#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i12 s LYS 3 N 0.00 4.01 0.14 0.00 1.02 -1.26 -5.01 119.74 118.65 3i12 s LYS 3 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 3i12 s LYS 3 Cb 0.00 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.94 3i12 s LYS 3 CO 0.00 0.51 1.10 -0.51 -0.92 0.00 0.00 175.35 175.53 3i12 s LEU 4 N -0.45 4.46 -0.24 3.17 1.43 -0.94 -4.72 118.68 121.39 3i12 s LEU 4 Ca 0.21 2.02 -0.26 0.00 -1.03 0.00 0.00 54.13 55.08 3i12 s LEU 4 Cb -0.15 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3i12 s LEU 4 CO 0.10 -0.25 0.90 -0.13 0.23 0.00 0.00 176.35 177.19 3i12 s ARG 5 N 0.01 4.20 -0.26 1.70 0.52 -1.26 -0.97 118.95 122.88 3i12 s ARG 5 Ca 0.51 1.07 -0.07 0.00 -0.52 0.00 0.00 55.73 56.71 3i12 s ARG 5 Cb -0.28 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.52 3i12 s ARG 5 CO 0.33 -0.57 0.08 0.08 0.02 0.00 0.00 175.30 175.24 3i12 s VAL 6 N 2.98 4.23 -0.37 3.52 1.01 0.94 -0.62 120.40 132.08 3i12 s VAL 6 Ca 0.38 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 3i12 s VAL 6 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3i12 s VAL 6 CO 0.07 0.26 0.37 -0.83 0.00 0.00 0.00 175.10 174.98 3i12 s GLY 7 N 1.59 1.91 -0.28 4.51 0.00 0.38 -0.89 107.32 114.55 3i12 s GLY 7 Ca 0.05 -1.35 -0.19 0.00 0.00 0.00 0.00 44.72 43.23 3i12 s GLY 7 CO 0.03 1.02 0.55 -0.42 0.00 0.00 0.00 173.10 174.29 3i12 s ILE 8 N 2.00 5.02 -0.29 0.90 1.01 -0.78 -0.08 121.20 128.99 3i12 s ILE 8 Ca 0.11 0.84 -0.09 0.00 0.00 0.00 0.00 60.65 61.51 3i12 s ILE 8 Cb -0.17 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 3i12 s ILE 8 CO 0.12 -0.00 0.14 -0.69 0.00 0.00 0.00 174.94 174.50 3i12 s VAL 9 N 2.41 4.67 0.18 2.92 1.01 -0.50 -0.60 120.40 130.48 3i12 s VAL 9 Ca 0.22 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3i12 s VAL 9 Cb -0.15 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 3i12 s VAL 9 CO 0.10 0.18 0.28 0.72 0.00 0.00 0.00 175.10 176.38 3i12 s PHE 10 N 1.65 0.53 0.00 5.22 -0.12 -1.03 0.29 117.98 124.51 3i12 s PHE 10 Ca 0.06 -0.87 0.00 0.00 -0.05 0.00 0.00 56.93 56.06 3i12 s PHE 10 Cb -0.16 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.11 3i12 s PHE 10 CO 0.06 -0.74 0.00 0.41 -0.05 0.00 0.00 175.22 174.91 3i12 n GLY 11 N -0.24 0.90 0.00 1.99 0.00 -1.26 -0.34 105.19 106.24 3i12 n GLY 11 Ca -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3i12 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i12 n GLY 12 N 0.00 1.57 0.18 -0.02 0.00 0.48 -4.38 105.19 103.02 3i12 n GLY 12 Ca 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 44.06 3i12 n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i12 h LYS 13 N 0.00 0.00 -7.10 1.61 1.57 -1.75 -3.36 116.57 107.54 3i12 h LYS 13 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3i12 h LYS 13 Cb 0.00 0.00 0.21 0.00 0.08 0.00 0.00 32.23 32.52 3i12 h LYS 13 CO 0.00 0.43 -0.06 0.45 -0.57 0.00 0.00 179.45 179.69 3i12 n SER 14 N -3.99 -0.52 0.29 0.86 2.88 -1.26 -4.89 113.62 107.00 3i12 n SER 14 Ca -0.02 0.39 0.18 0.00 -1.33 0.00 0.00 58.87 58.09 3i12 n SER 14 Cb 0.46 -1.38 0.83 0.00 -0.75 0.00 0.00 64.21 63.36 3i12 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i12 h ALA 15 N -1.77 1.04 -0.13 -1.46 0.00 -1.89 -2.30 119.26 112.75 3i12 h ALA 15 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i12 h ALA 15 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i12 h ALA 15 CO 0.39 0.04 0.00 0.39 0.00 0.00 0.00 179.25 180.06 3i12 n GLU 16 N -3.18 1.46 -0.25 0.00 4.71 -1.26 -4.41 120.64 117.71 3i12 n GLU 16 Ca -0.01 -0.53 0.02 0.00 -0.01 0.00 0.00 57.16 56.64 3i12 n GLU 16 Cb 0.24 -1.30 0.10 0.00 -1.01 0.00 0.00 31.44 29.48 3i12 n GLU 16 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3i12 h HIS 17 N 0.78 -0.29 -0.46 -0.32 2.76 -1.61 0.62 115.15 116.63 3i12 h HIS 17 Ca 0.00 0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 3i12 h HIS 17 Cb 0.39 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3i12 h HIS 17 CO 0.13 -0.29 -0.15 0.93 -1.30 0.00 0.00 177.93 177.25 3i12 h GLU 18 N 0.03 0.86 -0.55 5.26 3.07 -1.87 0.63 114.58 122.01 3i12 h GLU 18 Ca 0.37 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.36 58.80 3i12 h GLU 18 Cb 0.59 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 3i12 h GLU 18 CO -0.73 0.96 -0.07 0.28 -1.40 0.00 0.00 179.01 178.05 3i12 h VAL 19 N 0.77 1.27 -0.68 3.13 2.07 -1.42 -2.76 116.25 118.62 3i12 h VAL 19 Ca 0.12 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.50 3i12 h VAL 19 Cb 0.67 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 3i12 h VAL 19 CO 0.05 0.43 0.35 -1.28 0.02 0.00 0.00 177.57 177.14 3i12 h SER 20 N 0.90 0.47 -0.98 0.57 0.87 -0.30 0.84 113.55 115.92 3i12 h SER 20 Ca 0.15 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 3i12 h SER 20 Cb 0.62 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 3i12 h SER 20 CO 0.04 0.28 0.63 -0.07 -0.53 0.00 0.00 176.83 177.18 3i12 h LEU 21 N 0.61 0.96 0.09 2.23 3.38 -0.64 -0.86 115.31 121.08 3i12 h LEU 21 Ca 0.33 0.02 -0.29 0.00 0.09 0.00 0.00 57.88 58.03 3i12 h LEU 21 Cb 0.30 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 40.90 3i12 h LEU 21 CO -0.24 0.57 -1.23 0.06 0.09 0.00 0.00 178.44 177.69 3i12 h GLN 22 N 1.06 0.52 -0.77 1.13 -0.00 -0.89 -1.10 115.11 115.07 3i12 h GLN 22 Ca 0.45 -0.72 0.13 0.00 -0.00 0.00 0.00 58.65 58.51 3i12 h GLN 22 Cb 0.32 0.24 -0.09 0.00 -0.00 0.00 0.00 27.48 27.95 3i12 h GLN 22 CO -0.20 1.32 0.34 0.77 -0.00 0.00 0.00 178.83 181.06 3i12 h SER 23 N 0.22 0.37 -0.32 0.06 0.02 -0.70 -1.92 113.55 111.28 3i12 h SER 23 Ca -0.17 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3i12 h SER 23 Cb 1.90 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.48 3i12 h SER 23 CO 0.23 0.16 -0.07 0.00 -1.14 0.00 0.00 176.83 176.01 3i12 h ALA 24 N 1.53 0.44 -0.45 3.77 0.00 -0.93 -0.95 119.26 122.66 3i12 h ALA 24 Ca 0.41 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3i12 h ALA 24 Cb 0.58 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3i12 h ALA 24 CO -0.37 0.26 0.18 -0.22 0.00 0.00 0.00 179.25 179.11 3i12 h LYS 25 N 0.39 0.35 -0.31 0.00 3.64 -0.90 -0.92 116.57 118.83 3i12 h LYS 25 Ca 0.08 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 3i12 h LYS 25 Cb 0.55 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3i12 h LYS 25 CO 0.03 0.23 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.24 3i12 h ASN 26 N 0.37 0.66 -0.51 4.20 2.35 -1.13 -1.52 115.58 120.00 3i12 h ASN 26 Ca 0.21 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3i12 h ASN 26 Cb 0.18 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3i12 h ASN 26 CO -0.19 0.92 0.10 0.40 -1.65 0.00 0.00 177.43 177.01 3i12 h ILE 27 N 0.55 1.24 -0.23 2.81 2.04 -0.79 -0.65 117.51 122.48 3i12 h ILE 27 Ca 0.07 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.95 3i12 h ILE 27 Cb 0.79 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3i12 h ILE 27 CO 0.06 0.33 -0.19 0.58 0.00 0.00 0.00 178.15 178.94 3i12 h VAL 28 N 0.85 1.24 0.21 1.67 2.07 -0.92 -1.41 116.25 119.94 3i12 h VAL 28 Ca 0.18 -1.09 -0.32 0.00 0.82 0.00 0.00 66.70 66.29 3i12 h VAL 28 Cb 0.35 1.27 0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3i12 h VAL 28 CO 0.00 0.35 -1.39 0.44 0.02 0.00 0.00 177.57 176.99 3i12 h ASP 29 N 0.37 0.74 1.29 0.57 3.32 -0.89 -3.35 116.42 118.48 3i12 h ASP 29 Ca 0.06 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.33 3i12 h ASP 29 Cb 0.55 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3i12 h ASP 29 CO 0.04 1.61 -0.43 0.00 -1.72 0.00 0.00 179.24 178.73 3i12 h ALA 30 N 0.29 0.75 -2.63 3.45 0.00 -0.89 -3.48 119.26 116.75 3i12 h ALA 30 Ca -0.22 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 3i12 h ALA 30 Cb 2.09 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.92 3i12 h ALA 30 CO 0.25 0.00 0.80 -1.50 0.00 0.00 0.00 179.25 178.80 3i12 s ILE 31 N -3.21 2.84 -0.76 0.00 2.07 -0.55 -4.18 121.20 117.41 3i12 s ILE 31 Ca 0.06 0.63 -0.25 0.00 -1.41 0.00 0.00 60.65 59.68 3i12 s ILE 31 Cb 0.10 -3.40 -0.15 0.00 0.13 0.00 0.00 42.46 39.14 3i12 s ILE 31 CO 0.70 0.06 2.40 -0.67 -1.91 0.00 0.00 174.94 175.53 3i12 n ASP 32 N 3.47 1.61 0.01 4.50 -0.08 -1.26 -4.80 116.55 119.99 3i12 n ASP 32 Ca 0.11 -1.23 0.00 0.00 -1.51 0.00 0.00 54.79 52.16 3i12 n ASP 32 Cb 0.40 -1.55 0.02 0.00 2.34 0.00 0.00 41.12 42.33 3i12 n ASP 32 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3i12 n LYS 33 N 8.58 0.01 0.07 -0.67 4.76 -1.26 -1.30 118.16 128.34 3i12 n LYS 33 Ca 0.47 0.36 -0.00 0.00 -2.87 0.00 0.00 58.31 56.27 3i12 n LYS 33 Cb 0.42 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.88 3i12 n LYS 33 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3i12 h THR 34 N 0.00 0.75 0.00 -0.18 1.35 -2.02 -3.37 112.91 109.45 3i12 h THR 34 Ca 0.00 -2.23 -0.28 0.00 -0.55 0.00 0.00 66.41 63.35 3i12 h THR 34 Cb 0.32 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 68.95 3i12 h THR 34 CO 0.00 0.43 -2.27 0.54 -0.25 0.00 0.00 175.52 173.97 3i12 n ARG 35 N -3.06 0.75 -4.79 4.72 1.74 -0.42 -4.95 116.66 110.64 3i12 n ARG 35 Ca -0.05 -0.05 -0.25 0.00 -0.77 0.00 0.00 57.85 56.73 3i12 n ARG 35 Cb 0.82 -1.51 -0.16 0.00 -1.02 0.00 0.00 32.46 30.59 3i12 n ARG 35 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i12 s PHE 36 N -2.70 1.58 -0.16 -1.55 0.08 -0.50 -2.22 117.98 112.51 3i12 s PHE 36 Ca -0.09 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 3i12 s PHE 36 Cb 0.08 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.43 3i12 s PHE 36 CO 0.82 -0.10 0.25 -0.51 -0.10 0.00 0.00 175.22 175.58 3i12 s ASP 37 N -0.13 6.40 -0.09 1.36 1.01 -0.15 -4.25 116.67 120.82 3i12 s ASP 37 Ca 0.01 0.47 -0.09 0.00 0.71 0.00 0.00 52.55 53.64 3i12 s ASP 37 Cb -0.09 -2.15 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 3i12 s ASP 37 CO 0.01 0.16 0.22 0.54 0.21 0.00 0.00 175.17 176.32 3i12 s VAL 38 N 0.19 5.36 -0.10 -1.27 0.11 -1.26 -0.04 120.40 123.39 3i12 s VAL 38 Ca 0.15 0.40 0.04 0.00 -2.93 0.00 0.00 61.98 59.64 3i12 s VAL 38 Cb -0.13 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 3i12 s VAL 38 CO 0.03 0.60 -0.22 0.54 -3.33 0.00 0.00 175.10 172.72 3i12 s VAL 39 N -0.99 1.92 -0.41 2.04 0.11 -0.06 -4.90 120.40 118.10 3i12 s VAL 39 Ca 0.18 -0.93 -0.22 0.00 -2.93 0.00 0.00 61.98 58.08 3i12 s VAL 39 Cb -0.13 -1.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.06 3i12 s VAL 39 CO 0.07 0.53 0.71 -0.76 -3.33 0.00 0.00 175.10 172.31 3i12 s LEU 40 N 0.46 4.31 -0.86 2.54 1.43 -1.26 -1.87 118.68 123.43 3i12 s LEU 40 Ca -0.17 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3i12 s LEU 40 Cb -0.17 -2.86 0.22 0.00 0.03 0.00 0.00 46.19 43.40 3i12 s LEU 40 CO 0.07 -0.78 0.75 -0.76 0.23 0.00 0.00 176.35 175.86 3i12 s LEU 41 N 3.00 5.74 -0.05 1.79 1.02 0.23 -0.56 118.68 129.85 3i12 s LEU 41 Ca 0.27 -3.38 -0.25 0.00 0.02 0.00 0.00 54.13 50.79 3i12 s LEU 41 Cb -0.13 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.06 3i12 s LEU 41 CO 0.19 -0.29 0.76 -0.83 0.02 0.00 0.00 176.35 176.20 3i12 s GLY 42 N 0.54 2.69 -0.25 -3.19 0.00 -0.48 -2.45 107.32 104.18 3i12 s GLY 42 Ca 0.24 0.22 -0.10 0.00 0.00 0.00 0.00 44.72 45.09 3i12 s GLY 42 CO -0.09 1.28 0.14 -0.42 0.00 0.00 0.00 173.10 174.01 3i12 s ILE 43 N 0.82 5.02 0.99 0.90 -1.09 0.54 -0.34 121.20 128.03 3i12 s ILE 43 Ca 0.41 0.07 -0.16 0.00 -2.23 0.00 0.00 60.65 58.73 3i12 s ILE 43 Cb -0.18 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3i12 s ILE 43 CO 0.20 0.32 -0.20 0.47 -1.23 0.00 0.00 174.94 174.50 3i12 n ASP 44 N 4.64 -3.66 0.13 3.58 8.00 -0.36 -0.39 116.55 128.49 3i12 n ASP 44 Ca -0.15 0.21 0.11 0.00 0.71 0.00 0.00 54.79 55.68 3i12 n ASP 44 Cb 0.52 -0.98 0.50 0.00 -0.02 0.00 0.00 41.12 41.14 3i12 n ASP 44 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i12 n LYS 45 N 0.10 0.17 0.08 -1.24 5.02 -1.26 -0.52 118.16 120.52 3i12 n LYS 45 Ca 0.02 0.47 0.12 0.00 -2.02 0.00 0.00 58.31 56.90 3i12 n LYS 45 Cb 0.57 -1.87 0.23 0.00 -0.02 0.00 0.00 35.03 33.94 3i12 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i12 h ALA 46 N 2.21 0.72 0.00 7.82 0.00 -1.92 -3.39 119.26 124.71 3i12 h ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i12 h ALA 46 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i12 h ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3i12 n GLY 47 N 1.31 0.57 3.77 0.00 0.00 0.33 -4.94 105.19 106.23 3i12 n GLY 47 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3i12 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i12 s GLN 48 N -0.95 4.63 0.12 1.61 -0.21 -1.26 -4.81 119.66 118.78 3i12 s GLN 48 Ca 0.00 1.25 -0.22 0.00 0.02 0.00 0.00 55.36 56.41 3i12 s GLN 48 Cb 0.00 -3.17 -0.07 0.00 1.00 0.00 0.00 33.01 30.77 3i12 s GLN 48 CO 0.00 0.50 0.67 -1.58 -2.12 0.00 0.00 175.29 172.77 3i12 s TRP 49 N -1.25 3.85 0.07 0.91 0.52 -1.26 -1.23 118.94 120.55 3i12 s TRP 49 Ca 0.40 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.99 3i12 s TRP 49 Cb -0.23 -2.64 -0.03 0.00 -1.15 0.00 0.00 33.47 29.42 3i12 s TRP 49 CO 0.27 0.54 -0.07 -1.01 0.02 0.00 0.00 176.95 176.70 3i12 s HIS 50 N -1.08 0.80 -0.38 -1.98 3.76 0.54 -1.07 115.29 115.88 3i12 s HIS 50 Ca 0.32 -0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 54.36 3i12 s HIS 50 Cb -0.21 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.01 3i12 s HIS 50 CO 0.23 -0.11 0.43 0.08 -0.85 0.00 0.00 174.74 174.52 3i12 s VAL 51 N -2.50 5.09 0.32 -0.90 1.01 -1.25 -1.38 120.40 120.79 3i12 s VAL 51 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3i12 s VAL 51 Cb -0.02 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3i12 s VAL 51 CO -0.02 -0.26 0.54 0.20 0.00 0.00 0.00 175.10 175.56 3i12 s ASN 52 N 1.78 6.34 -0.13 3.32 0.01 0.28 -4.89 114.94 121.64 3i12 s ASN 52 Ca 0.14 0.52 -0.15 0.00 -0.71 0.00 0.00 52.86 52.66 3i12 s ASN 52 Cb -0.16 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 3i12 s ASN 52 CO 0.13 -0.26 0.36 -1.81 -1.51 0.00 0.00 177.10 174.01 3i12 s ASP 53 N -3.75 6.55 0.39 -1.22 1.01 -1.25 -4.15 116.67 114.25 3i12 s ASP 53 Ca 0.41 0.65 0.13 0.00 0.71 0.00 0.00 52.55 54.44 3i12 s ASP 53 Cb -0.10 -2.22 0.94 0.00 1.01 0.00 0.00 42.92 42.56 3i12 s ASP 53 CO 0.34 0.10 1.89 0.00 0.21 0.00 0.00 175.17 177.72 3i12 h ALA 54 N 6.43 1.99 0.20 5.23 0.00 -1.98 -1.85 119.26 129.29 3i12 h ALA 54 Ca -0.43 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 3i12 h ALA 54 Cb 1.18 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.91 3i12 h ALA 54 CO 0.74 -0.21 -1.36 0.93 0.00 0.00 0.00 179.25 179.35 3i12 h GLU 55 N 0.54 0.56 -3.48 0.00 3.07 -2.02 -3.41 114.58 109.83 3i12 h GLU 55 Ca 0.41 -0.87 -0.66 0.00 -0.50 0.00 0.00 59.36 57.74 3i12 h GLU 55 Cb 0.80 0.31 -0.39 0.00 -0.84 0.00 0.00 28.75 28.63 3i12 h GLU 55 CO -0.16 1.41 -0.55 1.21 -1.40 0.00 0.00 179.01 179.52 3i12 s ASN 56 N -7.49 4.61 0.00 1.42 2.47 -0.70 -4.77 114.94 110.47 3i12 s ASN 56 Ca -0.10 -2.94 0.00 0.00 0.42 0.00 0.00 52.86 50.24 3i12 s ASN 56 Cb 0.04 -1.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.14 3i12 s ASN 56 CO 0.94 -0.28 0.00 0.00 -3.72 0.00 0.00 177.10 174.04 3i12 n TYR 57 N 3.25 0.00 -5.24 0.43 0.18 -1.19 -3.80 117.16 110.80 3i12 n TYR 57 Ca 0.06 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.53 3i12 n TYR 57 Cb 0.34 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.14 3i12 n TYR 57 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3i12 s LEU 58 N -1.09 2.06 -0.08 -3.48 1.43 -1.26 -0.88 118.68 115.38 3i12 s LEU 58 Ca 0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 3i12 s LEU 58 Cb 0.00 -1.36 -0.27 0.00 0.03 0.00 0.00 46.19 44.59 3i12 s LEU 58 CO 0.00 0.22 0.52 1.56 0.23 0.00 0.00 176.35 178.88 3i12 h GLN 59 N 6.22 0.25 -2.11 1.70 4.20 -0.75 -3.41 115.11 121.21 3i12 h GLN 59 Ca -0.29 -0.42 -0.56 0.00 0.06 0.00 0.00 58.65 57.44 3i12 h GLN 59 Cb 1.19 0.16 -0.41 0.00 0.30 0.00 0.00 27.48 28.72 3i12 h GLN 59 CO 0.47 1.11 -0.89 0.09 -0.67 0.00 0.00 178.83 178.94 3i12 n ASN 60 N -3.43 2.14 -0.32 1.46 5.03 -1.26 -4.89 115.26 113.99 3i12 n ASN 60 Ca -0.27 -3.16 0.33 0.00 0.87 0.00 0.00 54.58 52.35 3i12 n ASN 60 Cb 1.05 -0.63 0.70 0.00 -1.02 0.00 0.00 39.78 39.89 3i12 n ASN 60 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i12 h ALA 61 N 3.64 2.94 -0.50 5.41 0.00 -1.91 -1.68 119.26 127.16 3i12 h ALA 61 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i12 h ALA 61 Cb 0.77 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3i12 h ALA 61 CO 0.64 -1.30 0.00 -0.40 0.00 0.00 0.00 179.25 178.20 3i12 n ASP 62 N -4.28 3.67 -3.21 0.00 3.85 -1.26 -4.78 116.55 110.55 3i12 n ASP 62 Ca 0.25 -2.30 -0.18 0.00 -0.71 0.00 0.00 54.79 51.85 3i12 n ASP 62 Cb 1.17 -0.49 -0.06 0.00 -1.35 0.00 0.00 41.12 40.39 3i12 n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3i12 s ASP 63 N -0.82 0.57 0.33 -1.12 2.15 -0.63 -5.04 116.67 112.12 3i12 s ASP 63 Ca 0.39 -2.36 0.09 0.00 0.43 0.00 0.00 52.55 51.10 3i12 s ASP 63 Cb 0.25 0.44 0.99 0.00 -0.30 0.00 0.00 42.92 44.29 3i12 s ASP 63 CO 0.20 -0.16 1.57 -0.65 -0.17 0.00 0.00 175.17 175.96 3i12 h PRO 64 N 5.79 0.00 -0.01 4.34 0.11 -1.86 0.36 132.00 140.74 3i12 h PRO 64 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3i12 h PRO 64 Cb 1.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i12 h PRO 64 CO 0.23 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.02 3i12 n ALA 65 N -2.81 2.65 0.00 -0.75 0.00 -1.26 -3.88 120.51 114.46 3i12 n ALA 65 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i12 n ALA 65 Cb 0.97 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3i12 n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i12 n HIS 66 N -0.79 0.00 -1.64 0.00 8.25 0.10 -5.11 115.22 116.04 3i12 n HIS 66 Ca 0.21 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.23 3i12 n HIS 66 Cb 0.13 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 3i12 n HIS 66 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3i12 n ILE 67 N -0.89 1.91 -3.86 1.59 3.06 0.24 -4.54 119.36 116.86 3i12 n ILE 67 Ca 0.00 -0.48 -0.09 0.00 -2.50 0.00 0.00 62.75 59.68 3i12 n ILE 67 Cb 0.00 -1.25 -0.07 0.00 0.54 0.00 0.00 39.64 38.86 3i12 n ILE 67 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i12 s ALA 68 N -0.99 -0.23 -0.18 1.51 0.00 -1.26 -4.85 121.76 115.76 3i12 s ALA 68 Ca 0.58 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 3i12 s ALA 68 Cb -0.65 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3i12 s ALA 68 CO 0.60 -0.53 0.71 -1.17 0.00 0.00 0.00 175.76 175.38 3i12 s LEU 69 N -2.87 4.16 0.14 0.00 2.96 -1.26 0.01 118.68 121.83 3i12 s LEU 69 Ca 0.06 0.98 -0.31 0.00 -0.22 0.00 0.00 54.13 54.64 3i12 s LEU 69 Cb 0.05 -3.04 -0.09 0.00 0.50 0.00 0.00 46.19 43.61 3i12 s LEU 69 CO -0.10 -0.32 1.50 -0.13 -1.32 0.00 0.00 176.35 175.99 3i12 s ARG 70 N 1.98 4.25 0.74 1.98 1.81 -0.06 -4.88 118.95 124.77 3i12 s ARG 70 Ca 0.33 2.26 -0.16 0.00 -1.72 0.00 0.00 55.73 56.44 3i12 s ARG 70 Cb -0.16 -3.20 -0.01 0.00 -0.45 0.00 0.00 34.95 31.13 3i12 s ARG 70 CO 0.11 -0.55 0.71 -0.35 -0.68 0.00 0.00 175.30 174.54 3i12 n PRO 71 N 4.00 0.32 -4.17 3.54 -0.04 -1.26 -4.95 135.00 132.44 3i12 n PRO 71 Ca 0.13 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.58 3i12 n PRO 71 Cb 0.40 -1.99 -0.12 0.00 -0.04 0.00 0.00 33.50 31.74 3i12 n PRO 71 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i12 s SER 72 N -1.60 1.41 -0.07 3.54 0.15 -1.26 -5.04 113.70 110.83 3i12 s SER 72 Ca 0.68 -0.56 -0.25 0.00 0.70 0.00 0.00 55.95 56.53 3i12 s SER 72 Cb -0.34 -0.03 -0.20 0.00 -1.71 0.00 0.00 66.02 63.74 3i12 s SER 72 CO 0.56 -0.09 0.97 0.00 1.20 0.00 0.00 173.24 175.88 3i12 h ALA 73 N 4.50 -0.07 -1.90 5.45 0.00 -1.95 -3.45 119.26 121.85 3i12 h ALA 73 Ca -0.39 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 3i12 h ALA 73 Cb 1.19 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3i12 h ALA 73 CO 0.41 -0.19 1.15 -1.50 0.00 0.00 0.00 179.25 179.12 3i12 s ILE 74 N -3.36 3.71 0.12 0.00 -1.16 -1.26 -5.02 121.20 114.23 3i12 s ILE 74 Ca -0.15 0.75 -0.06 0.00 -0.51 0.00 0.00 60.65 60.68 3i12 s ILE 74 Cb -0.00 -3.86 -0.06 0.00 0.61 0.00 0.00 42.46 39.15 3i12 s ILE 74 CO 0.60 -0.49 0.37 -0.44 -2.81 0.00 0.00 174.94 172.17 3i12 s SER 75 N 4.70 6.51 0.07 4.50 0.01 -1.26 -3.96 113.70 124.27 3i12 s SER 75 Ca 0.70 0.61 0.05 0.00 1.31 0.00 0.00 55.95 58.62 3i12 s SER 75 Cb -0.20 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 3i12 s SER 75 CO 0.31 0.08 -0.03 -0.76 0.41 0.00 0.00 173.24 173.26 3i12 s LEU 76 N -2.48 3.34 0.21 2.44 1.43 -0.23 0.04 118.68 123.43 3i12 s LEU 76 Ca 0.39 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 3i12 s LEU 76 Cb -0.12 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3i12 s LEU 76 CO 0.23 0.20 -0.16 0.00 0.23 0.00 0.00 176.35 176.85 3i12 s ALA 77 N -1.22 2.16 0.00 4.21 0.00 0.30 -4.63 121.76 122.58 3i12 s ALA 77 Ca 0.23 -1.67 0.06 0.00 0.00 0.00 0.00 51.96 50.58 3i12 s ALA 77 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3i12 s ALA 77 CO 0.15 0.14 -0.17 1.14 0.00 0.00 0.00 175.76 177.02 3i12 s GLN 78 N -3.45 2.24 -0.33 0.00 1.03 -1.26 -1.11 119.66 116.78 3i12 s GLN 78 Ca 0.23 -0.87 -0.04 0.00 0.04 0.00 0.00 55.36 54.72 3i12 s GLN 78 Cb -0.03 -2.25 0.05 0.00 0.03 0.00 0.00 33.01 30.82 3i12 s GLN 78 CO 0.08 0.57 0.07 0.08 -2.54 0.00 0.00 175.29 173.55 3i12 s VAL 79 N -0.83 3.35 0.41 3.63 1.01 0.57 -4.99 120.40 123.56 3i12 s VAL 79 Ca 0.13 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.49 3i12 s VAL 79 Cb -0.10 -2.96 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 3i12 s VAL 79 CO 0.03 -0.20 1.46 -2.65 0.00 0.00 0.00 175.10 173.74 3i12 n PRO 80 N 4.70 2.47 0.00 2.72 -0.02 -1.26 -3.04 135.00 140.57 3i12 n PRO 80 Ca -0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3i12 n PRO 80 Cb 0.44 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3i12 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i12 n GLY 81 N 0.52 3.03 3.74 -1.23 0.00 -0.77 -5.01 105.19 105.46 3i12 n GLY 81 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3i12 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i12 s LYS 82 N -0.13 2.10 0.00 1.61 -0.14 -1.17 -4.96 119.74 117.05 3i12 s LYS 82 Ca 0.00 1.47 0.00 0.00 -1.36 0.00 0.00 55.97 56.08 3i12 s LYS 82 Cb 0.00 -1.86 0.00 0.00 -1.68 0.00 0.00 37.83 34.29 3i12 s LYS 82 CO 0.00 -1.81 0.32 0.72 -0.76 0.00 0.00 175.35 173.82 3i12 n HIS 83 N -3.18 0.00 -3.82 3.18 8.25 -1.26 -4.30 115.22 114.09 3i12 n HIS 83 Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.46 3i12 n HIS 83 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 3i12 n HIS 83 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3i12 s GLN 84 N -0.40 0.71 -1.44 -0.41 -0.21 -1.26 -4.90 119.66 111.75 3i12 s GLN 84 Ca 0.00 -0.58 -0.09 0.00 0.02 0.00 0.00 55.36 54.72 3i12 s GLN 84 Cb 0.00 0.30 0.05 0.00 1.00 0.00 0.00 33.01 34.36 3i12 s GLN 84 CO 0.01 -0.21 0.70 0.72 -2.12 0.00 0.00 175.29 174.38 3i12 n HIS 85 N 0.71 -2.06 0.31 0.91 8.25 -1.26 -4.82 115.22 117.25 3i12 n HIS 85 Ca -0.19 0.63 0.17 0.00 -0.26 0.00 0.00 57.72 58.07 3i12 n HIS 85 Cb 0.59 -3.90 0.72 0.00 1.12 0.00 0.00 29.99 28.52 3i12 n HIS 85 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3i12 h GLN 86 N -1.51 0.00 -5.26 -0.41 7.50 -1.89 -3.42 115.11 110.13 3i12 h GLN 86 Ca -0.51 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 57.99 3i12 h GLN 86 Cb 1.34 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.62 3i12 h GLN 86 CO 0.58 0.00 -0.72 -0.51 -1.50 0.00 0.00 178.83 176.67 3i12 s LEU 87 N -5.80 2.92 0.19 1.46 1.43 -1.26 -0.31 118.68 117.31 3i12 s LEU 87 Ca 0.01 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3i12 s LEU 87 Cb 0.09 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3i12 s LEU 87 CO 0.48 0.14 -0.03 0.27 0.23 0.00 0.00 176.35 177.44 3i12 s ILE 88 N 0.55 0.95 -0.00 -0.59 -4.36 -0.27 -1.31 121.20 116.16 3i12 s ILE 88 Ca -0.06 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.01 3i12 s ILE 88 Cb -0.15 -2.14 -0.07 0.00 1.25 0.00 0.00 42.46 41.35 3i12 s ILE 88 CO 0.03 -0.49 1.75 0.21 0.24 0.00 0.00 174.94 176.68 3i12 s ASN 89 N -3.22 6.59 0.48 4.36 3.84 0.17 -0.54 114.94 126.62 3i12 s ASN 89 Ca 0.24 2.42 0.26 0.00 0.21 0.00 0.00 52.86 55.99 3i12 s ASN 89 Cb 0.05 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.36 3i12 s ASN 89 CO 0.05 -0.96 1.92 0.00 -2.79 0.00 0.00 177.10 175.33 3i12 h ALA 90 N 9.61 1.10 -0.00 1.71 0.00 -0.67 -0.60 119.26 130.42 3i12 h ALA 90 Ca -0.43 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.06 3i12 h ALA 90 Cb 1.20 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.98 3i12 h ALA 90 CO 0.95 0.22 -1.03 0.37 0.00 0.00 0.00 179.25 179.76 3i12 h GLN 91 N 0.00 0.70 0.00 0.00 4.15 -1.91 -3.42 115.11 114.62 3i12 h GLN 91 Ca -0.00 -0.75 0.00 0.00 0.77 0.00 0.00 58.65 58.67 3i12 h GLN 91 Cb 0.59 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.49 3i12 h GLN 91 CO 0.02 1.32 0.00 0.27 -1.93 0.00 0.00 178.83 178.52 3i12 n ASN 92 N -3.87 0.49 0.00 -0.69 0.23 -1.15 -5.00 115.26 105.26 3i12 n ASN 92 Ca -0.11 -1.06 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 3i12 n ASN 92 Cb 0.87 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.57 3i12 n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i12 n GLY 93 N -0.03 1.74 3.69 4.83 0.00 -0.24 -5.00 105.19 110.17 3i12 n GLY 93 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i12 n GLY 93 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i12 s GLN 94 N -0.12 4.15 0.30 1.61 2.00 -1.25 -4.55 119.66 121.80 3i12 s GLN 94 Ca 0.00 2.53 -0.29 0.00 -2.00 0.00 0.00 55.36 55.61 3i12 s GLN 94 Cb 0.00 -3.68 -0.10 0.00 0.80 0.00 0.00 33.01 30.03 3i12 s GLN 94 CO 0.00 -0.84 1.13 -2.14 -0.50 0.00 0.00 175.29 172.94 3i12 s PRO 95 N 2.98 4.53 0.42 1.67 0.02 -1.26 0.46 135.00 143.82 3i12 s PRO 95 Ca 0.80 1.85 -0.15 0.00 0.02 0.00 0.00 61.00 63.52 3i12 s PRO 95 Cb -0.44 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 30.90 3i12 s PRO 95 CO 0.36 0.10 0.86 -0.51 -0.33 0.00 0.00 177.00 177.47 3i12 s LEU 96 N -1.64 3.85 0.61 -5.54 1.02 -0.43 -4.86 118.68 111.69 3i12 s LEU 96 Ca 0.47 1.40 -0.19 0.00 0.02 0.00 0.00 54.13 55.82 3i12 s LEU 96 Cb -0.32 -4.27 -0.02 0.00 0.02 0.00 0.00 46.19 41.59 3i12 s LEU 96 CO 0.42 -0.40 1.31 -2.84 0.02 0.00 0.00 176.35 174.86 3i12 s PRO 97 N -3.57 2.75 0.23 1.29 0.02 -1.26 -4.63 135.00 129.84 3i12 s PRO 97 Ca 0.56 2.09 -0.32 0.00 0.02 0.00 0.00 61.00 63.36 3i12 s PRO 97 Cb -0.10 -1.97 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 3i12 s PRO 97 CO 0.24 -1.45 1.63 2.41 -0.33 0.00 0.00 177.00 179.51 3i12 n THR 98 N -1.63 0.38 -3.14 0.99 -1.04 -1.26 -4.89 114.28 103.69 3i12 n THR 98 Ca 0.14 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.05 61.66 3i12 n THR 98 Cb 0.47 -1.85 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 3i12 n THR 98 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i12 s VAL 99 N 0.68 5.07 0.06 12.58 1.01 -1.26 -4.77 120.40 133.76 3i12 s VAL 99 Ca 0.72 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.95 3i12 s VAL 99 Cb -0.55 -3.94 -0.24 0.00 0.00 0.00 0.00 36.38 31.65 3i12 s VAL 99 CO 0.39 0.20 1.07 0.44 0.00 0.00 0.00 175.10 177.21 3i12 h ASP 100 N 7.08 0.15 -4.58 3.32 3.32 -1.24 -3.47 116.42 120.99 3i12 h ASP 100 Ca -0.37 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.39 3i12 h ASP 100 Cb 1.17 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.46 3i12 h ASP 100 CO 0.76 1.15 -0.21 0.68 -1.72 0.00 0.00 179.24 179.90 3i12 s VAL 101 N -2.66 0.03 -0.14 -1.35 -7.23 -1.09 -4.32 120.40 103.63 3i12 s VAL 101 Ca -0.03 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 59.82 3i12 s VAL 101 Cb 0.09 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 3i12 s VAL 101 CO 0.84 -0.14 0.12 -0.63 -0.31 0.00 0.00 175.10 174.98 3i12 s ILE 102 N -0.75 5.31 -0.45 -0.62 -1.09 0.37 -0.47 121.20 123.51 3i12 s ILE 102 Ca -0.08 0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.44 3i12 s ILE 102 Cb -0.04 -3.34 0.12 0.00 -1.58 0.00 0.00 42.46 37.62 3i12 s ILE 102 CO 0.04 0.56 0.26 0.12 -1.23 0.00 0.00 174.94 174.68 3i12 s PHE 103 N -0.53 3.54 0.02 3.97 5.99 0.89 -0.98 117.98 130.88 3i12 s PHE 103 Ca 0.12 -2.38 -0.26 0.00 0.00 0.00 0.00 56.93 54.41 3i12 s PHE 103 Cb -0.12 -3.27 -0.05 0.00 0.00 0.00 0.00 43.02 39.59 3i12 s PHE 103 CO 0.02 -0.96 0.81 -1.25 -0.00 0.00 0.00 175.22 173.84 3i12 s PRO 104 N 1.00 4.52 -0.08 10.12 0.04 -1.26 -1.41 135.00 147.93 3i12 s PRO 104 Ca 0.09 1.12 0.24 0.00 0.04 0.00 0.00 61.00 62.50 3i12 s PRO 104 Cb -0.23 -3.40 0.44 0.00 0.04 0.00 0.00 34.50 31.35 3i12 s PRO 104 CO -0.04 0.17 1.15 1.51 0.04 0.00 0.00 177.00 179.84 3i12 n ILE 105 N 3.21 0.35 -2.76 0.56 0.13 0.14 -4.91 119.36 116.08 3i12 n ILE 105 Ca -0.00 -1.51 -0.43 0.00 -1.10 0.00 0.00 62.75 59.71 3i12 n ILE 105 Cb 0.50 1.08 -0.04 0.00 -0.84 0.00 0.00 39.64 40.34 3i12 n ILE 105 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 3i12 s VAL 106 N -1.06 4.31 0.38 9.51 1.01 -1.21 -4.64 120.40 128.70 3i12 s VAL 106 Ca 0.31 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 3i12 s VAL 106 Cb 0.36 -4.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 3i12 s VAL 106 CO -0.13 -1.10 0.95 -1.00 0.00 0.00 0.00 175.10 173.83 3i12 s HIS 107 N 4.17 3.47 0.00 5.22 0.09 -1.26 -3.61 115.29 123.37 3i12 s HIS 107 Ca 0.36 1.69 0.00 0.00 -0.00 0.00 0.00 55.06 57.11 3i12 s HIS 107 Cb -0.10 -2.90 0.00 0.00 -0.00 0.00 0.00 32.58 29.57 3i12 s HIS 107 CO 0.23 -0.01 0.00 0.41 -0.00 0.00 0.00 174.74 175.37 3i12 n GLY 108 N -0.05 0.53 0.28 -2.22 0.00 -1.26 -4.60 105.19 97.87 3i12 n GLY 108 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.30 3i12 n GLY 108 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i12 h THR 109 N 0.00 0.27 0.00 2.61 2.02 -1.92 -0.35 112.91 115.54 3i12 h THR 109 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3i12 h THR 109 Cb 0.00 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3i12 h THR 109 CO 0.00 0.01 -1.22 0.18 0.37 0.00 0.00 175.52 174.86 3i12 n LEU 110 N -5.45 0.15 0.04 2.58 4.77 -1.26 -4.29 117.00 113.54 3i12 n LEU 110 Ca 0.12 -0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 3i12 n LEU 110 Cb 0.42 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3i12 n LEU 110 CO 0.01 0.04 -0.18 1.23 -1.33 0.00 0.00 177.39 177.15 3i12 h GLY 111 N 2.21 0.08 0.00 -0.72 0.00 -1.67 -1.90 103.07 101.07 3i12 h GLY 111 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3i12 h GLY 111 CO 0.00 0.18 -1.18 -2.21 0.00 0.00 0.00 176.54 173.33 3i12 n GLU 112 N -3.29 0.49 -0.52 4.80 2.13 -0.15 -4.59 120.64 119.50 3i12 n GLU 112 Ca -0.09 -0.05 0.08 0.00 0.66 0.00 0.00 57.16 57.76 3i12 n GLU 112 Cb 1.00 -1.45 0.30 0.00 0.27 0.00 0.00 31.44 31.56 3i12 n GLU 112 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3i12 n ASP 113 N -1.65 4.04 0.00 4.31 5.68 -1.25 -4.31 116.55 123.37 3i12 n ASP 113 Ca 0.02 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 3i12 n ASP 113 Cb 0.36 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3i12 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i12 n GLY 114 N 0.99 1.79 0.12 6.12 0.00 -1.26 -3.31 105.19 109.64 3i12 n GLY 114 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 3i12 n GLY 114 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i12 h SER 115 N 0.00 -0.15 -0.59 1.61 0.02 -1.89 -1.14 113.55 111.41 3i12 h SER 115 Ca 0.00 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.60 3i12 h SER 115 Cb 0.00 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 3i12 h SER 115 CO 0.00 0.39 0.32 0.25 -1.14 0.00 0.00 176.83 176.65 3i12 h LEU 116 N -0.78 0.46 -0.90 5.07 5.85 -1.62 -2.28 115.31 121.12 3i12 h LEU 116 Ca -0.02 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3i12 h LEU 116 Cb 0.54 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 3i12 h LEU 116 CO 0.03 0.31 0.55 1.56 -0.34 0.00 0.00 178.44 180.55 3i12 h GLN 117 N 0.60 0.95 -0.34 1.25 7.50 -1.82 -0.42 115.11 122.83 3i12 h GLN 117 Ca 0.26 -0.06 0.01 0.00 0.50 0.00 0.00 58.65 59.36 3i12 h GLN 117 Cb 0.16 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.45 3i12 h GLN 117 CO -0.17 0.63 0.21 0.78 -1.50 0.00 0.00 178.83 178.78 3i12 h GLY 118 N 0.98 0.48 0.38 3.46 0.00 -0.65 -0.26 103.07 107.45 3i12 h GLY 118 Ca 0.40 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.63 3i12 h GLY 118 CO -0.20 0.15 -0.06 -0.33 0.00 0.00 0.00 176.54 176.10 3i12 h MET 119 N 0.44 0.02 -0.49 4.80 2.07 -0.98 0.57 114.93 121.35 3i12 h MET 119 Ca 0.13 -0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.65 3i12 h MET 119 Cb -0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3i12 h MET 119 CO -0.05 0.01 -0.14 -0.07 1.07 0.00 0.00 176.91 177.74 3i12 h LEU 120 N 0.02 0.96 -0.63 1.22 3.38 -0.73 -0.56 115.31 118.97 3i12 h LEU 120 Ca 0.16 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3i12 h LEU 120 Cb 0.23 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3i12 h LEU 120 CO -0.32 1.11 0.32 -0.09 0.09 0.00 0.00 178.44 179.55 3i12 h ARG 121 N 0.81 0.57 -0.07 1.13 2.43 -0.86 -1.61 114.38 116.77 3i12 h ARG 121 Ca 0.12 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3i12 h ARG 121 Cb 0.70 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3i12 h ARG 121 CO 0.05 0.38 -0.19 0.28 -1.51 0.00 0.00 179.97 178.98 3i12 h VAL 122 N 0.59 1.17 -0.20 0.20 2.07 0.16 -2.14 116.25 118.10 3i12 h VAL 122 Ca 0.29 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3i12 h VAL 122 Cb 0.24 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3i12 h VAL 122 CO -0.21 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.62 3i12 n ALA 123 N -2.49 2.50 -4.09 1.67 0.00 -0.32 -1.85 120.51 115.93 3i12 n ALA 123 Ca -0.02 -0.45 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 3i12 n ALA 123 Cb 0.28 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3i12 n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i12 n ASN 124 N 0.18 -3.48 -4.60 0.00 4.13 -0.81 -4.70 115.26 105.98 3i12 n ASN 124 Ca 0.12 -0.93 -0.38 0.00 1.68 0.00 0.00 54.58 55.08 3i12 n ASN 124 Cb 0.25 -3.19 -0.10 0.00 -1.54 0.00 0.00 39.78 35.20 3i12 n ASN 124 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3i12 s LEU 125 N -7.23 4.04 0.53 3.41 1.43 -0.68 -4.92 118.68 115.26 3i12 s LEU 125 Ca 0.63 0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.57 3i12 s LEU 125 Cb -0.33 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 3i12 s LEU 125 CO 0.89 -0.05 1.29 -2.84 0.23 0.00 0.00 176.35 175.87 3i12 s PRO 126 N 1.69 3.26 -0.01 1.29 0.02 -1.26 -4.53 135.00 135.46 3i12 s PRO 126 Ca 0.08 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 63.01 3i12 s PRO 126 Cb -0.16 -2.24 0.03 0.00 0.02 0.00 0.00 34.50 32.15 3i12 s PRO 126 CO 0.10 -1.04 0.34 -0.59 -0.33 0.00 0.00 177.00 175.48 3i12 s PHE 127 N -1.40 -0.21 0.28 6.54 -0.12 -1.26 -0.48 117.98 121.34 3i12 s PHE 127 Ca 0.71 0.28 -0.29 0.00 -0.05 0.00 0.00 56.93 57.57 3i12 s PHE 127 Cb -0.36 0.12 -0.10 0.00 -0.63 0.00 0.00 43.02 42.06 3i12 s PHE 127 CO 0.42 -0.43 1.09 0.08 -0.05 0.00 0.00 175.22 176.33 3i12 s VAL 128 N -1.52 3.53 0.00 -2.49 1.01 -0.15 -4.65 120.40 116.12 3i12 s VAL 128 Ca -0.12 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3i12 s VAL 128 Cb -0.04 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3i12 s VAL 128 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3i12 n GLY 129 N 1.18 -1.83 3.81 4.51 0.00 -1.26 -4.58 105.19 107.01 3i12 n GLY 129 Ca -0.01 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3i12 n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i12 s SER 130 N -4.00 6.10 0.15 1.61 0.01 -0.69 -4.46 113.70 112.42 3i12 s SER 130 Ca 0.00 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.07 3i12 s SER 130 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3i12 s SER 130 CO 0.00 -0.95 0.00 -0.67 0.41 0.00 0.00 173.24 172.03 3i12 n ASP 131 N -1.62 0.00 0.38 2.44 2.03 -1.26 -4.72 116.55 113.81 3i12 n ASP 131 Ca 0.09 -0.46 -0.18 0.00 0.52 0.00 0.00 54.79 54.75 3i12 n ASP 131 Cb 0.53 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.84 3i12 n ASP 131 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i12 h VAL 132 N -0.15 0.30 0.26 5.18 2.07 -1.89 -0.84 116.25 121.18 3i12 h VAL 132 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3i12 h VAL 132 Cb 0.00 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3i12 h VAL 132 CO 0.00 0.00 -0.12 0.25 0.02 0.00 0.00 177.57 177.72 3i12 h LEU 133 N -0.96 -0.29 -0.44 2.57 5.85 -1.95 0.28 115.31 120.38 3i12 h LEU 133 Ca -0.10 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3i12 h LEU 133 Cb 0.73 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3i12 h LEU 133 CO 0.16 -0.12 0.29 -1.28 -0.34 0.00 0.00 178.44 177.15 3i12 h SER 134 N -0.45 0.50 0.27 1.25 0.87 -1.76 0.19 113.55 114.42 3i12 h SER 134 Ca -0.04 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3i12 h SER 134 Cb 0.34 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3i12 h SER 134 CO 0.06 0.36 -0.13 0.28 -0.53 0.00 0.00 176.83 176.87 3i12 h SER 135 N 0.59 -0.31 -0.62 6.23 0.02 -1.08 -0.14 113.55 118.24 3i12 h SER 135 Ca 0.16 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 3i12 h SER 135 Cb -0.06 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 3i12 h SER 135 CO -0.04 -0.18 0.27 0.00 -1.14 0.00 0.00 176.83 175.73 3i12 h ALA 136 N 0.32 0.81 -0.56 3.77 0.00 -0.73 -2.40 119.26 120.47 3i12 h ALA 136 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i12 h ALA 136 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3i12 h ALA 136 CO 0.06 -0.13 0.18 0.00 0.00 0.00 0.00 179.25 179.36 3i12 h ALA 137 N 1.39 0.73 0.00 0.00 0.00 -0.43 -2.32 119.26 118.63 3i12 h ALA 137 Ca 0.30 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3i12 h ALA 137 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i12 h ALA 137 CO -0.27 0.39 -0.37 0.00 0.00 0.00 0.00 179.25 179.00 3i12 h MET 139 N 0.00 0.00 -4.75 0.00 1.85 -1.23 -3.42 114.93 107.39 3i12 h MET 139 Ca -0.00 0.00 -0.70 0.00 -0.61 0.00 0.00 59.70 58.38 3i12 h MET 139 Cb 0.93 0.00 -0.19 0.00 0.43 0.00 0.00 31.60 32.76 3i12 h MET 139 CO 0.05 0.29 -0.06 0.34 -0.40 0.00 0.00 176.91 177.13 3i12 s ASP 140 N -6.29 6.20 0.38 1.39 -1.08 -0.89 -4.15 116.67 112.23 3i12 s ASP 140 Ca 0.03 -1.06 0.07 0.00 -0.52 0.00 0.00 52.55 51.07 3i12 s ASP 140 Cb 0.08 -2.26 0.75 0.00 -1.46 0.00 0.00 42.92 40.03 3i12 s ASP 140 CO 0.68 -0.83 1.95 0.11 0.52 0.00 0.00 175.17 177.61 3i12 h LYS 141 N 8.93 0.44 -0.14 4.34 1.57 -1.21 -0.25 116.57 130.26 3i12 h LYS 141 Ca -0.28 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3i12 h LYS 141 Cb 1.10 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3i12 h LYS 141 CO 0.95 0.43 -0.04 0.22 -0.57 0.00 0.00 179.45 180.44 3i12 h ASP 142 N 0.43 0.27 -0.08 0.86 3.58 -1.91 -2.17 116.42 117.40 3i12 h ASP 142 Ca 0.10 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 3i12 h ASP 142 Cb 0.21 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 3i12 h ASP 142 CO -0.00 0.58 0.03 0.58 -2.88 0.00 0.00 179.24 177.55 3i12 h VAL 143 N -0.05 1.15 -0.43 2.25 2.07 -1.71 -1.04 116.25 118.49 3i12 h VAL 143 Ca 0.03 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.17 3i12 h VAL 143 Cb 0.47 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3i12 h VAL 143 CO 0.01 0.13 0.13 0.00 0.02 0.00 0.00 177.57 177.86 3i12 h ALA 144 N 0.87 0.50 -0.62 1.67 0.00 -1.07 -0.97 119.26 119.64 3i12 h ALA 144 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i12 h ALA 144 Cb 0.18 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3i12 h ALA 144 CO -0.00 -0.27 0.25 0.87 0.00 0.00 0.00 179.25 180.10 3i12 h LYS 145 N 0.28 0.90 -0.54 0.00 1.57 -1.20 0.84 116.57 118.42 3i12 h LYS 145 Ca 0.21 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3i12 h LYS 145 Cb 0.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3i12 h LYS 145 CO -0.23 0.73 0.05 0.00 -0.57 0.00 0.00 179.45 179.42 3i12 h ARG 146 N 0.88 0.89 -0.40 3.15 3.08 -0.62 -0.23 114.38 121.13 3i12 h ARG 146 Ca 0.21 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 3i12 h ARG 146 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3i12 h ARG 146 CO -0.02 0.85 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.37 3i12 h LEU 147 N 0.83 0.95 -0.31 3.04 3.38 -0.52 -1.13 115.31 121.55 3i12 h LEU 147 Ca 0.17 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3i12 h LEU 147 Cb 0.43 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3i12 h LEU 147 CO 0.01 1.19 -0.01 -0.07 0.09 0.00 0.00 178.44 179.65 3i12 h LEU 148 N 0.72 0.53 -0.82 1.67 3.38 -0.60 -1.81 115.31 118.39 3i12 h LEU 148 Ca 0.08 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3i12 h LEU 148 Cb 0.88 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3i12 h LEU 148 CO 0.08 0.72 0.52 -0.09 0.09 0.00 0.00 178.44 179.75 3i12 h ARG 149 N 0.34 0.96 0.00 1.13 2.43 -1.02 -0.88 114.38 117.35 3i12 h ARG 149 Ca 0.09 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3i12 h ARG 149 Cb 0.45 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3i12 h ARG 149 CO 0.02 0.64 -0.39 0.22 -1.51 0.00 0.00 179.97 178.94 3i12 h ASP 150 N 0.99 0.00 0.34 -3.80 3.58 -0.88 -1.80 116.42 114.86 3i12 h ASP 150 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 3i12 h ASP 150 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3i12 h ASP 150 CO -0.13 0.39 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 3i12 n ALA 151 N -2.40 2.43 -0.69 -0.78 0.00 -0.63 -4.88 120.51 113.57 3i12 n ALA 151 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i12 n ALA 151 Cb 0.45 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3i12 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i12 n GLY 152 N 0.96 0.65 3.92 0.00 0.00 -0.68 -5.06 105.19 104.98 3i12 n GLY 152 Ca 0.16 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3i12 n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i12 s LEU 153 N 0.00 4.02 0.08 0.99 1.43 -0.43 -5.00 118.68 119.77 3i12 s LEU 153 Ca 0.00 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 3i12 s LEU 153 Cb 0.00 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 3i12 s LEU 153 CO 0.00 -0.25 1.00 0.20 0.23 0.00 0.00 176.35 177.53 3i12 s ASN 154 N -3.61 7.40 0.01 2.29 0.02 -1.26 -4.24 114.94 115.55 3i12 s ASN 154 Ca 0.42 1.81 -0.00 0.00 -1.02 0.00 0.00 52.86 54.06 3i12 s ASN 154 Cb -0.10 -2.58 -0.01 0.00 0.02 0.00 0.00 41.25 38.57 3i12 s ASN 154 CO 0.34 -0.17 -0.01 -0.63 0.02 0.00 0.00 177.10 176.64 3i12 s ILE 155 N 0.34 0.09 0.16 0.60 1.09 -1.26 -0.52 121.20 121.69 3i12 s ILE 155 Ca 0.50 -0.72 -0.32 0.00 -1.10 0.00 0.00 60.65 59.00 3i12 s ILE 155 Cb -0.24 -0.22 -0.12 0.00 -1.06 0.00 0.00 42.46 40.82 3i12 s ILE 155 CO 0.30 -0.40 1.76 0.00 -0.10 0.00 0.00 174.94 176.50 3i12 n ALA 156 N 1.87 2.41 -1.60 9.38 0.00 -1.26 -4.95 120.51 126.36 3i12 n ALA 156 Ca -0.22 0.37 -0.46 0.00 0.00 0.00 0.00 53.44 53.13 3i12 n ALA 156 Cb 0.56 -2.54 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 3i12 n ALA 156 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i12 n PRO 157 N 4.65 1.41 -3.91 0.00 -0.02 -1.26 -4.80 135.00 131.07 3i12 n PRO 157 Ca 0.17 0.50 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 3i12 n PRO 157 Cb 0.35 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3i12 n PRO 157 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3i12 s PHE 158 N -0.69 0.08 0.05 6.00 -0.12 -1.26 -0.77 117.98 121.27 3i12 s PHE 158 Ca 0.64 -0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 56.99 3i12 s PHE 158 Cb -0.73 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3i12 s PHE 158 CO 0.57 -1.19 -0.03 0.96 -0.05 0.00 0.00 175.22 175.48 3i12 s ILE 159 N -3.75 0.21 -0.09 -4.49 -4.36 0.17 -4.99 121.20 103.89 3i12 s ILE 159 Ca 0.16 -1.73 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 3i12 s ILE 159 Cb -0.04 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.26 3i12 s ILE 159 CO 0.09 -0.95 -0.22 -0.89 0.24 0.00 0.00 174.94 173.21 3i12 s THR 160 N -3.72 1.88 -0.05 8.37 2.01 -1.26 -1.31 115.64 121.55 3i12 s THR 160 Ca 0.05 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 3i12 s THR 160 Cb 0.07 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3i12 s THR 160 CO -0.09 0.52 0.17 -0.76 -0.69 0.00 0.00 174.62 173.77 3i12 s LEU 161 N 0.41 4.38 0.45 4.42 1.43 0.19 -4.93 118.68 125.02 3i12 s LEU 161 Ca -0.18 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 3i12 s LEU 161 Cb -0.18 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3i12 s LEU 161 CO 0.08 0.32 0.04 0.42 0.23 0.00 0.00 176.35 177.44 3i12 s THR 162 N -1.21 1.14 0.25 5.49 -4.23 -1.26 -1.15 115.64 114.66 3i12 s THR 162 Ca 0.23 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.07 3i12 s THR 162 Cb -0.12 -2.41 0.36 0.00 1.34 0.00 0.00 72.50 71.67 3i12 s THR 162 CO 0.13 0.00 2.04 0.03 -0.54 0.00 0.00 174.62 176.28 3i12 h ARG 163 N 1.62 0.00 -0.01 3.99 2.47 -1.98 -2.25 114.38 118.22 3i12 h ARG 163 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 3i12 h ARG 163 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3i12 h ARG 163 CO 0.70 0.05 -0.68 0.25 0.56 0.00 0.00 179.97 180.85 3i12 n THR 164 N -3.22 0.00 0.03 2.04 -2.24 -1.26 -4.37 114.28 105.25 3i12 n THR 164 Ca -0.00 -0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.63 3i12 n THR 164 Cb 0.28 1.09 0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3i12 n THR 164 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i12 n ASN 165 N -0.90 1.72 -0.23 3.42 2.04 -1.20 -4.83 115.26 115.27 3i12 n ASN 165 Ca 0.05 -1.56 0.04 0.00 -0.44 0.00 0.00 54.58 52.67 3i12 n ASN 165 Cb 0.33 -0.03 0.15 0.00 -2.53 0.00 0.00 39.78 37.71 3i12 n ASN 165 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 3i12 h ARG 166 N 0.47 0.21 -0.01 -3.83 2.43 -1.61 -0.07 114.38 111.98 3i12 h ARG 166 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i12 h ARG 166 Cb 0.33 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3i12 h ARG 166 CO 0.00 0.14 -0.42 0.72 -1.51 0.00 0.00 179.97 178.90 3i12 n HIS 167 N -5.20 0.00 -0.15 2.20 8.25 -1.26 -3.67 115.22 115.39 3i12 n HIS 167 Ca 0.12 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.78 3i12 n HIS 167 Cb 0.42 -0.13 0.59 0.00 1.12 0.00 0.00 29.99 31.99 3i12 n HIS 167 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i12 h ALA 168 N 3.45 2.36 -2.79 -1.41 0.00 -1.34 -3.40 119.26 116.13 3i12 h ALA 168 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3i12 h ALA 168 Cb 0.54 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.14 3i12 h ALA 168 CO 0.00 -0.58 -0.47 -0.06 0.00 0.00 0.00 179.25 178.14 3i12 s PHE 169 N -5.24 3.22 0.71 0.00 0.08 -1.24 -5.09 117.98 110.42 3i12 s PHE 169 Ca -0.07 -0.02 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 3i12 s PHE 169 Cb 0.21 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3i12 s PHE 169 CO 0.76 -0.27 1.07 -1.54 -0.10 0.00 0.00 175.22 175.15 3i12 s SER 170 N 1.74 5.08 0.33 1.36 1.04 -1.26 -4.91 113.70 117.08 3i12 s SER 170 Ca 0.07 1.75 0.03 0.00 0.48 0.00 0.00 55.95 58.28 3i12 s SER 170 Cb -0.17 -2.51 0.57 0.00 0.10 0.00 0.00 66.02 64.01 3i12 s SER 170 CO 0.11 -1.64 1.87 0.15 0.98 0.00 0.00 173.24 174.70 3i12 h PHE 171 N -0.68 0.61 -0.27 5.02 3.57 -1.98 -0.77 116.94 122.45 3i12 h PHE 171 Ca -0.44 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 60.99 3i12 h PHE 171 Cb 1.22 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3i12 h PHE 171 CO 0.59 0.57 0.13 0.00 -2.23 0.00 0.00 178.31 177.37 3i12 h ALA 172 N 1.47 0.34 -0.55 2.41 0.00 -1.98 0.24 119.26 121.20 3i12 h ALA 172 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i12 h ALA 172 Cb 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3i12 h ALA 172 CO 0.01 -0.09 0.30 1.49 0.00 0.00 0.00 179.25 180.95 3i12 h GLU 173 N 0.30 0.56 -0.37 0.00 4.57 -1.69 0.37 114.58 118.31 3i12 h GLU 173 Ca 0.09 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 3i12 h GLU 173 Cb 0.12 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3i12 h GLU 173 CO -0.01 0.37 -0.10 0.28 -1.18 0.00 0.00 179.01 178.37 3i12 h VAL 174 N 0.57 1.28 -0.69 0.32 2.07 -0.94 -1.35 116.25 117.51 3i12 h VAL 174 Ca 0.24 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3i12 h VAL 174 Cb 0.12 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3i12 h VAL 174 CO -0.15 0.39 0.37 -0.08 0.02 0.00 0.00 177.57 178.12 3i12 h GLU 175 N 0.52 0.98 -0.18 1.57 4.81 0.25 -1.13 114.58 121.39 3i12 h GLU 175 Ca 0.09 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 3i12 h GLU 175 Cb 0.61 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3i12 h GLU 175 CO 0.04 0.74 -0.19 0.66 -0.73 0.00 0.00 179.01 179.53 3i12 h SER 176 N 0.96 0.30 -0.15 1.04 4.64 -0.14 -1.03 113.55 119.16 3i12 h SER 176 Ca 0.24 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 3i12 h SER 176 Cb 0.06 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3i12 h SER 176 CO -0.04 0.50 -0.34 0.03 -0.87 0.00 0.00 176.83 176.12 3i12 h ARG 177 N 0.28 0.50 0.00 4.77 2.47 -0.69 -3.41 114.38 118.31 3i12 h ARG 177 Ca 0.05 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 3i12 h ARG 177 Cb 0.50 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3i12 h ARG 177 CO 0.03 0.94 0.00 1.28 0.56 0.00 0.00 179.97 182.79 3i12 n LEU 178 N -4.34 0.45 0.00 3.04 4.77 -0.48 -5.07 117.00 115.36 3i12 n LEU 178 Ca -0.07 -0.64 0.11 0.00 -0.03 0.00 0.00 56.01 55.38 3i12 n LEU 178 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3i12 n LEU 178 CO 0.44 0.11 -0.15 0.61 -1.33 0.00 0.00 177.39 177.06 3i12 n GLY 179 N 0.39 -1.72 3.29 -0.72 0.00 -0.40 -4.56 105.19 101.47 3i12 n GLY 179 Ca 0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 3i12 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i12 s LEU 180 N 0.00 2.28 0.62 0.99 1.43 -1.26 -4.51 118.68 118.23 3i12 s LEU 180 Ca 0.00 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.36 3i12 s LEU 180 Cb 0.00 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3i12 s LEU 180 CO 0.00 0.08 0.96 -2.16 0.23 0.00 0.00 176.35 175.47 3i12 s PRO 181 N -1.79 2.98 0.14 1.29 0.04 -1.26 -4.92 135.00 131.49 3i12 s PRO 181 Ca 0.07 0.20 0.11 0.00 0.04 0.00 0.00 61.00 61.42 3i12 s PRO 181 Cb -0.10 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3i12 s PRO 181 CO 0.04 -0.77 -0.26 -0.51 0.04 0.00 0.00 177.00 175.54 3i12 s LEU 182 N -5.10 2.37 -0.02 -3.56 1.43 -0.06 -1.33 118.68 112.40 3i12 s LEU 182 Ca 0.55 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3i12 s LEU 182 Cb -0.11 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 3i12 s LEU 182 CO 0.48 0.17 -0.08 -0.36 0.23 0.00 0.00 176.35 176.78 3i12 s PHE 183 N -1.21 2.86 -0.08 0.29 0.08 0.15 0.00 117.98 120.07 3i12 s PHE 183 Ca 0.16 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.19 3i12 s PHE 183 Cb -0.10 -1.63 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 3i12 s PHE 183 CO 0.07 0.33 -0.16 0.08 -0.10 0.00 0.00 175.22 175.44 3i12 s VAL 184 N -0.91 1.48 0.01 -0.44 1.01 -0.50 -0.51 120.40 120.54 3i12 s VAL 184 Ca 0.15 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 3i12 s VAL 184 Cb -0.11 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3i12 s VAL 184 CO 0.05 0.43 0.27 -1.59 0.00 0.00 0.00 175.10 174.26 3i12 s LYS 185 N 0.63 0.67 0.55 2.72 -2.85 0.42 -0.98 119.74 120.90 3i12 s LYS 185 Ca -0.14 -0.34 -0.20 0.00 -1.00 0.00 0.00 55.97 54.28 3i12 s LYS 185 Cb -0.16 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.85 3i12 s LYS 185 CO 0.04 -0.19 1.23 -1.25 0.10 0.00 0.00 175.35 175.28 3i12 s PRO 186 N -1.74 3.20 0.35 1.78 0.04 -1.26 0.45 135.00 137.82 3i12 s PRO 186 Ca -0.11 1.90 0.11 0.00 0.04 0.00 0.00 61.00 62.94 3i12 s PRO 186 Cb -0.04 -2.11 0.65 0.00 0.04 0.00 0.00 34.50 33.04 3i12 s PRO 186 CO 0.01 -1.04 1.79 0.00 0.04 0.00 0.00 177.00 177.81 3i12 h ALA 187 N 1.29 1.32 -2.24 8.56 0.00 -1.44 -3.36 119.26 123.39 3i12 h ALA 187 Ca -0.50 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 3i12 h ALA 187 Cb 1.29 -0.07 -0.42 0.00 0.00 0.00 0.00 17.79 18.59 3i12 h ALA 187 CO 0.57 0.50 -0.72 0.09 0.00 0.00 0.00 179.25 179.69 3i12 n ASN 188 N -4.07 3.90 0.00 0.00 4.13 -1.26 -0.81 115.26 117.15 3i12 n ASN 188 Ca -0.02 -3.57 0.00 0.00 1.68 0.00 0.00 54.58 52.67 3i12 n ASN 188 Cb 0.43 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 3i12 n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i12 n GLN 189 N -0.10 0.00 0.00 3.52 1.13 -1.26 -4.99 117.38 115.68 3i12 n GLN 189 Ca 0.30 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 3i12 n GLN 189 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.78 3i12 n GLN 189 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i12 n GLY 190 N 4.78 3.46 3.08 1.08 0.00 -1.26 -4.94 105.19 111.38 3i12 n GLY 190 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 3i12 n GLY 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i12 n SER 191 N 0.00 -4.49 0.00 1.61 3.41 -1.26 -2.53 113.62 110.36 3i12 n SER 191 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 3i12 n SER 191 Cb 0.00 -4.09 0.00 0.00 -0.26 0.00 0.00 64.21 59.86 3i12 n SER 191 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i12 n SER 192 N -2.23 0.00 -4.68 4.04 7.64 -1.26 -4.55 113.62 112.58 3i12 n SER 192 Ca -0.06 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.34 3i12 n SER 192 Cb 0.57 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 3i12 n SER 192 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3i12 n VAL 193 N -1.58 0.52 -0.67 0.44 3.14 -1.05 -0.48 118.33 118.64 3i12 n VAL 193 Ca 0.00 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 3i12 n VAL 193 Cb 0.00 -1.83 0.00 0.00 -1.06 0.00 0.00 33.84 30.95 3i12 n VAL 193 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i12 n GLY 194 N 4.29 0.82 3.71 7.55 0.00 -1.26 -4.62 105.19 115.69 3i12 n GLY 194 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3i12 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i12 s VAL 195 N -3.22 5.10 0.01 1.61 1.01 0.37 -4.27 120.40 121.01 3i12 s VAL 195 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.21 3i12 s VAL 195 Cb 0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3i12 s VAL 195 CO 0.00 0.26 -0.08 -0.44 0.00 0.00 0.00 175.10 174.84 3i12 s SER 196 N 0.78 0.96 -0.00 3.32 0.01 -0.16 -4.98 113.70 113.64 3i12 s SER 196 Ca 0.31 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 57.25 3i12 s SER 196 Cb -0.16 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 3i12 s SER 196 CO 0.14 0.04 0.29 -1.59 0.41 0.00 0.00 173.24 172.53 3i12 s LYS 197 N -0.51 3.65 -0.10 12.44 -2.85 -1.26 -1.41 119.74 129.71 3i12 s LYS 197 Ca 0.01 0.05 0.02 0.00 -1.00 0.00 0.00 55.97 55.04 3i12 s LYS 197 Cb -0.05 -3.11 0.01 0.00 -2.06 0.00 0.00 37.83 32.63 3i12 s LYS 197 CO 0.00 0.67 -0.15 0.08 0.10 0.00 0.00 175.35 176.05 3i12 s VAL 198 N -1.23 1.43 -0.32 1.79 1.01 0.10 -4.97 120.40 118.21 3i12 s VAL 198 Ca 0.26 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3i12 s VAL 198 Cb -0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3i12 s VAL 198 CO 0.14 0.42 0.30 0.00 0.00 0.00 0.00 175.10 175.96 3i12 n ALA 199 N 4.05 2.64 -3.32 5.51 0.00 -1.26 -0.88 120.51 127.24 3i12 n ALA 199 Ca -0.20 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 3i12 n ALA 199 Cb 0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 3i12 n ALA 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i12 s ASN 200 N -1.31 0.15 0.25 0.00 2.20 -1.26 -5.00 114.94 109.97 3i12 s ASN 200 Ca 0.03 -1.07 -0.06 0.00 -0.94 0.00 0.00 52.86 50.82 3i12 s ASN 200 Cb 0.04 0.68 0.27 0.00 -2.00 0.00 0.00 41.25 40.23 3i12 s ASN 200 CO 0.19 -1.32 1.92 -0.08 -2.94 0.00 0.00 177.10 174.86 3i12 h GLU 201 N 2.13 1.29 0.16 3.55 4.81 -1.98 0.01 114.58 124.55 3i12 h GLU 201 Ca -0.27 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3i12 h GLU 201 Cb 1.25 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 3i12 h GLU 201 CO 0.36 0.88 -0.39 0.00 -0.73 0.00 0.00 179.01 179.12 3i12 h ALA 202 N 1.36 -0.71 -0.11 2.92 0.00 -2.00 -2.00 119.26 118.71 3i12 h ALA 202 Ca 0.35 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3i12 h ALA 202 Cb -0.11 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i12 h ALA 202 CO -0.07 -0.96 -0.03 1.96 0.00 0.00 0.00 179.25 180.14 3i12 h GLN 203 N -0.65 -0.01 -0.94 0.00 4.20 -1.85 -2.25 115.11 113.61 3i12 h GLN 203 Ca 0.02 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.98 3i12 h GLN 203 Cb 0.66 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.31 3i12 h GLN 203 CO -0.21 -0.00 0.44 -0.92 -0.67 0.00 0.00 178.83 177.47 3i12 h TYR 204 N -0.01 0.73 0.15 2.96 3.20 -0.88 0.75 116.97 123.87 3i12 h TYR 204 Ca 0.06 0.04 -0.30 0.00 3.14 0.00 0.00 58.73 61.67 3i12 h TYR 204 Cb 0.09 -0.17 0.03 0.00 1.54 0.00 0.00 36.73 38.22 3i12 h TYR 204 CO -0.16 -0.10 -1.29 0.37 -1.64 0.00 0.00 178.16 175.33 3i12 h GLN 205 N 0.37 0.51 -0.07 1.82 5.75 -0.81 -1.72 115.11 120.95 3i12 h GLN 205 Ca 0.62 -0.76 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3i12 h GLN 205 Cb 1.28 0.26 -0.00 0.00 1.07 0.00 0.00 27.48 30.09 3i12 h GLN 205 CO -0.57 1.34 0.03 0.37 -2.65 0.00 0.00 178.83 177.35 3i12 h GLN 206 N 0.19 0.10 -0.76 1.69 4.15 -0.78 -2.26 115.11 117.44 3i12 h GLN 206 Ca -0.19 -0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.37 3i12 h GLN 206 Cb 1.98 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 29.55 3i12 h GLN 206 CO 0.24 0.21 0.26 0.00 -1.93 0.00 0.00 178.83 177.61 3i12 h ALA 207 N 0.89 1.06 -0.15 3.38 0.00 0.59 -1.30 119.26 123.72 3i12 h ALA 207 Ca 0.02 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3i12 h ALA 207 Cb 0.14 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i12 h ALA 207 CO -0.00 -0.27 -0.31 0.28 0.00 0.00 0.00 179.25 178.95 3i12 h VAL 208 N 0.37 1.36 -0.60 0.00 2.07 -1.22 -2.48 116.25 115.75 3i12 h VAL 208 Ca 0.43 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 3i12 h VAL 208 Cb 0.70 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 3i12 h VAL 208 CO -0.46 0.47 0.36 0.00 0.02 0.00 0.00 177.57 177.96 3i12 h ALA 209 N 0.56 0.77 0.23 1.67 0.00 -0.88 -1.45 119.26 120.15 3i12 h ALA 209 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i12 h ALA 209 Cb 0.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i12 h ALA 209 CO 0.07 0.25 -0.16 1.25 0.00 0.00 0.00 179.25 180.66 3i12 h LEU 210 N 0.81 -0.42 -1.03 0.00 5.85 -1.19 -2.83 115.31 116.50 3i12 h LEU 210 Ca 0.22 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.02 3i12 h LEU 210 Cb -0.01 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3i12 h LEU 210 CO -0.04 -0.26 0.64 0.00 -0.34 0.00 0.00 178.44 178.45 3i12 h ALA 211 N 0.36 1.39 0.00 1.25 0.00 -1.17 0.35 119.26 121.43 3i12 h ALA 211 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i12 h ALA 211 Cb 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i12 h ALA 211 CO -0.00 0.48 0.00 1.19 0.00 0.00 0.00 179.25 180.92 3i12 n PHE 212 N -4.47 0.00 0.19 0.00 3.01 -0.57 -1.15 117.46 114.48 3i12 n PHE 212 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.67 3i12 n PHE 212 Cb 0.15 -0.41 0.34 0.00 -0.01 0.00 0.00 39.48 39.54 3i12 n PHE 212 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3i12 h GLU 213 N 0.00 0.00 0.00 -1.08 5.08 -0.06 -3.36 114.58 115.16 3i12 h GLU 213 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i12 h GLU 213 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3i12 h GLU 213 CO 0.00 0.34 -1.69 1.19 -1.00 0.00 0.00 179.01 177.85 3i12 n PHE 214 N -3.46 0.00 -3.90 4.33 3.72 -0.30 -5.04 117.46 112.81 3i12 n PHE 214 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3i12 n PHE 214 Cb 0.51 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 3i12 n PHE 214 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i12 s ASP 215 N -3.77 -0.10 0.00 4.37 -1.08 -1.09 -4.94 116.67 110.05 3i12 s ASP 215 Ca -0.05 -0.76 0.27 0.00 -0.52 0.00 0.00 52.55 51.48 3i12 s ASP 215 Cb 0.10 0.54 0.80 0.00 -1.46 0.00 0.00 42.92 42.90 3i12 s ASP 215 CO 0.65 -1.03 1.60 1.41 0.52 0.00 0.00 175.17 178.32 3i12 n HIS 216 N -0.31 0.00 -4.41 -5.34 8.25 -1.26 -4.35 115.22 107.79 3i12 n HIS 216 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.19 3i12 n HIS 216 Cb 0.62 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 31.56 3i12 n HIS 216 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i12 s LYS 217 N -2.08 0.96 -0.05 -0.41 1.02 -1.26 -3.60 119.74 114.32 3i12 s LYS 217 Ca 0.34 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 56.05 3i12 s LYS 217 Cb 0.20 -0.90 -0.00 0.00 -0.52 0.00 0.00 37.83 36.61 3i12 s LYS 217 CO 0.36 0.13 -0.18 0.08 -0.92 0.00 0.00 175.35 174.83 3i12 s VAL 218 N 0.11 1.51 -0.16 3.17 1.01 -0.30 -1.07 120.40 124.68 3i12 s VAL 218 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3i12 s VAL 218 Cb -0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3i12 s VAL 218 CO 0.00 0.43 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 3i12 s VAL 219 N 0.06 4.88 -0.15 2.92 1.01 0.17 0.53 120.40 129.82 3i12 s VAL 219 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3i12 s VAL 219 Cb -0.12 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.12 3i12 s VAL 219 CO 0.03 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 3i12 s VAL 220 N -0.09 1.54 0.06 2.92 1.01 -0.43 -0.44 120.40 124.97 3i12 s VAL 220 Ca 0.07 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3i12 s VAL 220 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3i12 s VAL 220 CO 0.01 0.43 -0.11 -1.83 0.00 0.00 0.00 175.10 173.60 3i12 s GLU 221 N 1.49 0.69 0.25 2.72 -1.05 0.33 -0.66 118.70 122.47 3i12 s GLU 221 Ca 0.04 -0.88 -0.30 0.00 -0.15 0.00 0.00 54.97 53.68 3i12 s GLU 221 Cb -0.13 -0.56 -0.14 0.00 -0.44 0.00 0.00 34.13 32.86 3i12 s GLU 221 CO -0.10 0.11 1.26 0.94 0.95 0.00 0.00 175.26 178.42 3i12 n GLN 222 N 1.30 1.74 -2.40 -4.83 7.27 0.05 -0.67 117.38 119.84 3i12 n GLN 222 Ca -0.21 0.62 -0.42 0.00 0.07 0.00 0.00 57.00 57.05 3i12 n GLN 222 Cb 0.55 -2.17 -0.03 0.00 2.41 0.00 0.00 30.24 30.99 3i12 n GLN 222 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3i12 s GLY 223 N -0.04 2.46 -0.09 1.69 0.00 -0.44 -4.75 107.32 106.14 3i12 s GLY 223 Ca 0.65 0.89 -0.01 0.00 0.00 0.00 0.00 44.72 46.26 3i12 s GLY 223 CO 0.54 2.00 -0.05 -0.42 0.00 0.00 0.00 173.10 175.17 3i12 s ILE 224 N 0.73 3.82 -0.24 0.90 -1.09 -1.26 -4.90 121.20 119.15 3i12 s ILE 224 Ca 0.57 -0.42 -0.10 0.00 -2.23 0.00 0.00 60.65 58.47 3i12 s ILE 224 Cb -0.31 -2.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.93 3i12 s ILE 224 CO 0.31 0.57 0.14 -0.54 -1.23 0.00 0.00 174.94 174.19 3i12 s LYS 225 N -0.53 3.97 0.00 2.79 1.02 -1.26 -5.03 119.74 120.70 3i12 s LYS 225 Ca 0.08 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.75 3i12 s LYS 225 Cb -0.12 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 3i12 s LYS 225 CO 0.02 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 3i12 n GLY 226 N 4.42 0.05 3.84 -3.33 0.00 -1.26 -4.37 105.19 104.54 3i12 n GLY 226 Ca -0.15 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 3i12 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i12 s ARG 227 N -2.00 3.94 -0.35 1.61 0.52 -0.39 -4.76 118.95 117.53 3i12 s ARG 227 Ca 0.00 0.96 -0.11 0.00 -0.52 0.00 0.00 55.73 56.06 3i12 s ARG 227 Cb 0.00 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.34 3i12 s ARG 227 CO 0.00 -0.28 0.20 -1.21 0.02 0.00 0.00 175.30 174.03 3i12 s GLU 228 N -4.05 3.17 -0.05 3.54 2.02 -1.26 -0.40 118.70 121.67 3i12 s GLU 228 Ca 0.59 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.79 3i12 s GLU 228 Cb -0.10 -3.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 3i12 s GLU 228 CO 0.31 -0.54 -0.21 0.42 0.02 0.00 0.00 175.26 175.26 3i12 s ILE 229 N 1.62 2.43 0.19 -1.63 -1.09 -0.37 -1.89 121.20 120.46 3i12 s ILE 229 Ca 0.04 -0.94 0.09 0.00 -2.23 0.00 0.00 60.65 57.61 3i12 s ILE 229 Cb -0.18 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 3i12 s ILE 229 CO 0.08 0.57 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.55 3i12 s GLU 230 N -0.39 1.37 -0.09 2.79 2.02 0.73 -0.42 118.70 124.72 3i12 s GLU 230 Ca 0.03 -1.48 -0.08 0.00 0.02 0.00 0.00 54.97 53.46 3i12 s GLU 230 Cb -0.12 -1.48 0.02 0.00 0.10 0.00 0.00 34.13 32.65 3i12 s GLU 230 CO 0.02 0.30 0.24 0.00 0.02 0.00 0.00 175.26 175.83 3i12 s ALA 232 N 0.13 3.51 -0.10 0.00 0.00 -1.26 -1.26 121.76 122.78 3i12 s ALA 232 Ca -0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 3i12 s ALA 232 Cb -0.02 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 3i12 s ALA 232 CO 0.00 -0.55 0.03 0.08 0.00 0.00 0.00 175.76 175.32 3i12 s VAL 233 N 1.75 4.57 -0.04 0.00 1.01 -0.17 -0.50 120.40 127.03 3i12 s VAL 233 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3i12 s VAL 233 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3i12 s VAL 233 CO 0.11 0.59 -0.11 -0.22 0.00 0.00 0.00 175.10 175.47 3i12 s LEU 234 N -0.75 1.77 0.00 3.92 2.96 0.44 -1.93 118.68 125.09 3i12 s LEU 234 Ca 0.12 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3i12 s LEU 234 Cb -0.12 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 45.90 3i12 s LEU 234 CO 0.02 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 3i12 n GLY 235 N 3.37 1.47 0.00 7.98 0.00 -0.16 0.13 105.19 117.99 3i12 n GLY 235 Ca -0.19 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.79 3i12 n GLY 235 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i12 n ASN 236 N 0.00 0.00 0.18 1.61 3.02 -1.26 -0.84 115.26 117.97 3i12 n ASN 236 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3i12 n ASN 236 Cb 0.00 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.29 3i12 n ASN 236 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3i12 h ASP 237 N 0.00 0.00 -2.25 6.41 3.32 -1.97 -3.39 116.42 118.55 3i12 h ASP 237 Ca 0.00 -0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 3i12 h ASP 237 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 3i12 h ASP 237 CO 0.00 0.00 -0.69 -3.20 -1.72 0.00 0.00 179.24 173.63 3i12 n ASN 238 N -2.96 2.97 -4.74 6.45 5.15 -1.26 -5.09 115.26 115.79 3i12 n ASN 238 Ca 0.03 -3.27 -0.42 0.00 -0.60 0.00 0.00 54.58 50.32 3i12 n ASN 238 Cb 0.53 -0.67 -0.02 0.00 -0.53 0.00 0.00 39.78 39.09 3i12 n ASN 238 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i12 s PRO 239 N -2.10 4.18 0.00 1.20 0.04 -1.26 -4.72 135.00 132.34 3i12 s PRO 239 Ca 0.37 2.46 0.05 0.00 0.04 0.00 0.00 61.00 63.93 3i12 s PRO 239 Cb 0.13 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 3i12 s PRO 239 CO -0.05 -0.57 -0.12 -0.65 0.04 0.00 0.00 177.00 175.65 3i12 s GLN 240 N -0.13 2.38 -0.17 4.56 -1.52 0.12 -4.93 119.66 119.97 3i12 s GLN 240 Ca 0.64 -0.80 -0.05 0.00 -1.95 0.00 0.00 55.36 53.19 3i12 s GLN 240 Cb -0.46 -2.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.94 3i12 s GLN 240 CO 0.43 0.59 0.01 0.00 -0.25 0.00 0.00 175.29 176.07 3i12 s ALA 241 N -0.91 3.19 1.18 6.09 0.00 -1.26 -0.42 121.76 129.64 3i12 s ALA 241 Ca 0.15 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 3i12 s ALA 241 Cb -0.11 -1.73 0.28 0.00 0.00 0.00 0.00 23.12 21.56 3i12 s ALA 241 CO 0.05 0.19 1.07 -1.54 0.00 0.00 0.00 175.76 175.53 3i12 s SER 242 N 0.37 1.02 0.95 0.00 1.04 0.34 -4.99 113.70 112.44 3i12 s SER 242 Ca -0.01 0.92 -0.11 0.00 0.48 0.00 0.00 55.95 57.23 3i12 s SER 242 Cb -0.13 -1.37 0.16 0.00 0.10 0.00 0.00 66.02 64.78 3i12 s SER 242 CO 0.02 -4.09 1.09 0.28 0.98 0.00 0.00 173.24 171.51 3i12 s THR 243 N -2.81 2.41 0.43 2.02 -1.32 -1.26 -4.67 115.64 110.45 3i12 s THR 243 Ca 0.69 0.13 -0.06 0.00 -1.21 0.00 0.00 61.69 61.25 3i12 s THR 243 Cb -0.15 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 3i12 s THR 243 CO 0.58 -0.18 0.74 0.00 -2.21 0.00 0.00 174.62 173.55 3i12 s GLY 245 N -3.82 0.85 -0.07 0.00 0.00 -0.23 -0.51 107.32 103.53 3i12 s GLY 245 Ca 0.47 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3i12 s GLY 245 CO 0.40 -1.16 -0.09 1.85 0.00 0.00 0.00 173.10 174.10 3i12 s GLU 246 N -2.36 2.80 -0.03 2.90 2.12 0.35 -0.19 118.70 124.29 3i12 s GLU 246 Ca 0.02 -0.58 0.07 0.00 0.36 0.00 0.00 54.97 54.84 3i12 s GLU 246 Cb -0.06 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 3i12 s GLU 246 CO 0.01 0.60 -0.25 -1.50 -0.54 0.00 0.00 175.26 173.58 3i12 s ILE 247 N -0.64 2.03 -0.25 -3.70 2.07 -0.79 -0.60 121.20 119.32 3i12 s ILE 247 Ca 0.10 -1.08 0.02 0.00 -1.41 0.00 0.00 60.65 58.27 3i12 s ILE 247 Cb -0.11 -1.70 0.06 0.00 0.13 0.00 0.00 42.46 40.84 3i12 s ILE 247 CO 0.02 0.57 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.85 3i12 s VAL 248 N -0.44 1.89 -0.14 4.00 1.01 -0.44 -4.05 120.40 122.22 3i12 s VAL 248 Ca 0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 3i12 s VAL 248 Cb -0.11 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3i12 s VAL 248 CO 0.01 -0.08 -0.04 -0.76 0.00 0.00 0.00 175.10 174.22 3i12 s LEU 249 N 1.23 3.23 0.40 3.92 1.43 -1.26 -3.19 118.68 124.43 3i12 s LEU 249 Ca -0.07 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 3i12 s LEU 249 Cb -0.19 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3i12 s LEU 249 CO -0.06 0.20 0.15 0.54 0.23 0.00 0.00 176.35 177.42 3i12 s ASN 250 N 0.15 4.39 0.00 2.29 2.20 -1.26 -5.03 114.94 117.68 3i12 s ASN 250 Ca -0.02 -1.06 0.15 0.00 -0.94 0.00 0.00 52.86 51.00 3i12 s ASN 250 Cb -0.14 -0.50 0.49 0.00 -2.00 0.00 0.00 41.25 39.10 3i12 s ASN 250 CO 0.03 -0.48 1.38 -1.54 -2.94 0.00 0.00 177.10 173.55 3i12 n SER 251 N -1.19 1.85 0.15 3.54 3.41 -1.26 -4.38 113.62 115.74 3i12 n SER 251 Ca -0.02 -1.88 0.12 0.00 -0.26 0.00 0.00 58.87 56.83 3i12 n SER 251 Cb 0.64 -0.19 0.11 0.00 -0.26 0.00 0.00 64.21 64.52 3i12 n SER 251 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i12 h GLU 252 N 2.18 0.00 0.00 4.33 5.08 -2.04 -3.55 114.58 120.58 3i12 h GLU 252 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i12 h GLU 252 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3i12 h GLU 252 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 3i12 n PHE 253 N -2.76 0.00 0.00 4.33 3.72 -1.26 -5.26 117.46 116.23 3i12 n PHE 253 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3i12 n PHE 253 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3i12 n PHE 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3i12 n TYR 256 N 0.00 0.00 1.07 1.38 4.11 -1.26 -5.06 117.16 117.40 3i12 n TYR 256 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 3i12 n TYR 256 Cb 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 39.34 39.62 3i12 n TYR 256 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 3i12 n ASP 257 N 0.00 0.00 -2.74 9.48 -0.08 -1.26 -2.95 116.55 119.00 3i12 n ASP 257 Ca 0.00 -0.78 -0.03 0.00 -1.51 0.00 0.00 54.79 52.47 3i12 n ASP 257 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 3i12 n ASP 257 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3i12 n THR 258 N -0.77 0.77 1.07 5.18 -2.24 -1.26 -4.92 114.28 112.11 3i12 n THR 258 Ca 0.07 -2.35 0.01 0.00 -2.27 0.00 0.00 64.05 59.51 3i12 n THR 258 Cb 0.03 1.05 0.06 0.00 -2.10 0.00 0.00 70.33 69.38 3i12 n THR 258 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i12 n LYS 259 N -0.69 1.49 0.00 -0.78 -0.00 -1.15 -2.74 118.16 114.29 3i12 n LYS 259 Ca 0.01 -0.48 0.11 0.00 -0.00 0.00 0.00 58.31 57.95 3i12 n LYS 259 Cb 0.83 -1.41 0.07 0.00 -0.00 0.00 0.00 35.03 34.52 3i12 n LYS 259 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 3i12 n TYR 260 N -0.00 0.00 -4.94 5.58 0.18 -1.26 -4.65 117.16 112.07 3i12 n TYR 260 Ca 0.04 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.50 3i12 n TYR 260 Cb 0.28 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.10 3i12 n TYR 260 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3i12 s ILE 261 N -1.95 2.89 0.43 -3.48 1.09 -1.11 -4.36 121.20 114.71 3i12 s ILE 261 Ca 0.24 -0.77 -0.25 0.00 -1.10 0.00 0.00 60.65 58.76 3i12 s ILE 261 Cb 0.18 -2.13 -0.08 0.00 -1.06 0.00 0.00 42.46 39.37 3i12 s ILE 261 CO 0.33 0.58 1.32 -0.62 -0.10 0.00 0.00 174.94 176.45 3i12 s ASP 262 N -0.48 6.15 -2.03 3.58 2.15 -1.26 -1.13 116.67 123.64 3i12 s ASP 262 Ca 0.06 2.69 0.00 0.00 0.43 0.00 0.00 52.55 55.73 3i12 s ASP 262 Cb -0.12 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 3i12 s ASP 262 CO 0.02 -0.97 0.00 0.47 -0.17 0.00 0.00 175.17 174.52 3i12 n ASP 263 N -0.05 -5.44 -4.23 -0.34 8.00 -1.26 -2.17 116.55 111.06 3i12 n ASP 263 Ca 0.05 0.40 -0.34 0.00 0.71 0.00 0.00 54.79 55.61 3i12 n ASP 263 Cb 0.44 -4.64 -0.05 0.00 -0.02 0.00 0.00 41.12 36.84 3i12 n ASP 263 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i12 n ASN 264 N -1.30 -1.57 0.00 -2.24 4.13 -0.29 -1.00 115.26 112.99 3i12 n ASN 264 Ca -0.20 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 54.96 3i12 n ASN 264 Cb 0.66 -2.43 0.00 0.00 -1.54 0.00 0.00 39.78 36.47 3i12 n ASN 264 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i12 n GLY 265 N -1.70 0.00 3.53 7.41 0.00 -0.92 -4.96 105.19 108.54 3i12 n GLY 265 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3i12 n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i12 n ALA 266 N 0.95 -1.93 -1.95 4.61 0.00 -0.17 -4.91 120.51 117.11 3i12 n ALA 266 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 3i12 n ALA 266 Cb 0.43 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 3i12 n ALA 266 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i12 s GLN 267 N -4.15 4.22 -0.07 0.00 0.74 -1.19 -4.90 119.66 114.30 3i12 s GLN 267 Ca 0.62 2.34 0.02 0.00 0.05 0.00 0.00 55.36 58.39 3i12 s GLN 267 Cb -0.22 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 30.61 3i12 s GLN 267 CO 0.63 -0.63 -0.14 0.08 -0.55 0.00 0.00 175.29 174.68 3i12 s VAL 268 N 1.58 1.25 -0.05 1.34 1.01 -1.26 -1.33 120.40 122.94 3i12 s VAL 268 Ca 0.71 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3i12 s VAL 268 Cb -0.42 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 34.85 3i12 s VAL 268 CO 0.31 0.38 -0.07 -0.69 0.00 0.00 0.00 175.10 175.04 3i12 s VAL 269 N 0.62 0.72 -0.08 2.92 1.01 0.23 -4.99 120.40 120.82 3i12 s VAL 269 Ca -0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 3i12 s VAL 269 Cb -0.16 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3i12 s VAL 269 CO 0.04 0.27 -0.06 -0.69 0.00 0.00 0.00 175.10 174.66 3i12 s VAL 270 N 0.89 0.80 0.56 2.92 1.01 -1.26 -0.49 120.40 124.82 3i12 s VAL 270 Ca -0.11 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 3i12 s VAL 270 Cb -0.15 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 3i12 s VAL 270 CO 0.01 0.32 1.01 -2.16 0.00 0.00 0.00 175.10 174.27 3i12 s PRO 271 N 1.50 3.74 0.25 2.72 0.04 -1.26 -5.04 135.00 136.95 3i12 s PRO 271 Ca -0.00 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 61.68 3i12 s PRO 271 Cb -0.13 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 3i12 s PRO 271 CO -0.04 -0.45 1.38 0.00 0.04 0.00 0.00 177.00 177.93 3i12 n ALA 272 N -1.95 1.07 -2.07 8.56 0.00 0.33 -4.78 120.51 121.67 3i12 n ALA 272 Ca 0.07 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 3i12 n ALA 272 Cb 0.54 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3i12 n ALA 272 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i12 n GLN 273 N 1.82 3.07 -4.20 0.00 1.13 -1.26 -4.85 117.38 113.09 3i12 n GLN 273 Ca 0.11 -2.95 -0.12 0.00 -1.94 0.00 0.00 57.00 52.10 3i12 n GLN 273 Cb 0.32 -3.27 -0.10 0.00 0.11 0.00 0.00 30.24 27.30 3i12 n GLN 273 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3i12 s ILE 274 N 2.93 0.65 0.69 5.09 -4.36 -1.26 -5.14 121.20 119.79 3i12 s ILE 274 Ca 0.47 -1.95 -0.12 0.00 -0.26 0.00 0.00 60.65 58.79 3i12 s ILE 274 Cb 0.10 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.94 3i12 s ILE 274 CO -0.03 -0.69 1.08 -2.16 0.24 0.00 0.00 174.94 173.37 3i12 s PRO 275 N -3.88 2.81 0.30 0.37 0.05 -1.26 -4.84 135.00 128.56 3i12 s PRO 275 Ca 0.17 1.14 0.08 0.00 0.05 0.00 0.00 61.00 62.44 3i12 s PRO 275 Cb 0.06 -1.97 0.48 0.00 0.05 0.00 0.00 34.50 33.12 3i12 s PRO 275 CO -0.01 -1.21 1.70 0.66 0.05 0.00 0.00 177.00 178.20 3i12 h SER 276 N -0.46 0.17 0.37 6.66 4.64 -1.98 -0.07 113.55 122.87 3i12 h SER 276 Ca -0.45 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 60.64 3i12 h SER 276 Cb 1.22 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3i12 h SER 276 CO 0.55 0.59 -0.66 1.05 -0.87 0.00 0.00 176.83 177.50 3i12 h GLU 277 N 0.13 0.26 -0.50 4.77 9.09 -1.99 0.18 114.58 126.54 3i12 h GLU 277 Ca 0.01 -0.20 -0.13 0.00 0.05 0.00 0.00 59.36 59.09 3i12 h GLU 277 Cb 0.84 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.96 3i12 h GLU 277 CO 0.06 0.83 -0.18 0.28 0.05 0.00 0.00 179.01 180.05 3i12 h VAL 278 N 0.19 1.27 0.17 -1.06 2.07 -1.76 -1.81 116.25 115.32 3i12 h VAL 278 Ca -0.01 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3i12 h VAL 278 Cb 1.19 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3i12 h VAL 278 CO 0.10 0.47 -0.15 -1.13 0.02 0.00 0.00 177.57 176.88 3i12 h ASN 279 N 0.87 -0.39 -0.54 0.57 -1.24 -0.75 -0.83 115.58 113.26 3i12 h ASN 279 Ca 0.12 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 3i12 h ASN 279 Cb 0.76 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.91 3i12 h ASN 279 CO 0.06 -0.23 0.32 0.44 -1.29 0.00 0.00 177.43 176.73 3i12 h ASP 280 N -0.34 0.67 -0.75 1.15 3.32 -0.57 -0.04 116.42 119.86 3i12 h ASP 280 Ca -0.00 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3i12 h ASP 280 Cb 0.31 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3i12 h ASP 280 CO -0.03 0.52 0.36 0.50 -1.72 0.00 0.00 179.24 178.87 3i12 h LYS 281 N 0.77 1.08 -0.31 3.56 3.64 -0.72 -1.16 116.57 123.42 3i12 h LYS 281 Ca 0.20 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 3i12 h LYS 281 Cb -0.01 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3i12 h LYS 281 CO -0.04 0.85 -0.36 0.82 -2.27 0.00 0.00 179.45 178.45 3i12 h ILE 282 N 1.05 1.29 -0.30 2.00 2.04 -0.34 -2.54 117.51 120.72 3i12 h ILE 282 Ca 0.26 -1.53 0.07 0.00 1.00 0.00 0.00 64.86 64.65 3i12 h ILE 282 Cb 0.13 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 3i12 h ILE 282 CO -0.03 0.50 -0.21 0.03 0.00 0.00 0.00 178.15 178.44 3i12 h ARG 283 N 0.56 -0.18 -0.74 2.37 3.08 -0.82 0.12 114.38 118.77 3i12 h ARG 283 Ca 0.04 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3i12 h ARG 283 Cb 0.94 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 3i12 h ARG 283 CO 0.09 -0.12 0.42 0.00 -1.07 0.00 0.00 179.97 179.29 3i12 h ALA 284 N 0.96 1.34 -0.53 0.04 0.00 -1.18 -1.93 119.26 117.97 3i12 h ALA 284 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3i12 h ALA 284 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3i12 h ALA 284 CO -0.41 0.55 -0.06 0.82 0.00 0.00 0.00 179.25 180.15 3i12 h ILE 285 N 1.03 1.27 -0.63 0.00 2.04 -1.00 -2.40 117.51 117.81 3i12 h ILE 285 Ca 0.26 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3i12 h ILE 285 Cb 0.00 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3i12 h ILE 285 CO -0.05 0.42 0.40 0.00 0.00 0.00 0.00 178.15 178.93 3i12 h ALA 286 N 0.93 0.82 -0.59 1.87 0.00 -0.42 -0.15 119.26 121.71 3i12 h ALA 286 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i12 h ALA 286 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3i12 h ALA 286 CO 0.04 0.17 0.22 0.82 0.00 0.00 0.00 179.25 180.50 3i12 h ILE 287 N 0.80 1.23 -0.70 0.00 2.04 -1.22 -1.08 117.51 118.58 3i12 h ILE 287 Ca 0.25 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3i12 h ILE 287 Cb -0.02 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3i12 h ILE 287 CO -0.08 0.29 0.43 1.56 0.00 0.00 0.00 178.15 180.35 3i12 h GLN 288 N 0.83 0.81 -0.16 2.37 4.20 -0.87 -0.92 115.11 121.37 3i12 h GLN 288 Ca 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3i12 h GLN 288 Cb 0.24 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3i12 h GLN 288 CO -0.01 0.54 0.10 0.00 -0.67 0.00 0.00 178.83 178.79 3i12 h ALA 289 N 1.31 0.21 -0.79 3.87 0.00 -0.82 -0.88 119.26 122.15 3i12 h ALA 289 Ca 0.29 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3i12 h ALA 289 Cb 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3i12 h ALA 289 CO -0.12 -0.30 0.44 -0.92 0.00 0.00 0.00 179.25 178.35 3i12 h TYR 290 N 0.21 0.80 -0.32 0.00 5.03 -0.59 -1.22 116.97 120.88 3i12 h TYR 290 Ca 0.06 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.26 3i12 h TYR 290 Cb -0.01 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.02 3i12 h TYR 290 CO -0.06 0.33 -0.32 1.96 -1.32 0.00 0.00 178.16 178.74 3i12 h GLN 291 N 0.75 0.78 -0.42 1.82 4.20 -0.85 -2.46 115.11 118.94 3i12 h GLN 291 Ca 0.38 -0.42 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3i12 h GLN 291 Cb 0.35 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3i12 h GLN 291 CO -0.24 1.04 -0.15 1.15 -0.67 0.00 0.00 178.83 179.96 3i12 h THR 292 N 0.55 1.26 -0.11 -0.54 2.02 -0.53 -2.16 112.91 113.40 3i12 h THR 292 Ca 0.05 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3i12 h THR 292 Cb 0.90 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3i12 h THR 292 CO 0.08 0.42 0.00 0.18 0.37 0.00 0.00 175.52 176.57 3i12 n LEU 293 N -4.15 0.98 -1.59 2.58 7.99 -0.52 -4.92 117.00 117.37 3i12 n LEU 293 Ca 0.01 -0.42 -0.17 0.00 -0.01 0.00 0.00 56.01 55.42 3i12 n LEU 293 Cb 0.39 -0.07 -0.05 0.00 -0.11 0.00 0.00 43.42 43.58 3i12 n LEU 293 CO 0.44 0.21 -0.19 0.61 -1.51 0.00 0.00 177.39 176.95 3i12 n GLY 294 N 0.96 0.82 3.72 -0.72 0.00 -0.81 -4.42 105.19 104.73 3i12 n GLY 294 Ca 0.14 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3i12 n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i12 s ALA 296 N -1.93 0.53 0.00 0.00 0.00 -1.26 -4.91 121.76 114.18 3i12 s ALA 296 Ca 0.75 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3i12 s ALA 296 Cb -0.30 0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3i12 s ALA 296 CO 0.45 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3i12 n GLY 297 N 1.26 2.29 3.39 0.00 0.00 -0.02 -1.71 105.19 110.40 3i12 n GLY 297 Ca -0.21 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 3i12 n GLY 297 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3i12 s MET 298 N 0.00 1.19 -0.04 1.61 0.00 -1.26 -0.99 119.30 119.81 3i12 s MET 298 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 55.69 54.61 3i12 s MET 298 Cb 0.00 0.49 0.08 0.00 0.00 0.00 0.00 34.83 35.39 3i12 s MET 298 CO 0.00 -0.48 0.72 0.00 0.00 0.00 0.00 175.02 175.26 3i12 s ALA 299 N -3.84 -1.78 -0.21 3.16 0.00 -0.81 -4.61 121.76 113.68 3i12 s ALA 299 Ca 0.06 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 3i12 s ALA 299 Cb 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3i12 s ALA 299 CO -0.08 -0.42 0.06 0.50 0.00 0.00 0.00 175.76 175.82 3i12 s ARG 300 N -1.55 3.83 -0.21 0.00 3.52 0.02 -1.00 118.95 123.56 3i12 s ARG 300 Ca -0.08 -0.41 -0.08 0.00 -0.13 0.00 0.00 55.73 55.04 3i12 s ARG 300 Cb -0.00 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 3i12 s ARG 300 CO 0.05 0.09 0.07 0.08 -0.81 0.00 0.00 175.30 174.79 3i12 s VAL 301 N 0.85 4.64 -0.18 7.11 1.01 -0.39 -1.27 120.40 132.17 3i12 s VAL 301 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 3i12 s VAL 301 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3i12 s VAL 301 CO 0.02 0.40 -0.05 -1.81 0.00 0.00 0.00 175.10 173.66 3i12 s ASP 302 N 0.91 4.48 0.27 3.32 1.01 -0.40 -1.05 116.67 125.19 3i12 s ASP 302 Ca 0.04 -0.27 0.07 0.00 0.71 0.00 0.00 52.55 53.10 3i12 s ASP 302 Cb -0.14 -1.74 -0.06 0.00 1.01 0.00 0.00 42.92 42.00 3i12 s ASP 302 CO 0.03 0.09 -0.08 0.68 0.21 0.00 0.00 175.17 176.09 3i12 s VAL 303 N 0.84 1.71 -0.14 -1.27 -7.23 0.44 -0.75 120.40 113.99 3i12 s VAL 303 Ca -0.01 -2.15 -0.10 0.00 -1.81 0.00 0.00 61.98 57.91 3i12 s VAL 303 Cb -0.15 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3i12 s VAL 303 CO 0.01 -0.35 0.19 -0.36 -0.31 0.00 0.00 175.10 174.27 3i12 s PHE 304 N -2.98 3.53 -0.34 2.82 0.08 0.88 -1.23 117.98 120.73 3i12 s PHE 304 Ca 0.28 0.52 -0.05 0.00 0.12 0.00 0.00 56.93 57.80 3i12 s PHE 304 Cb 0.03 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3i12 s PHE 304 CO 0.11 0.50 0.11 -1.17 -0.10 0.00 0.00 175.22 174.67 3i12 s LEU 305 N -0.34 4.39 0.84 -0.37 2.96 0.46 -0.63 118.68 125.99 3i12 s LEU 305 Ca 0.14 -1.29 -0.13 0.00 -0.22 0.00 0.00 54.13 52.63 3i12 s LEU 305 Cb -0.12 -1.84 0.10 0.00 0.50 0.00 0.00 46.19 44.83 3i12 s LEU 305 CO 0.03 -0.35 1.21 0.42 -1.32 0.00 0.00 176.35 176.33 3i12 s THR 306 N 1.35 2.00 0.36 3.68 -4.23 0.12 -1.26 115.64 117.66 3i12 s THR 306 Ca -0.01 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.62 3i12 s THR 306 Cb -0.20 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 70.98 3i12 s THR 306 CO 0.01 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.90 3i12 h ALA 307 N -1.17 1.97 -0.38 3.99 0.00 -1.90 0.25 119.26 122.02 3i12 h ALA 307 Ca -0.46 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3i12 h ALA 307 Cb 1.31 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3i12 h ALA 307 CO 0.61 -0.31 0.08 -0.25 0.00 0.00 0.00 179.25 179.38 3i12 n ASP 308 N -4.64 3.65 -1.97 0.00 8.00 -1.26 -4.89 116.55 115.44 3i12 n ASP 308 Ca 0.22 -2.61 -0.20 0.00 0.71 0.00 0.00 54.79 52.91 3i12 n ASP 308 Cb 0.66 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 3i12 n ASP 308 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i12 n ASN 309 N 0.19 -5.38 -4.78 -2.24 3.02 0.88 -4.97 115.26 101.98 3i12 n ASN 309 Ca 0.20 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.63 3i12 n ASN 309 Cb 0.87 -4.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.37 3i12 n ASN 309 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i12 s GLU 310 N -4.32 4.35 -0.18 3.52 2.02 -1.26 -4.81 118.70 118.02 3i12 s GLU 310 Ca 0.00 1.55 -0.01 0.00 0.02 0.00 0.00 54.97 56.53 3i12 s GLU 310 Cb 0.00 -2.75 -0.00 0.00 0.10 0.00 0.00 34.13 31.48 3i12 s GLU 310 CO 0.00 0.02 -0.11 0.08 0.02 0.00 0.00 175.26 175.27 3i12 s VAL 311 N -1.52 2.93 -0.15 2.63 1.01 -1.26 -0.70 120.40 123.34 3i12 s VAL 311 Ca 0.53 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3i12 s VAL 311 Cb -0.24 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3i12 s VAL 311 CO 0.30 0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 175.00 3i12 s VAL 312 N 1.10 1.91 0.02 2.92 1.01 0.20 -4.59 120.40 122.97 3i12 s VAL 312 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3i12 s VAL 312 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3i12 s VAL 312 CO -0.03 0.52 1.08 -0.63 0.00 0.00 0.00 175.10 176.04 3i12 s ILE 313 N 1.11 4.50 -0.12 2.22 1.01 0.32 -0.09 121.20 130.15 3i12 s ILE 313 Ca -0.01 1.79 -0.13 0.00 0.00 0.00 0.00 60.65 62.30 3i12 s ILE 313 Cb -0.14 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 3i12 s ILE 313 CO -0.07 0.13 -0.26 -3.20 0.00 0.00 0.00 174.94 171.53 3i12 n ASN 314 N 4.03 1.70 -4.11 3.58 5.15 0.07 -4.42 115.26 121.26 3i12 n ASN 314 Ca 0.08 0.28 -0.11 0.00 -0.60 0.00 0.00 54.58 54.23 3i12 n ASN 314 Cb 0.49 -0.63 -0.11 0.00 -0.53 0.00 0.00 39.78 39.00 3i12 n ASN 314 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3i12 s GLU 315 N -2.64 0.66 -0.14 1.20 -1.05 -0.96 -5.00 118.70 110.77 3i12 s GLU 315 Ca -0.22 -1.07 0.01 0.00 -0.15 0.00 0.00 54.97 53.54 3i12 s GLU 315 Cb 0.04 -0.16 0.02 0.00 -0.44 0.00 0.00 34.13 33.59 3i12 s GLU 315 CO 0.32 -0.01 -0.17 0.42 0.95 0.00 0.00 175.26 176.77 3i12 s ILE 316 N -2.74 1.72 -0.21 1.83 1.01 -1.26 -1.28 121.20 120.27 3i12 s ILE 316 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 3i12 s ILE 316 Cb -0.01 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3i12 s ILE 316 CO -0.03 0.48 -0.06 0.20 0.00 0.00 0.00 174.94 175.53 3i12 s ASN 317 N 1.14 4.19 0.31 3.58 0.01 -0.40 -4.72 114.94 119.05 3i12 s ASN 317 Ca -0.02 -0.41 0.22 0.00 -0.71 0.00 0.00 52.86 51.94 3i12 s ASN 317 Cb -0.14 -1.71 0.16 0.00 0.41 0.00 0.00 41.25 39.96 3i12 s ASN 317 CO -0.06 -0.01 1.32 0.71 -1.51 0.00 0.00 177.10 177.55 3i12 h THR 318 N 5.72 0.06 -2.42 1.60 1.35 -1.86 0.10 112.91 117.46 3i12 h THR 318 Ca -0.42 -1.10 -0.59 0.00 -0.55 0.00 0.00 66.41 63.75 3i12 h THR 318 Cb 1.16 1.80 -0.40 0.00 -1.73 0.00 0.00 68.15 68.98 3i12 h THR 318 CO 0.61 0.04 -0.82 0.18 -0.25 0.00 0.00 175.52 175.27 3i12 n LEU 319 N -2.91 1.53 -4.72 3.87 4.77 -1.26 -4.65 117.00 113.63 3i12 n LEU 319 Ca 0.02 -4.91 -0.30 0.00 -0.03 0.00 0.00 56.01 50.79 3i12 n LEU 319 Cb 0.56 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.75 3i12 n LEU 319 CO 0.37 1.93 0.67 -2.16 -1.33 0.00 0.00 177.39 176.87 3i12 s PRO 320 N -1.20 1.38 0.33 3.23 0.04 -1.26 -4.72 135.00 132.79 3i12 s PRO 320 Ca 0.33 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 62.00 3i12 s PRO 320 Cb 0.07 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.67 3i12 s PRO 320 CO -0.13 -2.18 1.26 0.41 0.04 0.00 0.00 177.00 176.40 3i12 n GLY 321 N -1.04 0.50 1.46 0.56 0.00 -1.26 -4.91 105.19 100.50 3i12 n GLY 321 Ca 0.07 0.33 0.02 0.00 0.00 0.00 0.00 46.02 46.45 3i12 n GLY 321 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i12 n PHE 322 N 0.45 0.36 -1.42 1.61 -0.00 -1.26 -4.26 117.46 112.94 3i12 n PHE 322 Ca 0.06 -1.11 -0.30 0.00 -0.00 0.00 0.00 57.45 56.10 3i12 n PHE 322 Cb 0.35 -0.20 0.12 0.00 -0.00 0.00 0.00 39.48 39.75 3i12 n PHE 322 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3i12 s THR 323 N -1.71 2.72 0.23 -2.13 -4.23 -1.26 -4.53 115.64 104.72 3i12 s THR 323 Ca 0.35 0.23 0.27 0.00 -1.18 0.00 0.00 61.69 61.37 3i12 s THR 323 Cb 0.38 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.60 3i12 s THR 323 CO -0.11 -0.31 1.80 -0.55 -0.54 0.00 0.00 174.62 174.91 3i12 h ASN 324 N -1.34 0.00 0.00 3.99 -1.07 -1.92 -1.73 115.58 113.51 3i12 h ASN 324 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.87 3i12 h ASN 324 Cb 1.29 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.51 3i12 h ASN 324 CO 0.58 0.00 -0.27 2.30 0.07 0.00 0.00 177.43 180.11 3i12 n ILE 325 N -2.53 1.38 -2.53 6.14 -5.35 -1.26 -4.88 119.36 110.32 3i12 n ILE 325 Ca -0.02 -1.82 -0.30 0.00 -0.27 0.00 0.00 62.75 60.35 3i12 n ILE 325 Cb 0.18 0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.08 3i12 n ILE 325 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3i12 s SER 326 N -2.44 6.41 0.12 7.28 0.01 -0.65 -4.92 113.70 119.50 3i12 s SER 326 Ca 0.26 1.20 -0.29 0.00 1.31 0.00 0.00 55.95 58.43 3i12 s SER 326 Cb 0.24 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 64.03 3i12 s SER 326 CO -0.01 -0.57 1.61 -0.03 0.41 0.00 0.00 173.24 174.65 3i12 h MET 327 N 0.60 -0.54 0.15 12.44 4.05 -1.89 -2.50 114.93 127.25 3i12 h MET 327 Ca -0.46 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.01 3i12 h MET 327 Cb 1.19 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 32.08 3i12 h MET 327 CO 0.62 -0.36 -0.37 -0.92 0.23 0.00 0.00 176.91 176.12 3i12 h TYR 328 N -0.56 -1.01 -0.21 1.39 3.20 -1.94 0.14 116.97 117.97 3i12 h TYR 328 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3i12 h TYR 328 Cb 0.61 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 3i12 h TYR 328 CO -0.32 -0.48 -0.15 -1.00 -1.64 0.00 0.00 178.16 174.56 3i12 h PRO 329 N -0.62 0.35 -0.62 1.82 0.14 -1.81 -2.83 132.00 128.44 3i12 h PRO 329 Ca 0.02 -0.10 -0.07 0.00 0.14 0.00 0.00 66.00 65.99 3i12 h PRO 329 Cb 0.64 -0.04 -0.03 0.00 0.14 0.00 0.00 31.00 31.71 3i12 h PRO 329 CO -0.19 0.50 0.09 0.87 0.14 0.00 0.00 178.00 179.41 3i12 h LYS 330 N 0.33 1.01 -0.96 0.86 1.79 -0.93 -0.03 116.57 118.63 3i12 h LYS 330 Ca 0.06 -0.26 0.05 0.00 -2.18 0.00 0.00 60.65 58.32 3i12 h LYS 330 Cb 0.47 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 3i12 h LYS 330 CO 0.03 0.94 0.62 -0.07 -1.08 0.00 0.00 179.45 179.89 3i12 h LEU 331 N 0.95 1.02 -0.18 2.94 3.38 -0.52 -0.01 115.31 122.90 3i12 h LEU 331 Ca 0.19 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.97 3i12 h LEU 331 Cb 0.42 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3i12 h LEU 331 CO 0.01 0.68 -0.64 -0.50 0.09 0.00 0.00 178.44 178.09 3i12 h TRP 332 N 1.18 0.99 -0.71 1.13 4.06 -1.24 -2.53 115.95 118.83 3i12 h TRP 332 Ca 0.40 -0.41 0.05 0.00 2.06 0.00 0.00 58.89 60.99 3i12 h TRP 332 Cb 0.07 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.02 3i12 h TRP 332 CO -0.01 1.23 0.47 0.37 -3.56 0.00 0.00 178.44 176.94 3i12 h GLN 333 N 0.47 0.78 0.00 0.49 4.15 -0.16 0.25 115.11 121.09 3i12 h GLN 333 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3i12 h GLN 333 Cb 1.26 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3i12 h GLN 333 CO 0.13 0.51 0.00 0.00 -1.93 0.00 0.00 178.83 177.55 3i12 n ALA 334 N -2.44 2.14 -0.40 3.38 0.00 -0.07 -3.00 120.51 120.12 3i12 n ALA 334 Ca 0.10 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3i12 n ALA 334 Cb 0.18 -1.38 0.15 0.00 0.00 0.00 0.00 19.45 18.39 3i12 n ALA 334 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i12 n SER 335 N -1.41 2.94 0.00 0.00 7.64 0.73 -4.91 113.62 118.61 3i12 n SER 335 Ca 0.08 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.64 3i12 n SER 335 Cb 0.24 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3i12 n SER 335 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i12 n GLY 336 N -0.06 0.84 2.93 0.23 0.00 -0.82 -4.98 105.19 103.34 3i12 n GLY 336 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3i12 n GLY 336 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i12 s LEU 337 N 0.00 2.13 0.76 0.99 2.96 -0.24 -5.00 118.68 120.28 3i12 s LEU 337 Ca 0.00 -0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 52.87 3i12 s LEU 337 Cb 0.00 -1.08 0.05 0.00 0.50 0.00 0.00 46.19 45.65 3i12 s LEU 337 CO 0.00 -0.20 1.14 -0.83 -1.32 0.00 0.00 176.35 175.14 3i12 s GLY 338 N 1.49 1.61 0.10 7.98 0.00 -1.26 -1.75 107.32 115.49 3i12 s GLY 338 Ca -0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 44.72 43.96 3i12 s GLY 338 CO -0.07 -0.07 1.71 -0.97 0.00 0.00 0.00 173.10 173.70 3i12 h TYR 339 N -0.86 -0.19 -0.29 1.90 -1.99 -1.96 0.51 116.97 114.09 3i12 h TYR 339 Ca -0.45 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.32 3i12 h TYR 339 Cb 1.29 0.08 -0.04 0.00 2.00 0.00 0.00 36.73 40.06 3i12 h TYR 339 CO 0.40 -0.12 0.04 1.15 -0.00 0.00 0.00 178.16 179.64 3i12 h THR 340 N -0.15 0.84 -0.04 -2.88 2.02 -1.94 -1.56 112.91 109.19 3i12 h THR 340 Ca 0.01 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3i12 h THR 340 Cb 0.16 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3i12 h THR 340 CO -0.04 0.03 -0.31 0.44 0.37 0.00 0.00 175.52 176.00 3i12 h ASP 341 N 0.14 0.08 0.21 4.18 3.32 -1.80 -1.89 116.42 120.66 3i12 h ASP 341 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3i12 h ASP 341 Cb 0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3i12 h ASP 341 CO -0.19 0.39 -0.10 0.25 -1.72 0.00 0.00 179.24 177.87 3i12 h LEU 342 N 0.07 -0.24 -0.54 1.55 5.85 -0.44 -0.06 115.31 121.49 3i12 h LEU 342 Ca 0.01 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3i12 h LEU 342 Cb 0.59 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 3i12 h LEU 342 CO 0.04 -0.15 0.14 0.40 -0.34 0.00 0.00 178.44 178.53 3i12 h ILE 343 N -0.30 0.73 -0.27 4.05 2.04 -0.99 -0.49 117.51 122.28 3i12 h ILE 343 Ca -0.03 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3i12 h ILE 343 Cb 0.23 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3i12 h ILE 343 CO 0.05 0.05 0.08 0.28 0.00 0.00 0.00 178.15 178.61 3i12 h SER 344 N 0.29 0.39 -0.86 1.72 0.02 -1.16 -1.70 113.55 112.25 3i12 h SER 344 Ca 0.27 -0.21 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 3i12 h SER 344 Cb 0.36 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 3i12 h SER 344 CO -0.33 0.50 0.56 -0.09 -1.14 0.00 0.00 176.83 176.32 3i12 h ARG 345 N 0.27 0.84 -0.27 3.45 9.65 -0.42 -0.63 114.38 127.27 3i12 h ARG 345 Ca 0.09 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.81 3i12 h ARG 345 Cb 0.25 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3i12 h ARG 345 CO -0.00 0.55 -0.29 -0.07 2.80 0.00 0.00 179.97 182.96 3i12 h LEU 346 N 0.86 0.56 -0.11 3.80 3.38 -0.32 -0.42 115.31 123.07 3i12 h LEU 346 Ca 0.39 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3i12 h LEU 346 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i12 h LEU 346 CO -0.16 0.82 -0.18 0.40 0.09 0.00 0.00 178.44 179.42 3i12 h ILE 347 N 0.47 1.38 -0.36 1.22 2.04 -0.58 -1.93 117.51 119.75 3i12 h ILE 347 Ca 0.06 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.52 3i12 h ILE 347 Cb 0.74 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 3i12 h ILE 347 CO 0.06 0.41 0.15 -0.33 0.00 0.00 0.00 178.15 178.44 3i12 h GLU 348 N -0.12 0.30 -0.92 2.37 5.08 -0.95 -1.17 114.58 119.18 3i12 h GLU 348 Ca 0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3i12 h GLU 348 Cb 0.75 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3i12 h GLU 348 CO 0.04 0.20 0.61 -0.07 -1.00 0.00 0.00 179.01 178.79 3i12 h LEU 349 N 0.31 1.01 -0.20 1.33 3.38 -1.03 -1.27 115.31 118.84 3i12 h LEU 349 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3i12 h LEU 349 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i12 h LEU 349 CO -0.15 0.70 0.07 0.00 0.09 0.00 0.00 178.44 179.16 3i12 h ALA 350 N 1.45 0.26 -0.64 1.53 0.00 -0.48 -1.62 119.26 119.77 3i12 h ALA 350 Ca 0.36 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3i12 h ALA 350 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i12 h ALA 350 CO -0.10 -0.14 0.15 -0.07 0.00 0.00 0.00 179.25 179.09 3i12 h LEU 351 N 0.16 0.97 -0.47 0.00 3.38 -0.95 -1.69 115.31 116.71 3i12 h LEU 351 Ca 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3i12 h LEU 351 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3i12 h LEU 351 CO -0.00 0.96 0.27 -0.33 0.09 0.00 0.00 178.44 179.42 3i12 h GLU 352 N 0.94 0.66 -0.26 1.13 5.08 -1.12 -1.86 114.58 119.15 3i12 h GLU 352 Ca 0.20 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 3i12 h GLU 352 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3i12 h GLU 352 CO 0.00 0.51 -0.36 -0.09 -1.00 0.00 0.00 179.01 178.08 3i12 h ARG 353 N 0.63 0.58 -0.68 2.33 2.43 -1.21 -0.56 114.38 117.89 3i12 h ARG 353 Ca 0.17 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3i12 h ARG 353 Cb 0.04 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3i12 h ARG 353 CO -0.03 0.85 0.44 1.25 -1.51 0.00 0.00 179.97 180.97 3i12 h HIS 354 N 0.49 0.82 -0.41 2.20 2.76 -1.14 -0.07 115.15 119.80 3i12 h HIS 354 Ca 0.05 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3i12 h HIS 354 Cb 0.84 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3i12 h HIS 354 CO 0.03 0.49 0.21 1.15 -1.30 0.00 0.00 177.93 178.52 3i12 h THR 355 N 0.87 1.16 -0.50 6.26 2.02 -0.74 0.17 112.91 122.16 3i12 h THR 355 Ca 0.26 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 67.09 3i12 h THR 355 Cb -0.04 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 3i12 h THR 355 CO -0.08 0.17 0.08 0.00 0.37 0.00 0.00 175.52 176.06 3i12 h ALA 356 N 1.06 0.54 -0.27 6.16 0.00 -0.91 -1.67 119.26 124.19 3i12 h ALA 356 Ca 0.14 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3i12 h ALA 356 Cb 0.08 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i12 h ALA 356 CO -0.02 -0.33 -0.24 -0.91 0.00 0.00 0.00 179.25 177.75 3i12 h ASN 357 N 0.21 0.67 0.06 0.00 2.35 -0.53 -3.11 115.58 115.23 3i12 h ASN 357 Ca 0.25 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3i12 h ASN 357 Cb 0.35 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3i12 h ASN 357 CO -0.35 0.99 -0.05 0.78 -1.65 0.00 0.00 177.43 177.15 3i12 h ASN 358 N 0.36 0.00 1.35 5.81 2.35 -0.74 -2.39 115.58 122.32 3i12 h ASN 358 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3i12 h ASN 358 Cb 0.79 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 3i12 h ASN 358 CO 0.06 0.05 -0.01 0.00 -1.65 0.00 0.00 177.43 175.89 3i12 h ALA 359 N 1.95 1.00 -2.93 -0.83 0.00 -1.23 -3.46 119.26 113.75 3i12 h ALA 359 Ca -0.00 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3i12 h ALA 359 Cb 0.10 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.99 3i12 h ALA 359 CO 0.01 0.01 0.66 -0.51 0.00 0.00 0.00 179.25 179.41 3i12 s LEU 360 N -6.21 4.14 0.55 0.00 1.43 -0.90 -4.98 118.68 112.72 3i12 s LEU 360 Ca 0.03 2.79 -0.19 0.00 -1.03 0.00 0.00 54.13 55.73 3i12 s LEU 360 Cb 0.08 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 3i12 s LEU 360 CO 0.59 -1.06 1.12 -0.54 0.23 0.00 0.00 176.35 176.69 3i12 s LYS 361 N -2.39 3.32 -0.21 1.70 1.02 -1.26 -5.00 119.74 116.93 3i12 s LYS 361 Ca 0.60 1.56 0.13 0.00 0.02 0.00 0.00 55.97 58.28 3i12 s LYS 361 Cb -0.41 -2.01 -0.22 0.00 -0.52 0.00 0.00 37.83 34.68 3i12 s LYS 361 CO 0.52 -0.86 -0.01 2.41 -0.92 0.00 0.00 175.35 176.49 3i12 n THR 362 N -1.41 1.36 -0.71 2.17 -1.04 -1.26 -5.19 114.28 108.19 3i12 n THR 362 Ca 0.11 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 3i12 n THR 362 Cb 0.51 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3i12 n THR 362 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84