#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iha s ARG 2 N 0.00 3.50 0.14 2.12 1.70 -1.26 -5.04 118.95 120.12 3iha s ARG 2 Ca 0.00 -0.13 -0.34 0.00 -0.47 0.00 0.00 55.73 54.79 3iha s ARG 2 Cb 0.00 -3.14 -0.14 0.00 -0.57 0.00 0.00 34.95 31.10 3iha s ARG 2 CO 0.00 0.72 1.55 1.58 -1.08 0.00 0.00 175.30 178.06 3iha n HIS 3 N 1.50 2.15 0.28 5.89 -0.00 -1.26 -4.90 115.22 118.87 3iha n HIS 3 Ca -0.15 0.33 0.17 0.00 -0.00 0.00 0.00 57.72 58.06 3iha n HIS 3 Cb 0.54 -2.51 0.71 0.00 -0.00 0.00 0.00 29.99 28.73 3iha n HIS 3 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3iha h PRO 4 N 5.78 0.00 0.09 1.57 0.13 -2.01 -3.33 132.00 134.23 3iha h PRO 4 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iha h PRO 4 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3iha h PRO 4 CO 0.87 0.04 -0.04 0.82 -0.23 0.00 0.00 178.00 179.46 3iha h ILE 5 N 0.00 1.02 0.00 -3.56 2.04 -2.00 -2.09 117.51 112.92 3iha h ILE 5 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3iha h ILE 5 Cb 0.48 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3iha h ILE 5 CO 0.01 0.09 0.00 1.55 0.00 0.00 0.00 178.15 179.80 3iha h PRO 6 N -0.29 0.00 -0.17 2.37 0.13 -1.87 0.85 132.00 133.02 3iha h PRO 6 Ca -0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.93 3iha h PRO 6 Cb 0.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.38 3iha h PRO 6 CO 0.02 0.00 -0.61 -0.44 -0.23 0.00 0.00 178.00 176.74 3iha h ASP 7 N 0.00 0.83 -0.37 1.44 5.19 -1.59 -2.24 116.42 119.68 3iha h ASP 7 Ca 0.00 -0.60 -0.09 0.00 -0.62 0.00 0.00 57.03 55.72 3iha h ASP 7 Cb 0.14 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 3iha h ASP 7 CO 0.00 1.29 -0.07 0.22 -3.12 0.00 0.00 179.24 177.56 3iha h TYR 8 N 0.42 0.85 -0.04 4.55 3.20 -0.25 -2.07 116.97 123.64 3iha h TYR 8 Ca -0.03 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.62 3iha h TYR 8 Cb 1.23 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3iha h TYR 8 CO 0.09 0.83 -0.36 -0.07 -1.64 0.00 0.00 178.16 177.01 3iha h LEU 9 N 0.72 0.07 -0.26 2.82 3.38 -1.03 -0.87 115.31 120.15 3iha h LEU 9 Ca 0.13 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 3iha h LEU 9 Cb 0.54 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3iha h LEU 9 CO 0.03 0.44 -0.89 0.00 0.09 0.00 0.00 178.44 178.11 3iha h ALA 10 N 1.57 0.50 -0.36 1.53 0.00 -1.08 -2.18 119.26 119.24 3iha h ALA 10 Ca 0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 3iha h ALA 10 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3iha h ALA 10 CO 0.05 0.92 -0.38 0.77 0.00 0.00 0.00 179.25 180.61 3iha h SER 11 N 0.11 0.91 -0.45 0.00 0.02 -1.04 -2.04 113.55 111.07 3iha h SER 11 Ca -0.05 -0.41 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 3iha h SER 11 Cb 1.53 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 3iha h SER 11 CO 0.14 1.18 0.01 0.25 -1.14 0.00 0.00 176.83 177.26 3iha h LEU 12 N 0.70 0.77 -0.93 5.07 5.85 -1.15 0.21 115.31 125.83 3iha h LEU 12 Ca 0.06 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3iha h LEU 12 Cb 0.95 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3iha h LEU 12 CO 0.09 0.89 0.57 0.58 -0.34 0.00 0.00 178.44 180.23 3iha h VAL 13 N 0.64 1.25 0.01 1.05 2.07 -1.27 -0.25 116.25 119.75 3iha h VAL 13 Ca 0.13 -0.52 -0.22 0.00 0.82 0.00 0.00 66.70 66.90 3iha h VAL 13 Cb 0.49 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3iha h VAL 13 CO 0.02 0.26 -0.95 0.74 0.02 0.00 0.00 177.57 177.66 3iha h THR 14 N 1.27 1.43 0.34 2.57 2.02 -1.16 -0.70 112.91 118.68 3iha h THR 14 Ca 0.33 -2.54 -0.02 0.00 0.77 0.00 0.00 66.41 64.96 3iha h THR 14 Cb -0.08 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 3iha h THR 14 CO -0.07 0.75 -0.16 -0.08 0.37 0.00 0.00 175.52 176.33 3iha h GLU 15 N 0.19 -0.44 0.00 6.66 4.81 -0.25 -3.18 114.58 122.37 3iha h GLU 15 Ca -0.08 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3iha h GLU 15 Cb 1.59 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 3iha h GLU 15 CO 0.16 -0.13 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.20 3iha h LEU 16 N -0.97 0.00 0.00 1.64 3.38 -1.19 -2.47 115.31 115.70 3iha h LEU 16 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iha h LEU 16 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3iha h LEU 16 CO 0.08 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3iha n GLY 17 N 0.24 -0.82 0.26 0.83 0.00 -0.27 -3.19 105.19 102.23 3iha n GLY 17 Ca 0.01 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3iha n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iha h ALA 18 N 3.45 1.20 -1.69 4.61 0.00 -1.42 -3.44 119.26 121.98 3iha h ALA 18 Ca 0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.24 3iha h ALA 18 Cb 0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 3iha h ALA 18 CO 0.00 0.16 -0.52 0.14 0.00 0.00 0.00 179.25 179.03 3iha s VAL 19 N -4.06 0.60 -0.45 0.00 -7.23 -1.19 -5.11 120.40 102.96 3iha s VAL 19 Ca -0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 3iha s VAL 19 Cb 0.12 -2.37 0.29 0.00 0.56 0.00 0.00 36.38 34.99 3iha s VAL 19 CO 0.58 0.00 1.08 -3.20 -0.31 0.00 0.00 175.10 173.25 3iha n ASN 20 N -1.28 -2.38 -4.59 4.85 2.85 -1.26 -5.01 115.26 108.42 3iha n ASN 20 Ca -0.05 -3.33 -0.29 0.00 -0.11 0.00 0.00 54.58 50.80 3iha n ASN 20 Cb 0.65 1.78 0.20 0.00 1.24 0.00 0.00 39.78 43.66 3iha n ASN 20 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3iha s PRO 21 N 0.38 -0.03 1.82 1.20 0.04 -1.26 -4.87 135.00 132.29 3iha s PRO 21 Ca 0.25 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3iha s PRO 21 Cb 0.27 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 33.15 3iha s PRO 21 CO -0.13 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.20 3iha n GLY 22 N -0.08 -1.59 3.63 0.56 0.00 -1.26 -4.57 105.19 101.87 3iha n GLY 22 Ca 0.05 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 3iha n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iha s GLU 23 N 0.00 1.57 0.92 1.61 -1.05 -1.10 -4.84 118.70 115.81 3iha s GLU 23 Ca 0.00 -1.19 -0.14 0.00 -0.15 0.00 0.00 54.97 53.50 3iha s GLU 23 Cb 0.00 0.49 0.15 0.00 -0.44 0.00 0.00 34.13 34.33 3iha s GLU 23 CO 0.00 -0.67 1.20 0.95 0.95 0.00 0.00 175.26 177.69 3iha s THR 24 N -3.99 1.97 -0.19 1.83 -4.23 -1.26 0.12 115.64 109.87 3iha s THR 24 Ca 0.20 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.42 3iha s THR 24 Cb -0.02 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3iha s THR 24 CO 0.08 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.06 3iha s ALA 25 N -3.52 3.08 -1.89 3.99 0.00 -1.26 -4.83 121.76 117.34 3iha s ALA 25 Ca 0.67 0.68 0.29 0.00 0.00 0.00 0.00 51.96 53.60 3iha s ALA 25 Cb -0.10 -3.95 1.23 0.00 0.00 0.00 0.00 23.12 20.30 3iha s ALA 25 CO 0.52 -2.27 1.85 1.04 0.00 0.00 0.00 175.76 176.90 3iha n GLN 26 N 8.13 0.95 0.26 0.00 1.13 -1.26 -1.97 117.38 124.62 3iha n GLN 26 Ca 0.23 -0.38 0.12 0.00 -1.94 0.00 0.00 57.00 55.03 3iha n GLN 26 Cb 0.45 -1.49 0.70 0.00 0.11 0.00 0.00 30.24 30.00 3iha n GLN 26 CO 0.00 0.00 0.00 0.10 -1.44 0.00 0.00 177.06 175.72 3iha h TYR 27 N 0.93 0.00 -3.81 1.08 -0.00 -1.98 -3.44 116.97 109.76 3iha h TYR 27 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.58 3iha h TYR 27 Cb 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 36.73 36.88 3iha h TYR 27 CO 0.00 0.13 -0.60 0.96 -0.00 0.00 0.00 178.16 178.65 3iha s ILE 28 N -4.23 0.11 0.18 -0.90 -4.36 -1.26 -5.01 121.20 105.74 3iha s ILE 28 Ca -0.03 -0.93 -0.09 0.00 -0.26 0.00 0.00 60.65 59.34 3iha s ILE 28 Cb 0.13 -0.52 0.08 0.00 1.25 0.00 0.00 42.46 43.41 3iha s ILE 28 CO 0.60 -0.51 1.67 1.55 0.24 0.00 0.00 174.94 178.48 3iha h PRO 29 N 4.24 1.07 -0.81 0.37 0.13 -1.88 0.67 132.00 135.79 3iha h PRO 29 Ca -0.32 -0.30 0.19 0.00 -0.87 0.00 0.00 66.00 64.70 3iha h PRO 29 Cb 1.20 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 3iha h PRO 29 CO 0.44 1.00 0.55 -0.24 -0.23 0.00 0.00 178.00 179.53 3iha h VAL 30 N 0.99 0.70 0.00 1.56 3.04 -1.94 -0.30 116.25 120.29 3iha h VAL 30 Ca 0.19 -0.10 -0.36 0.00 -1.01 0.00 0.00 66.70 65.42 3iha h VAL 30 Cb 0.46 0.39 -0.07 0.00 -2.01 0.00 0.00 31.29 30.06 3iha h VAL 30 CO 0.02 0.05 -2.33 0.18 -1.01 0.00 0.00 177.57 174.48 3iha n LEU 31 N -4.44 0.31 0.20 3.16 4.77 -1.15 -3.67 117.00 116.18 3iha n LEU 31 Ca 0.16 0.03 0.15 0.00 -0.03 0.00 0.00 56.01 56.32 3iha n LEU 31 Cb 0.69 0.36 0.62 0.00 -2.33 0.00 0.00 43.42 42.76 3iha n LEU 31 CO 0.33 0.52 0.93 0.00 -1.33 0.00 0.00 177.39 177.85 3iha h ALA 32 N 0.92 1.00 0.00 -1.18 0.00 -0.05 -3.18 119.26 116.77 3iha h ALA 32 Ca -0.53 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.04 3iha h ALA 32 Cb 2.20 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.93 3iha h ALA 32 CO 0.03 0.00 -2.31 0.39 0.00 0.00 0.00 179.25 177.36 3iha n GLU 33 N -2.63 0.87 -1.11 0.00 -0.58 -0.20 -4.87 120.64 112.13 3iha n GLU 33 Ca 0.01 0.01 -0.37 0.00 -0.42 0.00 0.00 57.16 56.39 3iha n GLU 33 Cb 0.24 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 3iha n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iha n ALA 34 N -2.77 -2.66 -1.66 0.62 0.00 -1.20 -4.73 120.51 108.11 3iha n ALA 34 Ca -0.32 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 3iha n ALA 34 Cb 1.09 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 3iha n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iha s ASP 35 N -0.83 6.19 0.00 0.00 2.15 -1.26 -4.83 116.67 118.09 3iha s ASP 35 Ca 0.51 2.46 0.27 0.00 0.43 0.00 0.00 52.55 56.21 3iha s ASP 35 Cb -0.62 -2.53 1.36 0.00 -0.30 0.00 0.00 42.92 40.83 3iha s ASP 35 CO 0.50 -1.29 1.90 -0.81 -0.17 0.00 0.00 175.17 175.31 3iha n PRO 36 N 7.85 0.41 -0.61 4.34 -0.04 -1.26 -3.98 135.00 141.72 3iha n PRO 36 Ca 0.22 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 3iha n PRO 36 Cb 0.42 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 3iha n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3iha n ASP 37 N -1.26 3.96 -4.83 3.54 2.03 -1.26 -4.67 116.55 114.05 3iha n ASP 37 Ca 0.13 -2.77 -0.23 0.00 0.52 0.00 0.00 54.79 52.44 3iha n ASP 37 Cb 0.20 -0.74 -0.04 0.00 -0.72 0.00 0.00 41.12 39.82 3iha n ASP 37 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3iha s ARG 38 N -1.49 2.38 0.00 -0.67 0.52 -1.26 -5.10 118.95 113.33 3iha s ARG 38 Ca 0.26 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 3iha s ARG 38 Cb 0.21 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3iha s ARG 38 CO 0.04 -0.23 0.00 0.34 0.02 0.00 0.00 175.30 175.46 3iha n PHE 39 N -1.47 0.00 -4.48 -0.53 7.35 -1.25 -4.62 117.46 112.45 3iha n PHE 39 Ca 0.01 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.47 3iha n PHE 39 Cb 0.63 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.36 3iha n PHE 39 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3iha s GLY 40 N 0.00 2.02 -0.15 7.13 0.00 -0.33 -1.82 107.32 114.16 3iha s GLY 40 Ca 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 44.72 42.59 3iha s GLY 40 CO 0.00 -1.93 0.40 -0.42 0.00 0.00 0.00 173.10 171.15 3iha s ILE 41 N -2.84 -0.00 0.03 0.90 1.01 -0.84 -1.10 121.20 118.35 3iha s ILE 41 Ca 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 3iha s ILE 41 Cb 0.04 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 3iha s ILE 41 CO 0.14 0.01 0.01 0.00 0.00 0.00 0.00 174.94 175.10 3iha s ALA 42 N 0.41 0.10 -0.03 9.38 0.00 0.17 -1.87 121.76 129.92 3iha s ALA 42 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3iha s ALA 42 Cb -0.04 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.29 3iha s ALA 42 CO -0.02 -0.22 0.04 -0.51 0.00 0.00 0.00 175.76 175.05 3iha s LEU 43 N -1.77 0.65 -0.18 0.00 1.43 0.24 -1.87 118.68 117.18 3iha s LEU 43 Ca -0.11 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3iha s LEU 43 Cb -0.06 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 3iha s LEU 43 CO -0.03 -0.18 -0.06 0.00 0.23 0.00 0.00 176.35 176.31 3iha s ALA 44 N 1.59 2.83 0.41 4.21 0.00 -0.51 -0.74 121.76 129.56 3iha s ALA 44 Ca -0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 3iha s ALA 44 Cb -0.13 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 3iha s ALA 44 CO -0.03 -0.07 0.67 0.95 0.00 0.00 0.00 175.76 177.28 3iha s THR 45 N 0.87 5.00 0.48 0.00 -4.23 -0.45 -0.16 115.64 117.14 3iha s THR 45 Ca -0.01 -0.09 0.13 0.00 -1.18 0.00 0.00 61.69 60.53 3iha s THR 45 Cb -0.15 -3.86 0.26 0.00 1.34 0.00 0.00 72.50 70.10 3iha s THR 45 CO 0.01 -0.70 2.11 -0.65 -0.54 0.00 0.00 174.62 174.85 3iha h PRO 46 N 0.52 0.18 -0.44 3.99 0.11 -1.88 -3.04 132.00 131.44 3iha h PRO 46 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iha h PRO 46 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iha h PRO 46 CO 0.62 0.14 0.00 0.25 -0.21 0.00 0.00 178.00 178.79 3iha n THR 47 N -4.50 0.38 -0.08 -1.15 -2.24 -1.26 -4.43 114.28 101.00 3iha n THR 47 Ca -0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3iha n THR 47 Cb 0.09 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3iha n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iha n GLY 48 N 0.55 0.58 3.98 3.38 0.00 -1.05 -4.94 105.19 107.68 3iha n GLY 48 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3iha n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iha s ARG 49 N -0.92 2.86 -0.25 1.61 0.52 -1.26 -4.78 118.95 116.73 3iha s ARG 49 Ca 0.00 -0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 3iha s ARG 49 Cb 0.00 -2.61 0.13 0.00 0.52 0.00 0.00 34.95 32.99 3iha s ARG 49 CO 0.00 -0.37 0.50 -1.17 0.02 0.00 0.00 175.30 174.28 3iha s LEU 50 N -4.53 -0.92 0.09 2.53 2.96 -1.26 -1.34 118.68 116.21 3iha s LEU 50 Ca 0.52 0.89 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 3iha s LEU 50 Cb -0.10 1.68 -0.04 0.00 0.50 0.00 0.00 46.19 48.23 3iha s LEU 50 CO 0.36 -0.25 0.09 -1.00 -1.32 0.00 0.00 176.35 174.23 3iha s HIS 51 N 2.71 3.19 0.30 5.38 3.76 0.08 -4.96 115.29 125.76 3iha s HIS 51 Ca 0.06 0.06 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 3iha s HIS 51 Cb -0.14 -1.61 0.03 0.00 1.11 0.00 0.00 32.58 31.98 3iha s HIS 51 CO -0.17 0.52 0.74 0.00 -0.85 0.00 0.00 174.74 174.98 3iha s ALA 53 N -3.52 -1.86 0.00 0.00 0.00 -0.78 -4.75 121.76 110.85 3iha s ALA 53 Ca 0.12 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3iha s ALA 53 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3iha s ALA 53 CO 0.08 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3iha n GLY 54 N 0.32 -0.59 2.04 0.00 0.00 -1.26 -1.98 105.19 103.72 3iha n GLY 54 Ca -0.11 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 3iha n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iha n ASP 55 N -1.41 1.06 0.00 1.61 8.00 -0.75 -4.35 116.55 120.71 3iha n ASP 55 Ca 0.00 -1.39 0.07 0.00 0.71 0.00 0.00 54.79 54.18 3iha n ASP 55 Cb 0.00 -0.24 0.44 0.00 -0.02 0.00 0.00 41.12 41.30 3iha n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iha n ALA 56 N 2.17 2.06 -0.15 2.24 0.00 -1.25 -2.57 120.51 123.01 3iha n ALA 56 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3iha n ALA 56 Cb 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3iha n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iha n ASP 57 N -0.99 1.10 -4.73 0.00 -0.08 -1.26 -2.71 116.55 107.88 3iha n ASP 57 Ca 0.11 -1.25 -0.41 0.00 -1.51 0.00 0.00 54.79 51.73 3iha n ASP 57 Cb 0.05 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.47 3iha n ASP 57 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3iha s VAL 58 N -0.25 4.07 0.18 5.18 1.01 -1.06 -4.91 120.40 124.61 3iha s VAL 58 Ca 0.00 1.67 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 3iha s VAL 58 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3iha s VAL 58 CO 0.00 0.24 0.65 -1.61 0.00 0.00 0.00 175.10 174.37 3iha s GLU 59 N 0.11 4.16 0.17 2.72 2.02 -1.26 -4.25 118.70 122.36 3iha s GLU 59 Ca 0.51 0.73 -0.12 0.00 0.02 0.00 0.00 54.97 56.11 3iha s GLU 59 Cb -0.28 -2.95 0.01 0.00 0.10 0.00 0.00 34.13 31.01 3iha s GLU 59 CO 0.32 0.46 0.37 -0.59 0.02 0.00 0.00 175.26 175.84 3iha s PHE 60 N -1.44 0.18 0.19 1.61 -0.12 -0.42 -4.96 117.98 113.01 3iha s PHE 60 Ca 0.39 -0.54 -0.30 0.00 -0.05 0.00 0.00 56.93 56.44 3iha s PHE 60 Cb -0.17 0.12 -0.08 0.00 -0.63 0.00 0.00 43.02 42.26 3iha s PHE 60 CO 0.20 -0.78 1.15 0.95 -0.05 0.00 0.00 175.22 176.69 3iha s THR 61 N -3.92 3.69 0.30 -4.49 -4.23 -1.26 -1.10 115.64 104.62 3iha s THR 61 Ca 0.13 1.45 0.17 0.00 -1.18 0.00 0.00 61.69 62.26 3iha s THR 61 Cb 0.02 -3.93 0.12 0.00 1.34 0.00 0.00 72.50 70.05 3iha s THR 61 CO -0.02 0.25 1.81 -0.29 -0.54 0.00 0.00 174.62 175.82 3iha h ILE 62 N 3.71 1.04 0.00 2.99 2.10 -1.10 -3.41 117.51 122.85 3iha h ILE 62 Ca -0.45 -1.35 0.00 0.00 1.08 0.00 0.00 64.86 64.15 3iha h ILE 62 Cb 1.21 1.77 0.00 0.00 -1.09 0.00 0.00 36.82 38.71 3iha h ILE 62 CO 0.73 0.36 0.00 0.00 -1.08 0.00 0.00 178.15 178.16 3iha n GLN 63 N -3.79 0.00 0.21 2.19 1.13 0.11 -2.54 117.38 114.69 3iha n GLN 63 Ca -0.01 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.11 3iha n GLN 63 Cb 0.44 0.00 0.48 0.00 0.11 0.00 0.00 30.24 31.27 3iha n GLN 63 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3iha h SER 64 N 0.00 0.00 0.00 1.08 0.87 -1.86 -2.82 113.55 110.82 3iha h SER 64 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3iha h SER 64 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3iha h SER 64 CO 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 176.83 176.57 3iha n ALA 65 N -2.37 1.76 0.12 6.23 0.00 -1.05 -0.53 120.51 124.66 3iha n ALA 65 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 3iha n ALA 65 Cb 0.36 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.70 3iha n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iha n SER 66 N -0.44 0.32 -0.18 0.00 3.41 -1.06 -4.42 113.62 111.24 3iha n SER 66 Ca 0.00 0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.76 3iha n SER 66 Cb 0.00 1.46 0.45 0.00 -0.26 0.00 0.00 64.21 65.86 3iha n SER 66 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3iha h LYS 67 N 0.00 0.51 0.00 4.33 1.57 -1.04 -1.06 116.57 120.88 3iha h LYS 67 Ca 0.00 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 3iha h LYS 67 Cb 0.95 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 3iha h LYS 67 CO 0.00 0.34 -0.69 -1.00 -0.57 0.00 0.00 179.45 177.53 3iha h PRO 68 N 0.53 0.00 -0.33 3.15 0.13 -1.79 -2.87 132.00 130.83 3iha h PRO 68 Ca 0.37 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.35 3iha h PRO 68 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 3iha h PRO 68 CO -0.13 0.69 -0.37 0.74 -0.23 0.00 0.00 178.00 178.70 3iha h PHE 69 N 0.00 1.00 0.00 1.56 0.05 -1.48 -2.24 116.94 115.83 3iha h PHE 69 Ca -0.01 -0.31 -0.11 0.00 3.82 0.00 0.00 57.97 61.36 3iha h PHE 69 Cb 1.24 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.97 3iha h PHE 69 CO 0.00 1.10 -0.52 1.79 -0.18 0.00 0.00 178.31 180.50 3iha h THR 70 N 0.60 1.02 -0.66 -1.55 1.35 -1.51 -1.89 112.91 110.28 3iha h THR 70 Ca 0.05 -2.08 -0.08 0.00 -0.55 0.00 0.00 66.41 63.75 3iha h THR 70 Cb 0.96 2.26 -0.03 0.00 -1.73 0.00 0.00 68.15 69.60 3iha h THR 70 CO 0.09 0.51 0.11 0.22 -0.25 0.00 0.00 175.52 176.20 3iha h TYR 71 N 0.00 1.14 -0.26 4.73 3.20 -1.44 -0.49 116.97 123.85 3iha h TYR 71 Ca -0.01 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 3iha h TYR 71 Cb 1.21 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3iha h TYR 71 CO 0.00 0.96 -0.07 0.00 -1.64 0.00 0.00 178.16 177.41 3iha h ALA 72 N 1.10 0.36 0.76 1.82 0.00 -1.18 -0.87 119.26 121.25 3iha h ALA 72 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3iha h ALA 72 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iha h ALA 72 CO 0.01 0.16 -0.45 0.00 0.00 0.00 0.00 179.25 178.98 3iha h ALA 73 N 0.77 -1.26 -0.99 0.00 0.00 -1.03 -0.46 119.26 116.29 3iha h ALA 73 Ca 0.06 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 54.94 3iha h ALA 73 Cb 0.54 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 3iha h ALA 73 CO 0.03 -1.21 0.62 0.00 0.00 0.00 0.00 179.25 178.68 3iha h ALA 74 N -1.28 1.82 -0.16 0.00 0.00 -1.14 0.43 119.26 118.93 3iha h ALA 74 Ca -0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iha h ALA 74 Cb 0.89 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3iha h ALA 74 CO 0.12 -0.18 0.09 -0.07 0.00 0.00 0.00 179.25 179.21 3iha h LEU 75 N 0.67 0.20 -0.80 0.00 3.38 -0.70 0.15 115.31 118.22 3iha h LEU 75 Ca 0.56 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.36 3iha h LEU 75 Cb 1.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3iha h LEU 75 CO -0.33 0.22 -0.17 0.58 0.09 0.00 0.00 178.44 178.83 3iha h VAL 76 N 0.17 1.26 -0.46 1.22 2.07 0.65 0.55 116.25 121.71 3iha h VAL 76 Ca 0.06 -1.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 3iha h VAL 76 Cb 0.06 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3iha h VAL 76 CO -0.01 0.41 -0.24 0.44 0.02 0.00 0.00 177.57 178.19 3iha h ASP 77 N 0.65 1.00 -0.00 0.57 3.32 0.14 -3.35 116.42 118.74 3iha h ASP 77 Ca 0.10 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3iha h ASP 77 Cb 0.64 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3iha h ASP 77 CO 0.05 1.18 -0.05 0.54 -1.72 0.00 0.00 179.24 179.23 3iha n ARG 78 N -4.10 3.00 0.00 3.56 5.12 0.51 -4.93 116.66 119.82 3iha n ARG 78 Ca -0.00 -0.30 0.00 0.00 -1.93 0.00 0.00 57.85 55.61 3iha n ARG 78 Cb 0.47 -0.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.96 3iha n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iha n GLY 79 N 0.62 -2.44 0.14 -0.13 0.00 0.19 -4.27 105.19 99.30 3iha n GLY 79 Ca 0.01 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 3iha n GLY 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3iha h PHE 80 N 0.00 0.13 0.21 1.61 -1.00 -1.93 -2.98 116.94 112.97 3iha h PHE 80 Ca 0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.81 3iha h PHE 80 Cb 0.00 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.51 3iha h PHE 80 CO 0.00 0.04 -0.45 0.00 -1.61 0.00 0.00 178.31 176.29 3iha h ALA 81 N 1.23 -0.86 -0.78 2.45 0.00 -1.97 0.41 119.26 119.75 3iha h ALA 81 Ca 0.15 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3iha h ALA 81 Cb 0.16 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3iha h ALA 81 CO -0.19 -1.04 0.51 0.00 0.00 0.00 0.00 179.25 178.53 3iha h ALA 82 N -0.37 1.54 0.08 0.00 0.00 -1.74 -1.69 119.26 117.08 3iha h ALA 82 Ca -0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 3iha h ALA 82 Cb 0.73 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3iha h ALA 82 CO -0.20 0.38 -1.12 0.28 0.00 0.00 0.00 179.25 178.58 3iha h VAL 83 N 0.95 1.39 0.00 0.00 2.07 -1.32 -3.30 116.25 116.04 3iha h VAL 83 Ca 0.31 -2.63 -0.10 0.00 0.82 0.00 0.00 66.70 65.10 3iha h VAL 83 Cb 0.06 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3iha h VAL 83 CO -0.09 0.78 -0.48 0.44 0.02 0.00 0.00 177.57 178.24 3iha h ASP 84 N 0.20 0.00 0.22 0.57 3.32 0.11 0.22 116.42 121.06 3iha h ASP 84 Ca -0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3iha h ASP 84 Cb 1.80 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.34 3iha h ASP 84 CO 0.20 0.48 -0.10 -0.09 -1.72 0.00 0.00 179.24 178.01 3iha h ARG 85 N 0.00 0.00 0.00 3.56 2.43 -1.39 -3.01 114.38 115.96 3iha h ARG 85 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iha h ARG 85 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3iha h ARG 85 CO 0.06 0.10 -1.51 1.04 -1.51 0.00 0.00 179.97 178.15 3iha n GLN 86 N -3.86 0.79 -3.82 0.20 1.13 -0.98 -4.72 117.38 106.12 3iha n GLN 86 Ca -0.02 -0.11 -0.26 0.00 -1.94 0.00 0.00 57.00 54.66 3iha n GLN 86 Cb 0.19 -1.37 -0.17 0.00 0.11 0.00 0.00 30.24 29.01 3iha n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3iha s VAL 87 N -3.01 0.72 0.98 5.09 1.01 0.03 -3.94 120.40 121.28 3iha s VAL 87 Ca -0.03 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 3iha s VAL 87 Cb 0.11 -0.91 0.24 0.00 0.00 0.00 0.00 36.38 35.82 3iha s VAL 87 CO 0.69 0.18 0.96 0.61 0.00 0.00 0.00 175.10 177.54 3iha n GLY 88 N 5.02 -2.42 0.65 4.51 0.00 -0.64 -4.47 105.19 107.84 3iha n GLY 88 Ca -0.10 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.44 3iha n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iha n LEU 89 N 0.00 2.07 -4.65 0.99 4.77 -0.74 -4.03 117.00 115.41 3iha n LEU 89 Ca 0.13 -3.11 -0.36 0.00 -0.03 0.00 0.00 56.01 52.63 3iha n LEU 89 Cb 0.49 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 3iha n LEU 89 CO 0.34 0.98 -0.18 0.21 -1.33 0.00 0.00 177.39 177.41 3iha s ASN 90 N -2.73 6.06 0.69 -1.43 3.84 -0.49 -4.98 114.94 115.90 3iha s ASN 90 Ca 0.33 0.10 -0.16 0.00 0.21 0.00 0.00 52.86 53.34 3iha s ASN 90 Cb 0.32 -2.09 0.02 0.00 -0.55 0.00 0.00 41.25 38.95 3iha s ASN 90 CO -0.06 0.07 1.20 -2.16 -2.79 0.00 0.00 177.10 173.36 3iha s PRO 91 N 1.02 2.40 0.31 0.43 0.04 -1.26 -3.53 135.00 134.40 3iha s PRO 91 Ca 0.07 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 3iha s PRO 91 Cb -0.13 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.58 3iha s PRO 91 CO 0.04 -1.63 0.81 0.45 0.04 0.00 0.00 177.00 176.71 3iha s SER 92 N -2.00 -0.10 0.29 6.66 0.15 -1.26 -4.98 113.70 112.46 3iha s SER 92 Ca 0.74 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 56.57 3iha s SER 92 Cb -0.28 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 64.73 3iha s SER 92 CO 0.42 -1.43 0.45 -0.83 1.20 0.00 0.00 173.24 173.06 3iha s GLY 93 N -3.04 1.30 0.11 9.45 0.00 -1.26 -2.96 107.32 110.92 3iha s GLY 93 Ca 0.14 -1.06 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 3iha s GLY 93 CO 0.08 -1.04 1.68 -2.09 0.00 0.00 0.00 173.10 171.74 3iha h GLU 94 N 1.01 0.36 -4.97 2.90 4.22 -2.00 -3.41 114.58 112.69 3iha h GLU 94 Ca -0.51 -0.05 -0.61 0.00 0.08 0.00 0.00 59.36 58.27 3iha h GLU 94 Cb 1.22 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3iha h GLU 94 CO 0.61 0.36 1.20 0.00 -2.18 0.00 0.00 179.01 179.01 3iha n ALA 95 N -2.23 0.20 -1.92 2.92 0.00 -1.26 -4.81 120.51 113.40 3iha n ALA 95 Ca -0.03 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 3iha n ALA 95 Cb 0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 3iha n ALA 95 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3iha s PHE 96 N 5.64 3.48 -0.08 0.00 5.36 -1.26 -5.05 117.98 126.07 3iha s PHE 96 Ca 1.05 1.55 0.02 0.00 -0.96 0.00 0.00 56.93 58.60 3iha s PHE 96 Cb -1.24 -3.37 0.01 0.00 -0.34 0.00 0.00 43.02 38.08 3iha s PHE 96 CO 0.54 -0.91 -0.14 1.21 -1.46 0.00 0.00 175.22 174.45 3iha s ASN 97 N -0.33 2.05 0.37 6.13 3.84 -1.26 -5.04 114.94 120.70 3iha s ASN 97 Ca 0.49 -0.35 0.04 0.00 0.21 0.00 0.00 52.86 53.25 3iha s ASN 97 Cb -0.32 -0.94 0.72 0.00 -0.55 0.00 0.00 41.25 40.15 3iha s ASN 97 CO 0.39 0.05 2.03 -0.08 -2.79 0.00 0.00 177.10 176.70 3iha h GLU 98 N 6.98 0.73 0.00 0.43 4.81 -2.02 -2.52 114.58 122.99 3iha h GLU 98 Ca -0.29 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3iha h GLU 98 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3iha h GLU 98 CO 0.47 0.48 0.02 1.28 -0.73 0.00 0.00 179.01 180.53 3iha n LEU 99 N -4.45 0.00 -0.05 1.64 4.77 -1.26 -1.05 117.00 116.60 3iha n LEU 99 Ca 0.05 0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 3iha n LEU 99 Cb 0.05 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 40.83 3iha n LEU 99 CO 0.36 -0.45 0.74 0.28 -1.33 0.00 0.00 177.39 176.98 3iha h SER 100 N 0.00 0.66 0.25 -1.43 0.02 -1.82 -2.68 113.55 108.55 3iha h SER 100 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3iha h SER 100 Cb 0.03 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3iha h SER 100 CO 0.00 0.86 -0.29 0.18 -1.14 0.00 0.00 176.83 176.44 3iha n LEU 101 N -4.13 1.01 0.09 5.07 4.77 -0.21 -4.09 117.00 119.51 3iha n LEU 101 Ca 0.00 -0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 55.67 3iha n LEU 101 Cb 0.40 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3iha n LEU 101 CO 0.43 0.19 0.38 -0.08 -1.33 0.00 0.00 177.39 176.98 3iha h GLU 102 N 1.12 0.17 -6.74 3.23 4.22 -1.42 -3.34 114.58 111.82 3iha h GLU 102 Ca 0.00 -0.15 -0.49 0.00 0.08 0.00 0.00 59.36 58.80 3iha h GLU 102 Cb 0.51 0.03 0.22 0.00 0.50 0.00 0.00 28.75 30.02 3iha h GLU 102 CO 0.00 0.82 -0.80 0.00 -2.18 0.00 0.00 179.01 176.85 3iha n ALA 103 N -2.45 -3.33 0.27 2.92 0.00 -1.25 -4.74 120.51 111.93 3iha n ALA 103 Ca -0.02 -0.94 0.09 0.00 0.00 0.00 0.00 53.44 52.57 3iha n ALA 103 Cb 0.71 -1.67 0.43 0.00 0.00 0.00 0.00 19.45 18.91 3iha n ALA 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3iha n GLU 104 N -1.93 0.12 -0.09 0.00 4.71 -1.26 -1.60 120.64 120.58 3iha n GLU 104 Ca 0.04 0.49 -0.03 0.00 -0.01 0.00 0.00 57.16 57.65 3iha n GLU 104 Cb 0.58 -1.80 0.21 0.00 -1.01 0.00 0.00 31.44 29.42 3iha n GLU 104 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3iha h SER 105 N 0.00 0.70 -6.98 1.62 0.02 -1.89 -3.47 113.55 103.55 3iha h SER 105 Ca 0.00 -0.14 -0.55 0.00 -0.84 0.00 0.00 61.79 60.27 3iha h SER 105 Cb 0.17 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 3iha h SER 105 CO 0.00 0.73 -0.90 1.41 -1.14 0.00 0.00 176.83 176.93 3iha n HIS 106 N -4.26 -1.18 -3.61 3.45 8.25 -0.63 -4.90 115.22 112.33 3iha n HIS 106 Ca 0.03 0.20 -0.15 0.00 -0.26 0.00 0.00 57.72 57.55 3iha n HIS 106 Cb 0.25 -2.47 -0.07 0.00 1.12 0.00 0.00 29.99 28.82 3iha n HIS 106 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3iha s ARG 107 N -7.14 0.87 0.71 -0.41 1.70 -1.26 -4.82 118.95 108.58 3iha s ARG 107 Ca 0.30 0.82 -0.16 0.00 -0.47 0.00 0.00 55.73 56.22 3iha s ARG 107 Cb -0.17 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 3iha s ARG 107 CO 0.88 -0.15 1.01 -0.35 -1.08 0.00 0.00 175.30 175.62 3iha n PRO 108 N 2.28 0.60 -0.07 3.89 -0.04 -1.25 -4.52 135.00 135.88 3iha n PRO 108 Ca -0.15 0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 3iha n PRO 108 Cb 0.55 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 3iha n PRO 108 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iha h ASP 109 N -0.13 -1.26 -5.46 3.54 3.32 -1.87 -1.69 116.42 112.87 3iha h ASP 109 Ca -0.48 0.19 -0.24 0.00 0.02 0.00 0.00 57.03 56.52 3iha h ASP 109 Cb 1.34 0.55 -0.08 0.00 0.22 0.00 0.00 39.33 41.36 3iha h ASP 109 CO 0.48 -0.37 -0.16 0.54 -1.72 0.00 0.00 179.24 178.01 3iha s ASN 110 N -4.99 0.75 -0.23 6.45 4.22 -1.23 -1.39 114.94 118.52 3iha s ASN 110 Ca -0.15 -1.41 0.03 0.00 -2.14 0.00 0.00 52.86 49.19 3iha s ASN 110 Cb 0.11 0.67 0.38 0.00 1.28 0.00 0.00 41.25 43.69 3iha s ASN 110 CO 0.66 -1.31 1.45 0.00 -2.04 0.00 0.00 177.10 175.86 3iha n ALA 111 N -0.54 4.05 0.00 3.54 0.00 -1.26 -3.17 120.51 123.13 3iha n ALA 111 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.94 3iha n ALA 111 Cb 0.61 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3iha n ALA 111 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3iha n MET 112 N -0.28 1.93 -3.66 0.00 2.81 -1.26 -4.55 117.12 112.11 3iha n MET 112 Ca 0.30 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.87 3iha n MET 112 Cb 1.09 -0.82 -0.05 0.00 -0.71 0.00 0.00 33.22 32.73 3iha n MET 112 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3iha s ILE 113 N -1.50 5.16 0.28 2.02 -4.36 -1.25 -4.92 121.20 116.63 3iha s ILE 113 Ca 0.00 0.13 -0.02 0.00 -0.26 0.00 0.00 60.65 60.50 3iha s ILE 113 Cb 0.00 -3.62 0.42 0.00 1.25 0.00 0.00 42.46 40.50 3iha s ILE 113 CO 0.00 0.11 1.49 0.59 0.24 0.00 0.00 174.94 177.37 3iha n ASN 114 N 0.33 -0.20 0.16 4.36 4.13 -1.26 -0.54 115.26 122.24 3iha n ASN 114 Ca -0.04 1.62 -0.14 0.00 1.68 0.00 0.00 54.58 57.70 3iha n ASN 114 Cb 0.52 -0.55 -0.07 0.00 -1.54 0.00 0.00 39.78 38.14 3iha n ASN 114 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iha h ALA 115 N 1.90 -0.60 -0.67 5.41 0.00 -1.94 -0.27 119.26 123.08 3iha h ALA 115 Ca 0.53 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.48 3iha h ALA 115 Cb 1.00 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3iha h ALA 115 CO -0.93 -0.88 0.45 0.78 0.00 0.00 0.00 179.25 178.67 3iha h GLY 116 N -0.60 0.68 0.70 0.00 0.00 -0.77 -1.83 103.07 101.24 3iha h GLY 116 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3iha h GLY 116 CO -0.12 0.10 -0.04 0.00 0.00 0.00 0.00 176.54 176.49 3iha h ALA 117 N 1.67 0.14 -0.45 3.60 0.00 -0.23 -1.81 119.26 122.18 3iha h ALA 117 Ca 0.32 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3iha h ALA 117 Cb 0.63 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3iha h ALA 117 CO -0.10 -0.11 0.23 -0.07 0.00 0.00 0.00 179.25 179.20 3iha h LEU 118 N -0.15 0.33 -1.96 0.00 3.38 -0.55 0.29 115.31 116.65 3iha h LEU 118 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3iha h LEU 118 Cb 0.47 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3iha h LEU 118 CO 0.01 0.23 -0.09 0.00 0.09 0.00 0.00 178.44 178.68 3iha h ALA 119 N 1.24 1.20 0.09 1.53 0.00 -1.32 -1.85 119.26 120.15 3iha h ALA 119 Ca 0.19 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 3iha h ALA 119 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iha h ALA 119 CO -0.14 0.11 -1.37 0.28 0.00 0.00 0.00 179.25 178.14 3iha h VAL 120 N 0.00 1.32 -0.39 0.00 2.07 -0.16 -3.16 116.25 115.93 3iha h VAL 120 Ca -0.00 -2.98 -0.06 0.00 0.82 0.00 0.00 66.70 64.49 3iha h VAL 120 Cb 0.33 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 3iha h VAL 120 CO 0.01 0.84 0.02 -0.74 0.02 0.00 0.00 177.57 177.72 3iha h HIS 121 N 0.05 0.73 -0.98 1.57 6.17 -0.56 -2.80 115.15 119.33 3iha h HIS 121 Ca -0.17 -0.12 0.20 0.00 0.71 0.00 0.00 60.37 60.99 3iha h HIS 121 Cb 1.96 -0.19 -0.11 0.00 2.52 0.00 0.00 27.41 31.58 3iha h HIS 121 CO 0.05 0.75 0.58 0.37 0.71 0.00 0.00 177.93 180.38 3iha h GLN 122 N 0.51 0.66 -0.00 5.26 5.75 -1.38 0.26 115.11 126.17 3iha h GLN 122 Ca 0.11 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3iha h GLN 122 Cb 0.44 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3iha h GLN 122 CO 0.02 0.44 -0.07 1.28 -2.65 0.00 0.00 178.83 177.85 3iha n LEU 123 N -4.83 0.52 -0.32 -2.39 4.77 -1.08 -4.67 117.00 109.02 3iha n LEU 123 Ca 0.24 -0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 3iha n LEU 123 Cb 0.61 -0.12 0.29 0.00 -2.33 0.00 0.00 43.42 41.87 3iha n LEU 123 CO 0.19 0.09 0.86 -0.07 -1.33 0.00 0.00 177.39 177.14 3iha h LEU 124 N 0.72 -0.27 0.00 2.23 3.38 -0.73 -3.33 115.31 117.30 3iha h LEU 124 Ca 0.00 0.24 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 3iha h LEU 124 Cb 0.31 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3iha h LEU 124 CO 0.00 -0.28 -1.54 0.52 0.09 0.00 0.00 178.44 177.23 3iha n VAL 125 N -5.38 0.54 0.00 1.22 0.31 -1.26 -4.44 118.33 109.32 3iha n VAL 125 Ca 0.22 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3iha n VAL 125 Cb 0.73 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 3iha n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iha n GLY 126 N 2.77 -0.86 0.31 2.92 0.00 -1.25 -4.83 105.19 104.25 3iha n GLY 126 Ca -0.18 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.73 3iha n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iha h PRO 127 N 0.00 0.81 -0.63 1.61 0.11 -1.90 -3.01 132.00 128.99 3iha h PRO 127 Ca 0.00 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.88 3iha h PRO 127 Cb 0.00 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 30.82 3iha h PRO 127 CO 0.00 0.54 0.19 0.39 -0.21 0.00 0.00 178.00 178.91 3iha n GLU 128 N -4.71 3.46 -2.37 1.05 4.71 -1.26 -5.00 120.64 116.51 3iha n GLU 128 Ca 0.13 -3.07 -0.37 0.00 -0.01 0.00 0.00 57.16 53.84 3iha n GLU 128 Cb 0.26 -2.13 -0.02 0.00 -1.01 0.00 0.00 31.44 28.54 3iha n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3iha s ALA 129 N -3.00 3.09 0.47 0.62 0.00 -1.14 -5.02 121.76 116.78 3iha s ALA 129 Ca 0.52 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 3iha s ALA 129 Cb 0.42 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 3iha s ALA 129 CO 0.12 -0.45 0.92 -1.54 0.00 0.00 0.00 175.76 174.80 3iha s SER 130 N -1.33 6.65 0.26 0.00 1.04 -1.26 -4.90 113.70 114.16 3iha s SER 130 Ca 0.59 1.47 -0.05 0.00 0.48 0.00 0.00 55.95 58.44 3iha s SER 130 Cb -0.27 -2.46 0.49 0.00 0.10 0.00 0.00 66.02 63.88 3iha s SER 130 CO 0.34 -0.50 1.63 -0.09 0.98 0.00 0.00 173.24 175.61 3iha h ARG 131 N 1.19 0.11 -0.14 4.02 2.43 -1.98 0.11 114.38 120.11 3iha h ARG 131 Ca -0.47 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.55 3iha h ARG 131 Cb 1.18 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3iha h ARG 131 CO 0.62 0.07 -0.52 -0.22 -1.51 0.00 0.00 179.97 178.42 3iha h LYS 132 N 0.11 0.40 -0.50 0.20 1.63 -1.99 -2.80 116.57 113.62 3iha h LYS 132 Ca 0.44 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3iha h LYS 132 Cb 0.81 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 3iha h LYS 132 CO -0.68 0.82 0.29 0.93 -3.45 0.00 0.00 179.45 177.36 3iha h GLU 133 N 0.31 0.69 -0.17 1.90 5.08 -1.19 -2.33 114.58 118.88 3iha h GLU 133 Ca 0.01 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3iha h GLU 133 Cb 1.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3iha h GLU 133 CO 0.09 0.53 -0.13 0.00 -1.00 0.00 0.00 179.01 178.50 3iha h ARG 134 N 0.67 0.39 -0.01 2.33 3.08 -1.32 -1.60 114.38 117.92 3iha h ARG 134 Ca 0.18 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3iha h ARG 134 Cb 0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3iha h ARG 134 CO -0.03 0.73 0.06 1.25 -1.07 0.00 0.00 179.97 180.91 3iha h LEU 135 N 0.05 0.00 0.04 3.04 7.12 -1.43 0.11 115.31 124.23 3iha h LEU 135 Ca 0.03 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.77 3iha h LEU 135 Cb 0.64 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.73 3iha h LEU 135 CO 0.03 0.00 -1.49 0.44 -0.13 0.00 0.00 178.44 177.29 3iha h ASP 136 N 0.00 0.12 -0.21 1.25 3.32 -0.98 -2.73 116.42 117.18 3iha h ASP 136 Ca 0.00 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.76 3iha h ASP 136 Cb 0.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3iha h ASP 136 CO -0.00 1.16 -0.23 -0.09 -1.72 0.00 0.00 179.24 178.35 3iha h ARG 137 N 0.02 0.68 0.55 3.56 9.65 0.07 0.24 114.38 129.14 3iha h ARG 137 Ca -0.21 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.38 3iha h ARG 137 Cb 1.95 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 30.50 3iha h ARG 137 CO 0.11 0.85 -0.26 0.00 2.80 0.00 0.00 179.97 183.47 3iha h ALA 138 N 1.15 -0.74 -0.06 2.80 0.00 -0.94 -1.82 119.26 119.66 3iha h ALA 138 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3iha h ALA 138 Cb 0.71 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3iha h ALA 138 CO 0.05 -0.88 -0.26 0.28 0.00 0.00 0.00 179.25 178.45 3iha h VAL 139 N -0.81 1.21 0.03 0.00 2.07 -1.38 -3.19 116.25 114.17 3iha h VAL 139 Ca -0.08 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3iha h VAL 139 Cb 0.60 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3iha h VAL 139 CO 0.12 0.29 -0.01 -0.08 0.02 0.00 0.00 177.57 177.91 3iha h GLU 140 N 0.09 -0.03 -0.75 1.57 4.81 -0.31 -0.44 114.58 119.53 3iha h GLU 140 Ca 0.01 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3iha h GLU 140 Cb 0.51 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 3iha h GLU 140 CO 0.04 0.38 0.47 0.97 -0.73 0.00 0.00 179.01 180.13 3iha h ILE 141 N -0.45 1.11 -0.38 2.32 6.09 -1.37 0.73 117.51 125.55 3iha h ILE 141 Ca -0.00 -0.32 -0.04 0.00 -1.37 0.00 0.00 64.86 63.13 3iha h ILE 141 Cb 0.42 0.11 -0.02 0.00 0.47 0.00 0.00 36.82 37.80 3iha h ILE 141 CO 0.01 0.17 0.09 0.24 -3.07 0.00 0.00 178.15 175.58 3iha h MET 142 N 0.92 0.61 -0.49 2.19 2.86 -1.57 -2.80 114.93 116.64 3iha h MET 142 Ca 0.30 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3iha h MET 142 Cb 0.01 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3iha h MET 142 CO -0.11 0.65 0.30 0.77 1.06 0.00 0.00 176.91 179.58 3iha h SER 143 N 0.47 0.48 0.32 1.22 0.02 -0.52 -0.95 113.55 114.59 3iha h SER 143 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3iha h SER 143 Cb 0.32 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3iha h SER 143 CO 0.00 0.34 0.00 -0.07 -1.14 0.00 0.00 176.83 175.97 3iha h LEU 144 N 0.59 0.00 0.01 5.07 3.38 -0.70 -1.09 115.31 122.58 3iha h LEU 144 Ca 0.20 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.78 3iha h LEU 144 Cb 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3iha h LEU 144 CO -0.09 0.00 -2.44 0.18 0.09 0.00 0.00 178.44 176.19 3iha n LEU 145 N -2.48 2.79 0.28 1.67 4.77 -0.81 -4.22 117.00 119.00 3iha n LEU 145 Ca -0.00 -0.11 0.18 0.00 -0.03 0.00 0.00 56.01 56.05 3iha n LEU 145 Cb 0.13 -0.85 0.79 0.00 -2.33 0.00 0.00 43.42 41.16 3iha n LEU 145 CO 0.16 0.91 1.03 0.00 -1.33 0.00 0.00 177.39 178.16 3iha h ALA 146 N 0.06 1.00 0.00 -1.18 0.00 -1.01 -3.37 119.26 114.76 3iha h ALA 146 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3iha h ALA 146 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3iha h ALA 146 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3iha n GLY 147 N -0.22 0.48 3.78 0.00 0.00 -0.43 -4.91 105.19 103.88 3iha n GLY 147 Ca -0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 3iha n GLY 147 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iha s ARG 148 N -1.33 1.70 -0.01 1.61 1.70 -1.09 -5.05 118.95 116.47 3iha s ARG 148 Ca 0.00 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.03 3iha s ARG 148 Cb 0.00 0.60 -0.03 0.00 -0.57 0.00 0.00 34.95 34.95 3iha s ARG 148 CO 0.00 -0.77 0.97 0.50 -1.08 0.00 0.00 175.30 174.92 3iha s ARG 149 N -3.90 4.54 0.18 3.89 3.52 -1.26 -4.53 118.95 121.38 3iha s ARG 149 Ca 0.10 1.38 0.05 0.00 -0.13 0.00 0.00 55.73 57.14 3iha s ARG 149 Cb -0.05 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3iha s ARG 149 CO 0.04 -0.07 0.14 -0.51 -0.81 0.00 0.00 175.30 174.10 3iha s LEU 150 N 1.09 3.80 0.25 -0.88 1.43 -1.26 -5.10 118.68 118.01 3iha s LEU 150 Ca 0.51 -0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.56 3iha s LEU 150 Cb -0.21 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 3iha s LEU 150 CO 0.26 0.05 -0.17 -0.44 0.23 0.00 0.00 176.35 176.29 3iha s SER 151 N -3.23 3.78 -0.22 2.29 0.01 -1.26 -4.96 113.70 110.11 3iha s SER 151 Ca 0.31 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.58 3iha s SER 151 Cb -0.10 -0.42 -0.05 0.00 0.21 0.00 0.00 66.02 65.66 3iha s SER 151 CO 0.24 0.06 0.18 -0.69 0.41 0.00 0.00 173.24 173.43 3iha s VAL 152 N -2.20 5.36 -0.78 3.43 1.01 -1.26 -0.44 120.40 125.51 3iha s VAL 152 Ca 0.28 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 3iha s VAL 152 Cb -0.06 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.87 3iha s VAL 152 CO 0.15 0.37 1.15 -0.62 0.00 0.00 0.00 175.10 176.15 3iha s ASP 153 N 0.83 6.30 0.52 3.32 2.15 -0.70 -4.83 116.67 124.26 3iha s ASP 153 Ca 0.09 -1.09 0.35 0.00 0.43 0.00 0.00 52.55 52.33 3iha s ASP 153 Cb -0.13 -2.48 1.66 0.00 -0.30 0.00 0.00 42.92 41.67 3iha s ASP 153 CO 0.03 -1.50 2.04 -0.50 -0.17 0.00 0.00 175.17 175.07 3iha h TRP 154 N 9.61 0.00 -0.55 -5.34 4.06 -1.95 -0.82 115.95 120.96 3iha h TRP 154 Ca -0.14 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.73 3iha h TRP 154 Cb 1.05 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 3iha h TRP 154 CO 1.09 0.00 0.04 1.49 -3.56 0.00 0.00 178.44 177.50 3iha h GLU 155 N 0.00 0.95 -0.18 0.49 4.81 -1.99 0.27 114.58 118.93 3iha h GLU 155 Ca 0.00 -0.29 -0.21 0.00 -0.13 0.00 0.00 59.36 58.73 3iha h GLU 155 Cb 0.25 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.54 3iha h GLU 155 CO 0.00 0.94 -0.73 1.15 -0.73 0.00 0.00 179.01 179.65 3iha h THR 156 N 0.84 1.28 0.11 0.32 2.02 -1.70 -2.45 112.91 113.32 3iha h THR 156 Ca 0.16 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.42 3iha h THR 156 Cb 0.49 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3iha h THR 156 CO 0.02 0.61 -0.05 0.22 0.37 0.00 0.00 175.52 176.69 3iha h TYR 157 N 0.56 -0.14 -0.97 3.16 3.20 -0.91 -1.24 116.97 120.62 3iha h TYR 157 Ca -0.04 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.84 3iha h TYR 157 Cb 1.35 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.62 3iha h TYR 157 CO 0.09 -0.04 0.64 1.49 -1.64 0.00 0.00 178.16 178.70 3iha h GLU 158 N -0.21 1.26 -0.21 1.82 4.81 -0.52 -0.09 114.58 121.44 3iha h GLU 158 Ca -0.02 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3iha h GLU 158 Cb 0.17 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3iha h GLU 158 CO 0.03 0.83 0.10 1.03 -0.73 0.00 0.00 179.01 180.27 3iha h SER 159 N 1.29 0.27 0.59 1.04 0.87 -1.25 -3.02 113.55 113.35 3iha h SER 159 Ca 0.36 -0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 3iha h SER 159 Cb -0.11 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3iha h SER 159 CO -0.09 0.31 -0.74 -0.08 -0.53 0.00 0.00 176.83 175.71 3iha h GLU 160 N 0.21 0.12 -0.00 2.24 4.81 -1.01 -3.15 114.58 117.79 3iha h GLU 160 Ca 0.07 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3iha h GLU 160 Cb 0.11 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3iha h GLU 160 CO -0.01 0.80 -0.09 0.52 -0.73 0.00 0.00 179.01 179.50 3iha h MET 161 N 0.08 0.01 0.00 1.92 2.86 -0.94 -1.92 114.93 116.93 3iha h MET 161 Ca -0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3iha h MET 161 Cb 1.30 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3iha h MET 161 CO 0.11 0.10 0.00 0.00 1.06 0.00 0.00 176.91 178.18 3iha n ALA 162 N -2.52 2.08 -2.73 6.32 0.00 -1.15 -3.29 120.51 119.23 3iha n ALA 162 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 3iha n ALA 162 Cb 0.17 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.31 3iha n ALA 162 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3iha n VAL 163 N -1.37 1.06 -1.33 0.00 0.24 -0.75 -4.93 118.33 111.24 3iha n VAL 163 Ca 0.08 -2.93 -0.27 0.00 -2.04 0.00 0.00 64.34 59.18 3iha n VAL 163 Cb 0.21 0.92 0.13 0.00 -1.47 0.00 0.00 33.84 33.63 3iha n VAL 163 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3iha n SER 164 N -0.30 5.40 0.12 -1.34 7.64 -1.03 -4.71 113.62 119.39 3iha n SER 164 Ca 0.08 -3.71 -0.13 0.00 1.01 0.00 0.00 58.87 56.11 3iha n SER 164 Cb 0.81 -0.86 -0.07 0.00 -1.01 0.00 0.00 64.21 63.08 3iha n SER 164 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3iha h ASP 165 N 1.48 -0.18 -0.99 6.43 3.32 -1.90 -2.34 116.42 122.25 3iha h ASP 165 Ca 0.58 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.69 3iha h ASP 165 Cb 1.83 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 41.36 3iha h ASP 165 CO 1.24 -0.12 0.64 -0.09 -1.72 0.00 0.00 179.24 179.19 3iha h ARG 166 N -0.22 1.13 -0.43 3.56 2.43 -2.00 -0.06 114.38 118.80 3iha h ARG 166 Ca -0.02 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 3iha h ARG 166 Cb 0.17 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3iha h ARG 166 CO 0.04 0.75 -0.25 -0.91 -1.51 0.00 0.00 179.97 178.09 3iha h ASN 167 N 1.17 0.95 -0.61 -3.80 2.35 -1.91 -2.63 115.58 111.10 3iha h ASN 167 Ca 0.42 -0.42 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3iha h ASN 167 Cb 0.15 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3iha h ASN 167 CO -0.16 1.16 0.39 -0.07 -1.65 0.00 0.00 177.43 177.10 3iha h LEU 168 N 0.75 0.64 -0.38 1.61 3.38 -0.83 -1.22 115.31 119.26 3iha h LEU 168 Ca 0.09 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3iha h LEU 168 Cb 0.82 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3iha h LEU 168 CO 0.07 0.46 -0.02 -1.28 0.09 0.00 0.00 178.44 177.75 3iha h SER 169 N 0.77 -0.21 -0.39 -0.43 0.87 -0.88 0.39 113.55 113.67 3iha h SER 169 Ca 0.24 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 3iha h SER 169 Cb -0.02 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3iha h SER 169 CO -0.08 -0.06 0.19 -0.07 -0.53 0.00 0.00 176.83 176.27 3iha h LEU 170 N 0.08 0.56 -0.29 2.23 3.38 -1.04 -1.56 115.31 118.66 3iha h LEU 170 Ca 0.19 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3iha h LEU 170 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3iha h LEU 170 CO -0.33 0.50 0.04 0.00 0.09 0.00 0.00 178.44 178.74 3iha h ALA 171 N 1.59 0.39 0.35 1.53 0.00 0.04 -0.63 119.26 122.54 3iha h ALA 171 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iha h ALA 171 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iha h ALA 171 CO -0.02 0.08 -0.17 0.45 0.00 0.00 0.00 179.25 179.59 3iha h HIS 172 N 0.30 -0.44 -0.73 0.00 3.86 -0.65 -1.14 115.15 116.34 3iha h HIS 172 Ca 0.09 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.45 3iha h HIS 172 Cb 0.35 0.14 -0.11 0.00 1.06 0.00 0.00 27.41 28.85 3iha h HIS 172 CO 0.02 -0.15 0.18 1.98 0.86 0.00 0.00 177.93 180.82 3iha h MET 173 N -0.69 0.27 -0.98 2.45 -1.53 -1.31 0.26 114.93 113.40 3iha h MET 173 Ca -0.05 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.22 3iha h MET 173 Cb 0.48 -0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 31.42 3iha h MET 173 CO 0.08 0.18 0.64 -0.07 0.14 0.00 0.00 176.91 177.88 3iha h LEU 174 N 0.27 1.09 -0.32 3.39 3.38 -0.85 -2.84 115.31 119.43 3iha h LEU 174 Ca 0.41 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 3iha h LEU 174 Cb 0.70 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3iha h LEU 174 CO -0.51 0.76 0.11 0.03 0.09 0.00 0.00 178.44 178.92 3iha h ARG 175 N 1.27 0.49 -0.76 1.13 3.08 0.74 -0.73 114.38 119.60 3iha h ARG 175 Ca 0.38 -0.10 0.20 0.00 0.07 0.00 0.00 59.98 60.53 3iha h ARG 175 Cb -0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 3iha h ARG 175 CO -0.11 0.52 0.53 0.66 -1.07 0.00 0.00 179.97 180.50 3iha h SER 176 N 0.36 0.14 -0.39 7.04 4.64 -0.95 0.42 113.55 124.82 3iha h SER 176 Ca 0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3iha h SER 176 Cb 0.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3iha h SER 176 CO -0.01 0.06 0.00 -1.22 -0.87 0.00 0.00 176.83 174.80 3iha n TYR 177 N -4.38 0.52 -2.68 4.77 4.02 -0.95 -4.95 117.16 113.49 3iha n TYR 177 Ca 0.15 -0.26 -0.16 0.00 -0.01 0.00 0.00 57.90 57.63 3iha n TYR 177 Cb 0.73 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.07 3iha n TYR 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iha n GLY 178 N 1.33 -0.19 0.02 2.72 0.00 0.15 -4.89 105.19 104.32 3iha n GLY 178 Ca 0.18 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3iha n GLY 178 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iha n VAL 179 N -4.12 0.07 -4.67 1.61 0.31 -0.32 -4.80 118.33 106.41 3iha n VAL 179 Ca -0.10 -0.51 -0.32 0.00 -0.01 0.00 0.00 64.34 63.40 3iha n VAL 179 Cb 0.60 -0.04 -0.17 0.00 -0.91 0.00 0.00 33.84 33.33 3iha n VAL 179 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3iha s LEU 180 N -4.61 2.09 -0.16 7.52 1.43 -1.22 -4.90 118.68 118.84 3iha s LEU 180 Ca -0.07 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3iha s LEU 180 Cb 0.14 -1.43 -0.23 0.00 0.03 0.00 0.00 46.19 44.70 3iha s LEU 180 CO 0.90 0.08 0.21 0.00 0.23 0.00 0.00 176.35 177.77 3iha n GLN 181 N 4.07 0.69 0.00 1.70 0.00 -1.26 -4.45 117.38 118.13 3iha n GLN 181 Ca -0.20 0.20 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3iha n GLN 181 Cb 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.11 3iha n GLN 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3iha n ASP 182 N -3.22 0.00 -4.84 2.61 10.43 -1.26 -5.04 116.55 115.24 3iha n ASP 182 Ca -0.33 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 56.68 3iha n ASP 182 Cb 1.05 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.95 3iha n ASP 182 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3iha s SER 183 N -1.17 6.87 0.14 -2.24 0.15 -1.26 -5.00 113.70 111.19 3iha s SER 183 Ca 0.00 1.20 -0.17 0.00 0.70 0.00 0.00 55.95 57.67 3iha s SER 183 Cb 0.00 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3iha s SER 183 CO 0.00 0.02 1.77 0.00 1.20 0.00 0.00 173.24 176.23 3iha h ALA 184 N 3.23 0.37 -0.32 5.45 0.00 -1.95 -2.00 119.26 124.04 3iha h ALA 184 Ca -0.48 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3iha h ALA 184 Cb 1.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3iha h ALA 184 CO 0.66 -0.24 -0.05 0.93 0.00 0.00 0.00 179.25 180.55 3iha h GLU 185 N 0.31 0.51 0.06 0.00 3.07 -1.94 -1.42 114.58 115.17 3iha h GLU 185 Ca 0.13 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iha h GLU 185 Cb 0.05 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3iha h GLU 185 CO -0.09 0.58 -0.03 1.49 -1.40 0.00 0.00 179.01 179.55 3iha h GLU 186 N 0.48 -0.08 -0.30 2.33 4.81 -1.84 -2.38 114.58 117.61 3iha h GLU 186 Ca 0.10 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3iha h GLU 186 Cb 0.40 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3iha h GLU 186 CO 0.02 0.27 0.09 0.82 -0.73 0.00 0.00 179.01 179.47 3iha h ILE 187 N -0.43 1.20 -1.00 2.32 1.08 -1.32 -1.33 117.51 118.04 3iha h ILE 187 Ca -0.01 -0.66 0.04 0.00 -0.39 0.00 0.00 64.86 63.84 3iha h ILE 187 Cb 0.38 1.08 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 3iha h ILE 187 CO 0.01 0.22 0.66 0.58 -0.69 0.00 0.00 178.15 178.93 3iha h VAL 188 N 0.32 1.17 -0.19 1.67 2.07 -1.30 -0.50 116.25 119.49 3iha h VAL 188 Ca 0.10 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3iha h VAL 188 Cb 0.25 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3iha h VAL 188 CO -0.00 0.23 -0.20 0.00 0.02 0.00 0.00 177.57 177.61 3iha h ALA 189 N 1.42 0.27 -0.18 1.67 0.00 -1.29 0.50 119.26 121.65 3iha h ALA 189 Ca 0.40 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3iha h ALA 189 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3iha h ALA 189 CO -0.13 0.21 -0.05 0.78 0.00 0.00 0.00 179.25 180.07 3iha h GLY 190 N 0.12 0.12 0.86 0.00 0.00 -0.98 -0.65 103.07 102.55 3iha h GLY 190 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.44 3iha h GLY 190 CO 0.05 -0.07 0.19 -1.82 0.00 0.00 0.00 176.54 174.89 3iha h TYR 191 N -0.00 0.35 0.00 5.60 3.20 -0.97 -1.09 116.97 124.06 3iha h TYR 191 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3iha h TYR 191 Cb 0.14 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 3iha h TYR 191 CO -0.20 0.19 -0.05 0.28 -1.64 0.00 0.00 178.16 176.74 3iha h VAL 192 N 0.38 0.31 0.05 1.81 2.07 0.36 -1.94 116.25 119.29 3iha h VAL 192 Ca 0.15 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3iha h VAL 192 Cb 0.04 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3iha h VAL 192 CO -0.09 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 177.52 3iha h ALA 193 N 1.95 -0.06 -0.79 1.67 0.00 0.06 -3.17 119.26 118.92 3iha h ALA 193 Ca -0.00 -0.32 0.20 0.00 0.00 0.00 0.00 54.91 54.78 3iha h ALA 193 Cb 0.21 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3iha h ALA 193 CO 0.01 -0.14 0.54 0.37 0.00 0.00 0.00 179.25 180.03 3iha h GLN 194 N -0.85 0.22 0.00 0.00 4.15 -0.98 0.65 115.11 118.30 3iha h GLN 194 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3iha h GLN 194 Cb 0.67 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.31 3iha h GLN 194 CO 0.01 0.14 0.00 0.00 -1.93 0.00 0.00 178.83 177.05 3iha n ALA 196 N -1.94 2.42 -1.78 0.00 0.00 0.23 0.07 120.51 119.50 3iha n ALA 196 Ca 0.03 -1.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.06 3iha n ALA 196 Cb 0.36 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 3iha n ALA 196 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iha s VAL 197 N -1.31 2.30 -0.20 0.00 1.01 -1.15 -1.72 120.40 119.33 3iha s VAL 197 Ca 0.40 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 3iha s VAL 197 Cb 0.21 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3iha s VAL 197 CO 0.29 0.07 0.32 -0.76 0.00 0.00 0.00 175.10 175.01 3iha s LEU 198 N -1.68 4.16 0.10 3.92 1.43 0.42 -1.01 118.68 126.02 3iha s LEU 198 Ca 0.53 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 3iha s LEU 198 Cb -0.44 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 3iha s LEU 198 CO 0.57 -0.01 -0.07 0.68 0.23 0.00 0.00 176.35 177.75 3iha s VAL 199 N 1.07 0.74 0.39 -1.59 -7.23 -0.26 -4.51 120.40 109.02 3iha s VAL 199 Ca 0.16 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.51 3iha s VAL 199 Cb -0.14 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 3iha s VAL 199 CO 0.06 -0.83 0.34 0.42 -0.31 0.00 0.00 175.10 174.78 3iha s THR 200 N -3.44 2.93 0.44 5.32 -4.23 -1.26 -1.30 115.64 114.10 3iha s THR 200 Ca 0.11 -1.38 0.22 0.00 -1.18 0.00 0.00 61.69 59.46 3iha s THR 200 Cb 0.04 -3.05 0.25 0.00 1.34 0.00 0.00 72.50 71.08 3iha s THR 200 CO -0.04 -0.06 2.05 0.58 -0.54 0.00 0.00 174.62 176.61 3iha h VAL 201 N 1.13 0.80 0.00 2.29 2.07 -1.73 -1.85 116.25 118.96 3iha h VAL 201 Ca -0.43 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 3iha h VAL 201 Cb 1.26 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3iha h VAL 201 CO 0.58 0.14 -0.61 0.11 0.02 0.00 0.00 177.57 177.81 3iha h LYS 202 N 0.00 0.00 -0.03 1.57 1.57 -1.85 -2.74 116.57 115.10 3iha h LYS 202 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3iha h LYS 202 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3iha h LYS 202 CO 0.02 0.61 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.05 3iha h ASP 203 N 0.00 0.06 -0.64 0.86 3.32 -1.65 -2.78 116.42 115.58 3iha h ASP 203 Ca -0.01 -0.42 0.10 0.00 0.02 0.00 0.00 57.03 56.73 3iha h ASP 203 Cb 1.10 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 3iha h ASP 203 CO 0.08 0.47 0.24 -0.07 -1.72 0.00 0.00 179.24 178.24 3iha h LEU 204 N -0.35 0.23 -0.72 1.55 3.38 -1.49 0.60 115.31 118.51 3iha h LEU 204 Ca 0.01 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3iha h LEU 204 Cb 0.44 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3iha h LEU 204 CO 0.00 0.13 0.40 0.00 0.09 0.00 0.00 178.44 179.06 3iha h ALA 205 N 1.45 0.98 -0.12 1.53 0.00 -1.38 0.64 119.26 122.36 3iha h ALA 205 Ca 0.33 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3iha h ALA 205 Cb 0.43 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3iha h ALA 205 CO -0.33 0.07 -0.13 0.28 0.00 0.00 0.00 179.25 179.13 3iha h VAL 206 N 0.72 1.36 -0.70 0.00 2.07 -0.75 -1.82 116.25 117.13 3iha h VAL 206 Ca 0.33 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 3iha h VAL 206 Cb 0.24 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3iha h VAL 206 CO -0.20 0.38 0.20 0.24 0.02 0.00 0.00 177.57 178.20 3iha h MET 207 N -0.10 1.11 0.00 1.57 2.07 0.39 -1.81 114.93 118.16 3iha h MET 207 Ca 0.02 -0.25 -0.04 0.00 -2.07 0.00 0.00 59.70 57.35 3iha h MET 207 Cb 0.66 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.23 3iha h MET 207 CO 0.03 0.97 -0.20 0.78 1.07 0.00 0.00 176.91 179.56 3iha h GLY 208 N 1.05 0.00 2.00 8.32 0.00 0.28 -2.61 103.07 112.11 3iha h GLY 208 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3iha h GLY 208 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3iha h ALA 209 N 1.80 1.00 -0.12 3.60 0.00 -0.45 -2.59 119.26 122.50 3iha h ALA 209 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3iha h ALA 209 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3iha h ALA 209 CO 0.03 0.00 -0.79 0.00 0.00 0.00 0.00 179.25 178.48 3iha h LEU 211 N 0.47 0.96 -0.16 0.00 3.38 -1.60 0.21 115.31 118.57 3iha h LEU 211 Ca -0.05 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3iha h LEU 211 Cb 1.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3iha h LEU 211 CO 0.16 1.13 0.09 0.00 0.09 0.00 0.00 178.44 179.91 3iha h ALA 212 N 0.86 0.20 0.00 1.53 0.00 -1.43 -2.44 119.26 117.98 3iha h ALA 212 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iha h ALA 212 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3iha h ALA 212 CO 0.06 -0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.23 3iha n THR 213 N -4.99 0.79 -0.71 0.00 -2.24 -0.92 -0.38 114.28 105.82 3iha n THR 213 Ca -0.04 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3iha n THR 213 Cb 0.04 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 3iha n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iha n GLY 214 N 0.00 0.95 0.00 3.38 0.00 -0.92 -4.31 105.19 104.30 3iha n GLY 214 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3iha n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iha n GLY 215 N -1.77 2.60 3.78 -0.02 0.00 0.74 -3.48 105.19 107.06 3iha n GLY 215 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3iha n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iha s ILE 216 N -2.30 4.02 -0.35 -0.61 -1.09 -1.25 0.42 121.20 120.03 3iha s ILE 216 Ca 0.00 1.60 -0.19 0.00 -2.23 0.00 0.00 60.65 59.83 3iha s ILE 216 Cb 0.00 -3.85 -0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3iha s ILE 216 CO 0.00 0.06 0.54 -2.28 -1.23 0.00 0.00 174.94 172.02 3iha s HIS 217 N -1.67 3.17 0.58 3.97 2.46 -0.18 -4.36 115.29 119.27 3iha s HIS 217 Ca 0.54 0.20 0.28 0.00 0.47 0.00 0.00 55.06 56.55 3iha s HIS 217 Cb -0.19 -2.97 1.61 0.00 -0.13 0.00 0.00 32.58 30.90 3iha s HIS 217 CO 0.25 -0.56 2.08 -1.00 -2.47 0.00 0.00 174.74 173.04 3iha h PRO 218 N 8.46 0.00 -0.01 2.88 0.13 -1.86 0.93 132.00 142.53 3iha h PRO 218 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3iha h PRO 218 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3iha h PRO 218 CO 0.79 0.00 -0.21 -1.33 -0.23 0.00 0.00 178.00 177.02 3iha n MET 219 N -3.86 0.93 0.00 0.86 2.81 -1.26 -2.54 117.12 114.05 3iha n MET 219 Ca 0.02 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 3iha n MET 219 Cb 0.36 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3iha n MET 219 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3iha n THR 220 N -0.58 0.00 -0.61 2.03 -2.24 -0.56 -5.00 114.28 107.32 3iha n THR 220 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3iha n THR 220 Cb 0.34 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3iha n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iha n GLY 221 N 0.00 0.00 3.73 3.38 0.00 0.31 -4.91 105.19 107.69 3iha n GLY 221 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3iha n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iha s GLU 222 N -1.22 4.49 -0.19 1.61 2.12 -1.25 -4.67 118.70 119.59 3iha s GLU 222 Ca 0.00 1.07 -0.29 0.00 0.36 0.00 0.00 54.97 56.11 3iha s GLU 222 Cb 0.00 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 3iha s GLU 222 CO 0.00 0.12 1.52 0.50 -0.54 0.00 0.00 175.26 176.86 3iha s ARG 223 N 0.53 3.96 -0.00 4.30 3.52 -1.26 -1.01 118.95 128.98 3iha s ARG 223 Ca 0.41 1.70 0.15 0.00 -0.13 0.00 0.00 55.73 57.86 3iha s ARG 223 Cb -0.19 -3.96 -0.19 0.00 -1.56 0.00 0.00 34.95 29.05 3iha s ARG 223 CO 0.22 -1.09 0.70 -1.33 -0.81 0.00 0.00 175.30 172.99 3iha n MET 224 N 7.34 0.63 -3.85 5.12 2.81 0.17 -4.95 117.12 124.38 3iha n MET 224 Ca 0.17 0.24 -0.10 0.00 -1.81 0.00 0.00 57.70 56.20 3iha n MET 224 Cb 0.45 -1.78 -0.08 0.00 -0.71 0.00 0.00 33.22 31.10 3iha n MET 224 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3iha s LEU 225 N -5.88 1.37 0.60 4.03 1.43 -1.13 -5.07 118.68 114.03 3iha s LEU 225 Ca -0.04 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 3iha s LEU 225 Cb 0.08 1.02 -0.03 0.00 0.03 0.00 0.00 46.19 47.29 3iha s LEU 225 CO 0.82 -0.65 1.20 -2.84 0.23 0.00 0.00 176.35 175.11 3iha s PRO 226 N -3.24 2.95 0.42 1.29 0.02 -1.26 -4.45 135.00 130.72 3iha s PRO 226 Ca 0.00 1.80 0.08 0.00 0.02 0.00 0.00 61.00 62.90 3iha s PRO 226 Cb 0.02 -1.93 0.90 0.00 0.02 0.00 0.00 34.50 33.51 3iha s PRO 226 CO -0.08 -1.21 2.06 0.66 -0.33 0.00 0.00 177.00 178.10 3iha h SER 227 N 0.82 0.40 1.23 2.53 4.64 -1.96 -2.43 113.55 118.79 3iha h SER 227 Ca -0.50 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.75 3iha h SER 227 Cb 1.29 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3iha h SER 227 CO 0.55 0.31 -0.25 -0.29 -0.87 0.00 0.00 176.83 176.28 3iha h ILE 228 N 0.47 0.51 0.20 0.95 2.10 -1.90 -1.52 117.51 118.32 3iha h ILE 228 Ca 0.12 -1.34 -0.32 0.00 1.08 0.00 0.00 64.86 64.41 3iha h ILE 228 Cb -0.02 1.95 0.04 0.00 -1.09 0.00 0.00 36.82 37.70 3iha h ILE 228 CO -0.02 0.24 -1.36 0.58 -1.08 0.00 0.00 178.15 176.50 3iha h VAL 229 N 0.00 1.29 -0.50 2.19 2.07 -1.81 -3.13 116.25 116.35 3iha h VAL 229 Ca -0.00 -2.60 -0.04 0.00 0.82 0.00 0.00 66.70 64.88 3iha h VAL 229 Cb 0.93 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 3iha h VAL 229 CO 0.03 0.78 0.16 0.00 0.02 0.00 0.00 177.57 178.57 3iha h ALA 230 N 0.20 0.66 -0.64 1.67 0.00 -1.44 -2.39 119.26 117.32 3iha h ALA 230 Ca -0.23 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.57 3iha h ALA 230 Cb 2.05 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 3iha h ALA 230 CO 0.26 0.31 0.33 -0.09 0.00 0.00 0.00 179.25 180.05 3iha h ARG 231 N 0.68 0.59 -0.46 0.00 2.43 -1.32 -1.26 114.38 115.03 3iha h ARG 231 Ca 0.16 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3iha h ARG 231 Cb 0.26 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3iha h ARG 231 CO -0.01 0.39 0.02 -0.09 -1.51 0.00 0.00 179.97 178.77 3iha h ARG 232 N 0.60 0.80 -0.73 0.20 9.65 -1.47 -0.14 114.38 123.28 3iha h ARG 232 Ca 0.29 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.95 3iha h ARG 232 Cb 0.23 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 3iha h ARG 232 CO -0.20 0.85 0.47 0.28 2.80 0.00 0.00 179.97 184.16 3iha h VAL 233 N 0.65 1.13 -0.40 0.20 2.07 -0.88 0.08 116.25 119.10 3iha h VAL 233 Ca 0.13 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 3iha h VAL 233 Cb 0.48 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3iha h VAL 233 CO 0.02 0.17 -0.23 0.58 0.02 0.00 0.00 177.57 178.13 3iha h VAL 234 N 0.94 1.27 -0.94 2.57 2.07 -1.10 -2.14 116.25 118.91 3iha h VAL 234 Ca 0.29 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3iha h VAL 234 Cb -0.03 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3iha h VAL 234 CO -0.09 0.45 0.62 0.28 0.02 0.00 0.00 177.57 178.85 3iha h SER 235 N 0.70 0.99 1.06 0.57 0.02 0.23 -1.45 113.55 115.67 3iha h SER 235 Ca 0.09 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 3iha h SER 235 Cb 0.75 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3iha h SER 235 CO 0.06 0.66 -0.68 0.58 -1.14 0.00 0.00 176.83 176.31 3iha h VAL 236 N 1.14 1.27 -0.39 2.27 2.07 -0.86 -2.91 116.25 118.83 3iha h VAL 236 Ca 0.39 -2.52 -0.13 0.00 0.82 0.00 0.00 66.70 65.27 3iha h VAL 236 Cb 0.10 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3iha h VAL 236 CO -0.14 0.67 -0.26 0.24 0.02 0.00 0.00 177.57 178.10 3iha h MET 237 N 0.00 0.81 -0.17 1.57 2.86 -0.62 -0.94 114.93 118.45 3iha h MET 237 Ca -0.01 -0.35 -0.15 0.00 -2.06 0.00 0.00 59.70 57.13 3iha h MET 237 Cb 1.39 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 3iha h MET 237 CO 0.09 0.98 -0.51 1.15 1.06 0.00 0.00 176.91 179.68 3iha h THR 238 N 0.70 1.33 0.00 2.22 2.02 -1.30 -1.02 112.91 116.85 3iha h THR 238 Ca 0.09 -1.75 -0.13 0.00 0.77 0.00 0.00 66.41 65.39 3iha h THR 238 Cb 0.80 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 3iha h THR 238 CO 0.07 0.54 -1.53 -1.54 0.37 0.00 0.00 175.52 173.42 3iha n SER 239 N -3.97 0.63 0.00 4.18 3.41 -1.10 -4.63 113.62 112.13 3iha n SER 239 Ca -0.02 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3iha n SER 239 Cb 0.57 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 3iha n SER 239 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3iha n SER 240 N -2.73 3.25 -0.32 4.04 7.64 -0.36 -4.60 113.62 120.53 3iha n SER 240 Ca -0.09 0.00 0.28 0.00 1.01 0.00 0.00 58.87 60.07 3iha n SER 240 Cb 0.77 0.63 0.53 0.00 -1.01 0.00 0.00 64.21 65.13 3iha n SER 240 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3iha h GLY 241 N 0.00 2.13 -2.99 0.23 0.00 -1.11 0.66 103.07 101.99 3iha h GLY 241 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3iha h GLY 241 CO 0.00 -0.70 0.09 1.03 0.00 0.00 0.00 176.54 176.97 3iha n MET 242 N -5.22 3.77 0.00 4.80 2.81 -1.26 -4.70 117.12 117.31 3iha n MET 242 Ca 0.35 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 53.18 3iha n MET 242 Cb 1.16 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3iha n MET 242 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3iha n TYR 243 N -0.08 0.00 0.85 2.03 4.02 0.23 -2.03 117.16 122.19 3iha n TYR 243 Ca 0.31 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.24 3iha n TYR 243 Cb 1.18 0.02 0.23 0.00 -0.02 0.00 0.00 39.34 40.76 3iha n TYR 243 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3iha n ASP 244 N 1.04 0.00 -0.55 7.72 8.00 -1.16 -1.91 116.55 129.69 3iha n ASP 244 Ca 0.00 -0.61 0.07 0.00 0.71 0.00 0.00 54.79 54.96 3iha n ASP 244 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 3iha n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iha n ALA 245 N -0.79 3.18 0.20 2.24 0.00 -0.86 -4.65 120.51 119.84 3iha n ALA 245 Ca 0.06 -3.01 0.08 0.00 0.00 0.00 0.00 53.44 50.58 3iha n ALA 245 Cb 0.03 -0.39 0.27 0.00 0.00 0.00 0.00 19.45 19.35 3iha n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iha h ALA 246 N 0.74 0.90 0.28 0.00 0.00 -1.39 -2.33 119.26 117.46 3iha h ALA 246 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3iha h ALA 246 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3iha h ALA 246 CO 0.01 0.32 -0.13 0.78 0.00 0.00 0.00 179.25 180.22 3iha h GLY 247 N 2.96 -0.39 2.00 0.00 0.00 -1.83 -0.84 103.07 104.97 3iha h GLY 247 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3iha h GLY 247 CO 0.03 -0.14 -0.23 0.06 0.00 0.00 0.00 176.54 176.26 3iha h GLN 248 N -0.87 0.00 -0.09 4.80 -0.00 -1.90 -2.48 115.11 114.56 3iha h GLN 248 Ca -0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.40 3iha h GLN 248 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.00 3iha h GLN 248 CO 0.06 0.23 -0.82 2.35 -0.00 0.00 0.00 178.83 180.66 3iha h TRP 249 N 0.00 0.84 -0.69 0.06 2.91 -1.42 0.44 115.95 118.10 3iha h TRP 249 Ca -0.00 -0.39 -0.07 0.00 1.13 0.00 0.00 58.89 59.55 3iha h TRP 249 Cb 0.43 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 3iha h TRP 249 CO 0.00 1.20 0.15 1.25 -1.03 0.00 0.00 178.44 180.01 3iha h LEU 250 N 0.40 1.04 0.39 0.65 6.46 -0.80 0.31 115.31 123.76 3iha h LEU 250 Ca -0.06 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 3iha h LEU 250 Cb 1.43 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3iha h LEU 250 CO 0.16 1.01 -0.19 0.00 -0.62 0.00 0.00 178.44 178.80 3iha h ALA 251 N 1.12 -0.53 0.00 1.25 0.00 -1.39 -1.05 119.26 118.65 3iha h ALA 251 Ca 0.21 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3iha h ALA 251 Cb 0.38 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3iha h ALA 251 CO 0.00 -0.53 -0.34 -0.44 0.00 0.00 0.00 179.25 177.94 3iha h ASP 252 N -1.06 0.00 0.00 0.00 3.32 -0.93 -3.38 116.42 114.37 3iha h ASP 252 Ca -0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3iha h ASP 252 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3iha h ASP 252 CO 0.09 0.34 -1.33 0.52 -1.72 0.00 0.00 179.24 177.14 3iha n VAL 253 N -4.08 0.32 -1.00 -1.35 0.31 0.05 -4.87 118.33 107.70 3iha n VAL 253 Ca -0.02 -0.09 -0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3iha n VAL 253 Cb 0.39 -1.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.81 3iha n VAL 253 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iha n GLY 254 N 2.68 0.47 3.20 2.92 0.00 -0.40 -4.56 105.19 109.51 3iha n GLY 254 Ca -0.11 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3iha n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iha s ILE 255 N -1.98 2.95 -0.03 -0.61 1.01 -1.26 -1.13 121.20 120.16 3iha s ILE 255 Ca 0.00 -1.05 -0.34 0.00 0.00 0.00 0.00 60.65 59.26 3iha s ILE 255 Cb 0.00 -2.52 -0.12 0.00 0.01 0.00 0.00 42.46 39.83 3iha s ILE 255 CO 0.00 0.15 1.84 -2.65 0.00 0.00 0.00 174.94 174.28 3iha n PRO 256 N 4.67 2.26 -3.60 2.79 -0.02 -1.26 -4.91 135.00 134.93 3iha n PRO 256 Ca -0.16 0.83 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3iha n PRO 256 Cb 0.47 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 3iha n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iha s ALA 257 N 3.51 -1.49 -0.02 3.55 0.00 -1.26 -2.16 121.76 123.89 3iha s ALA 257 Ca 0.90 1.11 0.04 0.00 0.00 0.00 0.00 51.96 54.01 3iha s ALA 257 Cb -0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 3iha s ALA 257 CO 0.48 -0.33 -0.14 0.21 0.00 0.00 0.00 175.76 175.97 3iha s LYS 258 N -1.05 1.31 0.09 0.00 2.47 -0.70 -4.39 119.74 117.46 3iha s LYS 258 Ca -0.10 -0.50 0.05 0.00 -1.56 0.00 0.00 55.97 53.85 3iha s LYS 258 Cb -0.02 -1.21 -0.04 0.00 -1.46 0.00 0.00 37.83 35.10 3iha s LYS 258 CO 0.07 0.25 -0.01 0.45 0.16 0.00 0.00 175.35 176.28 3iha s SER 259 N -0.13 4.96 0.03 1.43 0.15 -1.26 -1.00 113.70 117.88 3iha s SER 259 Ca 0.01 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.56 3iha s SER 259 Cb -0.08 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.04 3iha s SER 259 CO 0.00 0.18 -0.24 -0.83 1.20 0.00 0.00 173.24 173.56 3iha s GLY 260 N -2.24 1.42 0.00 9.45 0.00 -0.69 -4.00 107.32 111.26 3iha s GLY 260 Ca 0.25 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3iha s GLY 260 CO 0.17 -1.08 0.93 3.33 0.00 0.00 0.00 173.10 176.46 3iha n VAL 261 N 1.89 1.73 0.18 1.40 0.24 -1.26 -0.83 118.33 121.68 3iha n VAL 261 Ca -0.17 0.48 0.07 0.00 -2.04 0.00 0.00 64.34 62.69 3iha n VAL 261 Cb 0.52 -1.48 0.17 0.00 -1.47 0.00 0.00 33.84 31.58 3iha n VAL 261 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iha h ALA 262 N 1.80 0.85 0.00 2.33 0.00 -1.89 -3.38 119.26 118.96 3iha h ALA 262 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iha h ALA 262 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3iha h ALA 262 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.02 3iha n GLY 263 N 0.94 1.12 3.89 0.00 0.00 -0.01 -4.35 105.19 106.78 3iha n GLY 263 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3iha n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iha s GLY 264 N -0.88 2.01 -0.05 -0.02 0.00 -1.25 -0.97 107.32 106.16 3iha s GLY 264 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.27 3iha s GLY 264 CO 0.00 -0.33 -0.04 0.14 0.00 0.00 0.00 173.10 172.87 3iha s VAL 265 N -2.00 0.55 -0.14 1.40 1.01 -0.81 -1.71 120.40 118.70 3iha s VAL 265 Ca 0.45 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 3iha s VAL 265 Cb -0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3iha s VAL 265 CO 0.27 0.24 0.11 -0.22 0.00 0.00 0.00 175.10 175.50 3iha s LEU 266 N 1.07 4.15 0.08 3.92 0.20 -0.17 -1.95 118.68 125.99 3iha s LEU 266 Ca -0.09 0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.08 3iha s LEU 266 Cb -0.14 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 3iha s LEU 266 CO -0.01 0.31 -0.11 -0.83 -0.29 0.00 0.00 176.35 175.43 3iha s GLY 267 N -0.46 0.79 -0.30 7.98 0.00 -0.94 -1.72 107.32 112.67 3iha s GLY 267 Ca 0.11 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.83 3iha s GLY 267 CO 0.02 -1.10 0.50 0.00 0.00 0.00 0.00 173.10 172.52 3iha s ALA 268 N -1.86 -1.78 -0.48 3.20 0.00 -0.92 -1.45 121.76 118.46 3iha s ALA 268 Ca 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 3iha s ALA 268 Cb -0.07 -2.33 0.08 0.00 0.00 0.00 0.00 23.12 20.81 3iha s ALA 268 CO 0.01 -1.84 0.42 -1.17 0.00 0.00 0.00 175.76 173.18 3iha s LEU 269 N 2.58 5.71 -0.32 0.00 2.96 -0.78 -4.29 118.68 124.53 3iha s LEU 269 Ca 0.10 -1.40 -0.32 0.00 -0.22 0.00 0.00 54.13 52.30 3iha s LEU 269 Cb -0.11 -2.19 -0.14 0.00 0.50 0.00 0.00 46.19 44.26 3iha s LEU 269 CO -0.26 -0.68 1.07 -2.65 -1.32 0.00 0.00 176.35 172.50 3iha n PRO 270 N 5.22 0.00 -1.26 0.98 -0.02 -1.26 -0.91 135.00 137.75 3iha n PRO 270 Ca -0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.26 3iha n PRO 270 Cb 0.43 -1.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.85 3iha n PRO 270 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iha n GLY 271 N 2.62 0.96 1.57 -1.23 0.00 0.49 -4.82 105.19 104.78 3iha n GLY 271 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3iha n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iha n ARG 272 N -1.33 0.00 -3.61 1.61 1.74 -0.08 -4.97 116.66 110.03 3iha n ARG 272 Ca -0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 3iha n ARG 272 Cb 0.47 -0.21 -0.06 0.00 -1.02 0.00 0.00 32.46 31.64 3iha n ARG 272 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3iha s VAL 273 N -2.00 0.00 0.01 1.55 0.11 -1.10 -4.17 120.40 114.80 3iha s VAL 273 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3iha s VAL 273 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3iha s VAL 273 CO 0.00 0.00 0.19 -0.83 -3.33 0.00 0.00 175.10 171.13 3iha s GLY 274 N -0.55 2.18 0.08 6.54 0.00 0.77 -1.87 107.32 114.47 3iha s GLY 274 Ca 0.01 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.99 3iha s GLY 274 CO -0.03 -0.69 -0.12 -0.42 0.00 0.00 0.00 173.10 171.84 3iha s ILE 275 N -1.38 1.01 -0.08 0.90 1.01 -0.53 -1.43 121.20 120.71 3iha s ILE 275 Ca 0.29 -1.42 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 3iha s ILE 275 Cb -0.13 -1.15 0.04 0.00 0.01 0.00 0.00 42.46 41.24 3iha s ILE 275 CO 0.21 -0.37 0.17 -0.83 0.00 0.00 0.00 174.94 174.13 3iha s GLY 276 N -2.01 -0.06 0.12 6.18 0.00 -0.78 -2.22 107.32 108.55 3iha s GLY 276 Ca 0.00 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.52 3iha s GLY 276 CO 0.01 1.06 -0.08 0.14 0.00 0.00 0.00 173.10 174.23 3iha s VAL 277 N 1.18 0.92 -0.21 1.40 1.01 -0.82 0.44 120.40 124.31 3iha s VAL 277 Ca -0.09 -2.00 -0.09 0.00 0.00 0.00 0.00 61.98 59.80 3iha s VAL 277 Cb -0.11 -1.76 0.08 0.00 0.00 0.00 0.00 36.38 34.59 3iha s VAL 277 CO -0.07 -0.81 0.48 0.12 0.00 0.00 0.00 175.10 174.82 3iha s PHE 278 N -3.48 -0.85 -0.35 5.22 5.36 -0.25 -1.93 117.98 121.69 3iha s PHE 278 Ca 0.14 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 3iha s PHE 278 Cb 0.04 0.41 0.19 0.00 -0.34 0.00 0.00 43.02 43.31 3iha s PHE 278 CO -0.02 -0.47 0.79 0.45 -1.46 0.00 0.00 175.22 174.51 3iha s SER 279 N 2.14 -1.08 0.28 6.13 0.15 -0.15 -1.19 113.70 119.98 3iha s SER 279 Ca -0.06 -0.35 0.09 0.00 0.70 0.00 0.00 55.95 56.32 3iha s SER 279 Cb -0.10 1.45 0.85 0.00 -1.71 0.00 0.00 66.02 66.51 3iha s SER 279 CO -0.15 -0.14 1.30 -2.65 1.20 0.00 0.00 173.24 172.80 3iha n PRO 280 N 4.45 -0.06 -2.21 5.44 -0.02 -1.26 -4.60 135.00 136.74 3iha n PRO 280 Ca 0.08 1.19 -0.42 0.00 -2.02 0.00 0.00 63.50 62.33 3iha n PRO 280 Cb 0.58 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 3iha n PRO 280 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iha s ARG 281 N -5.54 4.32 0.08 -0.52 0.52 -1.26 -4.49 118.95 112.06 3iha s ARG 281 Ca -0.09 2.01 -0.03 0.00 -0.52 0.00 0.00 55.73 57.09 3iha s ARG 281 Cb 0.26 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3iha s ARG 281 CO 0.64 -0.47 0.29 -0.51 0.02 0.00 0.00 175.30 175.27 3iha s LEU 282 N 1.59 4.32 0.00 2.53 1.43 0.12 -1.57 118.68 127.10 3iha s LEU 282 Ca 0.64 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 3iha s LEU 282 Cb -0.34 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3iha s LEU 282 CO 0.29 0.14 0.00 -0.90 0.23 0.00 0.00 176.35 176.11 3iha n ASP 283 N 0.38 0.00 0.03 2.29 5.68 0.17 -2.72 116.55 122.38 3iha n ASP 283 Ca -0.05 -0.46 0.08 0.00 -0.50 0.00 0.00 54.79 53.86 3iha n ASP 283 Cb 0.52 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.86 3iha n ASP 283 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3iha n GLU 284 N -0.46 0.04 -0.06 0.11 0.00 -1.26 -2.72 120.64 116.29 3iha n GLU 284 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 57.16 57.46 3iha n GLU 284 Cb 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 31.44 29.93 3iha n GLU 284 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3iha n VAL 285 N -1.65 0.56 -0.14 3.84 0.24 -1.26 -4.99 118.33 114.92 3iha n VAL 285 Ca 0.03 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 3iha n VAL 285 Cb 0.20 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 3iha n VAL 285 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iha n GLY 286 N 0.23 0.62 3.96 7.63 0.00 -1.10 -5.08 105.19 111.43 3iha n GLY 286 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3iha n GLY 286 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iha s ASN 287 N -2.87 4.77 -0.71 1.61 0.01 -1.26 -4.57 114.94 111.91 3iha s ASN 287 Ca 0.00 0.10 -0.27 0.00 -0.71 0.00 0.00 52.86 51.98 3iha s ASN 287 Cb 0.00 -0.74 0.03 0.00 0.41 0.00 0.00 41.25 40.96 3iha s ASN 287 CO 0.00 -1.57 1.24 -0.55 -1.51 0.00 0.00 177.10 174.72 3iha s SER 288 N -4.56 6.20 0.12 -1.22 0.15 -1.26 0.43 113.70 113.56 3iha s SER 288 Ca 0.61 -0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.64 3iha s SER 288 Cb -0.09 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 3iha s SER 288 CO 0.43 -1.76 1.10 0.00 1.20 0.00 0.00 173.24 174.20 3iha n ALA 289 N 9.13 -0.40 0.43 5.45 0.00 -0.61 -0.17 120.51 134.35 3iha n ALA 289 Ca 0.03 0.62 0.12 0.00 0.00 0.00 0.00 53.44 54.22 3iha n ALA 289 Cb 0.49 -0.13 0.22 0.00 0.00 0.00 0.00 19.45 20.02 3iha n ALA 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iha h ARG 290 N 0.00 0.00 -0.05 0.00 3.08 -1.86 -2.92 114.38 112.63 3iha h ARG 290 Ca 0.14 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 3iha h ARG 290 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3iha h ARG 290 CO -0.68 0.00 -0.82 0.78 -1.07 0.00 0.00 179.97 178.19 3iha h GLY 291 N 4.30 0.47 1.46 0.04 0.00 -0.86 -0.65 103.07 107.84 3iha h GLY 291 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 3iha h GLY 291 CO 0.00 0.64 -0.93 -0.39 0.00 0.00 0.00 176.54 175.87 3iha h VAL 292 N 0.27 0.59 -0.01 4.60 -1.51 -1.11 -3.17 116.25 115.91 3iha h VAL 292 Ca -0.05 -1.96 -0.16 0.00 -1.23 0.00 0.00 66.70 63.31 3iha h VAL 292 Cb 1.42 2.15 -0.02 0.00 -2.13 0.00 0.00 31.29 32.71 3iha h VAL 292 CO 0.14 0.33 -0.73 0.25 -1.23 0.00 0.00 177.57 176.34 3iha h LEU 293 N 0.00 0.09 -0.95 4.19 5.85 -1.44 -2.17 115.31 120.89 3iha h LEU 293 Ca -0.07 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3iha h LEU 293 Cb 1.42 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3iha h LEU 293 CO 0.05 0.79 -0.39 0.00 -0.34 0.00 0.00 178.44 178.54 3iha h ALA 294 N 1.21 1.01 0.15 1.25 0.00 -1.15 -2.03 119.26 119.70 3iha h ALA 294 Ca -0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 54.91 54.23 3iha h ALA 294 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3iha h ALA 294 CO 0.10 0.49 -1.45 0.00 0.00 0.00 0.00 179.25 178.39 3iha h ARG 296 N 0.08 0.56 0.44 0.00 2.43 -1.26 -1.61 114.38 115.01 3iha h ARG 296 Ca -0.22 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3iha h ARG 296 Cb 2.03 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3iha h ARG 296 CO 0.19 0.50 -0.21 0.00 -1.51 0.00 0.00 179.97 178.94 3iha h ARG 297 N 0.55 -0.57 -0.91 0.20 2.47 -1.31 -2.23 114.38 112.58 3iha h ARG 297 Ca 0.13 0.04 0.23 0.00 -1.26 0.00 0.00 59.98 59.12 3iha h ARG 297 Cb 0.18 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.57 3iha h ARG 297 CO -0.01 -0.32 0.62 -0.07 0.56 0.00 0.00 179.97 180.75 3iha h LEU 298 N -1.11 0.29 -0.27 3.04 3.38 -1.15 -1.14 115.31 118.36 3iha h LEU 298 Ca -0.06 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 3iha h LEU 298 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3iha h LEU 298 CO 0.10 0.11 -0.76 -1.28 0.09 0.00 0.00 178.44 176.70 3iha h SER 299 N 0.29 0.73 1.06 -0.43 0.87 -1.29 -2.60 113.55 112.18 3iha h SER 299 Ca 0.47 -0.48 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 3iha h SER 299 Cb 1.36 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 3iha h SER 299 CO -0.14 1.25 -0.95 -0.33 -0.53 0.00 0.00 176.83 176.13 3iha h GLU 300 N 0.42 0.00 0.00 2.24 5.08 -0.61 -2.59 114.58 119.12 3iha h GLU 300 Ca -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3iha h GLU 300 Cb 1.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 3iha h GLU 300 CO 0.14 0.86 -1.22 -0.44 -1.00 0.00 0.00 179.01 177.36 3iha h ASP 301 N 0.00 0.00 -0.00 1.42 3.32 -1.36 -3.37 116.42 116.42 3iha h ASP 301 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3iha h ASP 301 Cb 1.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.26 3iha h ASP 301 CO 0.11 0.37 -0.00 0.49 -1.72 0.00 0.00 179.24 178.49 3iha n PHE 302 N -2.84 0.00 -2.11 4.55 0.99 -0.98 -4.98 117.46 112.09 3iha n PHE 302 Ca -0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.20 3iha n PHE 302 Cb 0.73 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.18 3iha n PHE 302 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3iha n ARG 303 N 0.18 -1.51 -1.86 -1.08 5.12 -0.98 -4.85 116.66 111.69 3iha n ARG 303 Ca 0.02 1.03 -0.42 0.00 -1.93 0.00 0.00 57.85 56.56 3iha n ARG 303 Cb 0.09 -5.54 -0.01 0.00 -1.16 0.00 0.00 32.46 25.84 3iha n ARG 303 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3iha n LEU 304 N -2.64 5.72 -4.27 0.55 4.77 -1.21 -4.77 117.00 115.15 3iha n LEU 304 Ca -0.22 -3.82 -0.30 0.00 -0.03 0.00 0.00 56.01 51.64 3iha n LEU 304 Cb 0.67 -1.60 -0.16 0.00 -2.33 0.00 0.00 43.42 40.00 3iha n LEU 304 CO 0.28 0.46 -0.55 -2.28 -1.33 0.00 0.00 177.39 173.96 3iha s HIS 305 N 4.24 2.17 0.53 -1.77 2.46 -1.26 -4.55 115.29 117.11 3iha s HIS 305 Ca 0.52 -0.46 0.20 0.00 0.47 0.00 0.00 55.06 55.79 3iha s HIS 305 Cb 0.11 -1.40 1.34 0.00 -0.13 0.00 0.00 32.58 32.50 3iha s HIS 305 CO -0.00 -0.07 2.10 1.25 -2.47 0.00 0.00 174.74 175.55 3iha h LEU 306 N 5.66 0.00 -2.07 8.88 5.85 -1.38 -1.38 115.31 130.87 3iha h LEU 306 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3iha h LEU 306 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3iha h LEU 306 CO 0.47 0.00 0.00 0.23 -0.34 0.00 0.00 178.44 178.80 3iha n MET 307 N -4.44 2.31 -3.25 1.25 2.81 -1.26 -4.57 117.12 109.97 3iha n MET 307 Ca 0.01 -2.03 -0.45 0.00 -1.81 0.00 0.00 57.70 53.42 3iha n MET 307 Cb 0.26 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3iha n MET 307 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3iha n ASP 308 N 1.16 5.54 -4.22 7.83 10.43 -0.52 -5.03 116.55 131.74 3iha n ASP 308 Ca 0.19 -3.05 -0.38 0.00 2.57 0.00 0.00 54.79 54.12 3iha n ASP 308 Cb 0.49 -1.40 0.03 0.00 1.84 0.00 0.00 41.12 42.08 3iha n ASP 308 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3iha n GLY 309 N 2.79 -3.29 2.68 0.44 0.00 -1.26 -4.78 105.19 101.75 3iha n GLY 309 Ca 0.26 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3iha n GLY 309 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iha n ASP 310 N 2.24 -2.42 -4.94 1.61 4.64 -1.26 -5.14 116.55 111.29 3iha n ASP 310 Ca 0.06 -3.30 -0.24 0.00 -1.38 0.00 0.00 54.79 49.93 3iha n ASP 310 Cb 0.50 1.54 -0.01 0.00 -1.04 0.00 0.00 41.12 42.11 3iha n ASP 310 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3iha s SER 311 N -1.60 6.21 0.25 1.67 0.15 -1.26 -5.00 113.70 114.13 3iha s SER 311 Ca 0.31 0.47 0.11 0.00 0.70 0.00 0.00 55.95 57.55 3iha s SER 311 Cb 0.24 -1.96 0.25 0.00 -1.71 0.00 0.00 66.02 62.83 3iha s SER 311 CO -0.20 -0.40 1.54 0.25 1.20 0.00 0.00 173.24 175.63 3iha h LEU 312 N 0.63 0.00 0.00 3.45 5.85 -1.93 -3.48 115.31 119.83 3iha h LEU 312 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3iha h LEU 312 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3iha h LEU 312 CO 0.61 0.66 0.00 0.61 -0.34 0.00 0.00 178.44 179.97 3iha n GLY 313 N 0.59 1.81 0.27 3.75 0.00 -1.26 -2.03 105.19 108.32 3iha n GLY 313 Ca -0.00 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.76 3iha n GLY 313 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iha h GLY 314 N 0.00 0.00 0.29 -0.02 0.00 -1.69 -3.03 103.07 98.63 3iha h GLY 314 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iha h GLY 314 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 3iha n THR 315 N -3.54 0.00 0.17 4.70 -1.04 -0.86 -0.07 114.28 113.64 3iha n THR 315 Ca -0.02 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.05 3iha n THR 315 Cb 0.24 -0.70 0.09 0.00 -1.82 0.00 0.00 70.33 68.14 3iha n THR 315 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iha h ALA 316 N 1.02 0.79 -2.02 2.41 0.00 -1.67 -3.40 119.26 116.39 3iha h ALA 316 Ca 0.00 -0.29 -0.70 0.00 0.00 0.00 0.00 54.91 53.91 3iha h ALA 316 Cb 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.54 3iha h ALA 316 CO 0.00 0.40 0.03 0.08 0.00 0.00 0.00 179.25 179.77 3iha s VAL 317 N -3.07 4.90 0.05 0.00 1.01 0.90 -0.14 120.40 124.05 3iha s VAL 317 Ca 0.05 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3iha s VAL 317 Cb 0.07 -4.38 -0.18 0.00 0.00 0.00 0.00 36.38 31.90 3iha s VAL 317 CO 0.72 -0.94 1.44 -0.09 0.00 0.00 0.00 175.10 176.23 3iha h ARG 318 N 9.06 -0.78 -2.85 2.72 2.43 -0.68 -3.11 114.38 121.17 3iha h ARG 318 Ca -0.29 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3iha h ARG 318 Cb 1.09 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.71 3iha h ARG 318 CO 1.03 -0.47 0.27 -0.59 -1.51 0.00 0.00 179.97 178.69 3iha s PHE 319 N -5.49 -0.41 -0.32 2.20 -0.71 -1.24 -4.64 117.98 107.38 3iha s PHE 319 Ca -0.16 0.15 0.03 0.00 -1.04 0.00 0.00 56.93 55.90 3iha s PHE 319 Cb 0.03 0.59 0.09 0.00 -1.21 0.00 0.00 43.02 42.52 3iha s PHE 319 CO 0.57 -0.89 0.04 0.08 -1.34 0.00 0.00 175.22 173.68 3iha s VAL 320 N -3.66 1.89 -0.40 -2.49 1.01 -1.26 -2.31 120.40 113.18 3iha s VAL 320 Ca 0.04 -1.96 -0.23 0.00 0.00 0.00 0.00 61.98 59.83 3iha s VAL 320 Cb -0.02 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3iha s VAL 320 CO -0.07 -0.52 0.76 -1.61 0.00 0.00 0.00 175.10 173.66 3iha s GLU 321 N 1.12 3.60 -0.53 2.72 2.02 0.01 -4.85 118.70 122.80 3iha s GLU 321 Ca 0.07 0.10 -0.18 0.00 0.02 0.00 0.00 54.97 54.99 3iha s GLU 321 Cb -0.19 -3.86 0.09 0.00 0.10 0.00 0.00 34.13 30.27 3iha s GLU 321 CO -0.11 -0.94 0.57 0.50 0.02 0.00 0.00 175.26 175.30 3iha s ARG 322 N 3.11 3.04 -0.11 1.61 6.06 -1.26 0.53 118.95 131.92 3iha s ARG 322 Ca 0.30 -1.30 -0.18 0.00 -2.50 0.00 0.00 55.73 52.04 3iha s ARG 322 Cb -0.13 -4.20 -0.27 0.00 0.06 0.00 0.00 34.95 30.41 3iha s ARG 322 CO 0.19 -1.30 0.56 0.93 -2.50 0.00 0.00 175.30 173.18 3iha h GLU 323 N 8.97 0.20 0.00 5.12 4.39 -1.94 -3.49 114.58 127.84 3iha h GLU 323 Ca -0.29 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.06 3iha h GLU 323 Cb 1.10 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3iha h GLU 323 CO 1.00 1.17 0.00 0.41 -1.16 0.00 0.00 179.01 180.43 3iha n GLY 324 N 1.69 -1.78 0.00 -3.84 0.00 -1.26 -4.95 105.19 95.05 3iha n GLY 324 Ca -0.24 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3iha n GLY 324 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iha n ASP 325 N -2.95 4.56 -4.98 1.61 5.75 -1.26 -4.13 116.55 115.15 3iha n ASP 325 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 3iha n ASP 325 Cb 0.00 0.81 0.01 0.00 -1.03 0.00 0.00 41.12 40.91 3iha n ASP 325 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iha s ARG 326 N -1.84 2.67 -0.03 0.11 1.70 -1.26 -0.35 118.95 119.94 3iha s ARG 326 Ca 0.00 -1.39 -0.01 0.00 -0.47 0.00 0.00 55.73 53.86 3iha s ARG 326 Cb 0.00 -2.64 0.03 0.00 -0.57 0.00 0.00 34.95 31.76 3iha s ARG 326 CO 0.00 -0.36 0.07 0.08 -1.08 0.00 0.00 175.30 174.02 3iha s VAL 327 N -2.44 -0.04 -0.30 4.99 1.01 0.12 -3.13 120.40 120.62 3iha s VAL 327 Ca 0.54 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 3iha s VAL 327 Cb -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3iha s VAL 327 CO 0.32 0.06 0.19 -0.36 0.00 0.00 0.00 175.10 175.32 3iha s PHE 328 N 0.82 3.21 -0.29 5.22 0.40 0.19 -0.62 117.98 126.91 3iha s PHE 328 Ca -0.07 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 3iha s PHE 328 Cb -0.09 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 41.07 3iha s PHE 328 CO -0.03 -0.27 0.01 -1.17 0.70 0.00 0.00 175.22 174.47 3iha s LEU 329 N 1.72 3.71 -0.13 -0.37 2.96 0.53 -0.81 118.68 126.30 3iha s LEU 329 Ca 0.06 -1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 52.94 3iha s LEU 329 Cb -0.16 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3iha s LEU 329 CO 0.10 -0.21 0.01 -1.00 -1.32 0.00 0.00 176.35 173.93 3iha s HIS 330 N 1.35 3.16 0.35 5.38 3.76 -0.98 0.25 115.29 128.57 3iha s HIS 330 Ca -0.01 0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.02 3iha s HIS 330 Cb -0.18 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 3iha s HIS 330 CO -0.01 0.26 0.13 -0.51 -0.85 0.00 0.00 174.74 173.77 3iha s LEU 331 N -0.24 3.21 0.04 0.89 1.43 -0.60 -0.04 118.68 123.37 3iha s LEU 331 Ca 0.06 -0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 52.05 3iha s LEU 331 Cb -0.12 -1.66 0.09 0.00 0.03 0.00 0.00 46.19 44.53 3iha s LEU 331 CO 0.02 -0.32 0.85 0.00 0.23 0.00 0.00 176.35 177.13 3iha s GLN 332 N -3.84 0.94 0.98 1.70 -2.07 0.81 -3.51 119.66 114.67 3iha s GLN 332 Ca 0.38 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.55 3iha s GLN 332 Cb -0.02 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 3iha s GLN 332 CO 0.22 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 3iha n GLY 333 N -0.29 -1.80 3.56 2.60 0.00 -0.98 -4.43 105.19 103.86 3iha n GLY 333 Ca -0.10 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 3iha n GLY 333 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iha s VAL 334 N 0.00 5.18 -0.41 1.61 1.01 -1.26 -0.52 120.40 126.01 3iha s VAL 334 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 3iha s VAL 334 Cb 0.00 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3iha s VAL 334 CO 0.00 0.00 0.46 -0.63 0.00 0.00 0.00 175.10 174.93 3iha s ILE 335 N 2.02 5.05 0.00 2.22 1.01 0.29 -4.72 121.20 127.07 3iha s ILE 335 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3iha s ILE 335 Cb -0.16 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3iha s ILE 335 CO 0.11 -0.41 0.00 0.54 0.00 0.00 0.00 174.94 175.18 3iha n ARG 336 N 5.68 3.39 0.11 2.79 1.74 -1.26 -2.21 116.66 126.89 3iha n ARG 336 Ca -0.06 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.14 3iha n ARG 336 Cb 0.48 0.00 0.62 0.00 -1.02 0.00 0.00 32.46 32.54 3iha n ARG 336 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3iha h PHE 337 N 0.00 0.10 0.11 -1.55 3.57 -1.95 0.40 116.94 117.62 3iha h PHE 337 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3iha h PHE 337 Cb 0.00 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3iha h PHE 337 CO 0.00 0.05 -0.07 0.78 -2.23 0.00 0.00 178.31 176.85 3iha h GLY 338 N 0.10 -0.17 0.11 2.40 0.00 -1.94 -1.73 103.07 101.85 3iha h GLY 338 Ca 0.13 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3iha h GLY 338 CO -0.01 -0.07 -0.02 -1.33 0.00 0.00 0.00 176.54 175.10 3iha h GLY 339 N -0.17 -0.06 0.08 4.60 0.00 -1.57 -3.24 103.07 102.71 3iha h GLY 339 Ca -0.01 0.02 0.20 0.00 0.00 0.00 0.00 47.33 47.54 3iha h GLY 339 CO 0.01 -0.02 0.60 0.00 0.00 0.00 0.00 176.54 177.13 3iha h ALA 340 N -0.28 1.67 -0.55 3.60 0.00 -1.05 0.19 119.26 122.84 3iha h ALA 340 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3iha h ALA 340 Cb 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3iha h ALA 340 CO 0.01 -0.09 0.29 1.49 0.00 0.00 0.00 179.25 180.96 3iha h GLU 341 N 0.73 0.55 -0.00 0.00 4.22 -1.42 -1.23 114.58 117.43 3iha h GLU 341 Ca 0.59 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.90 3iha h GLU 341 Cb 0.94 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3iha h GLU 341 CO -0.40 0.37 -0.45 0.00 -2.18 0.00 0.00 179.01 176.35 3iha h ALA 342 N 1.28 1.26 -0.17 2.92 0.00 -0.72 -2.82 119.26 121.00 3iha h ALA 342 Ca 0.24 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3iha h ALA 342 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iha h ALA 342 CO -0.15 0.56 -0.57 0.28 0.00 0.00 0.00 179.25 179.37 3iha h VAL 343 N 0.00 1.33 0.00 0.00 2.07 -0.44 -2.55 116.25 116.66 3iha h VAL 343 Ca -0.00 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 3iha h VAL 343 Cb 0.79 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3iha h VAL 343 CO 0.06 0.57 -0.04 -0.07 0.02 0.00 0.00 177.57 178.11 3iha h LEU 344 N 0.41 0.00 0.19 2.57 3.38 -1.01 -2.31 115.31 118.54 3iha h LEU 344 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3iha h LEU 344 Cb 1.12 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.90 3iha h LEU 344 CO 0.11 0.04 -1.38 0.44 0.09 0.00 0.00 178.44 177.73 3iha h ASP 345 N 0.00 0.82 0.22 -0.43 5.19 -1.28 -2.81 116.42 118.14 3iha h ASP 345 Ca -0.00 -0.83 -0.01 0.00 -0.62 0.00 0.00 57.03 55.57 3iha h ASP 345 Cb 0.52 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 3iha h ASP 345 CO 0.00 1.64 -0.13 0.00 -3.12 0.00 0.00 179.24 177.64 3iha h ALA 346 N 0.25 -0.32 -0.03 3.45 0.00 -1.07 -0.35 119.26 121.18 3iha h ALA 346 Ca -0.22 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3iha h ALA 346 Cb 2.07 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.97 3iha h ALA 346 CO 0.26 -0.69 -0.19 -0.07 0.00 0.00 0.00 179.25 178.56 3iha h LEU 347 N -0.33 -0.56 -2.16 0.00 3.38 -1.52 -1.05 115.31 113.06 3iha h LEU 347 Ca -0.02 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iha h LEU 347 Cb 0.27 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3iha h LEU 347 CO 0.03 -0.25 -0.05 0.74 0.09 0.00 0.00 178.44 179.00 3iha h THR 348 N -0.29 0.68 0.00 0.22 2.02 -1.40 -0.28 112.91 113.86 3iha h THR 348 Ca 0.07 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3iha h THR 348 Cb 0.38 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3iha h THR 348 CO -0.20 0.05 0.00 0.47 0.37 0.00 0.00 175.52 176.21 3iha n ASP 349 N -3.95 0.00 -4.27 4.18 10.43 -0.15 -3.90 116.55 118.89 3iha n ASP 349 Ca -0.03 -0.36 -0.43 0.00 2.57 0.00 0.00 54.79 56.54 3iha n ASP 349 Cb 0.14 -0.18 -0.03 0.00 1.84 0.00 0.00 41.12 42.89 3iha n ASP 349 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iha s LEU 350 N -2.37 6.20 -0.16 0.64 1.43 -0.12 -4.21 118.68 120.10 3iha s LEU 350 Ca 0.31 -3.31 -0.15 0.00 -1.03 0.00 0.00 54.13 49.95 3iha s LEU 350 Cb 0.18 -2.12 -0.17 0.00 0.03 0.00 0.00 46.19 44.11 3iha s LEU 350 CO 0.37 -0.35 1.20 0.54 0.23 0.00 0.00 176.35 178.34 3iha n ARG 351 N 3.05 0.01 0.00 1.70 1.74 -1.25 -4.99 116.66 116.92 3iha n ARG 351 Ca 0.19 -0.61 0.14 0.00 -0.77 0.00 0.00 57.85 56.80 3iha n ARG 351 Cb 0.41 -1.98 0.57 0.00 -1.02 0.00 0.00 32.46 30.45 3iha n ARG 351 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3iha n THR 352 N 5.73 0.00 0.00 0.55 -2.24 -1.26 -5.01 114.28 112.05 3iha n THR 352 Ca 0.23 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 3iha n THR 352 Cb 0.38 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3iha n THR 352 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3iha n TRP 361 N -1.35 0.00 -2.82 4.78 4.27 -1.26 -4.75 117.44 116.32 3iha n TRP 361 Ca 0.10 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.29 3iha n TRP 361 Cb 0.31 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.22 3iha n TRP 361 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 3iha s ASP 362 N 0.00 7.02 0.51 -0.67 -1.08 -1.26 -4.94 116.67 116.26 3iha s ASP 362 Ca 0.00 1.26 0.18 0.00 -0.52 0.00 0.00 52.55 53.47 3iha s ASP 362 Cb 0.00 -2.48 1.28 0.00 -1.46 0.00 0.00 42.92 40.25 3iha s ASP 362 CO 0.00 -0.45 2.12 0.00 0.52 0.00 0.00 175.17 177.36 3iha h ALA 363 N 7.32 1.85 0.00 3.66 0.00 -2.00 -1.32 119.26 128.77 3iha h ALA 363 Ca -0.28 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 3iha h ALA 363 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3iha h ALA 363 CO 0.86 0.06 -0.40 0.00 0.00 0.00 0.00 179.25 179.77 3iha h ALA 364 N 1.95 1.16 0.00 0.00 0.00 -1.98 -3.19 119.26 117.20 3iha h ALA 364 Ca -0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.27 3iha h ALA 364 Cb 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3iha h ALA 364 CO 0.01 0.50 -1.59 0.28 0.00 0.00 0.00 179.25 178.45 3iha h VAL 365 N 0.00 0.96 -2.18 0.00 2.07 -1.67 -3.40 116.25 112.02 3iha h VAL 365 Ca -0.00 -2.78 -0.59 0.00 0.82 0.00 0.00 66.70 64.15 3iha h VAL 365 Cb 0.79 2.47 -0.42 0.00 -1.52 0.00 0.00 31.29 32.62 3iha h VAL 365 CO 0.05 0.55 -0.68 -1.22 0.02 0.00 0.00 177.57 176.29 3iha n TYR 366 N -3.08 3.19 -0.27 1.57 4.02 -0.84 -4.91 117.16 116.83 3iha n TYR 366 Ca -0.14 -4.05 0.08 0.00 -0.01 0.00 0.00 57.90 53.78 3iha n TYR 366 Cb 1.03 -0.52 0.22 0.00 -0.02 0.00 0.00 39.34 40.05 3iha n TYR 366 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3iha h PRO 367 N 3.86 0.20 -0.60 -0.72 0.11 -1.78 0.29 132.00 133.35 3iha h PRO 367 Ca 0.17 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.38 3iha h PRO 367 Cb 0.66 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.64 3iha h PRO 367 CO 0.78 0.13 0.10 0.00 -0.21 0.00 0.00 178.00 178.80 3iha h ARG 368 N 0.21 0.21 -0.23 1.05 2.47 -1.91 -1.47 114.38 114.71 3iha h ARG 368 Ca 0.47 -0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 59.06 3iha h ARG 368 Cb 0.87 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 3iha h ARG 368 CO -0.61 0.14 -0.36 -1.49 0.56 0.00 0.00 179.97 178.21 3iha h TRP 369 N 0.22 0.58 -0.27 3.04 4.06 -1.35 -1.99 115.95 120.23 3iha h TRP 369 Ca 0.32 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 3iha h TRP 369 Cb 0.49 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 3iha h TRP 369 CO -0.28 0.79 0.15 0.37 -3.56 0.00 0.00 178.44 175.91 3iha h GLN 370 N 0.42 0.38 0.76 0.49 4.15 -0.62 -1.58 115.11 119.11 3iha h GLN 370 Ca 0.04 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3iha h GLN 370 Cb 0.82 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 3iha h GLN 370 CO 0.07 0.33 -0.46 0.93 -1.93 0.00 0.00 178.83 177.76 3iha h GLU 371 N 0.32 -1.11 -1.00 1.69 5.08 -1.21 -2.77 114.58 115.58 3iha h GLU 371 Ca 0.10 0.08 0.22 0.00 -1.00 0.00 0.00 59.36 58.75 3iha h GLU 371 Cb 0.06 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.46 3iha h GLU 371 CO -0.02 -0.74 0.62 0.00 -1.00 0.00 0.00 179.01 177.88 3iha h ALA 372 N -1.03 1.89 0.00 3.43 0.00 -1.31 0.19 119.26 122.44 3iha h ALA 372 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iha h ALA 372 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3iha h ALA 372 CO 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3iha h ALA 373 N 1.66 1.00 -0.59 0.00 0.00 -1.12 -3.15 119.26 117.06 3iha h ALA 373 Ca 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 3iha h ALA 373 Cb 1.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3iha h ALA 373 CO -0.36 0.00 0.27 0.00 0.00 0.00 0.00 179.25 179.16 3iha h ALA 374 N 2.05 0.76 -1.75 0.00 0.00 -0.33 -3.28 119.26 116.72 3iha h ALA 374 Ca 0.00 -0.14 -0.76 0.00 0.00 0.00 0.00 54.91 54.01 3iha h ALA 374 Cb 0.56 -0.23 -0.20 0.00 0.00 0.00 0.00 17.79 17.92 3iha h ALA 374 CO 0.00 0.34 1.26 -3.47 0.00 0.00 0.00 179.25 177.38 3iha n ASP 375 N -4.51 5.33 -0.35 0.00 -0.08 -1.19 -4.88 116.55 110.86 3iha n ASP 375 Ca 0.03 -3.03 0.06 0.00 -1.51 0.00 0.00 54.79 50.34 3iha n ASP 375 Cb 0.14 -1.50 0.13 0.00 2.34 0.00 0.00 41.12 42.23 3iha n ASP 375 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3iha n ARG 376 N 4.55 -0.09 0.03 -0.67 0.63 -1.24 -1.72 116.66 118.15 3iha n ARG 376 Ca 0.34 1.52 -0.13 0.00 -0.92 0.00 0.00 57.85 58.66 3iha n ARG 376 Cb 0.40 -2.27 -0.02 0.00 0.45 0.00 0.00 32.46 31.03 3iha n ARG 376 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3iha h ALA 377 N 1.92 0.44 0.64 5.13 0.00 -1.91 -3.10 119.26 122.39 3iha h ALA 377 Ca 0.46 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3iha h ALA 377 Cb 0.71 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3iha h ALA 377 CO -1.00 0.75 -0.43 0.00 0.00 0.00 0.00 179.25 178.57 3iha h ALA 378 N 0.76 -1.07 -0.77 0.00 0.00 -1.71 -2.18 119.26 114.30 3iha h ALA 378 Ca -0.05 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.79 3iha h ALA 378 Cb 1.42 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 3iha h ALA 378 CO 0.15 -1.12 0.51 1.25 0.00 0.00 0.00 179.25 180.04 3iha h LEU 379 N -1.02 0.46 -0.81 0.00 7.12 -1.61 -1.57 115.31 117.86 3iha h LEU 379 Ca -0.08 0.02 -0.12 0.00 0.13 0.00 0.00 57.88 57.84 3iha h LEU 379 Cb 0.84 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.88 3iha h LEU 379 CO 0.06 0.24 -0.55 -1.28 -0.13 0.00 0.00 178.44 176.78 3iha h SER 380 N 0.49 0.00 0.89 1.25 0.87 -1.40 -2.68 113.55 112.97 3iha h SER 380 Ca 0.38 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.71 3iha h SER 380 Cb 0.77 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 3iha h SER 380 CO -0.13 0.55 -1.12 0.00 -0.53 0.00 0.00 176.83 175.60 3iha h ALA 381 N 1.45 0.37 -0.00 6.23 0.00 -0.67 0.18 119.26 126.82 3iha h ALA 381 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3iha h ALA 381 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3iha h ALA 381 CO 0.07 1.26 -0.23 0.00 0.00 0.00 0.00 179.25 180.34 3iha n ALA 382 N -2.40 2.92 -0.21 0.00 0.00 -0.98 -3.84 120.51 115.99 3iha n ALA 382 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3iha n ALA 382 Cb 0.96 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3iha n ALA 382 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iha n THR 383 N -1.42 0.17 -3.03 0.00 -2.24 -1.01 -5.04 114.28 101.71 3iha n THR 383 Ca 0.07 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 3iha n THR 383 Cb 0.33 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.68 3iha n THR 383 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iha n GLY 384 N -0.09 0.19 0.41 3.38 0.00 -0.66 -4.95 105.19 103.48 3iha n GLY 384 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.83 3iha n GLY 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iha n GLY 385 N -1.26 0.27 7.00 -0.02 0.00 0.55 -3.52 105.19 108.22 3iha n GLY 385 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3iha n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iha n GLY 386 N 0.56 3.14 1.77 -0.02 0.00 -1.26 -3.20 105.19 106.17 3iha n GLY 386 Ca 0.05 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 3iha n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iha n ALA 387 N 9.99 5.11 0.08 4.61 0.00 -1.17 -4.64 120.51 134.48 3iha n ALA 387 Ca 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 53.44 49.98 3iha n ALA 387 Cb 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 3iha n ALA 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iha h VAL 388 N 1.36 1.39 0.00 0.00 2.07 -1.78 -3.18 116.25 116.11 3iha h VAL 388 Ca 0.39 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.90 3iha h VAL 388 Cb 1.49 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 3iha h VAL 388 CO 0.83 0.79 0.00 0.00 0.02 0.00 0.00 177.57 179.21 3iha n HIS 389 N -3.28 0.00 0.11 1.57 -0.00 -1.26 -1.32 115.22 111.03 3iha n HIS 389 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.54 3iha n HIS 389 Cb 0.89 -0.21 -0.13 0.00 -0.00 0.00 0.00 29.99 30.54 3iha n HIS 389 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3iha h GLU 390 N 0.00 0.32 -1.00 -1.40 5.08 -1.92 -3.22 114.58 112.44 3iha h GLU 390 Ca 0.00 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 57.85 3iha h GLU 390 Cb 0.03 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3iha h GLU 390 CO 0.00 1.24 0.66 0.00 -1.00 0.00 0.00 179.01 179.91 3iha h ALA 391 N 0.54 1.29 -0.65 3.43 0.00 -1.42 -1.61 119.26 120.84 3iha h ALA 391 Ca -0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3iha h ALA 391 Cb 1.96 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3iha h ALA 391 CO 0.21 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.36 3iha h ALA 392 N 1.38 0.85 0.00 0.00 0.00 -1.68 -2.11 119.26 117.70 3iha h ALA 392 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3iha h ALA 392 Cb -0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3iha h ALA 392 CO -0.08 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 179.61 3iha h ALA 393 N 1.10 1.06 -0.06 0.00 0.00 -1.35 -2.33 119.26 117.68 3iha h ALA 393 Ca 0.21 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3iha h ALA 393 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iha h ALA 393 CO -0.01 0.05 -0.51 0.00 0.00 0.00 0.00 179.25 178.78 3iha h ALA 394 N 1.96 1.04 -0.17 0.00 0.00 -0.61 -2.18 119.26 119.29 3iha h ALA 394 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3iha h ALA 394 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3iha h ALA 394 CO 0.01 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3iha n ALA 395 N -2.46 2.50 0.48 0.00 0.00 -0.88 -3.46 120.51 116.70 3iha n ALA 395 Ca -0.02 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.15 3iha n ALA 395 Cb 0.54 -1.07 0.15 0.00 0.00 0.00 0.00 19.45 19.08 3iha n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iha h ALA 396 N 3.65 0.61 -0.79 0.00 0.00 -1.36 -3.29 119.26 118.07 3iha h ALA 396 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 3iha h ALA 396 Cb 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.86 3iha h ALA 396 CO 0.00 0.00 0.54 0.54 0.00 0.00 0.00 179.25 180.33 3iha n ARG 397 N -2.26 2.02 -0.09 0.00 1.74 -1.22 -5.01 116.66 111.84 3iha n ARG 397 Ca 0.03 -2.40 -0.02 0.00 -0.77 0.00 0.00 57.85 54.69 3iha n ARG 397 Cb 0.46 -1.94 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 3iha n ARG 397 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iha n ASP 398 N -0.77 0.53 0.00 0.55 4.64 -1.24 -4.38 116.55 115.87 3iha n ASP 398 Ca 0.48 -1.74 0.00 0.00 -1.38 0.00 0.00 54.79 52.15 3iha n ASP 398 Cb 1.36 -0.28 0.00 0.00 -1.04 0.00 0.00 41.12 41.16 3iha n ASP 398 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3iha n ASP 401 N 3.62 0.00 -1.21 1.67 9.92 -1.26 -4.76 116.55 124.53 3iha n ASP 401 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 3iha n ASP 401 Cb 0.06 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 3iha n ASP 401 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iha n GLY 402 N -0.10 0.97 3.78 0.44 0.00 -1.26 -5.06 105.19 103.97 3iha n GLY 402 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 3iha n GLY 402 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iha s PRO 403 N 1.17 4.39 0.25 1.61 0.04 -1.26 -4.90 135.00 136.30 3iha s PRO 403 Ca 0.00 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 3iha s PRO 403 Cb 0.00 -2.68 -0.12 0.00 0.04 0.00 0.00 34.50 31.74 3iha s PRO 403 CO 0.00 0.08 1.67 0.42 0.04 0.00 0.00 177.00 179.22 3iha s ILE 404 N -1.64 2.01 0.00 0.56 1.01 -1.26 -4.80 121.20 117.09 3iha s ILE 404 Ca 0.54 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3iha s ILE 404 Cb -0.20 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3iha s ILE 404 CO 0.26 0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.74 3iha n ARG 405 N 3.16 3.62 -3.78 2.79 1.74 0.53 -4.97 116.66 119.74 3iha n ARG 405 Ca 0.12 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 3iha n ARG 405 Cb 0.36 -0.50 -0.11 0.00 -1.02 0.00 0.00 32.46 31.19 3iha n ARG 405 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3iha s THR 406 N -0.86 0.01 -0.07 0.55 2.01 -1.24 -2.31 115.64 113.73 3iha s THR 406 Ca 0.00 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3iha s THR 406 Cb 0.00 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.11 3iha s THR 406 CO 0.00 -0.03 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.13 3iha s VAL 407 N -0.02 0.87 -0.27 3.82 1.01 -0.88 0.14 120.40 125.07 3iha s VAL 407 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3iha s VAL 407 Cb -0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3iha s VAL 407 CO 0.01 0.31 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3iha s VAL 408 N 1.08 4.41 -0.58 2.92 1.01 0.21 0.05 120.40 129.49 3iha s VAL 408 Ca -0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 3iha s VAL 408 Cb -0.14 -3.12 0.10 0.00 0.00 0.00 0.00 36.38 33.22 3iha s VAL 408 CO -0.01 0.26 0.68 -0.22 0.00 0.00 0.00 175.10 175.81 3iha s LEU 409 N 1.61 5.45 -0.21 3.92 2.96 0.37 -0.35 118.68 132.44 3iha s LEU 409 Ca 0.06 -1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 3iha s LEU 409 Cb -0.16 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 3iha s LEU 409 CO 0.05 -1.07 0.48 0.21 -1.32 0.00 0.00 176.35 174.69 3iha s ASN 410 N 3.57 6.51 -0.30 3.68 3.84 0.14 0.92 114.94 133.30 3iha s ASN 410 Ca 0.11 0.61 0.07 0.00 0.21 0.00 0.00 52.86 53.85 3iha s ASN 410 Cb -0.25 -2.27 0.46 0.00 -0.55 0.00 0.00 41.25 38.64 3iha s ASN 410 CO 0.06 -0.17 1.22 0.18 -2.79 0.00 0.00 177.10 175.61 3iha n LEU 411 N 4.80 4.97 0.11 3.21 4.77 -0.29 -1.56 117.00 133.02 3iha n LEU 411 Ca -0.06 -4.71 -0.17 0.00 -0.03 0.00 0.00 56.01 51.04 3iha n LEU 411 Cb 0.50 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 3iha n LEU 411 CO 0.41 2.07 -0.05 0.00 -1.33 0.00 0.00 177.39 178.49 3iha h ALA 412 N 2.14 0.09 -0.00 -1.18 0.00 -1.81 -3.29 119.26 115.21 3iha h ALA 412 Ca 0.37 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3iha h ALA 412 Cb 1.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3iha h ALA 412 CO 0.77 0.91 -0.10 0.54 0.00 0.00 0.00 179.25 181.37 3iha n ARG 413 N -3.59 0.76 -2.81 0.00 5.12 -1.24 -4.86 116.66 110.04 3iha n ARG 413 Ca -0.10 -0.26 -0.41 0.00 -1.93 0.00 0.00 57.85 55.15 3iha n ARG 413 Cb 1.01 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.78 3iha n ARG 413 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3iha s VAL 414 N -2.42 4.83 -0.09 1.55 1.01 -1.23 -2.31 120.40 121.74 3iha s VAL 414 Ca 0.30 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 64.11 3iha s VAL 414 Cb 0.20 -4.24 -0.27 0.00 0.00 0.00 0.00 36.38 32.06 3iha s VAL 414 CO 0.46 0.22 0.50 0.44 0.00 0.00 0.00 175.10 176.73 3iha h ASP 415 N 6.48 0.45 -4.81 3.32 3.32 -1.13 -3.46 116.42 120.60 3iha h ASP 415 Ca -0.42 -0.87 0.01 0.00 0.02 0.00 0.00 57.03 55.77 3iha h ASP 415 Cb 1.21 -0.15 -0.16 0.00 0.22 0.00 0.00 39.33 40.45 3iha h ASP 415 CO 0.74 1.77 0.31 -0.13 -1.72 0.00 0.00 179.24 180.21 3iha s ARG 416 N -2.57 1.03 -0.08 3.56 0.52 -1.18 -4.99 118.95 115.24 3iha s ARG 416 Ca -0.19 -0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 54.83 3iha s ARG 416 Cb 0.06 0.48 0.04 0.00 0.52 0.00 0.00 34.95 36.05 3iha s ARG 416 CO 0.80 -0.40 0.18 0.42 0.02 0.00 0.00 175.30 176.32 3iha s ILE 417 N -2.58 -0.05 0.81 1.52 1.01 -1.26 0.10 121.20 120.75 3iha s ILE 417 Ca -0.02 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 3iha s ILE 417 Cb -0.01 -0.29 0.12 0.00 0.01 0.00 0.00 42.46 42.30 3iha s ILE 417 CO -0.04 0.07 1.14 1.51 0.00 0.00 0.00 174.94 177.62 3iha s ASP 418 N 1.23 4.09 0.53 3.58 3.84 -0.94 -4.86 116.67 124.14 3iha s ASP 418 Ca -0.09 0.27 0.22 0.00 -0.00 0.00 0.00 52.55 52.95 3iha s ASP 418 Cb -0.11 -0.63 1.43 0.00 -1.38 0.00 0.00 42.92 42.22 3iha s ASP 418 CO -0.07 -2.08 2.13 0.44 -0.00 0.00 0.00 175.17 175.60 3iha h ASP 419 N -1.00 0.00 0.10 2.11 3.32 -2.00 -2.00 116.42 116.94 3iha h ASP 419 Ca -0.43 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.46 3iha h ASP 419 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3iha h ASP 419 CO 0.49 0.07 -0.56 0.58 -1.72 0.00 0.00 179.24 178.09 3iha h VAL 420 N 0.00 1.33 -0.11 -1.35 2.07 -1.92 -2.50 116.25 113.77 3iha h VAL 420 Ca -0.00 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.49 3iha h VAL 420 Cb 0.14 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3iha h VAL 420 CO 0.01 0.56 -0.75 1.23 0.02 0.00 0.00 177.57 178.65 3iha h GLY 421 N 1.14 0.63 0.95 2.17 0.00 -1.61 -2.38 103.07 103.97 3iha h GLY 421 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 3iha h GLY 421 CO 0.10 0.79 -0.13 3.21 0.00 0.00 0.00 176.54 180.51 3iha h ARG 422 N 0.39 -0.35 -0.80 4.80 3.08 -1.37 0.26 114.38 120.40 3iha h ARG 422 Ca -0.04 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3iha h ARG 422 Cb 1.34 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.41 3iha h ARG 422 CO 0.14 -0.19 0.48 0.00 -1.07 0.00 0.00 179.97 179.33 3iha h ARG 423 N -0.42 0.86 0.31 0.04 3.08 -1.50 0.29 114.38 117.04 3iha h ARG 423 Ca -0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3iha h ARG 423 Cb 0.32 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3iha h ARG 423 CO 0.06 0.57 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.31 3iha h LEU 424 N 0.89 -0.36 -0.26 3.04 3.38 -1.17 -1.81 115.31 119.02 3iha h LEU 424 Ca 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3iha h LEU 424 Cb 0.17 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3iha h LEU 424 CO -0.17 -0.08 0.09 0.40 0.09 0.00 0.00 178.44 178.77 3iha h ILE 425 N -0.64 1.18 -0.52 1.22 1.08 -0.82 -1.31 117.51 117.69 3iha h ILE 425 Ca -0.04 -0.57 0.10 0.00 -0.39 0.00 0.00 64.86 63.95 3iha h ILE 425 Cb 0.46 1.08 -0.11 0.00 -3.07 0.00 0.00 36.82 35.18 3iha h ILE 425 CO 0.07 0.19 -0.30 0.00 -0.69 0.00 0.00 178.15 177.42 3iha h ALA 426 N 0.93 -0.02 -0.88 1.87 0.00 -0.43 0.38 119.26 121.11 3iha h ALA 426 Ca 0.08 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3iha h ALA 426 Cb 0.21 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3iha h ALA 426 CO -0.00 -0.65 0.56 1.49 0.00 0.00 0.00 179.25 180.65 3iha h GLU 427 N -0.17 1.06 -0.53 0.00 4.57 -1.15 0.77 114.58 119.12 3iha h GLU 427 Ca 0.22 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 3iha h GLU 427 Cb 0.53 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 3iha h GLU 427 CO -0.62 0.70 0.30 0.78 -1.18 0.00 0.00 179.01 178.99 3iha h GLY 428 N 1.09 0.75 0.92 1.92 0.00 0.72 -0.39 103.07 108.09 3iha h GLY 428 Ca 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3iha h GLY 428 CO -0.12 0.16 0.08 -2.08 0.00 0.00 0.00 176.54 174.59 3iha h VAL 429 N 0.59 1.12 -0.68 4.60 2.07 0.56 -2.57 116.25 121.93 3iha h VAL 429 Ca 0.22 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3iha h VAL 429 Cb 0.07 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3iha h VAL 429 CO -0.12 0.11 0.45 -0.09 0.02 0.00 0.00 177.57 177.93 3iha h ARG 430 N 0.15 0.59 0.00 1.57 2.43 -0.40 -2.40 114.38 116.32 3iha h ARG 430 Ca 0.06 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3iha h ARG 430 Cb 0.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3iha h ARG 430 CO -0.01 0.39 -0.23 0.00 -1.51 0.00 0.00 179.97 178.61 3iha h ARG 431 N 0.61 0.00 0.00 0.20 3.08 -0.70 -3.14 114.38 114.43 3iha h ARG 431 Ca 0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3iha h ARG 431 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3iha h ARG 431 CO -0.10 0.23 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.89 3iha h LEU 432 N 0.00 0.06 -0.85 3.04 3.38 -1.11 -3.27 115.31 116.57 3iha h LEU 432 Ca -0.00 -0.80 0.14 0.00 0.09 0.00 0.00 57.88 57.31 3iha h LEU 432 Cb 1.01 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 3iha h LEU 432 CO 0.03 0.85 0.46 1.56 0.09 0.00 0.00 178.44 181.43 3iha h GLN 433 N -0.72 0.66 -0.02 1.13 4.20 -1.62 1.24 115.11 119.98 3iha h GLN 433 Ca -0.01 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3iha h GLN 433 Cb 0.86 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3iha h GLN 433 CO 0.01 0.44 0.36 0.00 -0.67 0.00 0.00 178.83 178.97 3iha h ALA 434 N 1.54 1.40 -0.58 3.87 0.00 -1.59 0.17 119.26 124.06 3iha h ALA 434 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3iha h ALA 434 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3iha h ALA 434 CO -0.33 -0.37 0.00 -0.25 0.00 0.00 0.00 179.25 178.29 3iha n ASP 435 N -2.91 4.38 -2.52 0.00 8.00 0.43 -4.94 116.55 118.99 3iha n ASP 435 Ca -0.01 -2.42 -0.10 0.00 0.71 0.00 0.00 54.79 52.96 3iha n ASP 435 Cb 0.42 -0.56 0.05 0.00 -0.02 0.00 0.00 41.12 41.01 3iha n ASP 435 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iha n GLY 436 N 1.04 -0.14 2.87 0.44 0.00 0.58 -5.03 105.19 104.95 3iha n GLY 436 Ca 0.23 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 3iha n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iha s VAL 437 N -3.23 0.42 0.50 1.61 1.01 -1.23 -4.95 120.40 114.54 3iha s VAL 437 Ca 0.08 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 3iha s VAL 437 Cb -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 36.38 35.83 3iha s VAL 437 CO 0.45 0.20 1.10 -0.60 0.00 0.00 0.00 175.10 176.25 3iha s ARG 438 N 0.96 3.62 -0.23 2.72 3.52 -0.98 -3.82 118.95 124.75 3iha s ARG 438 Ca -0.10 1.55 -0.03 0.00 -0.13 0.00 0.00 55.73 57.02 3iha s ARG 438 Cb -0.14 -2.14 0.08 0.00 -1.56 0.00 0.00 34.95 31.19 3iha s ARG 438 CO -0.01 -0.62 0.09 0.08 -0.81 0.00 0.00 175.30 174.03 3iha s VAL 439 N -1.79 0.25 -0.37 7.11 1.01 -1.26 -2.08 120.40 123.28 3iha s VAL 439 Ca 0.68 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 3iha s VAL 439 Cb -0.22 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 3iha s VAL 439 CO 0.26 -0.44 0.26 -0.70 0.00 0.00 0.00 175.10 174.48 3iha s GLU 440 N 1.96 3.26 -0.36 2.72 2.12 0.11 -4.97 118.70 123.55 3iha s GLU 440 Ca 0.04 -0.81 -0.17 0.00 0.36 0.00 0.00 54.97 54.40 3iha s GLU 440 Cb -0.17 -3.86 -0.00 0.00 0.26 0.00 0.00 34.13 30.36 3iha s GLU 440 CO -0.19 -0.57 0.43 0.08 -0.54 0.00 0.00 175.26 174.48 3iha s VAL 441 N 1.69 5.10 -1.17 3.70 1.01 -1.26 0.14 120.40 129.61 3iha s VAL 441 Ca 0.05 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 3iha s VAL 441 Cb -0.18 -3.91 0.23 0.00 0.00 0.00 0.00 36.38 32.52 3iha s VAL 441 CO 0.10 -0.18 1.34 -0.62 0.00 0.00 0.00 175.10 175.73 3iha n GLU 442 N 5.55 3.55 -3.59 2.72 1.02 0.26 -4.91 120.64 125.25 3iha n GLU 442 Ca -0.07 -4.14 -0.38 0.00 -0.02 0.00 0.00 57.16 52.54 3iha n GLU 442 Cb 0.49 -2.78 -0.06 0.00 -0.02 0.00 0.00 31.44 29.07 3iha n GLU 442 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3iha s ASP 443 N 1.66 6.08 0.53 1.62 2.15 -1.26 -1.13 116.67 126.31 3iha s ASP 443 Ca 0.37 -3.43 0.35 0.00 0.43 0.00 0.00 52.55 50.26 3iha s ASP 443 Cb -0.04 -1.96 1.51 0.00 -0.30 0.00 0.00 42.92 42.12 3iha s ASP 443 CO -0.02 -0.27 1.81 1.55 -0.17 0.00 0.00 175.17 178.06 3iha h PRO 444 N 6.47 0.04 0.00 4.34 0.13 -1.91 -3.42 132.00 137.64 3iha h PRO 444 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3iha h PRO 444 Cb 0.87 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3iha h PRO 444 CO 0.83 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 179.02 3iha n GLU 445 N -4.23 0.00 0.01 0.86 1.02 -1.26 -5.10 120.64 111.94 3iha n GLU 445 Ca 0.25 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 3iha n GLU 445 Cb 1.19 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.60 3iha n GLU 445 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3iha n ARG 446 N 0.00 0.12 0.00 3.49 5.12 -1.26 -5.07 116.66 119.06 3iha n ARG 446 Ca 0.00 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3iha n ARG 446 Cb 0.00 -0.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 3iha n ARG 446 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3iha n ILE 447 N -3.67 0.00 -0.81 0.55 3.06 -1.26 -5.11 119.36 112.12 3iha n ILE 447 Ca -0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 3iha n ILE 447 Cb 0.16 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.34 3iha n ILE 447 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23