#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3n n PHE -3 N 0.00 0.00 0.00 2.98 3.72 -1.26 -4.84 117.46 118.06 3i3n n PHE -3 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i3n n PHE -3 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i3n n PHE -3 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i3n n GLN -2 N -0.38 0.00 -3.46 -1.08 6.02 -1.26 -4.88 117.38 112.34 3i3n n GLN -2 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 3i3n n GLN -2 Cb 0.00 -1.16 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 3i3n n GLN -2 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3i3n n SER -1 N -0.58 3.04 0.00 1.08 3.41 -1.26 -5.25 113.62 114.06 3i3n n SER -1 Ca 0.00 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 3i3n n SER -1 Cb 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 3i3n n SER -1 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3n n GLU 67 N 1.15 0.00 -3.55 4.33 1.02 -1.26 -5.23 120.64 117.11 3i3n n GLU 67 Ca 0.27 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.32 3i3n n GLU 67 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 3i3n n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i3n s ALA 68 N 0.00 -1.59 -0.02 0.62 0.00 -1.26 -5.18 121.76 114.33 3i3n s ALA 68 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 3i3n s ALA 68 Cb 0.00 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.90 3i3n s ALA 68 CO 0.00 -0.82 0.37 -2.00 0.00 0.00 0.00 175.76 173.30 3i3n s GLU 69 N -3.60 0.73 -0.12 0.00 2.12 -1.26 -5.16 118.70 111.41 3i3n s GLU 69 Ca 0.05 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.20 3i3n s GLU 69 Cb -0.02 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 3i3n s GLU 69 CO -0.07 -0.21 0.08 -0.51 -0.54 0.00 0.00 175.26 174.01 3i3n s ASP 70 N -1.30 5.87 -0.01 -1.70 1.01 -1.26 -5.10 116.67 114.18 3i3n s ASP 70 Ca -0.13 0.28 0.08 0.00 0.71 0.00 0.00 52.55 53.49 3i3n s ASP 70 Cb -0.04 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 3i3n s ASP 70 CO 0.05 0.34 -0.25 0.12 0.21 0.00 0.00 175.17 175.64 3i3n s PHE 71 N -0.65 2.27 -0.17 4.23 5.36 -1.26 -5.11 117.98 122.65 3i3n s PHE 71 Ca 0.12 -0.42 -0.04 0.00 -0.96 0.00 0.00 56.93 55.62 3i3n s PHE 71 Cb -0.12 -1.44 0.08 0.00 -0.34 0.00 0.00 43.02 41.21 3i3n s PHE 71 CO 0.02 -0.01 0.25 -2.00 -1.46 0.00 0.00 175.22 172.02 3i3n s GLU 72 N -0.71 0.18 -0.81 10.12 2.12 -1.26 -5.08 118.70 123.27 3i3n s GLU 72 Ca 0.10 0.44 -0.21 0.00 0.36 0.00 0.00 54.97 55.66 3i3n s GLU 72 Cb -0.10 -0.68 0.09 0.00 0.26 0.00 0.00 34.13 33.70 3i3n s GLU 72 CO -0.00 -0.51 1.08 0.00 -0.54 0.00 0.00 175.26 175.29 3i3n h SER 74 N 9.29 0.00 -0.05 0.00 4.64 -2.06 -1.68 113.55 123.69 3i3n h SER 74 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3i3n h SER 74 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3i3n h SER 74 CO 1.18 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.60 3i3n n SER 75 N -2.69 2.21 -0.10 4.97 3.41 -1.26 -4.76 113.62 115.40 3i3n n SER 75 Ca -0.02 -1.60 -0.07 0.00 -0.26 0.00 0.00 58.87 56.92 3i3n n SER 75 Cb 0.46 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 3i3n n SER 75 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3i3n h HIS 76 N 2.64 -0.69 -0.16 7.33 6.17 -1.72 -2.51 115.15 126.20 3i3n h HIS 76 Ca 0.00 0.05 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 3i3n h HIS 76 Cb 0.58 0.36 -0.01 0.00 2.52 0.00 0.00 27.41 30.86 3i3n h HIS 76 CO 0.02 -0.33 0.04 0.00 0.71 0.00 0.00 177.93 178.37 3i3n h SER 78 N 0.07 1.00 -0.14 0.00 4.64 -1.89 0.22 113.55 117.46 3i3n h SER 78 Ca 0.05 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 3i3n h SER 78 Cb 0.27 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3i3n h SER 78 CO 0.00 0.73 -0.27 -0.33 -0.87 0.00 0.00 176.83 176.10 3i3n h GLU 79 N 1.18 0.60 0.27 4.77 5.08 -1.30 -1.01 114.58 124.18 3i3n h GLU 79 Ca 0.32 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3i3n h GLU 79 Cb -0.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3i3n h GLU 79 CO -0.07 0.81 -0.13 1.25 -1.00 0.00 0.00 179.01 179.87 3i3n h LEU 80 N 0.52 -0.31 -1.86 1.33 5.85 0.11 -1.21 115.31 119.74 3i3n h LEU 80 Ca 0.07 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3i3n h LEU 80 Cb 0.73 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3i3n h LEU 80 CO 0.06 0.05 -0.11 0.77 -0.34 0.00 0.00 178.44 178.86 3i3n h SER 81 N -0.71 0.00 0.01 1.25 4.64 -0.61 -1.68 113.55 116.46 3i3n h SER 81 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3i3n h SER 81 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3i3n h SER 81 CO 0.06 0.11 -0.01 -0.25 -0.87 0.00 0.00 176.83 175.88 3i3n h TRP 82 N 0.00 -0.02 0.00 4.77 2.91 -0.98 -2.58 115.95 120.05 3i3n h TRP 82 Ca -0.00 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 3i3n h TRP 82 Cb 0.22 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 3i3n h TRP 82 CO 0.00 0.36 -0.18 0.00 -1.03 0.00 0.00 178.44 177.60 3i3n h ARG 83 N -0.40 0.00 0.00 2.65 3.08 -0.76 -0.45 114.38 118.50 3i3n h ARG 83 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3i3n h ARG 83 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3i3n h ARG 83 CO 0.00 0.18 -0.20 1.96 -1.07 0.00 0.00 179.97 180.85 3i3n h GLN 84 N 0.00 0.00 0.02 0.04 4.20 -1.26 -1.52 115.11 116.59 3i3n h GLN 84 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3i3n h GLN 84 Cb 0.36 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.16 3i3n h GLN 84 CO 0.02 0.20 -0.82 -0.97 -0.67 0.00 0.00 178.83 176.59 3i3n h ASN 85 N 0.00 0.69 -0.47 1.46 -1.24 -0.71 -1.81 115.58 113.50 3i3n h ASN 85 Ca -0.00 -0.77 0.03 0.00 0.71 0.00 0.00 56.30 56.27 3i3n h ASN 85 Cb 0.87 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.68 3i3n h ASN 85 CO 0.03 1.37 0.31 -0.33 -1.29 0.00 0.00 177.43 177.52 3i3n h GLU 86 N 0.09 0.50 -0.16 6.67 5.08 -0.95 -2.05 114.58 123.75 3i3n h GLU 86 Ca -0.11 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 3i3n h GLU 86 Cb 1.51 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 3i3n h GLU 86 CO 0.16 0.33 -0.25 1.96 -1.00 0.00 0.00 179.01 180.21 3i3n h GLN 87 N 0.52 0.46 -0.40 2.33 4.20 -1.19 -3.01 115.11 118.02 3i3n h GLN 87 Ca 0.19 -0.27 0.08 0.00 0.06 0.00 0.00 58.65 58.71 3i3n h GLN 87 Cb 0.11 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 3i3n h GLN 87 CO -0.05 0.86 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.80 3i3n h ARG 88 N 0.09 0.01 0.00 1.46 2.43 -0.71 -0.13 114.38 117.52 3i3n h ARG 88 Ca 0.02 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3i3n h ARG 88 Cb 0.82 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3i3n h ARG 88 CO 0.06 0.01 -0.03 0.00 -1.51 0.00 0.00 179.97 178.50 3i3n h ARG 89 N 0.01 0.00 -0.09 0.20 3.08 -1.39 -0.55 114.38 115.64 3i3n h ARG 89 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3i3n h ARG 89 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i3n h ARG 89 CO -0.41 0.03 0.00 1.04 -1.07 0.00 0.00 179.97 179.56 3i3n n GLN 90 N -3.56 2.27 -1.26 0.04 6.02 -0.22 -4.94 117.38 115.73 3i3n n GLN 90 Ca -0.03 -1.95 -0.09 0.00 -0.01 0.00 0.00 57.00 54.92 3i3n n GLN 90 Cb 0.12 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 3i3n n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3n n GLY 91 N 1.34 1.05 3.69 1.08 0.00 -0.21 -4.99 105.19 107.14 3i3n n GLY 91 Ca 0.15 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3i3n n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3n s LEU 92 N -2.00 4.23 -0.13 0.99 1.43 -0.25 -3.86 118.68 119.09 3i3n s LEU 92 Ca 0.00 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 3i3n s LEU 92 Cb 0.00 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3i3n s LEU 92 CO 0.00 -0.36 0.00 0.49 0.23 0.00 0.00 176.35 176.71 3i3n n PHE 93 N 4.85 0.00 -2.17 0.29 3.72 -1.26 -4.47 117.46 118.42 3i3n n PHE 93 Ca 0.05 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.08 3i3n n PHE 93 Cb 0.49 -1.74 0.00 0.00 -0.94 0.00 0.00 39.48 37.30 3i3n n PHE 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3n n ASP 95 N -0.83 0.37 -3.64 0.00 5.75 -0.91 -4.97 116.55 112.33 3i3n n ASP 95 Ca 0.09 -1.84 -0.10 0.00 -0.01 0.00 0.00 54.79 52.93 3i3n n ASP 95 Cb 0.48 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 3i3n n ASP 95 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3i3n s ILE 96 N -0.37 0.03 -0.06 2.12 2.07 -0.97 -4.06 121.20 119.97 3i3n s ILE 96 Ca 0.04 -0.54 -0.02 0.00 -1.41 0.00 0.00 60.65 58.71 3i3n s ILE 96 Cb 0.03 -1.34 0.04 0.00 0.13 0.00 0.00 42.46 41.32 3i3n s ILE 96 CO 0.00 -0.14 0.10 -0.89 -1.91 0.00 0.00 174.94 172.11 3i3n s THR 97 N -3.83 -0.17 -0.03 4.00 2.01 -1.24 -2.31 115.64 114.07 3i3n s THR 97 Ca 0.06 0.38 -0.20 0.00 0.31 0.00 0.00 61.69 62.24 3i3n s THR 97 Cb -0.00 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 3i3n s THR 97 CO -0.08 0.16 0.55 -0.76 -0.69 0.00 0.00 174.62 173.81 3i3n s LEU 98 N 2.11 4.39 0.02 4.42 1.43 1.00 -0.82 118.68 131.22 3i3n s LEU 98 Ca 0.03 1.06 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 3i3n s LEU 98 Cb -0.12 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 3i3n s LEU 98 CO -0.04 0.09 -0.20 0.00 0.23 0.00 0.00 176.35 176.43 3i3n n PHE 100 N 2.19 0.00 0.00 0.00 3.01 -1.26 -4.54 117.46 116.86 3i3n n PHE 100 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3i3n n PHE 100 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3i3n n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i3n n GLY 105 N 0.66 0.03 3.82 1.37 0.00 -1.26 -4.98 105.19 104.84 3i3n n GLY 105 Ca 0.00 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 3i3n n GLY 105 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i3n s ARG 106 N -0.84 4.07 -0.02 1.61 3.52 -1.26 -5.07 118.95 120.96 3i3n s ARG 106 Ca 0.00 1.11 0.04 0.00 -0.13 0.00 0.00 55.73 56.75 3i3n s ARG 106 Cb 0.00 -2.15 -0.03 0.00 -1.56 0.00 0.00 34.95 31.21 3i3n s ARG 106 CO 0.00 -0.17 -0.13 -1.21 -0.81 0.00 0.00 175.30 172.98 3i3n s GLU 107 N -3.45 2.42 -0.20 5.12 2.02 -1.26 -4.68 118.70 118.67 3i3n s GLU 107 Ca 0.62 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.84 3i3n s GLU 107 Cb -0.10 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.77 3i3n s GLU 107 CO 0.20 0.60 -0.13 -0.06 0.02 0.00 0.00 175.26 175.89 3i3n s PHE 108 N -0.84 2.89 0.30 1.61 0.08 -0.08 -4.97 117.98 116.96 3i3n s PHE 108 Ca 0.14 -1.42 -0.16 0.00 0.12 0.00 0.00 56.93 55.61 3i3n s PHE 108 Cb -0.11 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.26 3i3n s PHE 108 CO 0.03 -0.71 0.73 1.03 -0.10 0.00 0.00 175.22 176.20 3i3n s ARG 109 N 1.35 4.07 0.13 0.44 0.52 -1.26 -0.00 118.95 124.19 3i3n s ARG 109 Ca 0.04 0.72 -0.26 0.00 -0.52 0.00 0.00 55.73 55.72 3i3n s ARG 109 Cb -0.14 -2.54 0.07 0.00 0.52 0.00 0.00 34.95 32.86 3i3n s ARG 109 CO -0.08 0.21 0.98 0.00 0.02 0.00 0.00 175.30 176.43 3i3n s ALA 110 N -1.87 -1.71 -0.18 2.13 0.00 -0.98 -4.91 121.76 114.24 3i3n s ALA 110 Ca 0.51 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 3i3n s ALA 110 Cb -0.12 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 3i3n s ALA 110 CO 0.18 -1.01 0.15 -1.01 0.00 0.00 0.00 175.76 174.07 3i3n s HIS 111 N -3.21 3.45 0.32 0.00 0.09 -1.26 -2.14 115.29 112.54 3i3n s HIS 111 Ca 0.12 0.39 0.00 0.00 -0.00 0.00 0.00 55.06 55.57 3i3n s HIS 111 Cb -0.01 -2.14 0.53 0.00 -0.00 0.00 0.00 32.58 30.96 3i3n s HIS 111 CO 0.01 0.36 1.96 0.00 -0.00 0.00 0.00 174.74 177.07 3i3n h ARG 112 N 6.37 0.91 -0.62 1.40 3.08 -1.93 -1.90 114.38 121.68 3i3n h ARG 112 Ca -0.43 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 3i3n h ARG 112 Cb 1.17 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 3i3n h ARG 112 CO 0.73 0.64 0.31 0.66 -1.07 0.00 0.00 179.97 181.24 3i3n h SER 113 N 0.92 0.80 -0.00 7.04 4.64 -1.99 -0.40 113.55 124.56 3i3n h SER 113 Ca 0.24 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3i3n h SER 113 Cb -0.03 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3i3n h SER 113 CO -0.04 0.69 -0.00 0.58 -0.87 0.00 0.00 176.83 177.19 3i3n h VAL 114 N 0.84 1.28 -0.10 0.95 2.07 -1.90 -1.79 116.25 117.60 3i3n h VAL 114 Ca 0.21 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3i3n h VAL 114 Cb 0.10 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3i3n h VAL 114 CO -0.03 0.21 -0.24 -0.07 0.02 0.00 0.00 177.57 177.46 3i3n h LEU 115 N -0.35 -0.74 -1.44 2.57 3.38 -1.16 0.23 115.31 117.81 3i3n h LEU 115 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3i3n h LEU 115 Cb 0.35 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3i3n h LEU 115 CO 0.00 -0.29 0.38 0.00 0.09 0.00 0.00 178.44 178.62 3i3n h ALA 116 N 0.60 1.61 -0.04 1.53 0.00 -1.08 -1.25 119.26 120.63 3i3n h ALA 116 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3i3n h ALA 116 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i3n h ALA 116 CO -0.28 0.35 -0.52 0.00 0.00 0.00 0.00 179.25 178.80 3i3n h ALA 117 N 1.64 1.07 -0.17 0.00 0.00 -0.39 -3.20 119.26 118.21 3i3n h ALA 117 Ca 0.22 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3i3n h ALA 117 Cb -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i3n h ALA 117 CO -0.05 0.66 -0.49 0.00 0.00 0.00 0.00 179.25 179.37 3i3n h ALA 118 N 1.39 0.29 -2.79 0.00 0.00 0.16 -3.46 119.26 114.85 3i3n h ALA 118 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3i3n h ALA 118 Cb 0.94 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.46 3i3n h ALA 118 CO 0.07 0.46 -0.30 -0.08 0.00 0.00 0.00 179.25 179.40 3i3n s THR 119 N -3.90 0.01 -0.97 0.00 -1.32 -0.81 -4.99 115.64 103.66 3i3n s THR 119 Ca -0.12 -0.12 0.06 0.00 -1.21 0.00 0.00 61.69 60.30 3i3n s THR 119 Cb 0.07 -0.52 0.05 0.00 -1.51 0.00 0.00 72.50 70.59 3i3n s THR 119 CO 0.84 -0.07 1.19 -1.84 -2.21 0.00 0.00 174.62 172.53 3i3n n GLU 120 N 2.47 0.01 0.25 7.08 0.28 -1.26 -2.15 120.64 127.31 3i3n n GLU 120 Ca -0.15 0.41 0.08 0.00 -0.16 0.00 0.00 57.16 57.34 3i3n n GLU 120 Cb 0.57 -1.52 0.61 0.00 1.43 0.00 0.00 31.44 32.53 3i3n n GLU 120 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3i3n h TYR 121 N 0.00 0.00 0.00 -1.84 3.20 -1.91 -2.70 116.97 113.73 3i3n h TYR 121 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3i3n h TYR 121 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3i3n h TYR 121 CO 0.00 0.10 -1.11 1.19 -1.64 0.00 0.00 178.16 176.71 3i3n n PHE 122 N -4.28 0.12 -0.15 -3.82 3.72 -0.91 -4.37 117.46 107.78 3i3n n PHE 122 Ca -0.03 0.04 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 3i3n n PHE 122 Cb 0.18 -0.29 0.05 0.00 -0.94 0.00 0.00 39.48 38.48 3i3n n PHE 122 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3i3n h THR 123 N 0.00 0.84 0.00 4.37 2.02 -1.59 -2.26 112.91 116.29 3i3n h THR 123 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3i3n h THR 123 Cb 0.67 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3i3n h THR 123 CO 0.00 0.06 0.00 -0.81 0.37 0.00 0.00 175.52 175.14 3i3n n PRO 124 N -5.02 0.24 -0.55 6.66 -0.04 -1.26 -2.35 135.00 132.68 3i3n n PRO 124 Ca 0.04 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 3i3n n PRO 124 Cb 0.19 -1.07 0.31 0.00 -0.04 0.00 0.00 33.50 32.89 3i3n n PRO 124 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i3n n LEU 125 N -0.01 4.41 -4.50 1.53 4.32 -0.85 -5.20 117.00 116.71 3i3n n LEU 125 Ca 0.00 -2.69 -0.42 0.00 -0.02 0.00 0.00 56.01 52.88 3i3n n LEU 125 Cb 0.03 -0.54 -0.03 0.00 -1.62 0.00 0.00 43.42 41.26 3i3n n LEU 125 CO 0.00 0.71 1.00 -1.48 -1.22 0.00 0.00 177.39 176.41 3i3n s LEU 126 N -2.26 3.87 0.00 2.23 0.05 -0.99 -5.19 118.68 116.39 3i3n s LEU 126 Ca 0.45 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.73 3i3n s LEU 126 Cb 0.32 -2.49 0.00 0.00 -2.05 0.00 0.00 46.19 41.98 3i3n s LEU 126 CO 0.16 -1.58 0.46 -1.20 -0.55 0.00 0.00 176.35 173.64 3i3n n SER 135 N 8.39 1.38 -4.77 1.48 7.64 -1.26 -5.23 113.62 121.25 3i3n n SER 135 Ca 0.04 -0.92 -0.41 0.00 1.01 0.00 0.00 58.87 58.59 3i3n n SER 135 Cb 0.48 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 3i3n n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3n n GLY 136 N 0.76 1.31 3.74 0.23 0.00 -1.26 -4.39 105.19 105.58 3i3n n GLY 136 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 3i3n n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3n s ARG 137 N -1.32 4.69 -0.11 1.61 0.52 -1.26 -3.67 118.95 119.40 3i3n s ARG 137 Ca 0.58 1.62 -0.00 0.00 -0.52 0.00 0.00 55.73 57.41 3i3n s ARG 137 Cb -0.48 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.68 3i3n s ARG 137 CO 0.56 0.23 -0.09 0.08 0.02 0.00 0.00 175.30 176.10 3i3n s VAL 138 N -0.56 3.41 0.00 3.52 1.01 -0.00 -4.95 120.40 122.82 3i3n s VAL 138 Ca 0.46 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3i3n s VAL 138 Cb -0.28 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3i3n s VAL 138 CO 0.34 0.54 0.00 -0.62 0.00 0.00 0.00 175.10 175.36 3i3n n GLU 139 N 3.09 3.46 -4.40 2.72 1.02 -1.26 -1.16 120.64 124.13 3i3n n GLU 139 Ca -0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.66 3i3n n GLU 139 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.83 3i3n n GLU 139 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i3n s ARG 141 N 3.17 1.95 0.75 3.49 0.52 -1.26 -4.94 118.95 122.62 3i3n s ARG 141 Ca 0.00 -1.08 -0.16 0.00 -0.52 0.00 0.00 55.73 53.97 3i3n s ARG 141 Cb 0.00 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.27 3i3n s ARG 141 CO 0.00 0.51 0.62 1.17 0.02 0.00 0.00 175.30 177.61 3i3n n LYS 142 N 1.02 0.27 0.00 3.54 4.81 -1.26 -5.02 118.16 121.53 3i3n n LYS 142 Ca -0.15 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3i3n n LYS 142 Cb 0.52 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.65 3i3n n LYS 142 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3i3n n TRP 143 N -2.56 0.00 0.28 5.64 7.02 -1.26 -5.05 117.44 121.51 3i3n n TRP 143 Ca 0.10 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.44 3i3n n TRP 143 Cb 0.50 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.32 3i3n n TRP 143 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3i3n h SER 144 N 0.00 -0.62 -3.36 -0.99 4.64 -1.98 -3.42 113.55 107.83 3i3n h SER 144 Ca 0.00 -0.05 -0.56 0.00 -0.47 0.00 0.00 61.79 60.71 3i3n h SER 144 Cb 0.00 0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.19 3i3n h SER 144 CO 0.00 -0.25 0.04 -0.94 -0.87 0.00 0.00 176.83 174.82 3i3n s SER 145 N -4.71 6.94 0.16 4.97 1.04 -1.26 -4.99 113.70 115.85 3i3n s SER 145 Ca -0.14 1.13 -0.26 0.00 0.48 0.00 0.00 55.95 57.16 3i3n s SER 145 Cb 0.02 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.76 3i3n s SER 145 CO 0.47 -0.07 1.57 -0.33 0.98 0.00 0.00 173.24 175.86 3i3n h GLU 146 N 6.62 -0.29 -0.30 4.02 4.39 -2.01 0.61 114.58 127.62 3i3n h GLU 146 Ca -0.41 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.39 3i3n h GLU 146 Cb 1.19 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3i3n h GLU 146 CO 0.75 -0.19 0.39 -1.35 -1.16 0.00 0.00 179.01 177.44 3i3n h PRO 147 N -0.30 0.00 0.00 2.33 0.11 -1.97 -3.44 132.00 128.73 3i3n h PRO 147 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3i3n h PRO 147 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3i3n h PRO 147 CO -0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.60 3i3n n GLY 148 N -1.43 -0.20 3.66 -0.55 0.00 0.21 -4.97 105.19 101.90 3i3n n GLY 148 Ca 0.05 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3i3n n GLY 148 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i3n n PRO 149 N -0.18 -0.46 -2.26 1.61 -0.02 -1.26 -4.91 135.00 127.52 3i3n n PRO 149 Ca 0.00 -0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 3i3n n PRO 149 Cb 0.00 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.10 3i3n n PRO 149 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i3n s GLU 150 N -4.58 4.37 0.30 -0.52 2.56 -1.26 -4.88 118.70 114.69 3i3n s GLU 150 Ca 0.66 1.98 0.03 0.00 0.00 0.00 0.00 54.97 57.64 3i3n s GLU 150 Cb -0.23 -3.27 0.78 0.00 2.00 0.00 0.00 34.13 33.41 3i3n s GLU 150 CO 0.59 -0.34 1.60 -1.35 -0.56 0.00 0.00 175.26 175.20 3i3n h PRO 151 N 6.47 0.08 0.00 4.30 0.11 -1.98 0.53 132.00 141.50 3i3n h PRO 151 Ca -0.43 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3i3n h PRO 151 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3i3n h PRO 151 CO 0.83 0.05 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.98 3i3n h ASP 152 N 0.08 0.00 0.13 -2.05 3.32 -1.99 -1.99 116.42 113.91 3i3n h ASP 152 Ca 0.60 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.35 3i3n h ASP 152 Cb 1.26 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.83 3i3n h ASP 152 CO -0.80 0.25 -1.20 0.74 -1.72 0.00 0.00 179.24 176.51 3i3n h THR 153 N 0.00 1.29 0.20 0.35 2.02 -0.35 -2.66 112.91 113.75 3i3n h THR 153 Ca -0.00 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 64.73 3i3n h THR 153 Cb 0.57 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3i3n h THR 153 CO 0.03 0.74 -0.09 0.58 0.37 0.00 0.00 175.52 177.15 3i3n h VAL 154 N 0.29 0.87 -0.94 3.16 2.07 -1.15 -2.09 116.25 118.47 3i3n h VAL 154 Ca -0.17 -0.30 0.19 0.00 0.82 0.00 0.00 66.70 67.24 3i3n h VAL 154 Cb 1.87 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 32.61 3i3n h VAL 154 CO 0.23 0.07 0.60 -0.08 0.02 0.00 0.00 177.57 178.41 3i3n h GLU 155 N -0.41 0.55 -0.05 1.57 4.57 -1.45 0.15 114.58 119.52 3i3n h GLU 155 Ca -0.03 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 3i3n h GLU 155 Cb 0.32 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3i3n h GLU 155 CO 0.04 0.36 -0.53 0.00 -1.18 0.00 0.00 179.01 177.71 3i3n h ALA 156 N 1.61 1.03 0.10 2.92 0.00 -1.06 0.76 119.26 124.62 3i3n h ALA 156 Ca 0.50 -0.49 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3i3n h ALA 156 Cb 1.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3i3n h ALA 156 CO -0.24 0.67 -1.21 0.28 0.00 0.00 0.00 179.25 178.75 3i3n h VAL 157 N 0.11 1.53 -0.09 0.00 2.07 -0.51 -1.54 116.25 117.81 3i3n h VAL 157 Ca 0.00 -3.13 -0.02 0.00 0.82 0.00 0.00 66.70 64.37 3i3n h VAL 157 Cb 0.97 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3i3n h VAL 157 CO 0.08 0.91 -0.00 0.40 0.02 0.00 0.00 177.57 178.97 3i3n h ILE 158 N 0.06 1.26 0.00 4.57 2.04 -0.58 -2.55 117.51 122.31 3i3n h ILE 158 Ca -0.11 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3i3n h ILE 158 Cb 1.93 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3i3n h ILE 158 CO 0.19 0.23 -0.13 -0.08 0.00 0.00 0.00 178.15 178.36 3i3n h GLU 159 N -0.12 0.00 -1.94 2.37 4.81 -0.85 -2.96 114.58 115.89 3i3n h GLU 159 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3i3n h GLU 159 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3i3n h GLU 159 CO 0.01 0.13 0.00 0.98 -0.73 0.00 0.00 179.01 179.39 3i3n n TYR 160 N -4.26 0.00 0.00 0.92 9.36 -0.58 -0.90 117.16 121.70 3i3n n TYR 160 Ca -0.03 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.16 3i3n n TYR 160 Cb 0.20 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 3i3n n TYR 160 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3i3n n TYR 162 N 0.97 0.00 -0.11 2.98 4.02 -1.12 0.14 117.16 124.05 3i3n n TYR 162 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i3n n TYR 162 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 3i3n n TYR 162 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3i3n n THR 163 N 0.00 0.00 -1.06 -0.72 -2.24 -0.07 -4.70 114.28 105.49 3i3n n THR 163 Ca 0.00 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3i3n n THR 163 Cb 0.00 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 3i3n n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3n n GLY 164 N 0.45 0.40 3.20 3.38 0.00 0.38 -5.00 105.19 107.99 3i3n n GLY 164 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3i3n n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3n s ARG 165 N -1.46 2.16 -0.10 1.61 0.52 -1.26 -5.06 118.95 115.37 3i3n s ARG 165 Ca 0.00 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.23 3i3n s ARG 165 Cb 0.00 -1.85 0.05 0.00 0.52 0.00 0.00 34.95 33.68 3i3n s ARG 165 CO 0.00 0.31 0.56 -1.50 0.02 0.00 0.00 175.30 174.68 3i3n s ILE 166 N -0.05 0.01 -0.26 1.52 2.07 -1.26 -4.22 121.20 119.01 3i3n s ILE 166 Ca -0.04 -0.11 -0.07 0.00 -1.41 0.00 0.00 60.65 59.02 3i3n s ILE 166 Cb -0.13 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 3i3n s ILE 166 CO 0.03 -0.06 0.07 -0.60 -1.91 0.00 0.00 174.94 172.47 3i3n s ARG 167 N -0.69 3.47 -0.11 3.50 3.52 -1.26 -5.08 118.95 122.30 3i3n s ARG 167 Ca -0.08 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 3i3n s ARG 167 Cb -0.03 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3i3n s ARG 167 CO 0.05 -0.27 0.00 0.08 -0.81 0.00 0.00 175.30 174.36 3i3n s VAL 168 N 1.57 4.32 0.26 7.11 1.01 -1.26 -5.04 120.40 128.37 3i3n s VAL 168 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3i3n s VAL 168 Cb -0.16 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 3i3n s VAL 168 CO 0.03 0.57 0.03 -0.94 0.00 0.00 0.00 175.10 174.79 3i3n s SER 169 N -0.55 1.87 0.56 3.32 1.04 -1.26 -4.97 113.70 113.71 3i3n s SER 169 Ca 0.09 -1.29 0.24 0.00 0.48 0.00 0.00 55.95 55.47 3i3n s SER 169 Cb -0.12 0.01 1.56 0.00 0.10 0.00 0.00 66.02 67.57 3i3n s SER 169 CO 0.02 -0.58 2.18 0.71 0.98 0.00 0.00 173.24 176.56 3i3n h THR 170 N 2.35 0.72 0.00 2.02 1.35 -2.00 0.26 112.91 117.61 3i3n h THR 170 Ca -0.39 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.29 3i3n h THR 170 Cb 1.23 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 3i3n h THR 170 CO 0.65 0.00 -0.86 1.23 -0.25 0.00 0.00 175.52 176.29 3i3n h GLY 171 N 0.00 0.00 0.00 5.82 0.00 -2.03 -3.37 103.07 103.49 3i3n h GLY 171 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3i3n h GLY 171 CO -0.00 0.00 -1.42 -1.14 0.00 0.00 0.00 176.54 173.98 3i3n n SER 172 N -3.31 1.96 -0.34 0.19 3.41 -0.81 -4.73 113.62 110.00 3i3n n SER 172 Ca 0.01 -0.11 0.25 0.00 -0.26 0.00 0.00 58.87 58.76 3i3n n SER 172 Cb 0.88 1.48 0.50 0.00 -0.26 0.00 0.00 64.21 66.81 3i3n n SER 172 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3i3n h VAL 173 N 0.00 0.26 -0.40 -3.33 3.04 -0.68 -0.55 116.25 114.60 3i3n h VAL 173 Ca 0.00 -0.10 -0.08 0.00 -1.01 0.00 0.00 66.70 65.51 3i3n h VAL 173 Cb 0.52 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 3i3n h VAL 173 CO 0.00 0.05 -0.08 1.12 -1.01 0.00 0.00 177.57 177.65 3i3n h HIS 174 N 0.28 0.85 -0.08 3.17 2.07 -1.84 -1.05 115.15 118.54 3i3n h HIS 174 Ca 0.75 -0.18 -0.13 0.00 -2.85 0.00 0.00 60.37 57.96 3i3n h HIS 174 Cb 1.78 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 31.54 3i3n h HIS 174 CO -0.01 0.88 -0.55 0.93 -3.07 0.00 0.00 177.93 176.11 3i3n h GLU 175 N 0.57 0.24 -0.63 5.12 5.08 -1.48 -1.76 114.58 121.72 3i3n h GLU 175 Ca 0.10 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3i3n h GLU 175 Cb 0.60 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3i3n h GLU 175 CO 0.04 0.73 0.07 0.28 -1.00 0.00 0.00 179.01 179.12 3i3n h VAL 176 N 0.18 1.26 -0.25 3.13 2.07 -1.12 -1.47 116.25 120.05 3i3n h VAL 176 Ca 0.00 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3i3n h VAL 176 Cb 1.03 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3i3n h VAL 176 CO 0.08 0.39 0.15 0.25 0.02 0.00 0.00 177.57 178.47 3i3n h LEU 177 N 0.97 0.31 -0.65 2.57 5.85 -0.93 0.13 115.31 123.56 3i3n h LEU 177 Ca 0.19 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3i3n h LEU 177 Cb 0.48 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3i3n h LEU 177 CO 0.02 0.28 0.34 -0.08 -0.34 0.00 0.00 178.44 178.66 3i3n h GLU 178 N 0.31 0.91 -0.36 1.25 4.81 -1.09 0.09 114.58 120.50 3i3n h GLU 178 Ca 0.09 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3i3n h GLU 178 Cb 0.03 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3i3n h GLU 178 CO -0.02 0.70 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.81 3i3n h LEU 179 N 0.89 0.69 -1.06 1.64 3.38 -1.08 -0.67 115.31 119.10 3i3n h LEU 179 Ca 0.23 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i3n h LEU 179 Cb 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3i3n h LEU 179 CO -0.03 0.89 0.59 0.00 0.09 0.00 0.00 178.44 179.98 3i3n h ALA 180 N 0.82 1.31 -0.26 1.53 0.00 -0.50 -0.71 119.26 121.45 3i3n h ALA 180 Ca 0.09 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3i3n h ALA 180 Cb 0.59 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i3n h ALA 180 CO 0.03 0.63 -0.39 0.22 0.00 0.00 0.00 179.25 179.74 3i3n h ASP 181 N 1.26 0.80 -0.04 0.00 3.58 -0.82 0.38 116.42 121.58 3i3n h ASP 181 Ca 0.34 -0.51 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 3i3n h ASP 181 Cb -0.12 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.69 3i3n h ASP 181 CO -0.07 1.16 -0.13 -0.09 -2.88 0.00 0.00 179.24 177.23 3i3n h ARG 182 N 0.46 0.34 -0.69 0.28 9.65 -0.73 -2.98 114.38 120.72 3i3n h ARG 182 Ca 0.03 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3i3n h ARG 182 Cb 0.98 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 3i3n h ARG 182 CO 0.09 0.48 0.00 1.19 2.80 0.00 0.00 179.97 184.53 3i3n n PHE 183 N -4.24 1.04 -2.86 2.20 3.72 -0.31 -4.96 117.46 112.05 3i3n n PHE 183 Ca -0.00 -0.52 -0.22 0.00 -0.05 0.00 0.00 57.45 56.66 3i3n n PHE 183 Cb 0.29 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 3i3n n PHE 183 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3i3n n LEU 184 N 1.45 -2.38 -4.47 4.37 4.77 -0.75 -4.43 117.00 115.55 3i3n n LEU 184 Ca 0.24 -0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 3i3n n LEU 184 Cb 0.66 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 3i3n n LEU 184 CO 0.17 0.10 1.84 0.18 -1.33 0.00 0.00 177.39 178.36 3i3n n LEU 185 N -3.72 5.20 -0.14 2.23 4.77 0.05 -4.83 117.00 120.56 3i3n n LEU 185 Ca -0.14 -4.13 -0.04 0.00 -0.03 0.00 0.00 56.01 51.67 3i3n n LEU 185 Cb 0.63 -1.69 0.02 0.00 -2.33 0.00 0.00 43.42 40.05 3i3n n LEU 185 CO 0.42 0.43 0.74 0.40 -1.33 0.00 0.00 177.39 178.05 3i3n h ILE 186 N 5.12 0.44 -0.77 -0.08 2.04 -1.89 0.64 117.51 123.01 3i3n h ILE 186 Ca 0.41 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.24 3i3n h ILE 186 Cb 0.85 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3i3n h ILE 186 CO 1.43 0.00 0.36 0.03 0.00 0.00 0.00 178.15 179.96 3i3n h ARG 187 N -0.06 1.12 -0.09 2.37 3.08 -1.98 0.14 114.38 118.95 3i3n h ARG 187 Ca 0.22 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3i3n h ARG 187 Cb 0.41 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3i3n h ARG 187 CO -0.51 0.87 -0.02 1.25 -1.07 0.00 0.00 179.97 180.49 3i3n h LEU 188 N 1.11 0.18 -0.74 3.04 5.85 -1.83 -1.44 115.31 121.48 3i3n h LEU 188 Ca 0.27 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3i3n h LEU 188 Cb 0.13 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3i3n h LEU 188 CO -0.03 0.50 0.43 0.50 -0.34 0.00 0.00 178.44 179.50 3i3n h LYS 189 N -0.15 0.77 -0.12 1.25 3.64 -0.57 -0.61 116.57 120.78 3i3n h LYS 189 Ca 0.02 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3i3n h LYS 189 Cb 0.42 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3i3n h LYS 189 CO 0.01 0.51 -0.20 0.93 -2.27 0.00 0.00 179.45 178.43 3i3n h GLU 190 N 0.79 0.21 -0.01 1.90 5.08 -0.59 -2.36 114.58 119.59 3i3n h GLU 190 Ca 0.33 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3i3n h GLU 190 Cb 0.18 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3i3n h GLU 190 CO -0.18 0.41 -0.01 0.35 -1.00 0.00 0.00 179.01 178.58 3i3n h PHE 191 N 0.19 0.03 -0.85 4.33 3.57 -0.04 -2.53 116.94 121.64 3i3n h PHE 191 Ca 0.04 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.73 3i3n h PHE 191 Cb 0.47 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 3i3n h PHE 191 CO 0.01 0.45 0.58 0.00 -2.23 0.00 0.00 178.31 177.11 3i3n h GLY 193 N 0.31 0.55 1.45 0.00 0.00 -1.01 -1.19 103.07 103.18 3i3n h GLY 193 Ca 0.43 -0.38 -0.30 0.00 0.00 0.00 0.00 47.33 47.08 3i3n h GLY 193 CO -0.13 0.35 -1.33 0.83 0.00 0.00 0.00 176.54 176.26 3i3n h GLU 194 N 0.47 0.42 0.12 4.80 4.39 -0.65 -2.25 114.58 121.88 3i3n h GLU 194 Ca 0.09 -0.68 0.01 0.00 0.34 0.00 0.00 59.36 59.12 3i3n h GLU 194 Cb 0.48 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 3i3n h GLU 194 CO 0.03 1.32 -0.18 0.35 -1.16 0.00 0.00 179.01 179.37 3i3n h PHE 195 N 0.13 -0.47 -0.71 4.33 3.57 -0.91 -1.56 116.94 121.31 3i3n h PHE 195 Ca -0.19 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.27 3i3n h PHE 195 Cb 2.04 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.94 3i3n h PHE 195 CO 0.09 -0.27 0.26 -0.07 -2.23 0.00 0.00 178.31 176.10 3i3n h LEU 196 N -0.36 0.99 -1.83 0.59 3.38 -1.31 -2.56 115.31 114.21 3i3n h LEU 196 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3i3n h LEU 196 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3i3n h LEU 196 CO -0.09 0.89 0.08 0.50 0.09 0.00 0.00 178.44 179.92 3i3n h LYS 197 N 1.04 0.19 0.00 1.13 3.64 -0.94 -0.06 116.57 121.57 3i3n h LYS 197 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3i3n h LYS 197 Cb 0.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3i3n h LYS 197 CO -0.02 0.14 -0.61 0.87 -2.27 0.00 0.00 179.45 177.56 3i3n h LYS 198 N 0.19 0.00 -0.02 1.90 1.57 -0.92 -3.28 116.57 116.01 3i3n h LYS 198 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3i3n h LYS 198 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i3n h LYS 198 CO -0.01 0.00 -0.32 1.63 -0.57 0.00 0.00 179.45 180.18 3i3n n LYS 199 N -2.45 1.57 -1.64 3.15 4.76 -0.61 -4.98 118.16 117.96 3i3n n LYS 199 Ca 0.02 -1.29 -0.51 0.00 -2.87 0.00 0.00 58.31 53.66 3i3n n LYS 199 Cb 0.49 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.16 3i3n n LYS 199 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i3n n LEU 200 N 0.41 2.33 -3.66 -0.35 0.00 -0.14 -4.96 117.00 110.63 3i3n n LEU 200 Ca 0.11 1.09 -0.14 0.00 0.00 0.00 0.00 56.01 57.06 3i3n n LEU 200 Cb 0.51 -1.26 -0.08 0.00 0.00 0.00 0.00 43.42 42.59 3i3n n LEU 200 CO 0.24 -0.64 0.27 -2.28 0.00 0.00 0.00 177.39 174.97 3i3n s HIS 201 N 1.52 -0.59 0.57 1.96 2.46 -1.26 -5.02 115.29 114.93 3i3n s HIS 201 Ca 0.86 1.34 0.32 0.00 0.47 0.00 0.00 55.06 58.05 3i3n s HIS 201 Cb -0.88 0.23 1.09 0.00 -0.13 0.00 0.00 32.58 32.89 3i3n s HIS 201 CO 0.48 -0.36 1.32 -0.11 -2.47 0.00 0.00 174.74 173.60 3i3n n LEU 202 N 2.31 0.00 -0.09 8.88 7.94 -1.26 0.12 117.00 134.90 3i3n n LEU 202 Ca -0.15 0.79 0.14 0.00 -1.11 0.00 0.00 56.01 55.68 3i3n n LEU 202 Cb 0.56 -0.31 0.55 0.00 0.53 0.00 0.00 43.42 44.75 3i3n n LEU 202 CO 0.12 -0.79 0.81 -0.24 -1.11 0.00 0.00 177.39 176.18 3i3n n SER 203 N -3.35 0.44 0.00 1.96 2.88 -1.26 -4.16 113.62 110.12 3i3n n SER 203 Ca 0.28 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 3i3n n SER 203 Cb 1.61 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.99 3i3n n SER 203 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i3n n ASN 204 N -1.09 0.00 -0.10 -3.46 0.23 0.33 -4.87 115.26 106.29 3i3n n ASN 204 Ca 0.12 -1.00 0.18 0.00 -0.53 0.00 0.00 54.58 53.35 3i3n n ASN 204 Cb 0.30 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.59 3i3n n ASN 204 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i3n h VAL 206 N 0.23 1.03 -0.98 0.00 2.07 -1.87 0.24 116.25 116.96 3i3n h VAL 206 Ca 0.32 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3i3n h VAL 206 Cb 0.94 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 3i3n h VAL 206 CO -0.07 0.24 0.64 0.00 0.02 0.00 0.00 177.57 178.41 3i3n h ALA 207 N -0.02 1.37 -0.22 1.67 0.00 -1.79 -1.60 119.26 118.67 3i3n h ALA 207 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3i3n h ALA 207 Cb 0.53 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i3n h ALA 207 CO 0.03 0.52 -0.18 0.82 0.00 0.00 0.00 179.25 180.45 3i3n h ILE 208 N 1.22 1.32 -0.83 0.00 2.04 -0.80 -2.69 117.51 117.78 3i3n h ILE 208 Ca 0.39 -1.32 0.06 0.00 1.00 0.00 0.00 64.86 65.00 3i3n h ILE 208 Cb 0.03 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3i3n h ILE 208 CO -0.13 0.40 0.54 -0.74 0.00 0.00 0.00 178.15 178.23 3i3n h HIS 209 N 0.19 0.93 -0.31 1.37 2.76 -0.16 0.39 115.15 120.33 3i3n h HIS 209 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3i3n h HIS 209 Cb 0.71 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3i3n h HIS 209 CO 0.07 0.50 0.20 1.03 -1.30 0.00 0.00 177.93 178.43 3i3n h SER 210 N 0.93 0.35 0.00 3.26 0.87 -1.17 -1.86 113.55 115.93 3i3n h SER 210 Ca 0.35 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 3i3n h SER 210 Cb 0.20 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3i3n h SER 210 CO -0.12 0.26 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.37 3i3n h LEU 211 N 0.41 -0.00 -1.86 2.23 3.38 -0.96 -2.87 115.31 115.65 3i3n h LEU 211 Ca 0.11 -0.36 0.22 0.00 0.09 0.00 0.00 57.88 57.95 3i3n h LEU 211 Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3i3n h LEU 211 CO -0.02 0.36 0.58 0.00 0.09 0.00 0.00 178.44 179.45 3i3n h ALA 212 N 0.64 2.60 -0.05 1.53 0.00 -0.87 -0.23 119.26 122.88 3i3n h ALA 212 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i3n h ALA 212 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i3n h ALA 212 CO 0.00 -0.85 0.03 1.58 0.00 0.00 0.00 179.25 180.01 3i3n n HIS 213 N -4.36 0.15 0.00 0.00 -0.00 -0.71 0.87 115.22 111.18 3i3n n HIS 213 Ca 0.17 -0.51 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 3i3n n HIS 213 Cb 0.82 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 3i3n n HIS 213 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3i3n n TYR 215 N 0.37 0.00 -3.56 1.57 4.01 -0.10 -4.74 117.16 114.72 3i3n n TYR 215 Ca 0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.59 3i3n n TYR 215 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 3i3n n TYR 215 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3i3n n THR 216 N 0.00 -5.43 -3.02 -0.72 -1.04 -0.86 -4.92 114.28 98.29 3i3n n THR 216 Ca 0.00 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 3i3n n THR 216 Cb 0.00 -4.17 -0.04 0.00 -1.82 0.00 0.00 70.33 64.31 3i3n n THR 216 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i3n n LEU 217 N -2.28 4.88 -0.12 -4.42 4.77 0.25 -4.95 117.00 115.14 3i3n n LEU 217 Ca -0.22 -5.55 -0.03 0.00 -0.03 0.00 0.00 56.01 50.18 3i3n n LEU 217 Cb 0.64 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3i3n n LEU 217 CO 0.60 2.20 0.14 -1.20 -1.33 0.00 0.00 177.39 177.80 3i3n n SER 218 N 0.15 -0.28 0.26 -1.43 7.64 -1.26 -0.03 113.62 118.67 3i3n n SER 218 Ca 0.33 0.50 -0.16 0.00 1.01 0.00 0.00 58.87 60.55 3i3n n SER 218 Cb 0.37 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 3i3n n SER 218 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3i3n h GLN 219 N 0.00 -0.68 -0.67 1.43 5.75 -1.96 -2.07 115.11 116.90 3i3n h GLN 219 Ca 0.06 0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3i3n h GLN 219 Cb 0.13 0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 3i3n h GLN 219 CO -0.27 -0.45 0.39 1.25 -2.65 0.00 0.00 178.83 177.10 3i3n h LEU 220 N -0.71 0.61 -0.22 -2.39 5.85 -1.05 -2.58 115.31 114.82 3i3n h LEU 220 Ca -0.05 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3i3n h LEU 220 Cb 0.59 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 3i3n h LEU 220 CO 0.03 0.40 -0.18 0.00 -0.34 0.00 0.00 178.44 178.36 3i3n h ALA 221 N 1.33 -0.03 -0.08 1.25 0.00 -0.17 -0.40 119.26 121.16 3i3n h ALA 221 Ca 0.29 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3i3n h ALA 221 Cb 0.12 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i3n h ALA 221 CO -0.15 -0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 178.42 3i3n h LEU 222 N -0.18 -0.04 -0.19 0.00 3.38 -1.11 0.20 115.31 117.36 3i3n h LEU 222 Ca 0.13 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3i3n h LEU 222 Cb 0.38 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3i3n h LEU 222 CO -0.33 -0.01 0.02 0.50 0.09 0.00 0.00 178.44 178.70 3i3n h LYS 223 N 0.02 0.08 -0.22 1.13 3.64 -1.14 0.92 116.57 121.00 3i3n h LYS 223 Ca 0.04 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 3i3n h LYS 223 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3i3n h LYS 223 CO -0.07 0.06 -0.14 0.00 -2.27 0.00 0.00 179.45 177.03 3i3n h ALA 224 N 1.15 1.36 -0.51 5.00 0.00 -0.88 -2.75 119.26 122.64 3i3n h ALA 224 Ca 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3i3n h ALA 224 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i3n h ALA 224 CO -0.14 0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.50 3i3n h ALA 225 N 1.53 0.69 0.00 0.00 0.00 0.46 -1.92 119.26 120.02 3i3n h ALA 225 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i3n h ALA 225 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i3n h ALA 225 CO 0.03 0.54 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 3i3n n ASP 226 N -4.26 0.37 0.00 0.00 9.92 0.21 -1.11 116.55 121.68 3i3n n ASP 226 Ca 0.01 -0.30 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 3i3n n ASP 226 Cb 0.35 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 3i3n n ASP 226 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3i3n n ILE 228 N 0.79 0.00 0.33 0.53 5.41 -0.72 -1.86 119.36 123.85 3i3n n ILE 228 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 3i3n n ILE 228 Cb 0.06 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.91 3i3n n ILE 228 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3i3n h ARG 229 N 0.00 -0.80 -0.30 0.38 3.08 -1.40 0.22 114.38 115.56 3i3n h ARG 229 Ca 0.00 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.19 3i3n h ARG 229 Cb 0.00 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3i3n h ARG 229 CO 0.00 -0.50 0.30 0.00 -1.07 0.00 0.00 179.97 178.70 3i3n h ARG 230 N -0.93 0.00 0.00 0.04 3.08 -1.64 -1.89 114.38 113.04 3i3n h ARG 230 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3i3n h ARG 230 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3i3n h ARG 230 CO 0.14 0.00 -0.30 0.09 -1.07 0.00 0.00 179.97 178.83 3i3n n ASN 231 N -3.91 1.92 -0.33 7.04 5.03 -1.09 -4.75 115.26 119.16 3i3n n ASN 231 Ca 0.05 -3.43 0.10 0.00 0.87 0.00 0.00 54.58 52.16 3i3n n ASN 231 Cb 0.45 -0.47 0.27 0.00 -1.02 0.00 0.00 39.78 39.01 3i3n n ASN 231 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3i3n h PHE 232 N 0.53 0.97 -0.68 3.10 3.57 0.18 0.21 116.94 124.83 3i3n h PHE 232 Ca -0.01 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3i3n h PHE 232 Cb 1.04 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3i3n h PHE 232 CO 0.39 0.25 0.45 1.12 -2.23 0.00 0.00 178.31 178.29 3i3n h HIS 233 N 0.75 0.60 0.22 0.41 2.07 -1.75 -1.82 115.15 115.63 3i3n h HIS 233 Ca 0.53 0.02 -0.29 0.00 -2.85 0.00 0.00 60.37 57.77 3i3n h HIS 233 Cb 0.75 -0.20 0.03 0.00 2.57 0.00 0.00 27.41 30.57 3i3n h HIS 233 CO -0.04 0.29 -1.29 0.87 -3.07 0.00 0.00 177.93 174.70 3i3n h LYS 234 N 0.57 0.47 0.00 5.12 1.57 -0.97 -3.34 116.57 119.99 3i3n h LYS 234 Ca 0.31 -0.80 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 3i3n h LYS 234 Cb 0.46 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3i3n h LYS 234 CO -0.10 1.38 -0.20 -0.39 -0.57 0.00 0.00 179.45 179.57 3i3n h VAL 235 N -0.02 1.14 0.00 0.50 -1.51 -0.70 -2.26 116.25 113.41 3i3n h VAL 235 Ca -0.23 -0.69 -0.03 0.00 -1.23 0.00 0.00 66.70 64.52 3i3n h VAL 235 Cb 2.01 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 32.54 3i3n h VAL 235 CO 0.24 0.20 -0.13 0.40 -1.23 0.00 0.00 177.57 177.05 3i3n h ILE 236 N 0.00 0.89 0.00 7.19 2.04 -1.46 -2.75 117.51 123.43 3i3n h ILE 236 Ca -0.00 -0.46 -0.18 0.00 1.00 0.00 0.00 64.86 65.21 3i3n h ILE 236 Cb 0.36 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3i3n h ILE 236 CO 0.03 0.12 -0.89 1.56 0.00 0.00 0.00 178.15 178.97 3i3n h GLN 237 N 0.00 0.00 -7.40 2.37 4.20 -1.54 -3.46 115.11 109.28 3i3n h GLN 237 Ca -0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.22 3i3n h GLN 237 Cb 0.25 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.15 3i3n h GLN 237 CO 0.02 0.86 0.32 -0.51 -0.67 0.00 0.00 178.83 178.84 3i3n s ASP 238 N -6.63 4.21 0.10 1.46 1.01 -1.04 -4.98 116.67 110.80 3i3n s ASP 238 Ca 0.02 1.32 0.17 0.00 0.71 0.00 0.00 52.55 54.77 3i3n s ASP 238 Cb 0.09 -2.03 -0.10 0.00 1.01 0.00 0.00 42.92 41.89 3i3n s ASP 238 CO 0.80 -2.15 0.91 -0.08 0.21 0.00 0.00 175.17 174.86 3i3n h GLU 239 N -1.21 0.00 -0.52 8.23 4.81 -1.89 -3.37 114.58 120.63 3i3n h GLU 239 Ca -0.48 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.86 3i3n h GLU 239 Cb 1.28 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.55 3i3n h GLU 239 CO 0.58 0.26 -0.18 1.49 -0.73 0.00 0.00 179.01 180.44 3i3n h GLU 240 N 0.00 -0.05 -1.01 1.92 4.57 -1.94 -1.55 114.58 116.52 3i3n h GLU 240 Ca -0.12 0.00 0.33 0.00 -1.18 0.00 0.00 59.36 58.39 3i3n h GLU 240 Cb 1.48 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.93 3i3n h GLU 240 CO 0.04 -0.04 0.58 0.35 -1.18 0.00 0.00 179.01 178.77 3i3n h PHE 241 N -0.06 0.91 0.00 0.92 3.57 -1.80 -0.05 116.94 120.44 3i3n h PHE 241 Ca 0.25 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3i3n h PHE 241 Cb 0.43 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3i3n h PHE 241 CO -0.48 -0.19 0.00 0.66 -2.23 0.00 0.00 178.31 176.07 3i3n n TYR 242 N -5.04 0.00 0.71 0.41 4.01 -0.58 -2.69 117.16 113.98 3i3n n TYR 242 Ca 0.32 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.14 3i3n n TYR 242 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.03 3i3n n TYR 242 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3i3n n THR 243 N -0.56 0.00 -0.96 -0.72 -2.24 -0.03 -4.93 114.28 104.84 3i3n n THR 243 Ca 0.02 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 3i3n n THR 243 Cb 0.01 1.16 0.13 0.00 -2.10 0.00 0.00 70.33 69.53 3i3n n THR 243 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i3n s LEU 244 N -2.14 2.96 0.46 3.22 1.43 -1.10 -5.02 118.68 118.50 3i3n s LEU 244 Ca 0.12 2.09 -0.10 0.00 -1.03 0.00 0.00 54.13 55.21 3i3n s LEU 244 Cb 0.13 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 3i3n s LEU 244 CO 0.44 -2.67 0.83 -2.16 0.23 0.00 0.00 176.35 173.02 3i3n s PRO 245 N -4.64 3.72 0.22 1.29 0.04 -1.26 -4.91 135.00 129.47 3i3n s PRO 245 Ca 0.66 0.50 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 3i3n s PRO 245 Cb -0.22 -2.32 0.25 0.00 0.04 0.00 0.00 34.50 32.25 3i3n s PRO 245 CO 0.56 -0.17 1.58 0.35 0.04 0.00 0.00 177.00 179.36 3i3n h PHE 246 N 0.79 -0.78 -0.13 0.56 3.57 -1.99 -1.74 116.94 117.21 3i3n h PHE 246 Ca -0.47 0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.15 3i3n h PHE 246 Cb 1.19 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 3i3n h PHE 246 CO 0.61 -0.38 0.15 1.12 -2.23 0.00 0.00 178.31 177.58 3i3n h HIS 247 N -0.06 0.00 0.11 0.41 2.07 -1.99 0.20 115.15 115.89 3i3n h HIS 247 Ca 0.33 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.64 3i3n h HIS 247 Cb 0.59 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.57 3i3n h HIS 247 CO -0.71 0.00 -1.02 -0.07 -3.07 0.00 0.00 177.93 173.06 3i3n h LEU 248 N 0.00 0.36 -0.69 6.12 3.38 -1.71 -2.52 115.31 120.24 3i3n h LEU 248 Ca 0.06 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.21 3i3n h LEU 248 Cb 0.37 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3i3n h LEU 248 CO -0.00 1.46 0.39 0.40 0.09 0.00 0.00 178.44 180.78 3i3n h ILE 249 N -0.44 0.96 -0.07 1.22 1.08 -1.04 -0.29 117.51 118.94 3i3n h ILE 249 Ca -0.21 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3i3n h ILE 249 Cb 1.62 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 35.56 3i3n h ILE 249 CO 0.08 0.13 0.04 -0.09 -0.69 0.00 0.00 178.15 177.62 3i3n h ARG 250 N 0.70 0.09 -0.83 2.37 1.12 -0.73 -1.66 114.38 115.44 3i3n h ARG 250 Ca 0.32 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.24 3i3n h ARG 250 Cb 0.21 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.10 3i3n h ARG 250 CO -0.19 0.11 0.54 -0.44 -3.11 0.00 0.00 179.97 176.88 3i3n h ASP 251 N 0.04 0.80 -0.40 -3.80 3.32 -0.92 -2.02 116.42 113.46 3i3n h ASP 251 Ca 0.02 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3i3n h ASP 251 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3i3n h ASP 251 CO -0.00 0.52 -0.34 -0.50 -1.72 0.00 0.00 179.24 177.20 3i3n h TRP 252 N 0.91 1.10 0.00 4.55 -0.00 -0.70 -2.47 115.95 119.34 3i3n h TRP 252 Ca 0.36 -0.32 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3i3n h TRP 252 Cb 0.23 -0.24 0.00 0.00 -0.00 0.00 0.00 29.16 29.15 3i3n h TRP 252 CO -0.00 1.14 0.00 -0.07 -0.00 0.00 0.00 178.44 179.51 3i3n h LEU 253 N 0.75 0.00 0.00 -4.49 3.38 -0.91 -1.41 115.31 112.63 3i3n h LEU 253 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i3n h LEU 253 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3i3n h LEU 253 CO 0.09 0.00 -0.53 -1.20 0.09 0.00 0.00 178.44 176.89 3i3n n SER 254 N -2.33 0.53 -4.68 -0.43 7.64 -0.79 -4.85 113.62 108.69 3i3n n SER 254 Ca 0.02 -0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.34 3i3n n SER 254 Cb 0.27 0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 3i3n n SER 254 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i3n s ASP 255 N -3.30 7.04 0.18 6.43 2.15 -0.53 -4.92 116.67 123.71 3i3n s ASP 255 Ca 0.10 1.78 0.11 0.00 0.43 0.00 0.00 52.55 54.98 3i3n s ASP 255 Cb 0.17 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 40.15 3i3n s ASP 255 CO 0.70 -0.61 1.30 -0.07 -0.17 0.00 0.00 175.17 176.32 3i3n h LEU 256 N 8.44 0.00 -0.21 -1.34 3.38 -1.90 -3.35 115.31 120.34 3i3n h LEU 256 Ca -0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3i3n h LEU 256 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3i3n h LEU 256 CO 0.89 0.75 -0.56 -0.33 0.09 0.00 0.00 178.44 179.29 3i3n h GLU 257 N 0.00 0.00 -6.21 1.13 4.39 -1.96 -3.47 114.58 108.46 3i3n h GLU 257 Ca -0.03 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.02 3i3n h GLU 257 Cb 1.60 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 30.35 3i3n h GLU 257 CO 0.09 0.56 -0.14 0.44 -1.16 0.00 0.00 179.01 178.79 3i3n n ILE 258 N -3.32 1.70 -3.53 3.13 -5.35 -1.26 -4.80 119.36 105.94 3i3n n ILE 258 Ca 0.01 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 3i3n n ILE 258 Cb 0.72 -0.47 -0.11 0.00 -1.74 0.00 0.00 39.64 38.04 3i3n n ILE 258 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i3n s THR 259 N -0.83 4.90 0.09 7.28 -4.23 -0.79 -5.03 115.64 117.04 3i3n s THR 259 Ca 0.65 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 3i3n s THR 259 Cb -0.86 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.20 3i3n s THR 259 CO 0.57 -0.28 -0.08 0.68 -0.54 0.00 0.00 174.62 174.96 3i3n s VAL 260 N 1.61 0.81 0.12 2.29 -7.23 -1.26 -2.38 120.40 114.36 3i3n s VAL 260 Ca 0.03 -1.69 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 3i3n s VAL 260 Cb -0.19 -1.39 -0.08 0.00 0.56 0.00 0.00 36.38 35.27 3i3n s VAL 260 CO 0.08 -0.66 1.41 0.44 -0.31 0.00 0.00 175.10 176.07 3i3n h ASP 261 N 3.44 0.93 -5.04 4.85 3.32 -1.98 -3.47 116.42 118.47 3i3n h ASP 261 Ca -0.36 -0.51 -0.09 0.00 0.02 0.00 0.00 57.03 56.09 3i3n h ASP 261 Cb 1.18 -0.27 -0.17 0.00 0.22 0.00 0.00 39.33 40.29 3i3n h ASP 261 CO 0.56 1.27 -0.18 -0.94 -1.72 0.00 0.00 179.24 178.23 3i3n s SER 262 N -6.85 -0.21 0.56 6.45 1.04 -1.26 -5.01 113.70 108.43 3i3n s SER 262 Ca -0.11 -0.05 0.34 0.00 0.48 0.00 0.00 55.95 56.60 3i3n s SER 262 Cb 0.10 0.39 1.61 0.00 0.10 0.00 0.00 66.02 68.22 3i3n s SER 262 CO 0.88 -0.62 2.09 -0.33 0.98 0.00 0.00 173.24 176.24 3i3n h GLU 263 N 3.20 0.00 -0.89 4.02 4.39 -1.91 -2.65 114.58 120.75 3i3n h GLU 263 Ca -0.31 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.47 3i3n h GLU 263 Cb 1.20 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 3i3n h GLU 263 CO 0.44 0.05 0.54 0.93 -1.16 0.00 0.00 179.01 179.82 3i3n h GLU 264 N 0.00 0.92 -0.73 2.33 3.07 -1.95 -1.57 114.58 116.65 3i3n h GLU 264 Ca -0.00 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3i3n h GLU 264 Cb 0.36 -0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 3i3n h GLU 264 CO 0.01 0.61 0.45 0.28 -1.40 0.00 0.00 179.01 178.95 3i3n h VAL 265 N 0.95 1.06 -0.72 3.13 2.07 -1.89 -1.64 116.25 119.21 3i3n h VAL 265 Ca 0.41 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.75 3i3n h VAL 265 Cb 0.28 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3i3n h VAL 265 CO -0.21 0.16 0.48 -0.07 0.02 0.00 0.00 177.57 177.94 3i3n h LEU 266 N 0.85 0.46 -0.22 2.57 3.38 -1.42 0.22 115.31 121.17 3i3n h LEU 266 Ca 0.30 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 3i3n h LEU 266 Cb 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3i3n h LEU 266 CO -0.13 0.26 -0.14 0.15 0.09 0.00 0.00 178.44 178.67 3i3n h PHE 267 N 0.51 0.55 -0.31 1.13 3.57 -1.19 -1.52 116.94 119.69 3i3n h PHE 267 Ca 0.34 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3i3n h PHE 267 Cb 0.64 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3i3n h PHE 267 CO -0.00 0.78 0.15 0.93 -2.23 0.00 0.00 178.31 177.94 3i3n h GLU 268 N 0.17 0.42 -0.24 1.11 5.08 -0.70 -2.06 114.58 118.36 3i3n h GLU 268 Ca 0.04 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3i3n h GLU 268 Cb 0.65 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3i3n h GLU 268 CO 0.04 0.33 -0.23 1.15 -1.00 0.00 0.00 179.01 179.30 3i3n h THR 269 N 0.43 1.31 -0.48 1.13 2.02 -0.40 -2.55 112.91 114.38 3i3n h THR 269 Ca 0.11 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 3i3n h THR 269 Cb 0.04 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3i3n h THR 269 CO -0.02 0.43 0.26 0.58 0.37 0.00 0.00 175.52 177.15 3i3n h VAL 270 N 0.30 1.17 -0.28 3.16 2.07 -0.82 -1.28 116.25 120.56 3i3n h VAL 270 Ca 0.04 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.19 3i3n h VAL 270 Cb 0.78 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3i3n h VAL 270 CO 0.06 0.18 -0.01 -0.07 0.02 0.00 0.00 177.57 177.74 3i3n h LEU 271 N 0.63 -0.13 -0.65 2.57 3.38 -1.34 -1.71 115.31 118.05 3i3n h LEU 271 Ca 0.17 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3i3n h LEU 271 Cb 0.05 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3i3n h LEU 271 CO -0.03 -0.03 0.43 0.11 0.09 0.00 0.00 178.44 179.01 3i3n h LYS 272 N 0.07 0.86 -0.75 1.13 1.57 -1.16 0.22 116.57 118.51 3i3n h LYS 272 Ca 0.13 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3i3n h LYS 272 Cb 0.18 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3i3n h LYS 272 CO -0.24 0.58 0.48 2.35 -0.57 0.00 0.00 179.45 182.05 3i3n h TRP 273 N 0.89 0.91 -0.15 -1.35 7.01 -0.77 -1.06 115.95 121.42 3i3n h TRP 273 Ca 0.24 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.19 3i3n h TRP 273 Cb -0.09 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.66 3i3n h TRP 273 CO -0.03 0.53 -0.19 0.28 -2.79 0.00 0.00 178.44 176.25 3i3n h VAL 274 N 0.95 1.35 0.00 2.65 2.07 -0.87 -3.07 116.25 119.34 3i3n h VAL 274 Ca 0.29 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3i3n h VAL 274 Cb -0.02 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3i3n h VAL 274 CO -0.10 0.41 0.00 1.56 0.02 0.00 0.00 177.57 179.46 3i3n h GLN 275 N 0.01 0.00 -0.34 1.57 4.20 -0.28 -2.10 115.11 118.17 3i3n h GLN 275 Ca 0.02 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3i3n h GLN 275 Cb 0.74 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3i3n h GLN 275 CO 0.04 0.00 -0.13 -0.09 -0.67 0.00 0.00 178.83 177.99 3i3n h ARG 276 N 0.00 0.59 -1.06 1.46 9.65 -1.09 -3.37 114.38 120.56 3i3n h ARG 276 Ca 0.00 -0.18 -0.35 0.00 -1.10 0.00 0.00 59.98 58.34 3i3n h ARG 276 Cb 0.14 -0.06 -0.25 0.00 -1.39 0.00 0.00 29.97 28.41 3i3n h ARG 276 CO 0.00 0.71 -0.73 -1.71 2.80 0.00 0.00 179.97 181.03 3i3n n ASN 277 N -4.18 -1.81 -0.34 -3.80 2.85 -0.84 -5.02 115.26 102.11 3i3n n ASN 277 Ca 0.01 -2.94 0.08 0.00 -0.11 0.00 0.00 54.58 51.62 3i3n n ASN 277 Cb 0.34 0.80 0.18 0.00 1.24 0.00 0.00 39.78 42.34 3i3n n ASN 277 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i3n n ALA 278 N 1.96 0.31 -0.38 5.20 0.00 -0.92 -1.87 120.51 124.81 3i3n n ALA 278 Ca 0.17 1.04 0.00 0.00 0.00 0.00 0.00 53.44 54.65 3i3n n ALA 278 Cb 0.57 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3i3n n ALA 278 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i3n n GLU 279 N -5.51 0.00 -0.02 0.00 -0.58 -1.26 -1.55 120.64 111.72 3i3n n GLU 279 Ca 0.17 0.73 0.13 0.00 -0.42 0.00 0.00 57.16 57.78 3i3n n GLU 279 Cb 0.55 -1.31 0.59 0.00 -0.57 0.00 0.00 31.44 30.70 3i3n n GLU 279 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i3n n GLU 280 N -2.12 1.43 -0.08 3.49 1.02 -1.15 -4.32 120.64 118.92 3i3n n GLU 280 Ca 0.00 -0.64 -0.09 0.00 -0.02 0.00 0.00 57.16 56.41 3i3n n GLU 280 Cb 0.00 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 29.90 3i3n n GLU 280 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i3n n ARG 281 N -0.20 1.00 0.34 3.49 1.74 -0.78 -4.55 116.66 117.69 3i3n n ARG 281 Ca 0.19 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.45 3i3n n ARG 281 Cb 0.25 -1.33 0.66 0.00 -1.02 0.00 0.00 32.46 31.02 3i3n n ARG 281 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3i3n h GLU 282 N 0.00 0.00 0.00 5.56 5.08 -1.47 0.23 114.58 123.98 3i3n h GLU 282 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3i3n h GLU 282 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3i3n h GLU 282 CO -0.03 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.87 3i3n n ARG 283 N -2.81 0.37 -0.00 2.33 1.85 -1.26 -3.35 116.66 113.78 3i3n n ARG 283 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 57.85 56.92 3i3n n ARG 283 Cb 0.50 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.31 3i3n n ARG 283 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3i3n n TYR 284 N -1.31 0.00 -0.35 2.89 0.53 0.81 -4.69 117.16 115.04 3i3n n TYR 284 Ca 0.13 0.00 -0.03 0.00 -1.02 0.00 0.00 57.90 56.98 3i3n n TYR 284 Cb 0.24 -0.25 0.02 0.00 -1.03 0.00 0.00 39.34 38.33 3i3n n TYR 284 CO 0.00 0.00 0.00 0.35 -1.02 0.00 0.00 176.86 176.19 3i3n h PHE 285 N 0.00 -1.13 -0.62 -0.72 3.57 -1.59 -1.51 116.94 114.94 3i3n h PHE 285 Ca 0.00 0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.67 3i3n h PHE 285 Cb 0.59 0.62 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 3i3n h PHE 285 CO 0.00 -0.40 0.31 1.49 -2.23 0.00 0.00 178.31 177.48 3i3n h GLU 286 N -0.04 0.56 -0.16 1.11 4.81 -1.84 0.54 114.58 119.57 3i3n h GLU 286 Ca 0.31 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 3i3n h GLU 286 Cb 0.58 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3i3n h GLU 286 CO -0.92 0.37 -0.25 1.49 -0.73 0.00 0.00 179.01 178.96 3i3n h GLU 287 N 0.57 0.29 -0.05 1.92 4.81 -1.63 -2.18 114.58 118.31 3i3n h GLU 287 Ca 0.29 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 3i3n h GLU 287 Cb 0.23 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3i3n h GLU 287 CO -0.21 0.53 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.04 3i3n h LEU 288 N 0.26 0.51 -0.80 1.64 3.38 -0.57 -3.28 115.31 116.45 3i3n h LEU 288 Ca 0.04 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.40 3i3n h LEU 288 Cb 0.59 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3i3n h LEU 288 CO 0.04 1.14 0.45 0.15 0.09 0.00 0.00 178.44 180.31 3i3n h PHE 289 N -0.07 0.81 0.00 1.13 3.57 0.22 0.41 116.94 123.01 3i3n h PHE 289 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3i3n h PHE 289 Cb 1.17 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3i3n h PHE 289 CO 0.13 0.33 0.00 0.87 -2.23 0.00 0.00 178.31 177.41 3i3n h LYS 290 N 0.76 0.00 0.00 1.11 1.57 -1.45 -1.59 116.57 116.96 3i3n h LYS 290 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3i3n h LYS 290 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3i3n h LYS 290 CO -0.25 0.00 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.11 3i3n h LEU 291 N 0.00 0.00-10.04 2.94 3.38 -1.00 -3.46 115.31 107.13 3i3n h LEU 291 Ca 0.00 -0.13 -0.46 0.00 0.09 0.00 0.00 57.88 57.38 3i3n h LEU 291 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3i3n h LEU 291 CO 0.00 0.06 0.37 -0.76 0.09 0.00 0.00 178.44 178.21 3i3n s LEU 292 N -4.55 3.94 -0.85 1.67 1.43 -0.60 -4.88 118.68 114.85 3i3n s LEU 292 Ca 0.07 1.87 -0.10 0.00 -1.03 0.00 0.00 54.13 54.93 3i3n s LEU 292 Cb 0.12 -4.47 0.22 0.00 0.03 0.00 0.00 46.19 42.09 3i3n s LEU 292 CO 0.69 -0.57 0.77 -0.13 0.23 0.00 0.00 176.35 177.34 3i3n s ARG 293 N -3.05 3.50 0.30 1.70 0.52 -1.26 -4.89 118.95 115.77 3i3n s ARG 293 Ca 0.63 -2.69 0.01 0.00 -0.52 0.00 0.00 55.73 53.16 3i3n s ARG 293 Cb -0.15 -4.28 0.52 0.00 0.52 0.00 0.00 34.95 31.56 3i3n s ARG 293 CO 0.19 -1.26 1.90 -0.07 0.02 0.00 0.00 175.30 176.08 3i3n h LEU 294 N 7.27 0.92 -0.56 2.53 3.38 -1.94 -0.68 115.31 126.24 3i3n h LEU 294 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i3n h LEU 294 Cb 0.97 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3i3n h LEU 294 CO 0.80 0.58 0.09 -1.54 0.09 0.00 0.00 178.44 178.46 3i3n n SER 295 N -4.50 0.22 -3.42 -0.43 3.41 -1.26 -4.76 113.62 102.87 3i3n n SER 295 Ca 0.14 0.55 -0.39 0.00 -0.26 0.00 0.00 58.87 58.91 3i3n n SER 295 Cb 0.22 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 3i3n n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3n n GLN 296 N -1.77 4.73 -4.32 4.33 1.13 -0.26 -4.99 117.38 116.23 3i3n n GLN 296 Ca -0.01 -4.49 -0.34 0.00 -1.94 0.00 0.00 57.00 50.22 3i3n n GLN 296 Cb 0.10 -2.41 -0.11 0.00 0.11 0.00 0.00 30.24 27.94 3i3n n GLN 296 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i3n s LYS 298 N -4.19 3.45 0.47 -1.09 1.02 -1.26 -4.72 119.74 113.41 3i3n s LYS 298 Ca 0.42 -0.44 0.26 0.00 0.02 0.00 0.00 55.97 56.23 3i3n s LYS 298 Cb 0.25 -2.92 1.31 0.00 -0.52 0.00 0.00 37.83 35.95 3i3n s LYS 298 CO -0.18 0.43 1.82 -1.35 -0.92 0.00 0.00 175.35 175.15 3i3n h PRO 299 N 6.08 0.20 0.67 -1.68 0.11 -1.98 -0.62 132.00 134.76 3i3n h PRO 299 Ca -0.40 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 3i3n h PRO 299 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3i3n h PRO 299 CO 0.61 0.13 -0.46 1.15 -0.21 0.00 0.00 178.00 179.21 3i3n h THR 300 N 0.20 0.07 -0.58 -1.15 2.02 -2.03 -2.15 112.91 109.29 3i3n h THR 300 Ca 0.53 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.74 3i3n h THR 300 Cb 1.70 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3i3n h THR 300 CO -0.14 0.00 0.34 0.22 0.37 0.00 0.00 175.52 176.32 3i3n h TYR 301 N -1.08 0.64 -0.44 3.16 3.20 -1.57 0.19 116.97 121.08 3i3n h TYR 301 Ca -0.08 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.86 3i3n h TYR 301 Cb 0.89 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 3i3n h TYR 301 CO -0.14 0.35 0.14 -0.07 -1.64 0.00 0.00 178.16 176.80 3i3n h LEU 302 N 0.67 0.13 0.00 2.82 3.38 -1.09 0.36 115.31 121.57 3i3n h LEU 302 Ca 0.24 0.06 -0.25 0.00 0.09 0.00 0.00 57.88 58.02 3i3n h LEU 302 Cb 0.06 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3i3n h LEU 302 CO -0.12 0.10 -1.40 0.71 0.09 0.00 0.00 178.44 177.83 3i3n h THR 303 N 0.30 1.11 0.00 0.22 1.35 -1.25 -0.51 112.91 114.13 3i3n h THR 303 Ca 0.21 -2.86 -0.26 0.00 -0.55 0.00 0.00 66.41 62.94 3i3n h THR 303 Cb 0.22 2.53 -0.04 0.00 -1.73 0.00 0.00 68.15 69.12 3i3n h THR 303 CO -0.23 0.63 -1.47 -0.09 -0.25 0.00 0.00 175.52 174.11 3i3n h ARG 304 N 0.00 0.01 0.00 4.72 2.43 -0.46 -3.39 114.38 117.68 3i3n h ARG 304 Ca -0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3i3n h ARG 304 Cb 1.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 3i3n h ARG 304 CO 0.09 0.68 -0.87 0.72 -1.51 0.00 0.00 179.97 179.08 3i3n n HIS 305 N -3.16 0.00 0.18 2.20 8.25 0.11 -4.70 115.22 118.11 3i3n n HIS 305 Ca -0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.27 3i3n n HIS 305 Cb 1.01 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.09 3i3n n HIS 305 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3i3n h VAL 306 N 0.00 0.00 -0.99 1.59 2.07 -1.20 -3.24 116.25 114.47 3i3n h VAL 306 Ca 0.00 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.22 3i3n h VAL 306 Cb 0.87 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 3i3n h VAL 306 CO 0.00 0.00 0.64 0.50 0.02 0.00 0.00 177.57 178.73 3i3n h LYS 307 N -0.89 1.11 0.00 1.57 3.64 -1.31 -2.63 116.57 118.05 3i3n h LYS 307 Ca -0.05 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3i3n h LYS 307 Cb 0.39 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3i3n h LYS 307 CO 0.09 0.73 -0.15 -1.35 -2.27 0.00 0.00 179.45 176.50 3i3n h PRO 308 N 1.14 0.00 -6.71 1.90 0.11 -1.76 -3.34 132.00 123.34 3i3n h PRO 308 Ca 0.43 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 66.02 3i3n h PRO 308 Cb 0.20 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.38 3i3n h PRO 308 CO -0.18 0.15 0.97 -2.00 -0.21 0.00 0.00 178.00 176.74 3i3n s GLU 309 N -3.99 4.12 0.16 1.05 2.56 -0.99 -4.82 118.70 116.79 3i3n s GLU 309 Ca -0.02 2.60 -0.26 0.00 0.00 0.00 0.00 54.97 57.29 3i3n s GLU 309 Cb 0.12 -3.06 0.02 0.00 2.00 0.00 0.00 34.13 33.21 3i3n s GLU 309 CO 0.60 -0.71 1.57 0.00 -0.56 0.00 0.00 175.26 176.15 3i3n h ARG 310 N 6.13 -0.26 -0.64 4.30 3.08 -1.89 -0.86 114.38 124.24 3i3n h ARG 310 Ca -0.44 0.02 0.17 0.00 0.07 0.00 0.00 59.98 59.80 3i3n h ARG 310 Cb 1.21 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 3i3n h ARG 310 CO 0.90 -0.17 0.45 -0.07 -1.07 0.00 0.00 179.97 180.01 3i3n h LEU 311 N -0.27 0.07 0.02 3.04 3.38 -1.95 -1.27 115.31 118.34 3i3n h LEU 311 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3i3n h LEU 311 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3i3n h LEU 311 CO -0.63 0.04 -0.14 0.58 0.09 0.00 0.00 178.44 178.37 3i3n h VAL 312 N 0.08 1.72 -0.68 1.22 2.07 -1.50 -3.30 116.25 115.86 3i3n h VAL 312 Ca 0.31 -2.29 0.03 0.00 0.82 0.00 0.00 66.70 65.57 3i3n h VAL 312 Cb 1.11 3.26 -0.04 0.00 -1.52 0.00 0.00 31.29 34.10 3i3n h VAL 312 CO -0.03 0.61 0.42 0.00 0.02 0.00 0.00 177.57 178.59 3i3n h ALA 313 N 0.06 0.88 0.00 1.67 0.00 -0.65 -2.63 119.26 118.59 3i3n h ALA 313 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i3n h ALA 313 Cb 1.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3i3n h ALA 313 CO 0.03 0.18 0.00 -0.91 0.00 0.00 0.00 179.25 178.55 3i3n h ASN 314 N 0.82 0.00 -3.62 0.00 2.35 -1.41 -3.41 115.58 110.31 3i3n h ASN 314 Ca 0.27 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.35 3i3n h ASN 314 Cb 0.03 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 38.15 3i3n h ASN 314 CO -0.11 0.00 -0.60 0.21 -1.65 0.00 0.00 177.43 175.28 3i3n s ASN 315 N -5.22 5.28 0.30 5.81 3.84 -0.99 -4.97 114.94 118.98 3i3n s ASN 315 Ca 0.02 -0.69 0.00 0.00 0.21 0.00 0.00 52.86 52.41 3i3n s ASN 315 Cb 0.09 -1.92 0.47 0.00 -0.55 0.00 0.00 41.25 39.34 3i3n s ASN 315 CO 0.50 -0.21 1.86 1.05 -2.79 0.00 0.00 177.10 177.51 3i3n h GLU 316 N 8.27 0.76 0.00 0.43 4.11 -1.80 -1.39 114.58 124.97 3i3n h GLU 316 Ca -0.31 -0.14 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 3i3n h GLU 316 Cb 1.13 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3i3n h GLU 316 CO 0.61 0.68 -0.16 0.28 0.07 0.00 0.00 179.01 180.50 3i3n h VAL 317 N 0.74 1.07 0.07 -1.06 2.07 -1.93 -0.41 116.25 116.80 3i3n h VAL 317 Ca 0.17 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 3i3n h VAL 317 Cb 0.26 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3i3n h VAL 317 CO -0.00 0.15 -0.54 0.00 0.02 0.00 0.00 177.57 177.20 3i3n h VAL 319 N -0.66 1.19 -0.02 0.00 2.07 -1.13 -1.00 116.25 116.69 3i3n h VAL 319 Ca -0.10 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3i3n h VAL 319 Cb 1.36 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3i3n h VAL 319 CO 0.06 0.20 -0.03 0.50 0.02 0.00 0.00 177.57 178.33 3i3n h LYS 320 N 0.88 -0.04 -0.99 1.57 1.63 -1.16 -1.09 116.57 117.37 3i3n h LYS 320 Ca 0.23 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.07 3i3n h LYS 320 Cb -0.00 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 3i3n h LYS 320 CO -0.04 -0.02 0.64 -0.07 -3.45 0.00 0.00 179.45 176.51 3i3n h LEU 321 N -0.04 1.06 -0.40 5.20 3.38 -1.00 -1.15 115.31 122.36 3i3n h LEU 321 Ca 0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3i3n h LEU 321 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3i3n h LEU 321 CO -0.05 0.72 0.09 0.58 0.09 0.00 0.00 178.44 179.88 3i3n h VAL 322 N 1.23 1.23 -0.14 1.22 2.07 -0.86 -1.77 116.25 119.24 3i3n h VAL 322 Ca 0.40 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3i3n h VAL 322 Cb 0.03 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3i3n h VAL 322 CO -0.13 0.27 -0.02 0.00 0.02 0.00 0.00 177.57 177.71 3i3n h ALA 323 N 0.95 0.10 -1.00 1.67 0.00 -0.60 0.55 119.26 120.92 3i3n h ALA 323 Ca 0.13 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3i3n h ALA 323 Cb 0.32 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3i3n h ALA 323 CO 0.00 -0.47 0.66 -0.44 0.00 0.00 0.00 179.25 178.99 3i3n h ASP 324 N 0.01 1.09 -0.06 0.00 3.32 -1.14 0.43 116.42 120.08 3i3n h ASP 324 Ca 0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3i3n h ASP 324 Cb 0.09 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 3i3n h ASP 324 CO -0.13 0.74 0.02 0.00 -1.72 0.00 0.00 179.24 178.16 3i3n h ALA 325 N 1.41 0.07 -0.78 3.45 0.00 -0.55 0.10 119.26 122.97 3i3n h ALA 325 Ca 0.40 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.27 3i3n h ALA 325 Cb 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3i3n h ALA 325 CO -0.13 -0.35 0.51 0.28 0.00 0.00 0.00 179.25 179.57 3i3n h VAL 326 N -0.06 1.10 -0.44 0.00 2.07 -0.37 -0.78 116.25 117.79 3i3n h VAL 326 Ca 0.02 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3i3n h VAL 326 Cb 0.15 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 3i3n h VAL 326 CO -0.00 0.17 0.03 -0.08 0.02 0.00 0.00 177.57 177.71 3i3n h GLU 327 N 0.94 0.75 -0.45 1.57 4.81 -0.46 -2.80 114.58 118.93 3i3n h GLU 327 Ca 0.32 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3i3n h GLU 327 Cb 0.09 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3i3n h GLU 327 CO -0.10 0.80 0.27 -0.09 -0.73 0.00 0.00 179.01 179.17 3i3n h ARG 328 N 0.60 0.54 -0.67 1.92 9.65 0.23 -1.38 114.38 125.26 3i3n h ARG 328 Ca 0.13 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 59.08 3i3n h ARG 328 Cb 0.44 -0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 28.82 3i3n h ARG 328 CO 0.02 0.36 0.28 0.45 2.80 0.00 0.00 179.97 183.87 3i3n h HIS 329 N 0.55 0.49 -0.45 2.20 3.86 -1.01 0.29 115.15 121.09 3i3n h HIS 329 Ca 0.17 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.29 3i3n h HIS 329 Cb -0.01 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3i3n h HIS 329 CO -0.06 0.13 -0.22 0.00 0.86 0.00 0.00 177.93 178.64 3i3n h ALA 330 N 1.45 0.77 -0.34 2.45 0.00 -1.19 -1.67 119.26 120.72 3i3n h ALA 330 Ca 0.34 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3i3n h ALA 330 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i3n h ALA 330 CO -0.32 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.57 3i3n h LEU 331 N 0.79 0.55 0.00 0.00 3.38 -0.27 -1.06 115.31 118.70 3i3n h LEU 331 Ca 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3i3n h LEU 331 Cb 0.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3i3n h LEU 331 CO 0.06 0.67 0.00 -2.11 0.09 0.00 0.00 178.44 177.16 3i3n n ARG 332 N -4.58 0.73 0.04 1.13 1.85 0.93 -3.39 116.66 113.37 3i3n n ARG 332 Ca -0.02 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.95 3i3n n ARG 332 Cb 0.23 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.29 3i3n n ARG 332 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i3n n ALA 333 N -1.01 3.13 1.25 2.89 0.00 -0.40 -3.87 120.51 122.50 3i3n n ALA 333 Ca 0.17 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.45 3i3n n ALA 333 Cb 0.08 -1.12 0.43 0.00 0.00 0.00 0.00 19.45 18.84 3i3n n ALA 333 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i3n n GLU 334 N -1.96 0.70 0.00 0.00 1.02 -1.22 -5.08 120.64 114.09 3i3n n GLU 334 Ca 0.03 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 3i3n n GLU 334 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3i3n n GLU 334 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40