41 64.35 3ibr h THR 477 Cb 2.21 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 71.38 3ibr h THR 477 CO -0.00 0.91 -0.50 0.44 0.37 0.00 0.00 175.52 176.73 3ibr h ASP 478 N 0.03 0.00 0.94 4.18 3.32 -0.51 -1.16 116.42 123.22 3ibr h ASP 478 Ca -0.04 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3ibr h ASP 478 Cb 1.73 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.26 3ibr h ASP 478 CO 0.14 0.50 -0.65 -0.07 -1.72 0.00 0.00 179.24 177.45 3ibr h LEU 479 N 0.00 0.00 -0.06 1.55 -0.00 -1.59 -2.58 115.31 112.63 3ibr h LEU 479 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.72 3ibr h LEU 479 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.92 3ibr h LEU 479 CO 0.07 0.65 -0.73 0.00 -0.00 0.00 0.00 178.44 178.42 3ibr h ALA 480 N 1.35 0.54 0.02 1.53 0.00 -1.50 -2.40 119.26 118.81 3ibr h ALA 480 Ca -0.01 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ibr h ALA 480 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ibr h ALA 480 CO 0.08 0.91 -0.01 0.82 0.00 0.00 0.00 179.25 181.06 3ibr h ILE 481 N 0.00 1.28 -0.84 0.00 2.04 -1.23 -1.31 117.51 117.45 3ibr h ILE 481 Ca -0.01 -1.86 0.08 0.00 1.00 0.00 0.00 64.86 64.08 3ibr h ILE 481 Cb 1.54 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 39.94 3ibr h ILE 481 CO 0.10 0.42 0.55 0.00 0.00 0.00 0.00 178.15 179.21 3ibr h ALA 482 N -0.22 1.64 0.59 1.87 0.00 -1.58 -0.78 119.26 120.79 3ibr h ALA 482 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ibr h ALA 482 Cb 0.70 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ibr h ALA 482 CO 0.00 0.21 -0.29 1.49 0.00 0.00 0.00 179.25 180.66 3ibr h GLU 483 N 0.87 -0.77 -0.99 0.00 4.22 -1.48 -0.96 114.58 115.46 3ibr h GLU 483 Ca 0.38 0.05 0.22 0.00 0.08 0.00 0.00 59.36 60.09 3ibr h GLU 483 Cb 0.33 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 3ibr h GLU 483 CO -0.15 -0.51 0.62 0.87 -2.18 0.00 0.00 179.01 177.67 3ibr h LYS 484 N -1.11 0.55 0.08 1.92 1.79 -1.14 -1.91 116.57 116.75 3ibr h LYS 484 Ca -0.08 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3ibr h LYS 484 Cb 0.61 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3ibr h LYS 484 CO 0.13 0.36 -0.04 1.25 -1.08 0.00 0.00 179.45 180.08 3ibr h LEU 485 N 0.56 -0.09 -0.14 2.94 6.46 -1.03 0.21 115.31 124.22 3ibr h LEU 485 Ca 0.57 -0.25 0.03 0.00 -0.12 0.00 0.00 57.88 58.10 3ibr h LEU 485 Cb 1.17 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.07 3ibr h LEU 485 CO -0.32 0.21 -0.40 -0.09 -0.62 0.00 0.00 178.44 177.21 3ibr h ARG 486 N -0.39 -0.39 -0.64 1.25 2.43 -0.47 -0.21 114.38 115.96 3ibr h ARG 486 Ca -0.01 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 3ibr h ARG 486 Cb 0.33 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.86 3ibr h ARG 486 CO 0.02 -0.26 0.01 -0.07 -1.51 0.00 0.00 179.97 178.16 3ibr h LEU 487 N -0.40 -0.26 -0.76 3.80 4.07 -1.31 0.10 115.31 120.54 3ibr h LEU 487 Ca 0.03 0.16 0.14 0.00 0.08 0.00 0.00 57.88 58.29 3ibr h LEU 487 Cb 0.49 0.27 -0.09 0.00 1.08 0.00 0.00 40.66 42.41 3ibr h LEU 487 CO -0.35 -0.12 0.32 0.44 -1.08 0.00 0.00 178.44 177.65 3ibr h ASP 488 N 0.13 0.32 -0.07 -0.43 3.45 0.16 -2.76 116.42 117.21 3ibr h ASP 488 Ca 0.34 0.10 -0.63 0.00 0.43 0.00 0.00 57.03 57.27 3ibr h ASP 488 Cb 0.56 0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.41 3ibr h ASP 488 CO -0.54 0.13 3.37 0.18 -1.57 0.00 0.00 179.24 180.80 3ibr n LEU 489 N -4.98 8.40 0.00 1.55 4.32 0.02 -4.10 117.00 122.21 3ibr n LEU 489 Ca 0.14 -4.29 0.00 0.00 -0.02 0.00 0.00 56.01 51.84 3ibr n LEU 489 Cb 0.41 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 40.67 3ibr n LEU 489 CO 0.19 2.04 0.00 1.21 -1.22 0.00 0.00 177.39 179.61 3ibr n GLU 491 N 3.35 0.00 -1.65 3.23 4.07 -1.04 -4.89 120.64 123.71 3ibr n GLU 491 Ca 0.75 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.42 3ibr n GLU 491 Cb 0.30 -0.11 -0.03 0.00 -0.06 0.00 0.00 31.44 31.54 3ibr n GLU 491 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3ibr s LEU 492 N 0.00 4.17 -0.09 4.31 1.02 -1.26 -4.84 118.68 121.99 3ibr s LEU 492 Ca 0.00 2.47 0.18 0.00 0.02 0.00 0.00 54.13 56.80 3ibr s LEU 492 Cb 0.00 -3.52 -0.24 0.00 0.02 0.00 0.00 46.19 42.45 3ibr s LEU 492 CO 0.00 -1.30 0.39 0.00 0.02 0.00 0.00 176.35 175.46