#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 3.71 0.22 3.17 1.70 -1.26 -5.06 118.95 121.43 3iha s ARG 2 Ca 0.00 -0.12 -0.31 0.00 -0.47 0.00 0.00 55.73 54.83 3iha s ARG 2 Cb 0.00 -3.27 -0.10 0.00 -0.57 0.00 0.00 34.95 31.01 3iha s ARG 2 CO 0.00 0.62 1.51 -1.58 -1.08 0.00 0.00 175.30 174.77 3iha s HIS 3 N -0.58 3.02 0.15 5.89 5.65 -1.26 -4.93 115.29 123.22 3iha s HIS 3 Ca 0.14 0.84 0.31 0.00 0.25 0.00 0.00 55.06 56.59 3iha s HIS 3 Cb -0.12 -3.89 1.27 0.00 -1.18 0.00 0.00 32.58 28.67 3iha s HIS 3 CO 0.03 -3.06 1.96 -1.00 -0.65 0.00 0.00 174.74 172.01 3iha h PRO 4 N 5.78 0.00 0.10 2.88 0.13 -2.00 -3.33 132.00 135.55 3iha h PRO 4 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3iha h PRO 4 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3iha h PRO 4 CO 0.84 0.07 -0.05 0.82 -0.23 0.00 0.00 178.00 179.45 3iha h ILE 5 N 0.00 0.97 -0.36 -3.56 1.08 -1.99 -1.03 117.51 112.62 3iha h ILE 5 Ca -0.00 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 3iha h ILE 5 Cb 0.55 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 3iha h ILE 5 CO 0.01 0.06 0.24 -0.65 -0.69 0.00 0.00 178.15 177.12 3iha h PRO 6 N -0.24 0.43 -0.56 2.37 0.11 -1.86 0.12 132.00 132.36 3iha h PRO 6 Ca -0.01 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 3iha h PRO 6 Cb 0.20 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3iha h PRO 6 CO 0.02 0.28 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.61 3iha h ASP 7 N 0.44 1.01 -0.71 -2.05 3.32 -1.66 0.09 116.42 116.86 3iha h ASP 7 Ca 0.14 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 3iha h ASP 7 Cb 0.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3iha h ASP 7 CO -0.03 1.10 0.17 0.22 -1.72 0.00 0.00 179.24 178.98 3iha h TYR 8 N 0.91 1.20 -0.70 4.55 3.20 0.27 -1.34 116.97 125.05 3iha h TYR 8 Ca 0.15 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3iha h TYR 8 Cb 0.60 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3iha h TYR 8 CO 0.04 0.97 0.39 -0.07 -1.64 0.00 0.00 178.16 177.86 3iha h LEU 9 N 1.08 0.87 -0.66 2.82 3.38 -0.35 -1.44 115.31 121.01 3iha h LEU 9 Ca 0.22 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3iha h LEU 9 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3iha h LEU 9 CO 0.00 0.71 0.11 0.00 0.09 0.00 0.00 178.44 179.35 3iha h ALA 10 N 1.20 0.88 -0.65 1.53 0.00 -0.59 -1.70 119.26 119.92 3iha h ALA 10 Ca 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3iha h ALA 10 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3iha h ALA 10 CO -0.04 0.64 0.33 0.77 0.00 0.00 0.00 179.25 180.95 3iha h SER 11 N 1.01 0.84 -0.71 0.00 0.02 -0.81 -2.15 113.55 111.76 3iha h SER 11 Ca 0.20 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3iha h SER 11 Cb 0.44 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3iha h SER 11 CO 0.01 0.72 0.28 0.25 -1.14 0.00 0.00 176.83 176.95 3iha h LEU 12 N 0.90 0.98 -0.65 5.07 5.85 -1.10 0.71 115.31 127.06 3iha h LEU 12 Ca 0.23 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3iha h LEU 12 Cb 0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3iha h LEU 12 CO -0.03 0.88 0.34 0.58 -0.34 0.00 0.00 178.44 179.87 3iha h VAL 13 N 1.01 1.21 -0.29 1.05 2.07 -1.02 -0.94 116.25 119.34 3iha h VAL 13 Ca 0.23 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 3iha h VAL 13 Cb 0.21 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3iha h VAL 13 CO -0.02 0.24 -0.28 0.74 0.02 0.00 0.00 177.57 178.27 3iha h THR 14 N 0.89 1.30 0.17 2.57 2.02 -1.10 0.12 112.91 118.88 3iha h THR 14 Ca 0.23 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 3iha h THR 14 Cb 0.07 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3iha h THR 14 CO -0.03 0.46 -0.08 -0.08 0.37 0.00 0.00 175.52 176.16 3iha h GLU 15 N 0.45 -0.22 0.00 6.66 4.81 -0.73 -3.00 114.58 122.53 3iha h GLU 15 Ca 0.05 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3iha h GLU 15 Cb 0.85 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3iha h GLU 15 CO 0.07 0.06 0.00 -0.07 -0.73 0.00 0.00 179.01 178.34 3iha h LEU 16 N -0.50 0.00 0.00 1.64 3.38 -1.27 -3.02 115.31 115.53 3iha h LEU 16 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iha h LEU 16 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iha h LEU 16 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3iha n GLY 17 N 0.93 -1.26 0.29 0.83 0.00 0.42 -3.49 105.19 102.91 3iha n GLY 17 Ca 0.04 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 1.10 -4.86 4.61 0.00 -1.39 -3.43 119.26 118.73 3iha h ALA 18 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3iha h ALA 18 Cb 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 3iha h ALA 18 CO 0.00 -0.10 -0.46 1.33 0.00 0.00 0.00 179.25 180.02 3iha n VAL 19 N -2.79 0.00 -2.70 0.00 0.24 -1.23 -5.12 118.33 106.73 3iha n VAL 19 Ca -0.02 -2.36 -0.07 0.00 -2.04 0.00 0.00 64.34 59.85 3iha n VAL 19 Cb 0.16 1.04 0.09 0.00 -1.47 0.00 0.00 33.84 33.66 3iha n VAL 19 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3iha n ASN 20 N -1.64 -1.93 -4.61 -1.34 5.15 -1.26 -5.04 115.26 104.59 3iha n ASN 20 Ca 0.02 -2.89 -0.29 0.00 -0.60 0.00 0.00 54.58 50.82 3iha n ASN 20 Cb 0.59 1.49 0.19 0.00 -0.53 0.00 0.00 39.78 41.53 3iha n ASN 20 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3iha s PRO 21 N 0.19 0.25 2.12 1.20 0.04 -1.26 -4.84 135.00 132.70 3iha s PRO 21 Ca 0.20 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3iha s PRO 21 Cb 0.30 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 33.16 3iha s PRO 21 CO -0.08 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.37 3iha n GLY 22 N 0.07 -0.77 3.68 0.56 0.00 -1.26 -4.66 105.19 102.81 3iha n GLY 22 Ca 0.07 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 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 1.10 0.77 1.61 -1.05 -0.53 -4.84 118.70 115.76 3iha s GLU 23 Ca 0.00 -0.56 -0.11 0.00 -0.15 0.00 0.00 54.97 54.15 3iha s GLU 23 Cb 0.00 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.15 3iha s GLU 23 CO 0.00 -0.50 1.08 0.95 0.95 0.00 0.00 175.26 177.75 3iha s THR 24 N -3.25 3.42 -0.18 1.83 -4.23 -1.26 0.18 115.64 112.14 3iha s THR 24 Ca 0.10 0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 3iha s THR 24 Cb -0.01 -3.05 -0.07 0.00 1.34 0.00 0.00 72.50 70.71 3iha s THR 24 CO -0.01 -0.60 2.16 0.00 -0.54 0.00 0.00 174.62 175.62 3iha n ALA 25 N -3.45 1.60 1.30 3.99 0.00 -1.26 -4.81 120.51 117.89 3iha n ALA 25 Ca 0.08 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.54 3iha n ALA 25 Cb 0.54 -2.81 0.50 0.00 0.00 0.00 0.00 19.45 17.68 3iha n ALA 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iha n GLN 26 N 8.33 0.66 -0.81 0.00 1.13 -1.26 -2.96 117.38 122.48 3iha n GLN 26 Ca 0.29 -0.30 -0.09 0.00 -1.94 0.00 0.00 57.00 54.96 3iha n GLN 26 Cb 0.40 -1.49 0.19 0.00 0.11 0.00 0.00 30.24 29.45 3iha n GLN 26 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 3iha n TYR 27 N -0.90 1.98 -3.63 1.08 0.18 -1.26 -4.75 117.16 109.85 3iha n TYR 27 Ca 0.13 -1.13 -0.03 0.00 1.88 0.00 0.00 57.90 58.74 3iha n TYR 27 Cb 0.31 -0.63 -0.05 0.00 -0.38 0.00 0.00 39.34 38.59 3iha n TYR 27 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3iha s ILE 28 N -2.36 -0.63 0.24 -3.48 1.01 -1.26 -5.01 121.20 109.71 3iha s ILE 28 Ca 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 3iha s ILE 28 Cb 0.33 -1.00 0.21 0.00 0.01 0.00 0.00 42.46 42.01 3iha s ILE 28 CO 0.09 0.00 1.84 1.55 0.00 0.00 0.00 174.94 178.42 3iha h PRO 29 N 7.60 0.87 0.00 2.79 0.13 -1.88 -1.71 132.00 139.81 3iha h PRO 29 Ca -0.22 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 3iha h PRO 29 Cb 1.14 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3iha h PRO 29 CO 0.12 0.58 -0.15 -0.24 -0.23 0.00 0.00 178.00 178.08 3iha h VAL 30 N 0.90 0.77 0.00 1.56 3.04 -1.94 -2.53 116.25 118.05 3iha h VAL 30 Ca 0.37 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3iha h VAL 30 Cb 0.22 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3iha h VAL 30 CO -0.19 0.15 -1.22 0.18 -1.01 0.00 0.00 177.57 175.47 3iha n LEU 31 N -3.86 0.55 0.01 3.16 4.77 -1.00 -4.10 117.00 116.52 3iha n LEU 31 Ca -0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.79 3iha n LEU 31 Cb 0.25 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 3iha n LEU 31 CO 0.32 0.01 0.23 0.00 -1.33 0.00 0.00 177.39 176.63 3iha h ALA 32 N 2.38 0.05 -0.04 -1.18 0.00 -0.91 -3.27 119.26 116.29 3iha h ALA 32 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3iha h ALA 32 Cb 0.81 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3iha h ALA 32 CO 0.00 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.98 3iha n GLU 33 N -4.22 1.19 -2.91 0.00 -0.58 -1.02 -4.86 120.64 108.24 3iha n GLU 33 Ca -0.11 -0.18 -0.37 0.00 -0.42 0.00 0.00 57.16 56.08 3iha n GLU 33 Cb 0.69 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 30.14 3iha n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iha s ALA 34 N -1.43 3.29 0.04 0.62 0.00 -1.23 -4.99 121.76 118.06 3iha s ALA 34 Ca 0.03 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 3iha s ALA 34 Cb 0.02 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.03 3iha s ALA 34 CO 0.01 0.24 1.64 0.34 0.00 0.00 0.00 175.76 177.99 3iha s ASP 35 N -1.64 6.63 0.00 0.00 2.15 -1.26 -4.87 116.67 117.68 3iha s ASP 35 Ca 0.47 2.42 0.28 0.00 0.43 0.00 0.00 52.55 56.15 3iha s ASP 35 Cb -0.18 -2.56 1.09 0.00 -0.30 0.00 0.00 42.92 40.97 3iha s ASP 35 CO 0.22 -0.88 1.76 -0.81 -0.17 0.00 0.00 175.17 175.30 3iha n PRO 36 N 5.85 1.09 -1.05 4.34 -0.04 -1.26 -4.31 135.00 139.63 3iha n PRO 36 Ca 0.16 -0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 62.86 3iha n PRO 36 Cb 0.41 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.48 6.82 -4.34 3.54 4.64 -1.26 -4.71 116.55 120.75 3iha n ASP 37 Ca 0.16 -3.28 -0.20 0.00 -1.38 0.00 0.00 54.79 50.09 3iha n ASP 37 Cb 0.31 -1.05 -0.11 0.00 -1.04 0.00 0.00 41.12 39.24 3iha n ASP 37 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3iha s ARG 38 N -2.38 1.30 -0.30 -0.67 0.52 -1.26 -5.10 118.95 111.05 3iha s ARG 38 Ca 0.42 -1.48 -0.18 0.00 -0.52 0.00 0.00 55.73 53.97 3iha s ARG 38 Cb 0.32 -1.25 0.18 0.00 0.52 0.00 0.00 34.95 34.72 3iha s ARG 38 CO -0.02 0.24 1.22 0.12 0.02 0.00 0.00 175.30 176.88 3iha s PHE 39 N -2.39 -0.01 0.48 -0.53 5.36 -1.25 -4.52 117.98 115.12 3iha s PHE 39 Ca 0.18 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.17 3iha s PHE 39 Cb -0.04 0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 3iha s PHE 39 CO 0.07 -0.01 0.06 0.41 -1.46 0.00 0.00 175.22 174.29 3iha n GLY 40 N 5.18 3.47 3.64 13.12 0.00 -0.85 -2.15 105.19 127.60 3iha n GLY 40 Ca 0.04 -2.35 -0.05 0.00 0.00 0.00 0.00 46.02 43.65 3iha n GLY 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iha s ILE 41 N -2.70 0.00 0.11 -0.61 2.07 -0.95 -2.28 121.20 116.84 3iha s ILE 41 Ca 0.04 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.32 3iha s ILE 41 Cb -0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3iha s ILE 41 CO 0.03 0.00 -0.10 0.00 -1.91 0.00 0.00 174.94 172.96 3iha s ALA 42 N 0.41 1.20 -0.07 1.50 0.00 0.08 -2.23 121.76 122.65 3iha s ALA 42 Ca 0.02 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 3iha s ALA 42 Cb -0.05 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3iha s ALA 42 CO -0.11 -0.05 0.00 -0.51 0.00 0.00 0.00 175.76 175.09 3iha s LEU 43 N -2.63 0.62 -0.12 0.00 1.43 -0.21 -2.10 118.68 115.68 3iha s LEU 43 Ca 0.08 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3iha s LEU 43 Cb -0.01 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 3iha s LEU 43 CO 0.00 -0.19 -0.08 0.00 0.23 0.00 0.00 176.35 176.31 3iha s ALA 44 N 1.89 2.85 0.33 4.21 0.00 -0.23 -1.02 121.76 129.79 3iha s ALA 44 Ca 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3iha s ALA 44 Cb -0.12 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 3iha s ALA 44 CO -0.05 0.35 0.49 0.95 0.00 0.00 0.00 175.76 177.50 3iha s THR 45 N -0.03 4.70 0.34 0.00 -4.23 0.24 -0.51 115.64 116.15 3iha s THR 45 Ca -0.01 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 3iha s THR 45 Cb -0.14 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 70.25 3iha s THR 45 CO 0.03 -0.35 1.96 -0.65 -0.54 0.00 0.00 174.62 175.08 3iha h PRO 46 N 0.85 0.75 -0.23 3.99 0.11 -1.89 -2.93 132.00 132.65 3iha h PRO 46 Ca -0.49 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.47 3iha h PRO 46 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3iha h PRO 46 CO 0.58 0.56 -0.18 1.79 -0.21 0.00 0.00 178.00 180.55 3iha h THR 47 N 0.76 1.23 0.00 -1.15 1.35 -1.94 -3.40 112.91 109.76 3iha h THR 47 Ca 0.19 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3iha h THR 47 Cb 0.04 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3iha h THR 47 CO -0.03 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3iha n GLY 48 N -0.60 0.33 3.85 5.82 0.00 -1.11 -4.82 105.19 108.67 3iha n GLY 48 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.83 -0.14 1.61 1.81 -1.26 -4.86 118.95 119.94 3iha s ARG 49 Ca 0.00 0.30 -0.00 0.00 -1.72 0.00 0.00 55.73 54.30 3iha s ARG 49 Cb 0.00 -3.14 0.03 0.00 -0.45 0.00 0.00 34.95 31.39 3iha s ARG 49 CO 0.00 0.66 -0.08 -1.17 -0.68 0.00 0.00 175.30 174.02 3iha s LEU 50 N -1.35 1.44 -0.04 2.53 2.96 -1.26 -0.59 118.68 122.36 3iha s LEU 50 Ca 0.26 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3iha s LEU 50 Cb -0.15 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3iha s LEU 50 CO 0.14 -0.13 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.04 3iha s HIS 51 N 1.64 3.09 0.25 5.38 3.76 -0.19 -4.97 115.29 124.25 3iha s HIS 51 Ca 0.04 0.12 -0.05 0.00 -0.15 0.00 0.00 55.06 55.01 3iha s HIS 51 Cb -0.13 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 3iha s HIS 51 CO -0.08 0.45 0.32 0.00 -0.85 0.00 0.00 174.74 174.57 3iha s ALA 53 N -3.91 -1.90 0.00 0.00 0.00 -0.95 -4.68 121.76 110.32 3iha s ALA 53 Ca 0.32 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3iha s ALA 53 Cb 0.03 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.29 3iha s ALA 53 CO 0.13 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3iha n GLY 54 N -0.09 0.91 2.46 0.00 0.00 -1.26 -2.24 105.19 104.97 3iha n GLY 54 Ca -0.07 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.16 5.12 -0.07 1.61 8.00 -0.91 -4.54 116.55 122.60 3iha n ASP 55 Ca 0.00 -2.31 0.14 0.00 0.71 0.00 0.00 54.79 53.33 3iha n ASP 55 Cb 0.00 -1.12 0.64 0.00 -0.02 0.00 0.00 41.12 40.62 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 3.75 2.69 -0.92 2.24 0.00 -1.24 -3.60 120.51 123.42 3iha n ALA 56 Ca 0.45 -0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.75 3iha n ALA 56 Cb 0.26 -1.38 0.19 0.00 0.00 0.00 0.00 19.45 18.52 3iha n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iha n ASP 57 N -1.09 3.10 -4.82 0.00 8.00 -1.26 -2.96 116.55 117.53 3iha n ASP 57 Ca 0.14 -2.93 -0.37 0.00 0.71 0.00 0.00 54.79 52.34 3iha n ASP 57 Cb 0.27 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 3iha n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iha s VAL 58 N -2.64 5.21 0.27 2.53 1.01 -1.24 -4.99 120.40 120.56 3iha s VAL 58 Ca 0.35 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 3iha s VAL 58 Cb 0.28 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3iha s VAL 58 CO 0.06 0.54 0.63 -1.61 0.00 0.00 0.00 175.10 174.73 3iha s GLU 59 N -0.71 3.90 0.04 2.72 2.02 -1.26 -4.26 118.70 121.15 3iha s GLU 59 Ca 0.20 0.46 -0.23 0.00 0.02 0.00 0.00 54.97 55.42 3iha s GLU 59 Cb -0.15 -2.56 0.05 0.00 0.10 0.00 0.00 34.13 31.57 3iha s GLU 59 CO 0.09 0.25 0.52 -0.59 0.02 0.00 0.00 175.26 175.55 3iha s PHE 60 N -1.88 -0.43 0.26 1.61 -0.12 -0.65 -4.96 117.98 111.81 3iha s PHE 60 Ca 0.50 0.50 -0.30 0.00 -0.05 0.00 0.00 56.93 57.58 3iha s PHE 60 Cb -0.11 0.34 -0.10 0.00 -0.63 0.00 0.00 43.02 42.52 3iha s PHE 60 CO 0.19 -0.63 1.38 0.95 -0.05 0.00 0.00 175.22 177.06 3iha s THR 61 N -2.36 2.76 -0.50 -4.49 -4.23 -1.26 -1.84 115.64 103.71 3iha s THR 61 Ca -0.06 0.67 0.26 0.00 -1.18 0.00 0.00 61.69 61.38 3iha s THR 61 Cb -0.01 -3.43 0.29 0.00 1.34 0.00 0.00 72.50 70.69 3iha s THR 61 CO -0.01 0.12 1.76 -0.29 -0.54 0.00 0.00 174.62 175.66 3iha h ILE 62 N 3.44 0.00 0.00 2.99 2.10 -0.93 -3.41 117.51 121.70 3iha h ILE 62 Ca -0.47 -0.42 0.00 0.00 1.08 0.00 0.00 64.86 65.05 3iha h ILE 62 Cb 1.22 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 3iha h ILE 62 CO 0.74 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.81 3iha n GLN 63 N -2.42 0.00 -0.15 2.19 1.13 0.04 -1.45 117.38 116.72 3iha n GLN 63 Ca 0.03 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.26 3iha n GLN 63 Cb 0.34 0.00 0.54 0.00 0.11 0.00 0.00 30.24 31.22 3iha n GLN 63 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3iha h SER 64 N 0.00 0.33 0.00 1.08 0.02 -1.88 -1.32 113.55 111.78 3iha h SER 64 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3iha h SER 64 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3iha h SER 64 CO 0.00 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 3iha n ALA 65 N -2.54 1.45 0.56 3.77 0.00 -0.53 -0.03 120.51 123.18 3iha n ALA 65 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.70 3iha n ALA 65 Cb 0.57 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.95 0.62 -0.36 0.00 3.41 -0.50 -4.41 113.62 111.43 3iha n SER 66 Ca 0.00 -0.16 0.02 0.00 -0.26 0.00 0.00 58.87 58.47 3iha n SER 66 Cb 0.00 0.72 0.17 0.00 -0.26 0.00 0.00 64.21 64.84 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 1.17 0.00 4.33 1.57 -0.65 -2.35 116.57 120.64 3iha h LYS 67 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3iha h LYS 67 Cb 0.74 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3iha h LYS 67 CO 0.00 0.77 0.00 -1.00 -0.57 0.00 0.00 179.45 178.65 3iha h PRO 68 N 1.21 0.00 0.21 3.15 0.13 -1.78 -2.32 132.00 132.60 3iha h PRO 68 Ca 0.41 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.22 3iha h PRO 68 Cb 0.09 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.26 3iha h PRO 68 CO -0.15 0.00 -1.40 0.74 -0.23 0.00 0.00 178.00 176.96 3iha h PHE 69 N 0.00 1.00 0.00 1.56 0.05 -1.71 -2.21 116.94 115.64 3iha h PHE 69 Ca 0.00 -0.70 -0.16 0.00 3.82 0.00 0.00 57.97 60.93 3iha h PHE 69 Cb 0.59 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.46 3iha h PHE 69 CO 0.00 1.54 -0.77 1.79 -0.18 0.00 0.00 178.31 180.68 3iha h THR 70 N 0.19 1.48 -0.41 -1.55 1.35 -1.48 -0.17 112.91 112.31 3iha h THR 70 Ca -0.24 -2.72 -0.09 0.00 -0.55 0.00 0.00 66.41 62.81 3iha h THR 70 Cb 2.09 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 71.00 3iha h THR 70 CO 0.27 0.76 -0.09 0.22 -0.25 0.00 0.00 175.52 176.43 3iha h TYR 71 N 0.00 0.87 -0.43 4.73 3.20 -1.49 0.15 116.97 124.01 3iha h TYR 71 Ca -0.01 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.61 3iha h TYR 71 Cb 1.44 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 3iha h TYR 71 CO 0.00 0.90 0.02 0.00 -1.64 0.00 0.00 178.16 177.44 3iha h ALA 72 N 0.85 0.57 -0.08 1.82 0.00 -1.28 -1.11 119.26 120.04 3iha h ALA 72 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iha h ALA 72 Cb 0.61 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iha h ALA 72 CO 0.04 0.34 0.03 0.00 0.00 0.00 0.00 179.25 179.66 3iha h ALA 73 N 0.91 0.10 -0.56 0.00 0.00 -0.84 -2.65 119.26 116.21 3iha h ALA 73 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iha h ALA 73 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3iha h ALA 73 CO 0.02 -0.32 0.29 0.00 0.00 0.00 0.00 179.25 179.24 3iha h ALA 74 N 0.88 1.46 -0.37 0.00 0.00 -0.68 -1.97 119.26 118.58 3iha h ALA 74 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3iha h ALA 74 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3iha h ALA 74 CO -0.00 0.44 0.06 -0.07 0.00 0.00 0.00 179.25 179.68 3iha h LEU 75 N 0.78 0.51 -0.18 0.00 3.38 -0.97 -1.73 115.31 117.11 3iha h LEU 75 Ca 0.20 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3iha h LEU 75 Cb 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3iha h LEU 75 CO -0.03 0.54 -0.93 0.58 0.09 0.00 0.00 178.44 178.68 3iha h VAL 76 N 0.54 1.39 0.00 1.22 2.07 -1.09 0.23 116.25 120.62 3iha h VAL 76 Ca 0.12 -2.42 -0.09 0.00 0.82 0.00 0.00 66.70 65.13 3iha h VAL 76 Cb 0.25 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3iha h VAL 76 CO 0.00 0.72 -0.44 0.44 0.02 0.00 0.00 177.57 178.32 3iha h ASP 77 N 0.24 0.00 0.00 0.57 3.32 -1.05 -3.36 116.42 116.14 3iha h ASP 77 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3iha h ASP 77 Cb 1.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.12 3iha h ASP 77 CO 0.16 0.44 -0.18 0.54 -1.72 0.00 0.00 179.24 178.49 3iha n ARG 78 N -3.41 3.90 0.00 3.56 5.12 -0.68 -4.91 116.66 120.25 3iha n ARG 78 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 3iha n ARG 78 Cb 0.60 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 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 0.92 -2.29 0.36 -0.13 0.00 0.83 -4.30 105.19 100.58 3iha n GLY 79 Ca 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.91 -0.67 1.61 -1.00 -1.94 -2.89 116.94 111.14 3iha h PHE 80 Ca 0.00 0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.85 3iha h PHE 80 Cb 0.00 0.36 -0.09 0.00 3.61 0.00 0.00 35.95 39.83 3iha h PHE 80 CO 0.00 -0.47 -0.50 0.00 -1.61 0.00 0.00 178.31 175.73 3iha h ALA 81 N -0.13 -0.57 -0.82 2.45 0.00 -1.97 0.18 119.26 118.40 3iha h ALA 81 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3iha h ALA 81 Cb 0.62 1.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 3iha h ALA 81 CO -0.10 -0.89 0.51 0.00 0.00 0.00 0.00 179.25 178.78 3iha h ALA 82 N 0.11 1.10 -0.21 0.00 0.00 -1.74 -2.54 119.26 115.98 3iha h ALA 82 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3iha h ALA 82 Cb 0.42 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iha h ALA 82 CO -0.70 0.27 -0.63 0.28 0.00 0.00 0.00 179.25 178.46 3iha h VAL 83 N 0.95 1.28 0.00 0.00 2.07 -1.12 -3.23 116.25 116.21 3iha h VAL 83 Ca 0.35 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 3iha h VAL 83 Cb 0.11 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3iha h VAL 83 CO -0.15 0.59 -0.13 0.44 0.02 0.00 0.00 177.57 178.33 3iha h ASP 84 N 0.55 0.00 0.46 0.57 3.32 -0.45 0.43 116.42 121.30 3iha h ASP 84 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3iha h ASP 84 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3iha h ASP 84 CO 0.14 0.13 0.00 -1.14 -1.72 0.00 0.00 179.24 176.65 3iha n ARG 85 N -4.26 0.11 -0.01 3.56 0.63 -0.98 -3.27 116.66 112.44 3iha n ARG 85 Ca -0.03 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 3iha n ARG 85 Cb 0.21 -1.74 -0.02 0.00 0.45 0.00 0.00 32.46 31.36 3iha n ARG 85 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3iha n GLN 86 N -1.95 1.75 -4.10 -0.14 1.13 -0.38 -4.77 117.38 108.93 3iha n GLN 86 Ca 0.02 -0.01 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 3iha n GLN 86 Cb 0.15 -1.05 -0.17 0.00 0.11 0.00 0.00 30.24 29.28 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 -2.11 1.35 0.00 5.09 1.01 -0.00 -3.55 120.40 122.20 3iha s VAL 87 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3iha s VAL 87 Cb 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3iha s VAL 87 CO 0.09 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3iha n GLY 88 N 4.66 -1.10 0.09 4.51 0.00 -0.58 -4.36 105.19 108.41 3iha n GLY 88 Ca -0.16 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.23 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 1.14 -4.73 0.99 4.77 -0.65 -4.23 117.00 114.29 3iha n LEU 89 Ca 0.00 -1.42 -0.38 0.00 -0.03 0.00 0.00 56.01 54.18 3iha n LEU 89 Cb 0.00 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3iha n LEU 89 CO 0.00 0.34 0.21 0.20 -1.33 0.00 0.00 177.39 176.81 3iha s ASN 90 N -1.01 6.75 0.58 -1.43 0.01 -0.82 -4.96 114.94 114.06 3iha s ASN 90 Ca 0.06 0.89 -0.19 0.00 -0.71 0.00 0.00 52.86 52.91 3iha s ASN 90 Cb 0.05 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 3iha s ASN 90 CO 0.01 -0.00 1.19 -2.16 -1.51 0.00 0.00 177.10 174.62 3iha s PRO 91 N 0.56 3.04 0.09 -0.60 0.04 -1.26 -3.78 135.00 133.10 3iha s PRO 91 Ca 0.28 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 3iha s PRO 91 Cb -0.16 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.52 3iha s PRO 91 CO 0.12 -1.14 0.76 0.45 0.04 0.00 0.00 177.00 177.24 3iha s SER 92 N -1.64 -0.43 0.16 6.66 0.15 -1.26 -5.01 113.70 112.33 3iha s SER 92 Ca 0.76 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 57.16 3iha s SER 92 Cb -0.29 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.45 3iha s SER 92 CO 0.32 -0.83 0.64 -0.83 1.20 0.00 0.00 173.24 173.74 3iha s GLY 93 N -2.66 2.62 0.63 9.45 0.00 -1.26 -4.04 107.32 112.06 3iha s GLY 93 Ca 0.04 0.07 0.27 0.00 0.00 0.00 0.00 44.72 45.11 3iha s GLY 93 CO -0.09 0.44 1.83 -2.09 0.00 0.00 0.00 173.10 173.19 3iha h GLU 94 N 3.82 0.00 -6.26 2.90 4.57 -1.99 -3.39 114.58 114.23 3iha h GLU 94 Ca -0.48 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.11 3iha h GLU 94 Cb 1.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 3iha h GLU 94 CO 0.65 0.00 1.20 0.00 -1.18 0.00 0.00 179.01 179.68 3iha n ALA 95 N -2.07 1.19 -2.28 2.92 0.00 -1.26 -4.90 120.51 114.12 3iha n ALA 95 Ca 0.03 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 3iha n ALA 95 Cb 0.58 -2.60 -0.05 0.00 0.00 0.00 0.00 19.45 17.38 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 4.77 3.80 -0.03 0.00 5.36 -1.26 -5.06 117.98 125.55 3iha s PHE 96 Ca 0.93 1.65 0.05 0.00 -0.96 0.00 0.00 56.93 58.61 3iha s PHE 96 Cb -0.59 -2.93 -0.01 0.00 -0.34 0.00 0.00 43.02 39.15 3iha s PHE 96 CO 0.47 0.27 -0.20 1.21 -1.46 0.00 0.00 175.22 175.51 3iha s ASN 97 N -0.16 2.41 0.43 6.13 3.84 -1.26 -5.02 114.94 121.31 3iha s ASN 97 Ca 0.42 -0.39 0.24 0.00 0.21 0.00 0.00 52.86 53.34 3iha s ASN 97 Cb -0.22 -0.50 0.59 0.00 -0.55 0.00 0.00 41.25 40.58 3iha s ASN 97 CO 0.27 0.21 1.69 -0.08 -2.79 0.00 0.00 177.10 176.40 3iha h GLU 98 N 5.95 0.00 0.00 0.43 4.81 -2.02 -3.01 114.58 120.74 3iha h GLU 98 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3iha h GLU 98 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3iha h GLU 98 CO 0.48 0.15 0.00 -0.07 -0.73 0.00 0.00 179.01 178.83 3iha h LEU 99 N 0.00 0.00 -0.71 1.64 3.38 -2.00 -1.83 115.31 115.79 3iha h LEU 99 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3iha h LEU 99 Cb 0.94 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 3iha h LEU 99 CO 0.02 0.00 0.43 0.28 0.09 0.00 0.00 178.44 179.26 3iha h SER 100 N 0.00 0.67 0.41 -0.43 0.02 -1.91 -2.79 113.55 109.52 3iha h SER 100 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3iha h SER 100 Cb 0.08 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3iha h SER 100 CO 0.00 0.45 -0.36 0.18 -1.14 0.00 0.00 176.83 175.95 3iha n LEU 101 N -4.71 0.69 0.15 5.07 4.77 -0.70 -3.91 117.00 118.36 3iha n LEU 101 Ca 0.09 -0.08 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3iha n LEU 101 Cb 0.14 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3iha n LEU 101 CO 0.31 0.14 0.43 -0.08 -1.33 0.00 0.00 177.39 176.87 3iha h GLU 102 N 0.51 0.00 -6.69 3.23 4.81 -1.36 -3.34 114.58 111.74 3iha h GLU 102 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 3iha h GLU 102 Cb 0.49 0.00 0.22 0.00 0.63 0.00 0.00 28.75 30.09 3iha h GLU 102 CO 0.00 0.28 -0.76 0.00 -0.73 0.00 0.00 179.01 177.80 3iha n ALA 103 N -2.21 -3.04 0.29 2.92 0.00 -1.22 -4.75 120.51 112.51 3iha n ALA 103 Ca 0.01 -0.66 0.15 0.00 0.00 0.00 0.00 53.44 52.94 3iha n ALA 103 Cb 0.67 -1.70 0.75 0.00 0.00 0.00 0.00 19.45 19.17 3iha n ALA 103 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3iha h GLU 104 N -1.53 0.00 0.01 0.00 4.11 -1.93 -2.19 114.58 113.05 3iha h GLU 104 Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.99 3iha h GLU 104 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3iha h GLU 104 CO 0.33 0.00 -0.00 0.66 0.07 0.00 0.00 179.01 180.07 3iha h SER 105 N 0.00 -0.01 -4.35 3.06 4.64 -1.90 -3.49 113.55 111.50 3iha h SER 105 Ca 0.04 -0.75 -0.12 0.00 -0.47 0.00 0.00 61.79 60.48 3iha h SER 105 Cb 0.85 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.04 3iha h SER 105 CO -0.00 0.76 -0.43 1.41 -0.87 0.00 0.00 176.83 177.70 3iha n HIS 106 N -4.73 -1.40 -3.63 4.77 8.25 -0.82 -4.97 115.22 112.69 3iha n HIS 106 Ca -0.09 0.49 -0.11 0.00 -0.26 0.00 0.00 57.72 57.75 3iha n HIS 106 Cb 0.37 -3.36 -0.07 0.00 1.12 0.00 0.00 29.99 28.05 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 -3.69 0.62 0.75 -0.41 1.70 -1.26 -4.79 118.95 111.87 3iha s ARG 107 Ca 0.23 0.68 -0.16 0.00 -0.47 0.00 0.00 55.73 56.01 3iha s ARG 107 Cb -0.03 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 3iha s ARG 107 CO 0.41 -0.09 0.60 -0.35 -1.08 0.00 0.00 175.30 174.80 3iha n PRO 108 N 2.23 0.25 0.01 3.89 -0.04 -1.23 -4.54 135.00 135.58 3iha n PRO 108 Ca -0.13 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 3iha n PRO 108 Cb 0.56 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 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 -0.52 -0.27 -5.24 3.54 3.32 -1.89 -1.53 116.42 113.84 3iha h ASP 109 Ca -0.45 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 3iha h ASP 109 Cb 1.34 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.95 3iha h ASP 109 CO 0.42 -0.12 -0.04 0.54 -1.72 0.00 0.00 179.24 178.33 3iha s ASN 110 N -5.11 0.10 -0.10 6.45 4.22 -1.25 -1.64 114.94 117.62 3iha s ASN 110 Ca -0.14 -1.03 0.04 0.00 -2.14 0.00 0.00 52.86 49.58 3iha s ASN 110 Cb 0.09 0.66 0.26 0.00 1.28 0.00 0.00 41.25 43.54 3iha s ASN 110 CO 0.67 -1.27 1.03 0.00 -2.04 0.00 0.00 177.10 175.49 3iha n ALA 111 N -0.45 3.13 0.10 3.54 0.00 -1.26 -3.52 120.51 122.05 3iha n ALA 111 Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.71 3iha n ALA 111 Cb 0.61 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 0.14 1.81 -3.81 0.00 2.81 -1.26 -4.48 117.12 112.32 3iha n MET 112 Ca 0.12 -0.04 -0.33 0.00 -1.81 0.00 0.00 57.70 55.64 3iha n MET 112 Cb 0.66 -1.03 -0.05 0.00 -0.71 0.00 0.00 33.22 32.09 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 -2.15 5.33 0.19 2.02 -4.36 -1.25 -4.93 121.20 116.07 3iha s ILE 113 Ca -0.01 -0.05 -0.17 0.00 -0.26 0.00 0.00 60.65 60.16 3iha s ILE 113 Cb 0.04 -3.58 0.17 0.00 1.25 0.00 0.00 42.46 40.34 3iha s ILE 113 CO 0.26 0.26 1.37 0.59 0.24 0.00 0.00 174.94 177.66 3iha n ASN 114 N 0.73 -0.63 -0.27 4.36 3.02 -1.26 0.33 115.26 121.55 3iha n ASN 114 Ca -0.08 1.55 0.04 0.00 -0.03 0.00 0.00 54.58 56.05 3iha n ASN 114 Cb 0.52 -0.33 0.17 0.00 -0.61 0.00 0.00 39.78 39.53 3iha n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iha h ALA 115 N 1.11 1.12 0.00 5.41 0.00 -1.94 -0.36 119.26 124.60 3iha h ALA 115 Ca 0.28 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3iha h ALA 115 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3iha h ALA 115 CO -0.87 -0.04 -0.39 0.78 0.00 0.00 0.00 179.25 178.73 3iha h GLY 116 N 0.64 0.00 1.56 0.00 0.00 -0.16 -2.83 103.07 102.28 3iha h GLY 116 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.52 3iha h GLY 116 CO -0.30 0.00 -0.86 0.00 0.00 0.00 0.00 176.54 175.38 3iha h ALA 117 N 1.61 0.45 -0.46 3.60 0.00 0.20 -2.62 119.26 122.03 3iha h ALA 117 Ca -0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3iha h ALA 117 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3iha h ALA 117 CO 0.05 0.80 -0.04 -0.07 0.00 0.00 0.00 179.25 179.99 3iha h LEU 118 N 0.25 0.76 -0.81 0.00 3.38 -1.11 -0.81 115.31 116.97 3iha h LEU 118 Ca -0.06 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3iha h LEU 118 Cb 1.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3iha h LEU 118 CO 0.15 0.85 -0.58 0.00 0.09 0.00 0.00 178.44 178.94 3iha h ALA 119 N 1.23 1.01 0.05 1.53 0.00 -1.46 -2.60 119.26 119.01 3iha h ALA 119 Ca 0.13 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.27 3iha h ALA 119 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3iha h ALA 119 CO 0.03 0.73 -1.04 0.28 0.00 0.00 0.00 179.25 179.24 3iha h VAL 120 N 0.03 1.42 -0.29 0.00 2.07 -1.06 -3.14 116.25 115.28 3iha h VAL 120 Ca -0.01 -2.63 -0.09 0.00 0.82 0.00 0.00 66.70 64.80 3iha h VAL 120 Cb 1.04 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 3iha h VAL 120 CO 0.08 0.78 -0.20 -0.74 0.02 0.00 0.00 177.57 177.51 3iha h HIS 121 N 0.18 0.59 0.00 1.57 6.17 -1.05 -2.22 115.15 120.40 3iha h HIS 121 Ca -0.10 -0.12 -0.03 0.00 0.71 0.00 0.00 60.37 60.84 3iha h HIS 121 Cb 1.71 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 31.48 3iha h HIS 121 CO 0.06 0.70 -0.12 0.37 0.71 0.00 0.00 177.93 179.65 3iha h GLN 122 N 0.48 0.00 -0.01 5.26 5.75 -1.46 -2.74 115.11 122.38 3iha h GLN 122 Ca 0.08 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3iha h GLN 122 Cb 0.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 3iha h GLN 122 CO 0.04 0.12 -0.37 1.28 -2.65 0.00 0.00 178.83 177.25 3iha n LEU 123 N -3.43 1.39 -0.32 -2.39 4.77 -0.85 -4.75 117.00 111.41 3iha n LEU 123 Ca -0.01 -0.45 0.16 0.00 -0.03 0.00 0.00 56.01 55.68 3iha n LEU 123 Cb 0.29 -0.08 0.31 0.00 -2.33 0.00 0.00 43.42 41.61 3iha n LEU 123 CO 0.30 0.26 0.77 0.18 -1.33 0.00 0.00 177.39 177.57 3iha n LEU 124 N -0.46 -0.06 -0.02 2.23 4.77 -1.04 -4.03 117.00 118.40 3iha n LEU 124 Ca 0.11 1.58 -0.04 0.00 -0.03 0.00 0.00 56.01 57.62 3iha n LEU 124 Cb 0.39 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3iha n LEU 124 CO 0.28 -1.62 -0.62 0.52 -1.33 0.00 0.00 177.39 174.62 3iha n VAL 125 N -5.34 0.19 0.00 4.08 0.31 -1.26 -4.62 118.33 111.69 3iha n VAL 125 Ca 0.23 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 3iha n VAL 125 Cb 0.77 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 2.79 -0.60 0.24 2.92 0.00 -1.26 -4.83 105.19 104.45 3iha n GLY 126 Ca -0.07 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 -0.41 1.61 0.11 -1.92 -3.01 132.00 128.38 3iha h PRO 127 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3iha h PRO 127 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 3iha h PRO 127 CO 0.00 0.20 0.06 0.39 -0.21 0.00 0.00 178.00 178.43 3iha n GLU 128 N -3.61 2.73 -3.12 1.05 1.02 -1.26 -5.00 120.64 112.45 3iha n GLU 128 Ca -0.01 -3.01 -0.36 0.00 -0.02 0.00 0.00 57.16 53.76 3iha n GLU 128 Cb 0.33 -1.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.76 3iha n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iha s ALA 129 N -3.01 3.42 0.69 0.62 0.00 -1.14 -5.07 121.76 117.27 3iha s ALA 129 Ca 0.46 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 3iha s ALA 129 Cb 0.39 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 20.76 3iha s ALA 129 CO 0.07 0.34 1.03 -1.54 0.00 0.00 0.00 175.76 175.66 3iha s SER 130 N -1.70 5.09 0.19 0.00 1.04 -1.26 -4.95 113.70 112.10 3iha s SER 130 Ca 0.43 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.45 3iha s SER 130 Cb -0.16 -1.45 0.20 0.00 0.10 0.00 0.00 66.02 64.71 3iha s SER 130 CO 0.21 -1.46 1.74 -0.09 0.98 0.00 0.00 173.24 174.61 3iha h ARG 131 N -0.57 0.31 -0.17 4.02 2.43 -1.98 -2.70 114.38 115.72 3iha h ARG 131 Ca -0.45 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3iha h ARG 131 Cb 1.29 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3iha h ARG 131 CO 0.62 0.20 0.00 -0.22 -1.51 0.00 0.00 179.97 179.07 3iha h LYS 132 N 0.32 0.25 -0.05 0.20 3.11 -2.00 -3.04 116.57 115.36 3iha h LYS 132 Ca 0.26 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 58.00 3iha h LYS 132 Cb 0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 3iha h LYS 132 CO -0.29 0.27 -0.20 0.93 -2.81 0.00 0.00 179.45 177.35 3iha h GLU 133 N 0.24 0.22 -0.52 1.90 5.08 -1.86 -3.09 114.58 116.56 3iha h GLU 133 Ca 0.06 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3iha h GLU 133 Cb 0.16 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 3iha h GLU 133 CO 0.00 0.82 0.20 0.00 -1.00 0.00 0.00 179.01 179.03 3iha h ARG 134 N -0.32 0.37 0.00 2.33 3.08 -1.47 0.12 114.38 118.49 3iha h ARG 134 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3iha h ARG 134 Cb 0.85 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 3iha h ARG 134 CO 0.04 0.25 -0.15 1.25 -1.07 0.00 0.00 179.97 180.29 3iha h LEU 135 N 0.39 0.00 0.02 3.04 7.12 -1.60 -0.89 115.31 123.38 3iha h LEU 135 Ca 0.25 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 58.01 3iha h LEU 135 Cb 0.26 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.36 3iha h LEU 135 CO -0.24 0.15 -1.33 0.44 -0.13 0.00 0.00 178.44 177.33 3iha h ASP 136 N 0.00 0.06 -0.28 1.25 3.32 -1.15 -2.65 116.42 116.97 3iha h ASP 136 Ca -0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3iha h ASP 136 Cb 0.35 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3iha h ASP 136 CO 0.02 1.07 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.50 3iha h ARG 137 N 0.01 0.62 0.06 3.56 9.65 -0.07 0.48 114.38 128.69 3iha h ARG 137 Ca -0.14 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.58 3iha h ARG 137 Cb 1.89 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.39 3iha h ARG 137 CO 0.12 0.65 -0.03 0.00 2.80 0.00 0.00 179.97 183.51 3iha h ALA 138 N 1.40 -0.77 -0.96 2.80 0.00 -1.18 -1.15 119.26 119.41 3iha h ALA 138 Ca 0.12 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.27 3iha h ALA 138 Cb 0.40 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3iha h ALA 138 CO 0.02 -0.76 0.66 0.28 0.00 0.00 0.00 179.25 179.45 3iha h VAL 139 N -0.10 0.56 0.52 0.00 2.07 -1.43 -2.19 116.25 115.69 3iha h VAL 139 Ca -0.01 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3iha h VAL 139 Cb 0.06 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3iha h VAL 139 CO 0.01 0.03 -0.25 -0.08 0.02 0.00 0.00 177.57 177.30 3iha h GLU 140 N 0.16 -0.67 -0.57 1.57 4.81 -0.00 -0.67 114.58 119.20 3iha h GLU 140 Ca 0.48 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.87 3iha h GLU 140 Cb 1.62 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 31.07 3iha h GLU 140 CO -0.09 -0.40 0.06 0.97 -0.73 0.00 0.00 179.01 178.82 3iha h ILE 141 N -1.13 0.61 0.02 2.32 -0.00 -0.62 0.59 117.51 119.31 3iha h ILE 141 Ca -0.07 -0.06 -0.00 0.00 -0.00 0.00 0.00 64.86 64.72 3iha h ILE 141 Cb 0.58 0.40 0.00 0.00 -0.00 0.00 0.00 36.82 37.81 3iha h ILE 141 CO 0.12 0.03 -0.01 0.24 -0.00 0.00 0.00 178.15 178.53 3iha h MET 142 N 0.19 -0.03 -0.59 2.19 2.86 -1.49 -2.94 114.93 115.12 3iha h MET 142 Ca 0.29 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.99 3iha h MET 142 Cb 0.45 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3iha h MET 142 CO -0.43 0.05 0.39 0.77 1.06 0.00 0.00 176.91 178.76 3iha h SER 143 N -0.10 0.51 0.93 1.22 0.02 -0.08 -1.21 113.55 114.84 3iha h SER 143 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3iha h SER 143 Cb 0.09 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3iha h SER 143 CO 0.00 0.33 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.92 3iha h LEU 144 N 0.58 0.00 0.01 5.07 3.38 -0.75 -1.39 115.31 122.22 3iha h LEU 144 Ca 0.25 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.88 3iha h LEU 144 Cb 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3iha h LEU 144 CO -0.07 0.04 -2.07 0.18 0.09 0.00 0.00 178.44 176.60 3iha n LEU 145 N -3.16 0.80 0.20 1.67 4.77 -0.53 -4.01 117.00 116.73 3iha n LEU 145 Ca 0.00 0.18 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 3iha n LEU 145 Cb 0.31 0.13 0.34 0.00 -2.33 0.00 0.00 43.42 41.87 3iha n LEU 145 CO 0.28 0.51 0.71 0.00 -1.33 0.00 0.00 177.39 177.56 3iha h ALA 146 N 0.86 0.96 0.00 -1.18 0.00 -1.28 -3.36 119.26 115.26 3iha h ALA 146 Ca -0.43 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3iha h ALA 146 Cb 2.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3iha h ALA 146 CO 0.05 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3iha n GLY 147 N 0.35 0.86 3.44 0.00 0.00 -0.60 -4.91 105.19 104.33 3iha n GLY 147 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.77 1.22 -0.01 1.61 1.70 -0.75 -5.02 118.95 116.92 3iha s ARG 148 Ca 0.00 -0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 54.59 3iha s ARG 148 Cb 0.00 0.56 -0.07 0.00 -0.57 0.00 0.00 34.95 34.88 3iha s ARG 148 CO 0.00 -0.52 1.67 0.50 -1.08 0.00 0.00 175.30 175.88 3iha s ARG 149 N -3.38 4.19 0.44 3.89 3.52 -1.26 -4.52 118.95 121.82 3iha s ARG 149 Ca -0.00 2.26 0.05 0.00 -0.13 0.00 0.00 55.73 57.91 3iha s ARG 149 Cb -0.01 -3.88 0.01 0.00 -1.56 0.00 0.00 34.95 29.51 3iha s ARG 149 CO -0.10 -0.81 0.61 -0.51 -0.81 0.00 0.00 175.30 173.68 3iha s LEU 150 N 3.64 3.63 0.10 -0.88 1.43 -1.26 -5.09 118.68 120.25 3iha s LEU 150 Ca 0.75 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 3iha s LEU 150 Cb -0.36 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3iha s LEU 150 CO 0.31 -0.78 -0.08 -0.44 0.23 0.00 0.00 176.35 175.59 3iha s SER 151 N -4.32 1.29 -0.18 2.29 0.01 -1.26 -5.04 113.70 106.49 3iha s SER 151 Ca 0.53 -0.96 -0.14 0.00 1.31 0.00 0.00 55.95 56.70 3iha s SER 151 Cb -0.10 0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.14 3iha s SER 151 CO 0.34 -0.40 0.29 -0.69 0.41 0.00 0.00 173.24 173.19 3iha s VAL 152 N -3.30 5.30 -0.81 3.43 1.01 -1.26 -1.76 120.40 123.00 3iha s VAL 152 Ca 0.11 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 3iha s VAL 152 Cb 0.03 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.85 3iha s VAL 152 CO -0.03 0.36 1.18 -0.62 0.00 0.00 0.00 175.10 175.99 3iha s ASP 153 N 0.67 6.33 0.61 3.32 2.15 -0.13 -4.84 116.67 124.77 3iha s ASP 153 Ca 0.15 -1.15 0.39 0.00 0.43 0.00 0.00 52.55 52.36 3iha s ASP 153 Cb -0.13 -2.48 1.96 0.00 -0.30 0.00 0.00 42.92 41.96 3iha s ASP 153 CO 0.04 -1.49 2.21 -0.50 -0.17 0.00 0.00 175.17 175.27 3iha h TRP 154 N 9.59 0.00 -0.62 -5.34 4.06 -1.96 -2.06 115.95 119.63 3iha h TRP 154 Ca -0.10 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.78 3iha h TRP 154 Cb 1.04 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.18 3iha h TRP 154 CO 1.11 0.01 0.10 1.49 -3.56 0.00 0.00 178.44 177.60 3iha h GLU 155 N 0.00 1.02 -0.06 0.49 4.81 -1.98 -0.18 114.58 118.67 3iha h GLU 155 Ca -0.00 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 3iha h GLU 155 Cb 0.21 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.47 3iha h GLU 155 CO 0.00 0.94 -0.60 1.15 -0.73 0.00 0.00 179.01 179.77 3iha h THR 156 N 0.95 1.37 -0.39 0.32 2.02 -1.79 -2.56 112.91 112.84 3iha h THR 156 Ca 0.19 -1.95 0.08 0.00 0.77 0.00 0.00 66.41 65.50 3iha h THR 156 Cb 0.42 2.33 -0.07 0.00 -1.74 0.00 0.00 68.15 69.08 3iha h THR 156 CO 0.01 0.58 -0.10 0.22 0.37 0.00 0.00 175.52 176.60 3iha h TYR 157 N 0.09 -0.22 -0.54 3.16 3.20 -1.13 0.17 116.97 121.71 3iha h TYR 157 Ca -0.06 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3iha h TYR 157 Cb 1.26 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 3iha h TYR 157 CO 0.12 -0.17 0.02 0.93 -1.64 0.00 0.00 178.16 177.42 3iha h GLU 158 N -0.00 0.94 -0.64 1.82 4.39 -1.09 0.14 114.58 120.14 3iha h GLU 158 Ca 0.19 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3iha h GLU 158 Cb 0.29 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3iha h GLU 158 CO -0.40 0.95 0.40 1.03 -1.16 0.00 0.00 179.01 179.82 3iha h SER 159 N 0.82 0.66 0.34 1.42 0.87 -0.94 -2.69 113.55 114.04 3iha h SER 159 Ca 0.15 -0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.46 3iha h SER 159 Cb 0.51 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3iha h SER 159 CO 0.02 0.47 -1.05 -0.08 -0.53 0.00 0.00 176.83 175.66 3iha h GLU 160 N 0.79 0.43 0.00 2.24 4.81 -0.51 -3.25 114.58 119.10 3iha h GLU 160 Ca 0.25 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3iha h GLU 160 Cb -0.00 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3iha h GLU 160 CO -0.09 1.18 0.00 0.52 -0.73 0.00 0.00 179.01 179.88 3iha h MET 161 N 0.22 0.00 0.00 1.92 2.86 -0.52 -1.60 114.93 117.82 3iha h MET 161 Ca -0.11 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3iha h MET 161 Cb 1.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.36 3iha h MET 161 CO 0.18 0.00 -0.42 0.00 1.06 0.00 0.00 176.91 177.73 3iha h ALA 162 N 2.01 0.79 -1.47 6.32 0.00 -1.51 -3.32 119.26 122.07 3iha h ALA 162 Ca 0.00 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 54.19 3iha h ALA 162 Cb 0.10 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.48 3iha h ALA 162 CO 0.00 0.30 -0.97 1.33 0.00 0.00 0.00 179.25 179.91 3iha n VAL 163 N -3.07 1.58 -1.23 0.00 0.24 -0.64 -4.86 118.33 110.34 3iha n VAL 163 Ca 0.02 -4.23 -0.10 0.00 -2.04 0.00 0.00 64.34 57.99 3iha n VAL 163 Cb 0.63 -0.39 0.23 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.19 3.66 -0.33 -1.34 7.64 -0.94 -4.72 113.62 117.41 3iha n SER 164 Ca 0.24 -3.50 0.02 0.00 1.01 0.00 0.00 58.87 56.64 3iha n SER 164 Cb 0.69 -0.72 0.16 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.52 0.91 0.45 6.43 3.32 -1.89 -2.09 116.42 125.07 3iha h ASP 165 Ca 0.35 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 3iha h ASP 165 Cb 2.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.60 3iha h ASP 165 CO 0.70 0.57 -0.22 -0.09 -1.72 0.00 0.00 179.24 178.49 3iha h ARG 166 N 1.04 -0.58 -0.96 3.56 2.43 -2.00 -2.26 114.38 115.60 3iha h ARG 166 Ca 0.41 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.70 3iha h ARG 166 Cb 0.20 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 3iha h ARG 166 CO -0.18 -0.34 0.60 -0.91 -1.51 0.00 0.00 179.97 177.62 3iha h ASN 167 N -0.69 0.92 -0.98 -3.80 2.35 -1.90 0.00 115.58 111.49 3iha h ASN 167 Ca -0.06 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3iha h ASN 167 Cb 0.51 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.64 3iha h ASN 167 CO 0.10 0.55 0.63 -0.07 -1.65 0.00 0.00 177.43 176.99 3iha h LEU 168 N 1.04 0.97 -0.34 1.61 3.38 -1.25 0.11 115.31 120.83 3iha h LEU 168 Ca 0.44 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3iha h LEU 168 Cb 0.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3iha h LEU 168 CO -0.21 0.59 0.22 -1.28 0.09 0.00 0.00 178.44 177.86 3iha h SER 169 N 1.09 0.39 -0.69 -0.43 0.87 -0.41 0.20 113.55 114.57 3iha h SER 169 Ca 0.44 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.95 3iha h SER 169 Cb 0.27 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3iha h SER 169 CO -0.19 0.28 0.25 -0.07 -0.53 0.00 0.00 176.83 176.57 3iha h LEU 170 N 0.46 0.97 -0.26 2.23 3.38 -0.62 -1.38 115.31 120.09 3iha h LEU 170 Ca 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iha h LEU 170 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3iha h LEU 170 CO -0.03 0.90 0.14 0.00 0.09 0.00 0.00 178.44 179.54 3iha h ALA 171 N 1.11 0.33 0.27 1.53 0.00 -0.35 -0.24 119.26 121.91 3iha h ALA 171 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3iha h ALA 171 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iha h ALA 171 CO -0.01 -0.15 -0.13 0.45 0.00 0.00 0.00 179.25 179.41 3iha h HIS 172 N 0.31 -0.33 -0.57 0.00 3.86 -0.44 -1.40 115.15 116.58 3iha h HIS 172 Ca 0.09 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.41 3iha h HIS 172 Cb 0.05 0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.53 3iha h HIS 172 CO -0.04 -0.15 -0.03 1.98 0.86 0.00 0.00 177.93 180.55 3iha h MET 173 N -0.44 0.08 -0.62 2.45 -1.53 -1.18 -0.17 114.93 113.52 3iha h MET 173 Ca -0.04 -0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.27 3iha h MET 173 Cb 0.33 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.31 3iha h MET 173 CO 0.06 0.06 0.35 -0.07 0.14 0.00 0.00 176.91 177.44 3iha h LEU 174 N 0.09 0.52 -1.06 3.39 3.38 -0.71 -1.47 115.31 119.45 3iha h LEU 174 Ca 0.29 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.34 3iha h LEU 174 Cb 0.46 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3iha h LEU 174 CO -0.51 0.34 0.63 0.03 0.09 0.00 0.00 178.44 179.03 3iha h ARG 175 N 0.65 1.14 -0.94 1.13 3.08 0.03 -0.91 114.38 118.56 3iha h ARG 175 Ca 0.27 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.42 3iha h ARG 175 Cb 0.15 -0.26 -0.10 0.00 0.08 0.00 0.00 29.97 29.84 3iha h ARG 175 CO -0.16 0.75 0.54 1.03 -1.07 0.00 0.00 179.97 181.06 3iha h SER 176 N 1.17 0.69 -0.33 7.04 0.87 -0.05 0.72 113.55 123.66 3iha h SER 176 Ca 0.40 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3iha h SER 176 Cb 0.09 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3iha h SER 176 CO -0.14 0.28 0.00 -1.22 -0.53 0.00 0.00 176.83 175.22 3iha n TYR 177 N -4.79 0.44 -1.47 2.24 4.02 -0.58 -4.93 117.16 112.09 3iha n TYR 177 Ca 0.20 -0.22 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 3iha n TYR 177 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 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 1.23 0.64 0.14 2.72 0.00 0.25 -4.92 105.19 105.25 3iha n GLY 178 Ca 0.16 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.53 3iha n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iha h VAL 179 N 0.00 0.30 -3.83 1.61 2.07 -1.41 -3.44 116.25 111.55 3iha h VAL 179 Ca -0.14 -1.50 -0.69 0.00 0.82 0.00 0.00 66.70 65.19 3iha h VAL 179 Cb 0.63 1.94 -0.31 0.00 -1.52 0.00 0.00 31.29 32.03 3iha h VAL 179 CO 0.19 0.17 -0.86 -0.76 0.02 0.00 0.00 177.57 176.33 3iha s LEU 180 N -5.89 2.19 -0.14 2.57 1.43 -1.24 -4.93 118.68 112.67 3iha s LEU 180 Ca 0.02 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 3iha s LEU 180 Cb 0.08 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 3iha s LEU 180 CO 0.76 0.23 -0.15 1.56 0.23 0.00 0.00 176.35 178.97 3iha h GLN 181 N 6.18 0.00 0.00 1.70 7.50 -1.94 -3.40 115.11 125.15 3iha h GLN 181 Ca -0.30 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.85 3iha h GLN 181 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.72 3iha h GLN 181 CO 0.48 0.05 0.00 -0.25 -1.50 0.00 0.00 178.83 177.61 3iha n ASP 182 N -4.61 -0.51 -4.92 1.46 10.43 -1.26 -5.00 116.55 112.13 3iha n ASP 182 Ca -0.08 -0.02 -0.26 0.00 2.57 0.00 0.00 54.79 57.00 3iha n ASP 182 Cb 0.28 0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.25 3iha n ASP 182 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3iha s SER 183 N -1.94 5.97 0.01 -2.24 1.04 -1.26 -5.00 113.70 110.28 3iha s SER 183 Ca 0.00 0.68 -0.25 0.00 0.48 0.00 0.00 55.95 56.86 3iha s SER 183 Cb 0.00 -1.91 -0.18 0.00 0.10 0.00 0.00 66.02 64.03 3iha s SER 183 CO 0.00 -0.73 1.40 0.00 0.98 0.00 0.00 173.24 174.89 3iha h ALA 184 N 0.19 0.02 -0.63 5.32 0.00 -1.93 -2.62 119.26 119.60 3iha h ALA 184 Ca -0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3iha h ALA 184 Cb 1.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3iha h ALA 184 CO 0.60 -0.30 0.38 1.05 0.00 0.00 0.00 179.25 180.99 3iha h GLU 185 N -0.32 0.85 -0.20 0.00 -0.00 -1.95 0.39 114.58 113.35 3iha h GLU 185 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.36 59.28 3iha h GLU 185 Cb 0.37 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 28.93 3iha h GLU 185 CO 0.00 0.59 0.06 1.49 -0.00 0.00 0.00 179.01 181.16 3iha h GLU 186 N 0.87 0.30 -0.05 1.06 4.81 -1.93 -0.49 114.58 119.15 3iha h GLU 186 Ca 0.23 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.21 3iha h GLU 186 Cb -0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3iha h GLU 186 CO -0.04 0.40 -0.77 0.82 -0.73 0.00 0.00 179.01 178.69 3iha h ILE 187 N 0.15 1.41 -0.24 2.32 5.03 -1.22 -2.57 117.51 122.38 3iha h ILE 187 Ca 0.06 -2.27 -0.01 0.00 -0.12 0.00 0.00 64.86 62.52 3iha h ILE 187 Cb 0.22 2.22 -0.01 0.00 -3.03 0.00 0.00 36.82 36.22 3iha h ILE 187 CO -0.00 0.67 0.10 0.58 -0.68 0.00 0.00 178.15 178.82 3iha h VAL 188 N 0.21 1.17 -0.45 1.67 2.07 -0.82 0.37 116.25 120.47 3iha h VAL 188 Ca -0.04 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3iha h VAL 188 Cb 1.36 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3iha h VAL 188 CO 0.13 0.17 0.19 0.00 0.02 0.00 0.00 177.57 178.08 3iha h ALA 189 N 0.95 0.56 -0.23 1.67 0.00 -1.08 0.33 119.26 121.46 3iha h ALA 189 Ca 0.08 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3iha h ALA 189 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3iha h ALA 189 CO -0.01 -0.18 -0.24 0.78 0.00 0.00 0.00 179.25 179.59 3iha h GLY 190 N 0.39 0.46 1.35 0.00 0.00 -1.26 -2.37 103.07 101.65 3iha h GLY 190 Ca 0.21 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 3iha h GLY 190 CO -0.18 0.34 -0.59 -1.82 0.00 0.00 0.00 176.54 174.28 3iha h TYR 191 N 0.38 0.85 0.00 5.60 3.20 0.04 -2.09 116.97 124.96 3iha h TYR 191 Ca 0.06 -0.32 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 3iha h TYR 191 Cb 0.64 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 3iha h TYR 191 CO 0.02 1.10 -0.07 0.28 -1.64 0.00 0.00 178.16 177.85 3iha h VAL 192 N 0.50 0.16 0.14 1.81 2.07 -0.20 -2.48 116.25 118.25 3iha h VAL 192 Ca 0.00 -0.75 -0.24 0.00 0.82 0.00 0.00 66.70 66.53 3iha h VAL 192 Cb 1.17 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3iha h VAL 192 CO 0.12 0.06 -1.17 0.00 0.02 0.00 0.00 177.57 176.60 3iha h ALA 193 N 1.93 0.04 -0.95 1.67 0.00 -1.32 -3.08 119.26 117.56 3iha h ALA 193 Ca -0.00 -0.91 0.18 0.00 0.00 0.00 0.00 54.91 54.19 3iha h ALA 193 Cb 0.64 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 3iha h ALA 193 CO 0.01 0.63 0.61 0.37 0.00 0.00 0.00 179.25 180.86 3iha h GLN 194 N -0.30 0.61 0.00 0.00 4.15 -1.24 0.40 115.11 118.73 3iha h GLN 194 Ca -0.23 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3iha h GLN 194 Cb 1.74 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.30 3iha h GLN 194 CO 0.11 0.40 -0.01 0.00 -1.93 0.00 0.00 178.83 177.40 3iha n ALA 196 N -1.93 2.61 -1.86 0.00 0.00 0.14 -0.78 120.51 118.69 3iha n ALA 196 Ca 0.05 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3iha n ALA 196 Cb 0.48 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.98 2.57 -0.17 0.00 1.01 -1.07 -0.96 120.40 119.81 3iha s VAL 197 Ca 0.40 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 3iha s VAL 197 Cb 0.20 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3iha s VAL 197 CO 0.33 0.08 0.22 -0.76 0.00 0.00 0.00 175.10 174.97 3iha s LEU 198 N -0.48 4.24 0.18 3.92 1.43 -0.73 -0.76 118.68 126.48 3iha s LEU 198 Ca 0.59 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 3iha s LEU 198 Cb -0.43 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 3iha s LEU 198 CO 0.45 0.15 0.04 0.68 0.23 0.00 0.00 176.35 177.90 3iha s VAL 199 N 0.30 0.44 0.26 -1.59 -7.23 -0.77 -4.60 120.40 107.21 3iha s VAL 199 Ca 0.13 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 3iha s VAL 199 Cb -0.12 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3iha s VAL 199 CO 0.02 -0.36 -0.01 0.42 -0.31 0.00 0.00 175.10 174.86 3iha s THR 200 N -3.83 3.45 0.57 5.32 -4.23 -1.26 -1.64 115.64 114.02 3iha s THR 200 Ca 0.27 -1.87 0.31 0.00 -1.18 0.00 0.00 61.69 59.22 3iha s THR 200 Cb 0.07 -2.83 0.45 0.00 1.34 0.00 0.00 72.50 71.53 3iha s THR 200 CO 0.05 -0.34 1.79 0.58 -0.54 0.00 0.00 174.62 176.16 3iha h VAL 201 N 1.98 0.35 -0.05 2.29 2.07 -1.71 -0.40 116.25 120.77 3iha h VAL 201 Ca -0.45 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.96 3iha h VAL 201 Cb 1.24 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3iha h VAL 201 CO 0.60 0.00 -0.43 0.11 0.02 0.00 0.00 177.57 177.87 3iha h LYS 202 N 0.00 0.39 -0.26 1.57 1.57 -1.88 -2.83 116.57 115.14 3iha h LYS 202 Ca 0.38 -0.34 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3iha h LYS 202 Cb 1.80 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 34.15 3iha h LYS 202 CO -0.00 1.00 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.42 3iha h ASP 203 N -0.11 -0.13 -0.99 0.86 3.32 -1.39 -1.22 116.42 116.77 3iha h ASP 203 Ca -0.04 0.06 0.15 0.00 0.02 0.00 0.00 57.03 57.22 3iha h ASP 203 Cb 1.10 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 3iha h ASP 203 CO 0.09 -0.03 0.61 -0.07 -1.72 0.00 0.00 179.24 178.12 3iha h LEU 204 N 0.06 0.84 -1.04 1.55 3.38 -1.54 0.33 115.31 118.90 3iha h LEU 204 Ca 0.12 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3iha h LEU 204 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3iha h LEU 204 CO -0.22 0.38 -0.02 0.00 0.09 0.00 0.00 178.44 178.68 3iha h ALA 205 N 1.58 1.20 0.06 1.53 0.00 -0.99 0.35 119.26 122.99 3iha h ALA 205 Ca 0.53 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 3iha h ALA 205 Cb 0.67 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iha h ALA 205 CO -0.32 0.52 -1.07 0.28 0.00 0.00 0.00 179.25 178.66 3iha h VAL 206 N 0.63 1.42 -0.15 0.00 2.07 -0.01 -2.18 116.25 118.02 3iha h VAL 206 Ca 0.12 -2.65 -0.06 0.00 0.82 0.00 0.00 66.70 64.93 3iha h VAL 206 Cb 0.42 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3iha h VAL 206 CO 0.02 0.79 -0.16 0.24 0.02 0.00 0.00 177.57 178.48 3iha h MET 207 N 0.18 0.37 -0.52 1.57 2.07 -0.29 -2.43 114.93 115.89 3iha h MET 207 Ca -0.11 -0.20 0.04 0.00 -2.07 0.00 0.00 59.70 57.36 3iha h MET 207 Cb 1.74 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 31.45 3iha h MET 207 CO 0.18 0.76 0.34 0.78 1.07 0.00 0.00 176.91 180.04 3iha h GLY 208 N 0.01 0.63 1.80 8.32 0.00 -0.34 -1.34 103.07 112.15 3iha h GLY 208 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3iha h GLY 208 CO 0.04 0.18 -0.23 0.00 0.00 0.00 0.00 176.54 176.53 3iha h ALA 209 N 1.71 1.36 -0.31 3.60 0.00 -1.03 -0.74 119.26 123.85 3iha h ALA 209 Ca 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3iha h ALA 209 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iha h ALA 209 CO -0.06 0.44 0.12 0.00 0.00 0.00 0.00 179.25 179.75 3iha h LEU 211 N 0.36 0.59 -0.71 0.00 3.38 -1.44 0.31 115.31 117.80 3iha h LEU 211 Ca 0.10 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3iha h LEU 211 Cb 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3iha h LEU 211 CO -0.01 0.78 0.47 0.00 0.09 0.00 0.00 178.44 179.77 3iha h ALA 212 N 1.28 0.91 -0.03 1.53 0.00 -0.68 -2.88 119.26 119.38 3iha h ALA 212 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iha h ALA 212 Cb 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iha h ALA 212 CO 0.04 0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.85 3iha n THR 213 N -4.60 0.04 -0.74 0.00 -2.24 -0.87 0.50 114.28 106.38 3iha n THR 213 Ca 0.07 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3iha n THR 213 Cb 0.03 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.02 0.93 0.00 3.38 0.00 -1.09 -4.25 105.19 105.18 3iha n GLY 214 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.76 0.77 3.72 -0.02 0.00 0.09 -3.28 105.19 104.70 3iha n GLY 215 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 5.36 -0.03 -0.61 1.01 -1.22 0.52 121.20 124.23 3iha s ILE 216 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 3iha s ILE 216 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3iha s ILE 216 CO 0.00 0.40 1.20 -2.28 0.00 0.00 0.00 174.94 174.26 3iha s HIS 217 N 0.51 3.25 -0.48 3.97 5.65 -0.71 -4.38 115.29 123.09 3iha s HIS 217 Ca 0.11 1.24 0.25 0.00 0.25 0.00 0.00 55.06 56.91 3iha s HIS 217 Cb -0.12 -3.41 0.97 0.00 -1.18 0.00 0.00 32.58 28.84 3iha s HIS 217 CO 0.01 -1.28 1.75 -1.00 -0.65 0.00 0.00 174.74 173.57 3iha h PRO 218 N 7.32 0.00 -0.00 2.88 0.13 -1.87 0.37 132.00 140.83 3iha h PRO 218 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3iha h PRO 218 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3iha h PRO 218 CO 0.86 0.00 -0.68 -1.33 -0.23 0.00 0.00 178.00 176.63 3iha n MET 219 N -2.33 0.15 0.00 0.86 2.81 -1.26 -3.28 117.12 114.06 3iha n MET 219 Ca 0.03 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3iha n MET 219 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.33 0.00 -0.87 2.03 -2.24 -1.18 -5.02 114.28 105.67 3iha n THR 220 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3iha n THR 220 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.07 0.68 3.71 3.38 0.00 0.13 -5.02 105.19 108.15 3iha n GLY 221 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.13 4.40 -0.05 1.61 2.12 -1.25 -4.73 118.70 120.66 3iha s GLU 222 Ca 0.00 0.79 -0.30 0.00 0.36 0.00 0.00 54.97 55.82 3iha s GLU 222 Cb 0.00 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 3iha s GLU 222 CO 0.00 0.04 1.52 0.50 -0.54 0.00 0.00 175.26 176.78 3iha s ARG 223 N 0.91 4.22 -0.20 4.30 3.52 -1.26 -1.74 118.95 128.70 3iha s ARG 223 Ca 0.35 2.06 0.07 0.00 -0.13 0.00 0.00 55.73 58.08 3iha s ARG 223 Cb -0.17 -3.81 -0.22 0.00 -1.56 0.00 0.00 34.95 29.20 3iha s ARG 223 CO 0.16 -0.74 0.05 -1.33 -0.81 0.00 0.00 175.30 172.63 3iha n MET 224 N 6.45 0.68 -4.16 5.12 2.81 0.18 -4.95 117.12 123.26 3iha n MET 224 Ca 0.15 0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 56.04 3iha n MET 224 Cb 0.43 -1.58 -0.11 0.00 -0.71 0.00 0.00 33.22 31.26 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 -6.20 2.40 0.43 4.03 1.43 -0.94 -5.08 118.68 114.76 3iha s LEU 225 Ca -0.21 -0.81 -0.24 0.00 -1.03 0.00 0.00 54.13 51.83 3iha s LEU 225 Cb 0.08 -0.23 -0.08 0.00 0.03 0.00 0.00 46.19 45.98 3iha s LEU 225 CO 0.73 -0.30 1.15 -2.84 0.23 0.00 0.00 176.35 175.32 3iha s PRO 226 N -2.82 3.93 0.36 1.29 0.02 -1.26 -4.30 135.00 132.22 3iha s PRO 226 Ca 0.04 1.76 0.04 0.00 0.02 0.00 0.00 61.00 62.86 3iha s PRO 226 Cb -0.02 -2.53 0.68 0.00 0.02 0.00 0.00 34.50 32.65 3iha s PRO 226 CO -0.01 -0.40 1.99 0.66 -0.33 0.00 0.00 177.00 178.91 3iha h SER 227 N 2.34 0.70 0.16 2.53 4.64 -1.94 -1.82 113.55 120.16 3iha h SER 227 Ca -0.49 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 3iha h SER 227 Cb 1.24 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3iha h SER 227 CO 0.61 0.48 -0.26 0.40 -0.87 0.00 0.00 176.83 177.20 3iha h ILE 228 N 0.81 1.23 0.10 0.95 1.08 -1.91 -0.53 117.51 119.24 3iha h ILE 228 Ca 0.26 -1.08 -0.14 0.00 -0.39 0.00 0.00 64.86 63.51 3iha h ILE 228 Cb 0.05 1.45 0.02 0.00 -3.07 0.00 0.00 36.82 35.26 3iha h ILE 228 CO -0.07 0.32 -0.62 0.58 -0.69 0.00 0.00 178.15 177.67 3iha h VAL 229 N 0.16 1.57 -0.72 1.67 2.07 -1.79 -3.01 116.25 116.20 3iha h VAL 229 Ca 0.03 -2.49 0.05 0.00 0.82 0.00 0.00 66.70 65.11 3iha h VAL 229 Cb 0.55 3.24 -0.04 0.00 -1.52 0.00 0.00 31.29 33.52 3iha h VAL 229 CO 0.04 0.69 0.47 0.00 0.02 0.00 0.00 177.57 178.79 3iha h ALA 230 N 0.05 1.65 0.79 1.67 0.00 -1.27 -1.91 119.26 120.25 3iha h ALA 230 Ca -0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3iha h ALA 230 Cb 1.48 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.06 3iha h ALA 230 CO 0.11 0.26 -0.38 -0.09 0.00 0.00 0.00 179.25 179.14 3iha h ARG 231 N 0.81 -1.03 -0.59 0.00 2.43 -1.12 -2.39 114.38 112.49 3iha h ARG 231 Ca 0.30 0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.66 3iha h ARG 231 Cb 0.17 0.23 -0.11 0.00 -0.42 0.00 0.00 29.97 29.84 3iha h ARG 231 CO -0.09 -0.68 -0.18 -0.09 -1.51 0.00 0.00 179.97 177.42 3iha h ARG 232 N -1.07 -0.03 -0.74 0.20 9.65 -1.34 -0.66 114.38 120.39 3iha h ARG 232 Ca -0.11 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.88 3iha h ARG 232 Cb 0.82 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.32 3iha h ARG 232 CO 0.18 -0.02 0.36 0.28 2.80 0.00 0.00 179.97 183.57 3iha h VAL 233 N -0.03 0.80 0.00 0.20 2.07 -1.26 0.34 116.25 118.37 3iha h VAL 233 Ca 0.28 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 3iha h VAL 233 Cb 0.46 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3iha h VAL 233 CO -0.62 0.11 -0.38 0.58 0.02 0.00 0.00 177.57 177.27 3iha h VAL 234 N 0.58 1.20 -0.39 2.57 2.07 -0.77 -2.00 116.25 119.51 3iha h VAL 234 Ca 0.38 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3iha h VAL 234 Cb 0.46 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3iha h VAL 234 CO -0.31 0.38 0.08 0.28 0.02 0.00 0.00 177.57 178.02 3iha h SER 235 N 0.00 0.61 1.65 0.57 0.02 0.10 -1.98 113.55 114.53 3iha h SER 235 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3iha h SER 235 Cb 0.71 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 3iha h SER 235 CO 0.05 0.70 -0.07 0.58 -1.14 0.00 0.00 176.83 176.96 3iha h VAL 236 N 0.49 0.13 -0.14 2.27 2.07 -0.86 -1.30 116.25 118.90 3iha h VAL 236 Ca 0.12 -1.02 -0.21 0.00 0.82 0.00 0.00 66.70 66.41 3iha h VAL 236 Cb 0.34 1.92 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3iha h VAL 236 CO 0.01 0.07 -0.74 0.24 0.02 0.00 0.00 177.57 177.16 3iha h MET 237 N 0.00 0.75 0.28 1.57 2.86 -1.19 -1.43 114.93 117.77 3iha h MET 237 Ca -0.00 -0.62 -0.01 0.00 -2.06 0.00 0.00 59.70 57.01 3iha h MET 237 Cb 0.91 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3iha h MET 237 CO 0.01 1.23 -0.13 1.15 1.06 0.00 0.00 176.91 180.22 3iha h THR 238 N 0.47 0.68 0.00 2.22 2.02 -1.27 0.29 112.91 117.32 3iha h THR 238 Ca -0.05 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.31 3iha h THR 238 Cb 1.38 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3iha h THR 238 CO 0.15 0.14 -0.29 0.77 0.37 0.00 0.00 175.52 176.66 3iha h SER 239 N -0.82 0.00 0.00 4.18 4.64 -1.32 -3.37 113.55 116.86 3iha h SER 239 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3iha h SER 239 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3iha h SER 239 CO 0.06 0.29 0.00 -1.20 -0.87 0.00 0.00 176.83 175.11 3iha n SER 240 N -3.48 0.07 -0.27 4.97 7.64 -0.55 -4.58 113.62 117.43 3iha n SER 240 Ca -0.00 -0.34 0.08 0.00 1.01 0.00 0.00 58.87 59.61 3iha n SER 240 Cb 0.46 0.38 0.22 0.00 -1.01 0.00 0.00 64.21 64.25 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 1.19 -3.37 0.23 0.00 -0.34 -0.95 103.07 99.83 3iha h GLY 241 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3iha h GLY 241 CO 0.00 -0.20 0.00 1.03 0.00 0.00 0.00 176.54 177.37 3iha n MET 242 N -5.10 4.60 0.00 4.80 2.81 -1.26 -4.70 117.12 118.27 3iha n MET 242 Ca 0.17 -2.95 0.00 0.00 -1.81 0.00 0.00 57.70 53.11 3iha n MET 242 Cb 0.51 -2.20 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 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 0.62 0.00 0.83 2.03 4.02 -0.36 -2.12 117.16 122.18 3iha n TYR 243 Ca 0.26 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.25 3iha n TYR 243 Cb 1.12 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 40.92 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 5.07 0.00 -1.37 7.72 8.00 -1.26 -2.44 116.55 132.28 3iha n ASP 244 Ca 0.00 0.26 0.09 0.00 0.71 0.00 0.00 54.79 55.85 3iha n ASP 244 Cb 0.00 -0.40 0.32 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.40 2.99 0.04 2.24 0.00 -0.90 -4.54 120.51 118.94 3iha n ALA 245 Ca 0.07 -1.67 -0.02 0.00 0.00 0.00 0.00 53.44 51.83 3iha n ALA 245 Cb 0.20 -0.89 0.25 0.00 0.00 0.00 0.00 19.45 19.02 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 3.45 1.22 -0.24 0.00 0.00 -1.51 -1.55 119.26 120.64 3iha h ALA 246 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3iha h ALA 246 Cb 1.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3iha h ALA 246 CO 0.21 0.51 0.05 0.78 0.00 0.00 0.00 179.25 180.80 3iha h GLY 247 N 0.97 0.43 1.95 0.00 0.00 -1.85 0.21 103.07 104.77 3iha h GLY 247 Ca 0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3iha h GLY 247 CO 0.04 0.26 -0.36 -1.61 0.00 0.00 0.00 176.54 174.86 3iha h GLN 248 N 0.21 0.06 0.05 4.80 -0.00 -1.86 -2.94 115.11 115.43 3iha h GLN 248 Ca 0.08 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.65 58.45 3iha h GLN 248 Cb 0.30 -0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.79 3iha h GLN 248 CO 0.00 0.42 -1.08 2.35 0.00 0.00 0.00 178.83 180.53 3iha h TRP 249 N 0.06 0.69 0.00 3.99 2.91 -1.02 -0.26 115.95 122.31 3iha h TRP 249 Ca 0.00 -0.41 -0.05 0.00 1.13 0.00 0.00 58.89 59.56 3iha h TRP 249 Cb 0.67 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 3iha h TRP 249 CO 0.00 1.26 -0.23 1.25 -1.03 0.00 0.00 178.44 179.69 3iha h LEU 250 N 0.22 0.00 0.05 0.65 7.12 -0.89 0.86 115.31 123.32 3iha h LEU 250 Ca -0.12 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.61 3iha h LEU 250 Cb 1.74 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.84 3iha h LEU 250 CO 0.19 0.23 -1.53 0.00 -0.13 0.00 0.00 178.44 177.20 3iha h ALA 251 N 1.77 0.32 0.00 1.25 0.00 -1.52 -3.00 119.26 118.09 3iha h ALA 251 Ca -0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 54.91 53.56 3iha h ALA 251 Cb 0.56 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3iha h ALA 251 CO 0.03 0.93 -0.34 -0.44 0.00 0.00 0.00 179.25 179.43 3iha h ASP 252 N -0.60 0.00 0.00 0.00 5.19 -0.99 -3.41 116.42 116.61 3iha h ASP 252 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3iha h ASP 252 Cb 1.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.09 3iha h ASP 252 CO -0.10 0.34 -0.42 0.52 -3.12 0.00 0.00 179.24 176.46 3iha n VAL 253 N -3.78 0.41 -0.56 -1.35 0.31 0.27 -4.89 118.33 108.75 3iha n VAL 253 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3iha n VAL 253 Cb 0.42 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 2.78 0.79 3.38 2.92 0.00 -1.08 -4.35 105.19 109.64 3iha n GLY 254 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3iha n GLY 254 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iha s ILE 255 N -3.13 4.37 0.04 -0.61 -4.36 -1.26 -1.46 121.20 114.79 3iha s ILE 255 Ca 0.00 -0.73 -0.33 0.00 -0.26 0.00 0.00 60.65 59.34 3iha s ILE 255 Cb 0.00 -3.35 -0.11 0.00 1.25 0.00 0.00 42.46 40.25 3iha s ILE 255 CO 0.00 -0.08 1.82 -2.65 0.24 0.00 0.00 174.94 174.28 3iha n PRO 256 N 4.95 2.44 -3.62 0.37 -0.02 -1.26 -4.85 135.00 133.01 3iha n PRO 256 Ca -0.13 0.89 -0.16 0.00 -2.02 0.00 0.00 63.50 62.09 3iha n PRO 256 Cb 0.47 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.13 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 3.13 -1.51 -0.01 3.55 0.00 -1.26 -1.37 121.76 124.29 3iha s ALA 257 Ca 0.86 1.33 0.08 0.00 0.00 0.00 0.00 51.96 54.23 3iha s ALA 257 Cb -0.59 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3iha s ALA 257 CO 0.44 -0.32 -0.24 0.21 0.00 0.00 0.00 175.76 175.84 3iha s LYS 258 N -0.60 1.93 0.17 0.00 2.47 -0.86 -4.37 119.74 118.49 3iha s LYS 258 Ca -0.07 -0.91 0.05 0.00 -1.56 0.00 0.00 55.97 53.49 3iha s LYS 258 Cb -0.03 -1.91 -0.04 0.00 -1.46 0.00 0.00 37.83 34.40 3iha s LYS 258 CO 0.05 0.52 0.15 0.45 0.16 0.00 0.00 175.35 176.68 3iha s SER 259 N -0.68 5.54 0.07 1.43 0.15 -1.26 -0.84 113.70 118.10 3iha s SER 259 Ca 0.10 -0.14 0.09 0.00 0.70 0.00 0.00 55.95 56.70 3iha s SER 259 Cb -0.09 -1.45 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 3iha s SER 259 CO -0.00 0.06 -0.25 -0.83 1.20 0.00 0.00 173.24 173.41 3iha s GLY 260 N -3.20 1.48 0.00 9.45 0.00 0.17 -3.72 107.32 111.50 3iha s GLY 260 Ca 0.31 -1.32 0.18 0.00 0.00 0.00 0.00 44.72 43.90 3iha s GLY 260 CO 0.24 -1.23 1.51 3.33 0.00 0.00 0.00 173.10 176.95 3iha n VAL 261 N 1.49 0.15 0.96 1.40 0.24 -1.26 -1.73 118.33 119.58 3iha n VAL 261 Ca -0.17 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.29 3iha n VAL 261 Cb 0.52 -0.75 0.27 0.00 -1.47 0.00 0.00 33.84 32.41 3iha n VAL 261 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iha n ALA 262 N -1.09 3.41 0.00 2.33 0.00 -1.26 -4.21 120.51 119.69 3iha n ALA 262 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3iha n ALA 262 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3iha n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iha n GLY 263 N 1.48 1.18 3.87 0.00 0.00 -0.71 -4.31 105.19 106.71 3iha n GLY 263 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.81 2.02 -0.02 -0.02 0.00 -1.23 -1.06 107.32 105.19 3iha s GLY 264 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3iha s GLY 264 CO 0.00 0.01 -0.00 0.14 0.00 0.00 0.00 173.10 173.25 3iha s VAL 265 N -2.27 0.18 -0.03 1.40 1.01 -0.36 0.42 120.40 120.74 3iha s VAL 265 Ca 0.51 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 3iha s VAL 265 Cb -0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 3iha s VAL 265 CO 0.28 0.13 0.05 -0.22 0.00 0.00 0.00 175.10 175.35 3iha s LEU 266 N 0.85 3.80 0.01 3.92 0.20 -0.02 -1.68 118.68 125.75 3iha s LEU 266 Ca -0.09 0.15 -0.03 0.00 0.69 0.00 0.00 54.13 54.85 3iha s LEU 266 Cb -0.12 -2.10 -0.01 0.00 -0.43 0.00 0.00 46.19 43.54 3iha s LEU 266 CO -0.01 0.31 0.06 -0.83 -0.29 0.00 0.00 176.35 175.58 3iha s GLY 267 N -1.44 0.12 -0.31 7.98 0.00 -0.97 -2.03 107.32 110.67 3iha s GLY 267 Ca 0.19 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.66 3iha s GLY 267 CO 0.10 -0.39 0.49 0.00 0.00 0.00 0.00 173.10 173.29 3iha s ALA 268 N -1.25 -1.65 -0.47 3.20 0.00 -0.47 -1.07 121.76 120.06 3iha s ALA 268 Ca -0.14 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 3iha s ALA 268 Cb -0.08 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.79 3iha s ALA 268 CO 0.00 -1.85 0.55 -1.17 0.00 0.00 0.00 175.76 173.29 3iha s LEU 269 N 2.49 4.92 -0.47 0.00 2.96 -0.89 -4.18 118.68 123.50 3iha s LEU 269 Ca 0.11 -0.78 -0.43 0.00 -0.22 0.00 0.00 54.13 52.81 3iha s LEU 269 Cb -0.11 -2.45 -0.18 0.00 0.50 0.00 0.00 46.19 43.95 3iha s LEU 269 CO -0.25 -0.76 1.82 -2.65 -1.32 0.00 0.00 176.35 173.20 3iha n PRO 270 N 5.92 0.00 -1.02 0.98 -0.02 -1.26 -1.33 135.00 138.27 3iha n PRO 270 Ca -0.06 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.41 3iha n PRO 270 Cb 0.46 -1.42 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 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 5.77 0.49 0.83 -1.23 0.00 0.18 -4.88 105.19 106.34 3iha n GLY 271 Ca 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.70 0.00 -3.62 1.61 1.74 -0.44 -4.95 116.66 108.31 3iha n ARG 272 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 3iha n ARG 272 Cb 0.06 -0.34 -0.06 0.00 -1.02 0.00 0.00 32.46 31.10 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 -1.51 0.00 -0.09 1.55 0.11 -1.11 -4.21 120.40 115.14 3iha s VAL 273 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 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 0.20 -0.83 -3.33 0.00 0.00 175.10 171.14 3iha s GLY 274 N -0.38 2.23 0.12 6.54 0.00 0.33 -2.10 107.32 114.07 3iha s GLY 274 Ca 0.03 -0.55 0.08 0.00 0.00 0.00 0.00 44.72 44.28 3iha s GLY 274 CO -0.05 -0.26 -0.18 -0.42 0.00 0.00 0.00 173.10 172.18 3iha s ILE 275 N -1.04 1.64 -0.08 0.90 1.01 -0.23 -1.07 121.20 122.32 3iha s ILE 275 Ca 0.17 -1.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.09 3iha s ILE 275 Cb -0.13 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.76 3iha s ILE 275 CO 0.06 -0.22 0.19 -0.83 0.00 0.00 0.00 174.94 174.15 3iha s GLY 276 N -2.24 -0.11 0.04 6.18 0.00 -0.89 -2.29 107.32 108.00 3iha s GLY 276 Ca 0.09 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.53 3iha s GLY 276 CO 0.05 0.84 -0.05 0.14 0.00 0.00 0.00 173.10 174.07 3iha s VAL 277 N 0.73 0.36 -0.12 1.40 1.01 -0.68 -0.74 120.40 122.35 3iha s VAL 277 Ca -0.05 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 3iha s VAL 277 Cb -0.07 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.70 3iha s VAL 277 CO -0.04 -0.54 0.25 0.12 0.00 0.00 0.00 175.10 174.90 3iha s PHE 278 N -1.88 -0.39 -0.36 5.22 5.36 -0.97 -1.22 117.98 123.74 3iha s PHE 278 Ca -0.09 0.91 0.03 0.00 -0.96 0.00 0.00 56.93 56.82 3iha s PHE 278 Cb -0.07 -0.02 0.19 0.00 -0.34 0.00 0.00 43.02 42.78 3iha s PHE 278 CO -0.02 -0.32 0.73 0.45 -1.46 0.00 0.00 175.22 174.61 3iha s SER 279 N 2.07 -1.26 0.10 6.13 0.15 -0.22 -2.02 113.70 118.66 3iha s SER 279 Ca -0.02 -0.43 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 3iha s SER 279 Cb -0.12 1.64 0.09 0.00 -1.71 0.00 0.00 66.02 65.93 3iha s SER 279 CO -0.08 -0.16 0.68 -2.65 1.20 0.00 0.00 173.24 172.23 3iha n PRO 280 N 4.51 -0.11 -1.91 5.44 -0.02 -1.26 -4.50 135.00 137.14 3iha n PRO 280 Ca 0.09 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 3iha n PRO 280 Cb 0.58 -1.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.02 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 -5.40 4.21 0.05 -0.52 0.52 -1.26 -4.34 118.95 112.20 3iha s ARG 281 Ca -0.06 2.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.55 3iha s ARG 281 Cb 0.09 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 3iha s ARG 281 CO 0.31 -0.61 0.16 -0.51 0.02 0.00 0.00 175.30 174.67 3iha s LEU 282 N 1.01 4.17 0.00 2.53 1.43 0.49 -1.72 118.68 126.58 3iha s LEU 282 Ca 0.70 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3iha s LEU 282 Cb -0.44 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.06 3iha s LEU 282 CO 0.32 0.20 0.00 -0.90 0.23 0.00 0.00 176.35 176.20 3iha n ASP 283 N 0.53 0.00 0.11 2.29 5.68 0.11 -1.45 116.55 123.82 3iha n ASP 283 Ca -0.08 -0.19 0.12 0.00 -0.50 0.00 0.00 54.79 54.14 3iha n ASP 283 Cb 0.52 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.96 3iha n ASP 283 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3iha n GLU 284 N -0.19 0.19 -0.04 0.11 2.13 -1.26 -2.96 120.64 118.61 3iha n GLU 284 Ca 0.00 0.37 0.05 0.00 0.66 0.00 0.00 57.16 58.24 3iha n GLU 284 Cb 0.00 -1.83 0.06 0.00 0.27 0.00 0.00 31.44 29.95 3iha n GLU 284 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3iha n VAL 285 N -2.17 0.29 0.00 6.31 0.24 -1.26 -5.00 118.33 116.74 3iha n VAL 285 Ca 0.03 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3iha n VAL 285 Cb 0.26 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 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 0.46 0.38 3.94 7.63 0.00 -1.15 -5.10 105.19 111.35 3iha n GLY 286 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.22 4.33 -0.37 1.61 0.01 -1.26 -4.61 114.94 112.42 3iha s ASN 287 Ca 0.00 0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 52.08 3iha s ASN 287 Cb 0.00 -0.67 0.02 0.00 0.41 0.00 0.00 41.25 41.00 3iha s ASN 287 CO 0.00 -1.91 1.19 -0.55 -1.51 0.00 0.00 177.10 174.32 3iha s SER 288 N -4.65 6.71 0.00 -1.22 0.15 -1.26 0.08 113.70 113.51 3iha s SER 288 Ca 0.65 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.20 3iha s SER 288 Cb -0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3iha s SER 288 CO 0.46 -1.10 0.95 0.00 1.20 0.00 0.00 173.24 174.76 3iha n ALA 289 N 7.56 -0.25 0.27 5.45 0.00 -0.70 0.52 120.51 133.36 3iha n ALA 289 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.68 3iha n ALA 289 Cb 0.48 0.22 0.74 0.00 0.00 0.00 0.00 19.45 20.88 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 -0.17 0.00 3.08 -1.86 -1.64 114.38 113.79 3iha h ARG 290 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3iha h ARG 290 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iha h ARG 290 CO 0.00 0.04 -0.05 0.78 -1.07 0.00 0.00 179.97 179.67 3iha h GLY 291 N 0.19 0.36 1.76 0.04 0.00 -1.74 0.32 103.07 104.00 3iha h GLY 291 Ca -0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3iha h GLY 291 CO 0.01 0.28 -0.27 -2.08 0.00 0.00 0.00 176.54 174.48 3iha h VAL 292 N 0.03 1.25 -0.21 4.60 2.07 0.56 -2.87 116.25 121.68 3iha h VAL 292 Ca 0.04 -1.19 -0.19 0.00 0.82 0.00 0.00 66.70 66.18 3iha h VAL 292 Cb 0.51 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3iha h VAL 292 CO 0.02 0.36 -0.62 0.25 0.02 0.00 0.00 177.57 177.60 3iha h LEU 293 N 0.26 0.91 -0.83 2.57 5.85 -1.18 -2.73 115.31 120.16 3iha h LEU 293 Ca 0.04 -0.58 0.14 0.00 0.84 0.00 0.00 57.88 58.31 3iha h LEU 293 Cb 0.62 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 3iha h LEU 293 CO 0.04 1.33 0.42 0.00 -0.34 0.00 0.00 178.44 179.90 3iha h ALA 294 N 0.60 1.23 -0.42 1.25 0.00 -0.71 -0.03 119.26 121.18 3iha h ALA 294 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3iha h ALA 294 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3iha h ALA 294 CO 0.13 -0.08 -0.22 0.00 0.00 0.00 0.00 179.25 179.08 3iha h ARG 296 N 0.73 -0.44 0.08 0.00 2.43 -0.74 -1.34 114.38 115.10 3iha h ARG 296 Ca 0.10 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3iha h ARG 296 Cb 0.75 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3iha h ARG 296 CO 0.06 -0.29 -0.15 0.00 -1.51 0.00 0.00 179.97 178.08 3iha h ARG 297 N -0.46 -0.24 -0.99 0.20 2.47 -1.09 -1.23 114.38 113.05 3iha h ARG 297 Ca -0.03 0.02 0.28 0.00 -1.26 0.00 0.00 59.98 58.98 3iha h ARG 297 Cb 0.38 0.05 -0.18 0.00 -1.65 0.00 0.00 29.97 28.57 3iha h ARG 297 CO 0.03 -0.16 0.04 1.28 0.56 0.00 0.00 179.97 181.72 3iha n LEU 298 N -3.25 -0.10 0.21 3.04 4.77 -0.63 0.10 117.00 121.14 3iha n LEU 298 Ca -0.03 1.68 0.05 0.00 -0.03 0.00 0.00 56.01 57.68 3iha n LEU 298 Cb 0.12 -0.62 0.47 0.00 -2.33 0.00 0.00 43.42 41.07 3iha n LEU 298 CO 0.06 -1.71 0.84 -1.28 -1.33 0.00 0.00 177.39 173.97 3iha h SER 299 N 0.00 0.00 0.11 -1.43 0.87 -0.60 -2.24 113.55 110.26 3iha h SER 299 Ca 0.61 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.84 3iha h SER 299 Cb 1.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3iha h SER 299 CO -0.92 0.25 -1.75 -0.33 -0.53 0.00 0.00 176.83 173.55 3iha h GLU 300 N 0.00 0.23 0.00 2.24 5.08 0.18 -2.89 114.58 119.42 3iha h GLU 300 Ca -0.00 -0.39 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 3iha h GLU 300 Cb 0.47 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3iha h GLU 300 CO 0.03 1.19 -0.67 -0.44 -1.00 0.00 0.00 179.01 178.12 3iha h ASP 301 N -0.18 0.00 -0.09 1.42 3.32 -0.81 -3.29 116.42 116.79 3iha h ASP 301 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3iha h ASP 301 Cb 1.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.42 3iha h ASP 301 CO 0.04 0.67 0.00 0.49 -1.72 0.00 0.00 179.24 178.72 3iha n PHE 302 N -3.71 0.11 -3.16 4.55 0.99 -0.84 -4.98 117.46 110.42 3iha n PHE 302 Ca -0.01 -0.15 -0.22 0.00 -0.00 0.00 0.00 57.45 57.07 3iha n PHE 302 Cb 0.67 -0.01 0.01 0.00 -1.00 0.00 0.00 39.48 39.15 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 0.45 -4.07 -1.40 -1.08 5.12 -1.10 -4.83 116.66 109.75 3iha n ARG 303 Ca 0.06 0.69 -0.39 0.00 -1.93 0.00 0.00 57.85 56.28 3iha n ARG 303 Cb 0.27 -5.47 -0.03 0.00 -1.16 0.00 0.00 32.46 26.08 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 -3.84 8.56 -4.84 0.55 4.77 -1.16 -4.78 117.00 116.26 3iha n LEU 304 Ca -0.07 -4.39 -0.28 0.00 -0.03 0.00 0.00 56.01 51.24 3iha n LEU 304 Cb 0.58 -1.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.07 3iha n LEU 304 CO 0.48 1.99 -0.19 -2.28 -1.33 0.00 0.00 177.39 176.05 3iha s HIS 305 N 2.02 3.29 0.27 -1.77 2.46 -1.26 -4.49 115.29 115.80 3iha s HIS 305 Ca 0.67 0.08 0.14 0.00 0.47 0.00 0.00 55.06 56.42 3iha s HIS 305 Cb 0.18 -1.61 0.59 0.00 -0.13 0.00 0.00 32.58 31.61 3iha s HIS 305 CO -0.06 0.53 1.72 1.25 -2.47 0.00 0.00 174.74 175.70 3iha h LEU 306 N 2.69 0.00 -0.63 8.88 5.85 -1.48 -2.79 115.31 127.82 3iha h LEU 306 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3iha h LEU 306 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3iha h LEU 306 CO 0.67 0.46 -0.07 0.23 -0.34 0.00 0.00 178.44 179.39 3iha n MET 307 N -3.78 1.27 -2.92 1.25 2.81 -1.26 -4.64 117.12 109.85 3iha n MET 307 Ca -0.01 -0.63 -0.44 0.00 -1.81 0.00 0.00 57.70 54.81 3iha n MET 307 Cb 0.52 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.51 3iha n MET 307 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3iha s ASP 308 N -2.17 6.56 0.49 7.83 1.01 -1.05 -5.01 116.67 124.32 3iha s ASP 308 Ca 0.35 -1.89 -0.19 0.00 0.71 0.00 0.00 52.55 51.53 3iha s ASP 308 Cb 0.21 -2.40 -0.14 0.00 1.01 0.00 0.00 42.92 41.59 3iha s ASP 308 CO 0.40 -1.12 0.01 0.61 0.21 0.00 0.00 175.17 175.28 3iha n GLY 309 N 5.49 -2.89 2.74 0.21 0.00 -1.26 -4.80 105.19 104.67 3iha n GLY 309 Ca 0.20 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 2.21 -2.80 -5.00 1.61 -0.08 -1.26 -5.14 116.55 106.09 3iha n ASP 310 Ca 0.09 -2.97 -0.22 0.00 -1.51 0.00 0.00 54.79 50.18 3iha n ASP 310 Cb 0.46 1.66 0.05 0.00 2.34 0.00 0.00 41.12 45.62 3iha n ASP 310 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3iha s SER 311 N -0.89 4.91 -0.20 1.67 0.01 -1.26 -5.05 113.70 112.90 3iha s SER 311 Ca 0.31 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.47 3iha s SER 311 Cb 0.17 0.46 -0.20 0.00 0.21 0.00 0.00 66.02 66.66 3iha s SER 311 CO -0.18 -1.35 0.08 -0.11 0.41 0.00 0.00 173.24 172.09 3iha n LEU 312 N -2.16 2.47 0.00 2.44 7.94 -1.26 -5.03 117.00 121.40 3iha n LEU 312 Ca 0.12 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 3iha n LEU 312 Cb 0.63 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.58 3iha n LEU 312 CO 0.39 0.72 0.00 0.61 -1.11 0.00 0.00 177.39 178.00 3iha n GLY 313 N 1.84 3.24 0.00 -3.96 0.00 -1.26 -1.52 105.19 103.52 3iha n GLY 313 Ca -0.39 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.49 3iha n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iha n GLY 314 N 0.00 -0.96 0.00 -0.02 0.00 -1.20 -2.78 105.19 100.23 3iha n GLY 314 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.00 3iha n GLY 314 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iha n THR 315 N -1.41 0.00 0.17 2.61 -1.04 -0.58 -1.38 114.28 112.65 3iha n THR 315 Ca 0.05 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.13 3iha n THR 315 Cb 0.16 -0.47 0.08 0.00 -1.82 0.00 0.00 70.33 68.28 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 2.53 0.79 -1.85 2.41 0.00 -1.69 -3.40 119.26 118.05 3iha h ALA 316 Ca 0.00 -0.29 -0.67 0.00 0.00 0.00 0.00 54.91 53.95 3iha h ALA 316 Cb 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.57 3iha h ALA 316 CO 0.00 0.39 0.45 0.08 0.00 0.00 0.00 179.25 180.17 3iha s VAL 317 N -3.06 4.64 0.27 0.00 1.01 -0.48 -0.12 120.40 122.66 3iha s VAL 317 Ca 0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3iha s VAL 317 Cb 0.07 -4.64 0.27 0.00 0.00 0.00 0.00 36.38 32.08 3iha s VAL 317 CO 0.72 -1.34 1.91 -0.09 0.00 0.00 0.00 175.10 176.30 3iha h ARG 318 N 9.20 1.21 0.00 2.72 2.43 -0.78 -3.02 114.38 126.14 3iha h ARG 318 Ca -0.17 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3iha h ARG 318 Cb 1.06 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3iha h ARG 318 CO 1.12 0.80 0.00 1.97 -1.51 0.00 0.00 179.97 182.35 3iha n PHE 319 N -4.44 0.00 -3.95 2.20 -1.74 -1.24 -4.76 117.46 103.53 3iha n PHE 319 Ca 0.13 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.72 3iha n PHE 319 Cb 0.09 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 40.94 3iha n PHE 319 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3iha s VAL 320 N -2.00 1.62 -0.28 1.97 1.01 -1.26 -3.19 120.40 118.28 3iha s VAL 320 Ca 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 61.98 60.54 3iha s VAL 320 Cb 0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3iha s VAL 320 CO 0.00 -0.17 0.07 -1.61 0.00 0.00 0.00 175.10 173.38 3iha s GLU 321 N 1.34 3.28 -1.13 2.72 0.41 -0.90 -4.79 118.70 119.63 3iha s GLU 321 Ca -0.04 -0.73 -0.06 0.00 -0.41 0.00 0.00 54.97 53.74 3iha s GLU 321 Cb -0.19 -3.33 0.28 0.00 -1.78 0.00 0.00 34.13 29.11 3iha s GLU 321 CO -0.07 -0.35 1.49 -2.13 -0.49 0.00 0.00 175.26 173.70 3iha n ARG 322 N 4.88 4.14 -0.41 1.61 3.00 -1.26 -0.44 116.66 128.18 3iha n ARG 322 Ca -0.15 -4.34 0.34 0.00 -0.00 0.00 0.00 57.85 53.69 3iha n ARG 322 Cb 0.49 -2.61 0.61 0.00 0.00 0.00 0.00 32.46 30.96 3iha n ARG 322 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3iha h GLU 323 N 5.76 0.12 0.00 -0.14 -0.00 -1.95 -3.46 114.58 114.91 3iha h GLU 323 Ca 0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.59 3iha h GLU 323 Cb 0.67 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.39 3iha h GLU 323 CO 1.33 0.08 0.00 0.41 -0.00 0.00 0.00 179.01 180.82 3iha n GLY 324 N -1.46 -1.68 0.08 1.06 0.00 -1.26 -4.99 105.19 96.94 3iha n GLY 324 Ca 0.36 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.95 3iha n GLY 324 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iha n ASP 325 N 0.00 0.31 -4.54 1.61 4.64 -1.26 -4.86 116.55 112.44 3iha n ASP 325 Ca 0.00 0.14 -0.29 0.00 -1.38 0.00 0.00 54.79 53.25 3iha n ASP 325 Cb 0.00 0.94 -0.10 0.00 -1.04 0.00 0.00 41.12 40.92 3iha n ASP 325 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3iha s ARG 326 N -2.89 1.97 -0.08 -0.67 1.70 -1.26 -2.55 118.95 115.17 3iha s ARG 326 Ca -0.07 -1.12 0.02 0.00 -0.47 0.00 0.00 55.73 54.10 3iha s ARG 326 Cb 0.09 -2.21 -0.02 0.00 -0.57 0.00 0.00 34.95 32.24 3iha s ARG 326 CO 0.84 0.49 -0.15 0.08 -1.08 0.00 0.00 175.30 175.48 3iha s VAL 327 N -1.23 2.96 -0.21 4.99 1.01 -0.49 -3.36 120.40 124.07 3iha s VAL 327 Ca 0.20 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3iha s VAL 327 Cb -0.11 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3iha s VAL 327 CO 0.12 0.56 0.02 -0.36 0.00 0.00 0.00 175.10 175.44 3iha s PHE 328 N -0.25 3.05 -0.28 5.22 0.40 0.42 -1.44 117.98 125.11 3iha s PHE 328 Ca 0.01 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 55.85 3iha s PHE 328 Cb -0.13 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.31 3iha s PHE 328 CO 0.03 -0.27 -0.01 -0.51 0.70 0.00 0.00 175.22 175.16 3iha s LEU 329 N 1.14 3.59 -0.25 -0.37 1.43 0.52 -2.12 118.68 122.61 3iha s LEU 329 Ca 0.03 -0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 52.07 3iha s LEU 329 Cb -0.14 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3iha s LEU 329 CO 0.02 -0.19 0.08 -1.00 0.23 0.00 0.00 176.35 175.49 3iha s HIS 330 N 1.34 3.10 0.30 0.29 3.76 -1.19 0.10 115.29 122.99 3iha s HIS 330 Ca -0.01 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 3iha s HIS 330 Cb -0.18 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 3iha s HIS 330 CO -0.02 -0.33 0.46 -0.51 -0.85 0.00 0.00 174.74 173.50 3iha s LEU 331 N 1.61 4.14 0.10 0.89 1.43 0.02 -0.17 118.68 126.71 3iha s LEU 331 Ca 0.06 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3iha s LEU 331 Cb -0.15 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 43.02 3iha s LEU 331 CO 0.04 -0.20 0.44 0.00 0.23 0.00 0.00 176.35 176.86 3iha s GLN 332 N -4.17 1.06 1.39 1.70 -2.07 0.83 -3.51 119.66 114.89 3iha s GLN 332 Ca 0.37 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.35 3iha s GLN 332 Cb -0.09 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 3iha s GLN 332 CO 0.33 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.30 3iha n GLY 333 N -0.03 -1.47 3.33 2.60 0.00 -0.77 -4.45 105.19 104.40 3iha n GLY 333 Ca -0.17 -1.53 -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 4.40 -0.32 1.61 1.01 -1.26 -0.20 120.40 125.64 3iha s VAL 334 Ca 0.00 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 3iha s VAL 334 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3iha s VAL 334 CO 0.00 -0.32 0.57 -0.63 0.00 0.00 0.00 175.10 174.72 3iha s ILE 335 N 1.50 4.98 0.00 2.22 1.01 -0.09 -4.84 121.20 125.98 3iha s ILE 335 Ca 0.02 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.30 3iha s ILE 335 Cb -0.20 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3iha s ILE 335 CO 0.05 -0.15 0.00 0.54 0.00 0.00 0.00 174.94 175.38 3iha n ARG 336 N 5.79 3.65 0.07 2.79 1.74 -1.26 -2.80 116.66 126.64 3iha n ARG 336 Ca -0.03 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 3iha n ARG 336 Cb 0.49 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.88 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 -0.34 -0.69 -1.55 3.57 -1.96 0.30 116.94 116.27 3iha h PHE 337 Ca 0.00 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.64 3iha h PHE 337 Cb 0.00 0.15 -0.13 0.00 2.79 0.00 0.00 35.95 38.76 3iha h PHE 337 CO 0.00 -0.20 -0.28 0.78 -2.23 0.00 0.00 178.31 176.38 3iha h GLY 338 N -0.25 0.18 0.22 2.40 0.00 -1.96 0.25 103.07 103.92 3iha h GLY 338 Ca 0.03 0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 3iha h GLY 338 CO -0.10 -0.24 -0.02 -1.33 0.00 0.00 0.00 176.54 174.85 3iha h GLY 339 N -0.08 -0.05 0.30 4.60 0.00 -1.71 -3.16 103.07 102.97 3iha h GLY 339 Ca 0.30 0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.78 3iha h GLY 339 CO -0.74 -0.02 0.50 0.00 0.00 0.00 0.00 176.54 176.28 3iha h ALA 340 N 0.00 1.35 -0.51 3.60 0.00 -0.81 0.99 119.26 123.88 3iha h ALA 340 Ca -0.01 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iha h ALA 340 Cb 0.69 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3iha h ALA 340 CO 0.01 0.00 0.34 1.49 0.00 0.00 0.00 179.25 181.09 3iha h GLU 341 N 0.73 0.57 -0.03 0.00 4.22 -0.58 -1.18 114.58 118.30 3iha h GLU 341 Ca 0.47 -0.03 -0.21 0.00 0.08 0.00 0.00 59.36 59.67 3iha h GLU 341 Cb 0.61 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3iha h GLU 341 CO -0.33 0.37 -0.86 0.00 -2.18 0.00 0.00 179.01 176.02 3iha h ALA 342 N 1.70 0.44 0.04 2.92 0.00 -0.81 -3.01 119.26 120.55 3iha h ALA 342 Ca 0.20 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3iha h ALA 342 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iha h ALA 342 CO -0.05 0.79 -0.06 0.28 0.00 0.00 0.00 179.25 180.21 3iha h VAL 343 N 0.26 0.86 -0.22 0.00 2.07 -0.31 -0.25 116.25 118.65 3iha h VAL 343 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3iha h VAL 343 Cb 1.47 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3iha h VAL 343 CO 0.15 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.94 3iha h LEU 344 N -0.13 0.00 0.03 2.57 3.38 -1.25 0.22 115.31 120.14 3iha h LEU 344 Ca 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.70 3iha h LEU 344 Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.90 3iha h LEU 344 CO -0.03 0.00 -1.13 0.44 0.09 0.00 0.00 178.44 177.81 3iha h ASP 345 N 0.00 0.83 0.79 -0.43 3.45 -0.96 -2.59 116.42 117.52 3iha h ASP 345 Ca 0.11 -0.72 -0.04 0.00 0.43 0.00 0.00 57.03 56.81 3iha h ASP 345 Cb 0.65 -0.26 0.01 0.00 -0.56 0.00 0.00 39.33 39.17 3iha h ASP 345 CO -0.00 1.52 -0.38 0.00 -1.57 0.00 0.00 179.24 178.81 3iha h ALA 346 N 0.40 -1.06 -0.57 3.45 0.00 0.53 0.46 119.26 122.47 3iha h ALA 346 Ca -0.15 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.64 3iha h ALA 346 Cb 1.79 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 19.89 3iha h ALA 346 CO 0.22 -1.03 -0.06 -0.07 0.00 0.00 0.00 179.25 178.31 3iha h LEU 347 N -1.21 -0.37 -1.19 0.00 3.38 -1.03 -0.06 115.31 114.84 3iha h LEU 347 Ca -0.11 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3iha h LEU 347 Cb 0.83 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3iha h LEU 347 CO 0.18 -0.14 -0.16 0.74 0.09 0.00 0.00 178.44 179.15 3iha h THR 348 N 0.06 1.22 0.00 0.22 2.02 -1.44 -2.88 112.91 112.11 3iha h THR 348 Ca 0.28 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3iha h THR 348 Cb 0.45 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3iha h THR 348 CO -0.53 0.31 0.00 0.47 0.37 0.00 0.00 175.52 176.15 3iha n ASP 349 N -4.21 0.00 -4.64 4.18 10.43 0.15 -4.57 116.55 117.89 3iha n ASP 349 Ca -0.00 -0.89 -0.35 0.00 2.57 0.00 0.00 54.79 56.12 3iha n ASP 349 Cb 0.32 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.18 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 -1.24 3.64 -0.99 0.64 1.43 -1.09 -3.44 118.68 117.64 3iha s LEU 350 Ca 0.06 0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 3iha s LEU 350 Cb 0.03 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3iha s LEU 350 CO 0.04 0.28 1.60 -0.13 0.23 0.00 0.00 176.35 178.37 3iha s ARG 351 N -0.26 3.28 -0.01 1.70 1.81 -1.26 -5.05 118.95 119.16 3iha s ARG 351 Ca 0.07 -0.88 0.04 0.00 -1.72 0.00 0.00 55.73 53.24 3iha s ARG 351 Cb -0.12 -5.27 -0.06 0.00 -0.45 0.00 0.00 34.95 29.05 3iha s ARG 351 CO 0.02 -2.57 0.08 0.25 -0.68 0.00 0.00 175.30 172.40 3iha n THR 352 N 7.19 0.01 0.00 0.02 -2.24 -1.26 -4.84 114.28 113.15 3iha n THR 352 Ca 0.35 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 3iha n THR 352 Cb 0.50 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3iha n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iha n GLY 360 N 2.32 0.00 3.21 3.38 0.00 -1.26 -4.82 105.19 108.02 3iha n GLY 360 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3iha n GLY 360 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3iha s TRP 361 N -0.03 1.35 -0.50 1.61 1.48 -1.26 -5.11 118.94 116.49 3iha s TRP 361 Ca 0.00 -0.48 -0.29 0.00 -1.06 0.00 0.00 56.10 54.27 3iha s TRP 361 Cb 0.00 -0.74 0.03 0.00 -1.16 0.00 0.00 33.47 31.59 3iha s TRP 361 CO 0.00 0.10 1.21 0.34 -4.06 0.00 0.00 176.95 174.55 3iha s ASP 362 N -1.97 6.50 0.43 -2.66 -1.08 -1.26 -4.91 116.67 111.72 3iha s ASP 362 Ca 0.02 0.41 0.16 0.00 -0.52 0.00 0.00 52.55 52.63 3iha s ASP 362 Cb -0.08 -2.55 1.06 0.00 -1.46 0.00 0.00 42.92 39.89 3iha s ASP 362 CO 0.03 -1.38 1.91 0.00 0.52 0.00 0.00 175.17 176.25 3iha h ALA 363 N 9.67 2.14 -0.59 3.66 0.00 -1.99 0.45 119.26 132.59 3iha h ALA 363 Ca -0.24 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3iha h ALA 363 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3iha h ALA 363 CO 1.14 -0.36 0.12 0.00 0.00 0.00 0.00 179.25 180.15 3iha h ALA 364 N 1.64 1.10 0.03 0.00 0.00 -1.99 -3.00 119.26 117.04 3iha h ALA 364 Ca 0.39 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 3iha h ALA 364 Cb 0.92 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3iha h ALA 364 CO -0.13 0.59 -0.97 0.28 0.00 0.00 0.00 179.25 179.03 3iha h VAL 365 N 0.88 1.52 -2.32 0.00 2.07 -1.37 -3.37 116.25 113.66 3iha h VAL 365 Ca 0.19 -2.79 -0.64 0.00 0.82 0.00 0.00 66.70 64.28 3iha h VAL 365 Cb 0.35 2.60 -0.39 0.00 -1.52 0.00 0.00 31.29 32.33 3iha h VAL 365 CO 0.00 0.81 -0.31 -1.22 0.02 0.00 0.00 177.57 176.88 3iha n TYR 366 N -3.60 3.52 -0.30 1.57 4.02 -0.49 -4.88 117.16 117.00 3iha n TYR 366 Ca -0.04 -3.79 0.15 0.00 -0.01 0.00 0.00 57.90 54.20 3iha n TYR 366 Cb 0.87 -0.68 0.40 0.00 -0.02 0.00 0.00 39.34 39.91 3iha n TYR 366 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3iha h PRO 367 N 4.03 0.61 -0.64 -0.72 0.13 -1.72 -1.14 132.00 132.55 3iha h PRO 367 Ca 0.20 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.31 3iha h PRO 367 Cb 0.59 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 3iha h PRO 367 CO 0.93 0.41 0.41 0.00 -0.23 0.00 0.00 178.00 179.51 3iha h ARG 368 N 0.63 0.81 0.00 0.86 2.47 -1.89 -2.16 114.38 115.10 3iha h ARG 368 Ca 0.51 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 59.09 3iha h ARG 368 Cb 0.94 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 3iha h ARG 368 CO -0.26 0.53 -0.41 -1.49 0.56 0.00 0.00 179.97 178.90 3iha h TRP 369 N 0.83 0.00 -0.14 3.04 4.06 -1.60 -1.90 115.95 120.24 3iha h TRP 369 Ca 0.24 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.98 3iha h TRP 369 Cb -0.05 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.12 3iha h TRP 369 CO -0.04 0.41 -0.74 0.37 -3.56 0.00 0.00 178.44 174.89 3iha h GLN 370 N 0.00 0.75 0.37 0.49 4.15 -1.17 -1.34 115.11 118.36 3iha h GLN 370 Ca -0.00 -0.62 -0.02 0.00 0.77 0.00 0.00 58.65 58.78 3iha h GLN 370 Cb 0.74 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3iha h GLN 370 CO 0.05 1.23 -0.18 0.93 -1.93 0.00 0.00 178.83 178.93 3iha h GLU 371 N 0.47 -0.47 -0.93 1.69 5.08 -1.22 0.17 114.58 119.37 3iha h GLU 371 Ca -0.05 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 3iha h GLU 371 Cb 1.37 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.66 3iha h GLU 371 CO 0.15 -0.31 0.60 0.00 -1.00 0.00 0.00 179.01 178.45 3iha h ALA 372 N 0.14 1.61 -0.18 3.43 0.00 -1.38 -0.78 119.26 122.10 3iha h ALA 372 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3iha h ALA 372 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3iha h ALA 372 CO 0.08 0.18 -0.34 0.00 0.00 0.00 0.00 179.25 179.17 3iha h ALA 373 N 1.55 1.09 -1.01 0.00 0.00 -0.73 -3.07 119.26 117.09 3iha h ALA 373 Ca 0.44 -0.38 0.23 0.00 0.00 0.00 0.00 54.91 55.20 3iha h ALA 373 Cb 0.45 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 3iha h ALA 373 CO -0.20 0.57 0.61 0.00 0.00 0.00 0.00 179.25 180.23 3iha h ALA 374 N 1.33 1.78 -2.76 0.00 0.00 0.58 -2.95 119.26 117.24 3iha h ALA 374 Ca 0.04 0.11 -0.74 0.00 0.00 0.00 0.00 54.91 54.31 3iha h ALA 374 Cb 0.76 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.21 3iha h ALA 374 CO 0.06 -0.22 0.11 0.34 0.00 0.00 0.00 179.25 179.53 3iha s ASP 375 N -5.28 6.50 0.47 0.00 -1.08 -1.16 -4.90 116.67 111.22 3iha s ASP 375 Ca -0.11 -3.57 0.21 0.00 -0.52 0.00 0.00 52.55 48.57 3iha s ASP 375 Cb 0.26 -2.04 1.19 0.00 -1.46 0.00 0.00 42.92 40.88 3iha s ASP 375 CO 0.80 -0.26 2.01 0.08 0.52 0.00 0.00 175.17 178.32 3iha h ARG 376 N 6.42 0.00 -0.21 4.34 0.11 -1.71 -1.90 114.38 121.43 3iha h ARG 376 Ca 0.15 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.16 3iha h ARG 376 Cb 0.86 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 3iha h ARG 376 CO 0.90 0.18 -0.17 0.00 0.10 0.00 0.00 179.97 180.97 3iha h ALA 377 N 1.82 0.30 -0.21 0.08 0.00 -1.91 -1.87 119.26 117.48 3iha h ALA 377 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3iha h ALA 377 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iha h ALA 377 CO 0.02 0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.50 3iha h ALA 378 N 0.67 0.28 0.00 0.00 0.00 -1.87 -2.71 119.26 115.63 3iha h ALA 378 Ca 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3iha h ALA 378 Cb 0.71 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iha h ALA 378 CO 0.04 -0.03 -0.12 1.25 0.00 0.00 0.00 179.25 180.39 3iha h LEU 379 N 0.14 0.00 -0.05 0.00 7.12 -1.39 -2.72 115.31 118.40 3iha h LEU 379 Ca 0.06 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.99 3iha h LEU 379 Cb 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 3iha h LEU 379 CO 0.01 0.12 -0.30 -1.28 -0.13 0.00 0.00 178.44 176.86 3iha h SER 380 N 0.00 0.36 0.54 1.25 0.87 -1.06 -2.98 113.55 112.53 3iha h SER 380 Ca -0.00 -0.66 -0.10 0.00 -1.23 0.00 0.00 61.79 59.79 3iha h SER 380 Cb 0.34 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3iha h SER 380 CO 0.02 0.97 -0.48 0.00 -0.53 0.00 0.00 176.83 176.80 3iha h ALA 381 N 0.40 1.15 0.00 6.23 0.00 -1.38 0.75 119.26 126.41 3iha h ALA 381 Ca -0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3iha h ALA 381 Cb 0.96 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3iha h ALA 381 CO 0.06 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 179.62 3iha h ALA 382 N 1.52 1.05 0.00 0.00 0.00 -1.55 -3.33 119.26 116.94 3iha h ALA 382 Ca -0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 3iha h ALA 382 Cb 0.88 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3iha h ALA 382 CO 0.06 0.37 -1.90 0.25 0.00 0.00 0.00 179.25 178.03 3iha n THR 383 N -3.52 0.90 0.00 0.00 -2.24 -0.91 -5.07 114.28 103.44 3iha n THR 383 Ca -0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3iha n THR 383 Cb 0.45 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 2.25 1.60 2.62 3.38 0.00 0.26 -5.04 105.19 110.26 3iha n GLY 384 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.14 5.57 0.66 -0.02 0.00 -1.16 -3.24 105.19 105.86 3iha n GLY 385 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 0.50 0.20 2.87 -0.02 0.00 -1.21 -2.78 105.19 104.75 3iha n GLY 386 Ca 0.53 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 0.94 4.79 -0.06 4.61 0.00 -1.14 -4.71 120.51 124.94 3iha n ALA 387 Ca 0.00 -4.71 -0.14 0.00 0.00 0.00 0.00 53.44 48.60 3iha n ALA 387 Cb 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 3iha n ALA 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iha n VAL 388 N -0.14 1.57 0.00 0.00 0.31 -1.12 -3.90 118.33 115.06 3iha n VAL 388 Ca 0.32 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3iha n VAL 388 Cb 0.38 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 3iha n VAL 388 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iha n HIS 389 N -3.11 0.00 0.74 3.52 -0.00 -1.26 -0.01 115.22 115.10 3iha n HIS 389 Ca -0.30 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.55 3iha n HIS 389 Cb 1.07 -0.45 0.48 0.00 -0.00 0.00 0.00 29.99 31.08 3iha n HIS 389 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3iha n GLU 390 N -1.45 0.17 -0.06 -1.40 1.02 -1.25 -2.53 120.64 115.14 3iha n GLU 390 Ca 0.00 0.15 -0.04 0.00 -0.02 0.00 0.00 57.16 57.25 3iha n GLU 390 Cb 0.03 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 29.71 3iha n GLU 390 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iha h ALA 391 N 2.67 0.00 -0.26 0.62 0.00 -0.68 -2.64 119.26 118.97 3iha h ALA 391 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3iha h ALA 391 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3iha h ALA 391 CO 0.00 0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.51 3iha h ALA 392 N -0.73 2.00 0.00 0.00 0.00 -1.62 0.22 119.26 119.13 3iha h ALA 392 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3iha h ALA 392 Cb 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3iha h ALA 392 CO -0.00 -0.38 -0.66 0.00 0.00 0.00 0.00 179.25 178.21 3iha h ALA 393 N 1.75 0.66 -0.19 0.00 0.00 -1.56 -2.52 119.26 117.39 3iha h ALA 393 Ca 0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 3iha h ALA 393 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3iha h ALA 393 CO -0.00 0.82 -0.37 0.00 0.00 0.00 0.00 179.25 179.71 3iha h ALA 394 N 1.34 1.01 -0.33 0.00 0.00 -0.18 -2.44 119.26 118.66 3iha h ALA 394 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iha h ALA 394 Cb 1.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3iha h ALA 394 CO 0.09 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3iha n ALA 395 N -2.49 2.46 0.57 0.00 0.00 -1.08 -4.94 120.51 115.02 3iha n ALA 395 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3iha n ALA 395 Cb 0.47 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3iha n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iha n ALA 396 N 0.89 1.73 -2.56 0.00 0.00 -0.92 -4.90 120.51 114.75 3iha n ALA 396 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 3iha n ALA 396 Cb 0.45 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 3iha n ALA 396 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iha s PRO 403 N -1.39 3.18 -0.19 0.00 0.04 -1.26 -5.07 135.00 130.31 3iha s PRO 403 Ca 0.00 -0.91 -0.22 0.00 0.04 0.00 0.00 61.00 59.91 3iha s PRO 403 Cb 0.00 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 3iha s PRO 403 CO 0.00 0.11 0.68 0.42 0.04 0.00 0.00 177.00 178.26 3iha s ILE 404 N -2.17 4.98 -0.01 0.56 1.01 -1.26 -4.76 121.20 119.56 3iha s ILE 404 Ca 0.43 1.30 0.01 0.00 0.00 0.00 0.00 60.65 62.39 3iha s ILE 404 Cb -0.09 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 3iha s ILE 404 CO 0.31 0.08 0.02 0.54 0.00 0.00 0.00 174.94 175.89 3iha n ARG 405 N 5.15 1.68 -3.81 2.79 1.74 -1.06 -4.90 116.66 118.25 3iha n ARG 405 Ca 0.00 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3iha n ARG 405 Cb 0.49 -0.90 -0.14 0.00 -1.02 0.00 0.00 32.46 30.90 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 -1.80 -0.02 -0.09 0.55 2.01 -1.26 -0.45 115.64 114.58 3iha s THR 406 Ca -0.00 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.12 3iha s THR 406 Cb 0.00 -0.12 0.01 0.00 0.01 0.00 0.00 72.50 72.40 3iha s THR 406 CO 0.03 0.04 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.13 3iha s VAL 407 N 0.52 1.59 -0.23 3.82 1.01 -0.68 -1.39 120.40 125.04 3iha s VAL 407 Ca -0.04 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3iha s VAL 407 Cb -0.06 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3iha s VAL 407 CO -0.02 0.46 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 3iha s VAL 408 N 0.63 3.92 -0.56 2.92 1.01 -0.52 -1.41 120.40 126.39 3iha s VAL 408 Ca -0.14 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 3iha s VAL 408 Cb -0.16 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.51 3iha s VAL 408 CO 0.04 0.39 0.63 -0.76 0.00 0.00 0.00 175.10 175.41 3iha s LEU 409 N 1.38 5.43 -0.19 3.92 1.43 0.82 -0.36 118.68 131.12 3iha s LEU 409 Ca 0.05 -1.37 -0.21 0.00 -1.03 0.00 0.00 54.13 51.57 3iha s LEU 409 Cb -0.15 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 3iha s LEU 409 CO 0.01 -0.99 0.63 0.21 0.23 0.00 0.00 176.35 176.43 3iha s ASN 410 N 3.34 6.70 -0.14 2.29 3.84 0.28 -0.88 114.94 130.38 3iha s ASN 410 Ca 0.10 0.85 0.18 0.00 0.21 0.00 0.00 52.86 54.20 3iha s ASN 410 Cb -0.24 -2.35 0.30 0.00 -0.55 0.00 0.00 41.25 38.41 3iha s ASN 410 CO 0.07 -0.26 1.15 0.18 -2.79 0.00 0.00 177.10 175.45 3iha n LEU 411 N 4.97 2.33 0.21 3.21 4.77 -0.88 -0.80 117.00 130.80 3iha n LEU 411 Ca -0.01 -3.13 0.05 0.00 -0.03 0.00 0.00 56.01 52.88 3iha n LEU 411 Cb 0.50 -0.43 0.44 0.00 -2.33 0.00 0.00 43.42 41.60 3iha n LEU 411 CO 0.44 0.78 0.81 0.00 -1.33 0.00 0.00 177.39 178.08 3iha h ALA 412 N 0.11 1.47 -0.44 -1.18 0.00 -1.83 -2.96 119.26 114.43 3iha h ALA 412 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iha h ALA 412 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3iha h ALA 412 CO 0.00 0.35 0.00 0.54 0.00 0.00 0.00 179.25 180.14 3iha n ARG 413 N -4.11 2.35 -3.17 0.00 5.12 -1.25 -4.86 116.66 110.74 3iha n ARG 413 Ca -0.02 -2.06 -0.42 0.00 -1.93 0.00 0.00 57.85 53.42 3iha n ARG 413 Cb 0.34 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 30.08 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 -1.42 4.92 0.10 1.55 1.01 -1.12 -1.85 120.40 123.59 3iha s VAL 414 Ca 0.39 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 3iha s VAL 414 Cb 0.21 -4.08 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 3iha s VAL 414 CO 0.29 -0.39 1.74 0.44 0.00 0.00 0.00 175.10 177.19 3iha h ASP 415 N 8.62 0.07 -4.94 3.32 3.32 -0.92 -3.46 116.42 122.43 3iha h ASP 415 Ca -0.26 -0.01 0.14 0.00 0.02 0.00 0.00 57.03 56.91 3iha h ASP 415 Cb 1.11 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 40.52 3iha h ASP 415 CO 0.83 0.06 0.49 0.00 -1.72 0.00 0.00 179.24 178.90 3iha s ARG 416 N -6.15 0.97 -0.14 3.56 1.70 -1.19 -5.02 118.95 112.68 3iha s ARG 416 Ca -0.13 -0.44 -0.05 0.00 -0.47 0.00 0.00 55.73 54.64 3iha s ARG 416 Cb 0.07 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.90 3iha s ARG 416 CO 0.67 -0.43 0.26 -1.50 -1.08 0.00 0.00 175.30 173.22 3iha s ILE 417 N -3.18 -0.42 1.10 4.99 2.07 -1.26 -0.92 121.20 123.58 3iha s ILE 417 Ca 0.08 0.23 -0.13 0.00 -1.41 0.00 0.00 60.65 59.42 3iha s ILE 417 Cb -0.01 -0.48 0.25 0.00 0.13 0.00 0.00 42.46 42.34 3iha s ILE 417 CO -0.05 0.08 1.06 1.51 -1.91 0.00 0.00 174.94 175.63 3iha s ASP 418 N 2.42 1.63 0.22 4.50 -4.77 -1.12 -4.65 116.67 114.90 3iha s ASP 418 Ca 0.02 1.35 -0.09 0.00 -3.30 0.00 0.00 52.55 50.53 3iha s ASP 418 Cb -0.12 -2.08 0.35 0.00 -1.09 0.00 0.00 42.92 39.97 3iha s ASP 418 CO -0.09 -3.77 1.68 0.44 0.70 0.00 0.00 175.17 174.13 3iha h ASP 419 N -2.33 -0.13 -0.88 2.11 3.32 -2.00 -0.87 116.42 115.65 3iha h ASP 419 Ca -0.59 0.14 0.08 0.00 0.02 0.00 0.00 57.03 56.68 3iha h ASP 419 Cb 1.33 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 41.05 3iha h ASP 419 CO 0.54 -0.07 0.57 0.58 -1.72 0.00 0.00 179.24 179.14 3iha h VAL 420 N 0.19 1.03 -0.16 -1.35 2.07 -1.93 -2.03 116.25 114.07 3iha h VAL 420 Ca 0.35 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3iha h VAL 420 Cb 0.58 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3iha h VAL 420 CO -0.50 0.17 -0.02 1.23 0.02 0.00 0.00 177.57 178.48 3iha h GLY 421 N 0.94 0.31 0.19 2.17 0.00 -1.41 -1.94 103.07 103.34 3iha h GLY 421 Ca 0.39 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.50 3iha h GLY 421 CO -0.15 0.22 -0.46 3.21 0.00 0.00 0.00 176.54 179.36 3iha h ARG 422 N 0.01 -0.64 -0.60 4.80 3.08 -0.91 0.57 114.38 120.68 3iha h ARG 422 Ca 0.04 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.22 3iha h ARG 422 Cb 0.42 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 3iha h ARG 422 CO 0.01 -0.43 0.24 0.00 -1.07 0.00 0.00 179.97 178.72 3iha h ARG 423 N -0.67 0.43 -0.51 0.04 3.08 -1.39 0.20 114.38 115.55 3iha h ARG 423 Ca 0.02 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3iha h ARG 423 Cb 0.70 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3iha h ARG 423 CO -0.28 0.28 0.01 -0.07 -1.07 0.00 0.00 179.97 178.84 3iha h LEU 424 N 0.44 0.82 0.00 3.04 3.38 -0.87 0.08 115.31 122.20 3iha h LEU 424 Ca 0.30 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3iha h LEU 424 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3iha h LEU 424 CO -0.28 0.88 -0.63 0.40 0.09 0.00 0.00 178.44 178.91 3iha h ILE 425 N 0.80 0.77 0.51 1.22 2.04 -0.54 -2.14 117.51 120.17 3iha h ILE 425 Ca 0.15 -2.13 -0.02 0.00 1.00 0.00 0.00 64.86 63.86 3iha h ILE 425 Cb 0.46 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3iha h ILE 425 CO 0.02 0.44 -0.24 0.00 0.00 0.00 0.00 178.15 178.36 3iha h ALA 426 N 1.51 -0.68 -0.91 1.87 0.00 -0.33 -1.76 119.26 118.96 3iha h ALA 426 Ca -0.03 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 54.95 3iha h ALA 426 Cb 1.39 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.32 3iha h ALA 426 CO 0.06 -0.64 0.41 1.49 0.00 0.00 0.00 179.25 180.56 3iha h GLU 427 N -1.17 0.39 -0.65 0.00 4.57 -1.06 0.50 114.58 117.15 3iha h GLU 427 Ca -0.07 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3iha h GLU 427 Cb 0.54 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 3iha h GLU 427 CO 0.11 0.26 0.38 0.78 -1.18 0.00 0.00 179.01 179.36 3iha h GLY 428 N 0.40 0.95 0.94 1.92 0.00 -1.28 -1.29 103.07 104.70 3iha h GLY 428 Ca 0.57 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3iha h GLY 428 CO -0.53 0.20 0.08 -2.08 0.00 0.00 0.00 176.54 174.20 3iha h VAL 429 N 0.72 1.24 -0.28 4.60 2.07 0.77 -2.91 116.25 122.47 3iha h VAL 429 Ca 0.28 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3iha h VAL 429 Cb 0.12 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3iha h VAL 429 CO -0.15 0.29 0.18 -0.09 0.02 0.00 0.00 177.57 177.82 3iha h ARG 430 N 0.52 0.32 0.00 1.57 2.43 -0.19 -2.40 114.38 116.64 3iha h ARG 430 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3iha h ARG 430 Cb 0.34 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3iha h ARG 430 CO 0.00 0.21 -0.26 0.00 -1.51 0.00 0.00 179.97 178.42 3iha h ARG 431 N 0.33 0.00 0.01 0.20 3.08 -1.07 -3.22 114.38 113.71 3iha h ARG 431 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3iha h ARG 431 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3iha h ARG 431 CO -0.02 0.00 -0.00 -0.07 -1.07 0.00 0.00 179.97 178.80 3iha h LEU 432 N 0.00 -0.01 -0.69 3.04 3.38 -1.25 -3.29 115.31 116.49 3iha h LEU 432 Ca 0.00 -0.59 0.15 0.00 0.09 0.00 0.00 57.88 57.53 3iha h LEU 432 Cb 0.88 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 3iha h LEU 432 CO 0.00 0.78 0.08 1.56 0.09 0.00 0.00 178.44 180.95 3iha h GLN 433 N -0.99 0.17 -0.45 1.13 4.20 -1.60 1.33 115.11 118.90 3iha h GLN 433 Ca -0.00 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.83 3iha h GLN 433 Cb 0.60 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3iha h GLN 433 CO 0.00 0.12 0.62 0.00 -0.67 0.00 0.00 178.83 178.90 3iha h ALA 434 N 1.61 2.15 -0.27 3.87 0.00 -1.65 0.49 119.26 125.45 3iha h ALA 434 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3iha h ALA 434 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3iha h ALA 434 CO -0.54 -0.85 0.00 -0.25 0.00 0.00 0.00 179.25 177.60 3iha n ASP 435 N -3.39 1.71 -1.20 0.00 8.00 0.46 -4.92 116.55 117.20 3iha n ASP 435 Ca 0.09 -1.89 -0.04 0.00 0.71 0.00 0.00 54.79 53.66 3iha n ASP 435 Cb 0.79 -0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.06 0.53 2.93 0.44 0.00 0.17 -5.05 105.19 105.27 3iha n GLY 436 Ca 0.13 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.06 0.80 0.65 1.61 1.01 -1.21 -4.91 120.40 115.30 3iha s VAL 437 Ca 0.06 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 3iha s VAL 437 Cb -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3iha s VAL 437 CO 0.13 0.29 1.14 -0.60 0.00 0.00 0.00 175.10 176.06 3iha s ARG 438 N 1.00 2.79 -0.27 2.72 3.52 0.41 -3.67 118.95 125.44 3iha s ARG 438 Ca -0.09 1.52 -0.01 0.00 -0.13 0.00 0.00 55.73 57.02 3iha s ARG 438 Cb -0.14 -1.94 0.13 0.00 -1.56 0.00 0.00 34.95 31.44 3iha s ARG 438 CO -0.00 -1.28 0.29 0.08 -0.81 0.00 0.00 175.30 173.58 3iha s VAL 439 N -2.13 -0.41 -0.24 7.11 1.01 -1.26 -1.69 120.40 122.79 3iha s VAL 439 Ca 0.70 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 3iha s VAL 439 Cb -0.23 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3iha s VAL 439 CO 0.39 -0.40 0.10 -1.83 0.00 0.00 0.00 175.10 173.35 3iha s GLU 440 N 2.37 3.81 -0.84 2.72 -1.05 -0.50 -4.99 118.70 120.21 3iha s GLU 440 Ca 0.09 -0.41 -0.14 0.00 -0.15 0.00 0.00 54.97 54.36 3iha s GLU 440 Cb -0.14 -3.38 0.21 0.00 -0.44 0.00 0.00 34.13 30.38 3iha s GLU 440 CO -0.29 -0.07 0.80 0.08 0.95 0.00 0.00 175.26 176.73 3iha s VAL 441 N 1.33 5.56 -1.07 1.83 1.01 -1.26 -0.12 120.40 127.68 3iha s VAL 441 Ca 0.06 -2.43 -0.22 0.00 0.00 0.00 0.00 61.98 59.38 3iha s VAL 441 Cb -0.15 -4.49 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 3iha s VAL 441 CO 0.05 -1.07 1.76 -1.61 0.00 0.00 0.00 175.10 174.23 3iha s GLU 442 N 0.30 3.11 -0.54 2.72 2.02 -0.06 -4.86 118.70 121.38 3iha s GLU 442 Ca 0.19 -1.04 0.04 0.00 0.02 0.00 0.00 54.97 54.19 3iha s GLU 442 Cb -0.10 -5.28 0.14 0.00 0.10 0.00 0.00 34.13 29.00 3iha s GLU 442 CO -0.09 -2.96 0.32 0.34 0.02 0.00 0.00 175.26 172.88 3iha s ASP 443 N 6.12 4.19 0.00 -0.19 2.15 -1.26 -2.08 116.67 125.60 3iha s ASP 443 Ca 0.60 -3.14 0.00 0.00 0.43 0.00 0.00 52.55 50.43 3iha s ASP 443 Cb -0.01 -1.47 0.00 0.00 -0.30 0.00 0.00 42.92 41.14 3iha s ASP 443 CO 0.01 -0.20 0.93 -0.81 -0.17 0.00 0.00 175.17 174.93 3iha n PRO 444 N 2.91 0.00 -2.79 4.34 -0.04 -1.26 -3.53 135.00 134.62 3iha n PRO 444 Ca 0.10 0.81 -0.43 0.00 -0.04 0.00 0.00 63.50 63.95 3iha n PRO 444 Cb 0.34 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3iha n PRO 444 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3iha s GLU 445 N -2.70 3.77 -0.24 0.54 2.02 -1.26 -4.90 118.70 115.93 3iha s GLU 445 Ca 0.00 -1.84 -0.05 0.00 0.02 0.00 0.00 54.97 53.10 3iha s GLU 445 Cb 0.00 -5.15 -0.07 0.00 0.10 0.00 0.00 34.13 29.01 3iha s GLU 445 CO 0.00 -1.95 0.59 0.54 0.02 0.00 0.00 175.26 174.46 3iha n ARG 446 N 7.16 0.00 -0.06 1.61 1.74 -1.23 -4.76 116.66 121.12 3iha n ARG 446 Ca 0.33 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.34 3iha n ARG 446 Cb 0.48 -0.30 -0.07 0.00 -1.02 0.00 0.00 32.46 31.54 3iha n ARG 446 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3iha n ILE 447 N 1.57 0.76 0.00 0.55 5.41 -1.26 -5.21 119.36 121.17 3iha n ILE 447 Ca 0.16 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3iha n ILE 447 Cb 0.02 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.10 3iha n ILE 447 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44