#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i12 s LEU 4 N 0.00 4.45 -0.17 -0.35 1.43 -0.87 -4.76 118.68 118.42 3i12 s LEU 4 Ca 0.00 2.19 -0.24 0.00 -1.03 0.00 0.00 54.13 55.06 3i12 s LEU 4 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 3i12 s LEU 4 CO 0.00 -0.35 0.76 -0.13 0.23 0.00 0.00 176.35 176.86 3i12 s ARG 5 N -0.19 4.28 -0.24 1.70 0.52 -1.26 -1.91 118.95 121.85 3i12 s ARG 5 Ca 0.52 0.89 -0.04 0.00 -0.52 0.00 0.00 55.73 56.59 3i12 s ARG 5 Cb -0.32 -3.56 0.01 0.00 0.52 0.00 0.00 34.95 31.60 3i12 s ARG 5 CO 0.36 -0.27 -0.03 0.08 0.02 0.00 0.00 175.30 175.46 3i12 s VAL 6 N 1.96 3.28 -0.38 3.52 1.01 0.13 -0.93 120.40 129.00 3i12 s VAL 6 Ca 0.35 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3i12 s VAL 6 Cb -0.16 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3i12 s VAL 6 CO 0.12 0.28 0.47 -0.83 0.00 0.00 0.00 175.10 175.14 3i12 s GLY 7 N 1.43 1.85 -0.25 4.51 0.00 0.24 -0.94 107.32 114.15 3i12 s GLY 7 Ca 0.03 -1.23 -0.21 0.00 0.00 0.00 0.00 44.72 43.31 3i12 s GLY 7 CO -0.03 1.20 0.67 -0.42 0.00 0.00 0.00 173.10 174.52 3i12 s ILE 8 N 2.27 4.95 -0.28 0.90 1.01 0.08 -0.78 121.20 129.35 3i12 s ILE 8 Ca 0.15 1.22 -0.08 0.00 0.00 0.00 0.00 60.65 61.94 3i12 s ILE 8 Cb -0.16 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 3i12 s ILE 8 CO 0.14 -0.00 0.10 -0.69 0.00 0.00 0.00 174.94 174.48 3i12 s VAL 9 N 2.59 4.35 0.15 2.92 1.01 -0.80 -0.24 120.40 130.38 3i12 s VAL 9 Ca 0.28 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3i12 s VAL 9 Cb -0.15 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3i12 s VAL 9 CO 0.08 0.20 0.24 0.72 0.00 0.00 0.00 175.10 176.34 3i12 s PHE 10 N 1.59 0.43 0.00 5.22 -0.12 -1.04 -0.15 117.98 123.92 3i12 s PHE 10 Ca 0.05 -0.81 0.00 0.00 -0.05 0.00 0.00 56.93 56.12 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 0.04 -0.66 0.00 0.41 -0.05 0.00 0.00 175.22 174.96 3i12 n GLY 11 N -0.17 1.14 0.00 1.99 0.00 -1.26 -0.27 105.19 106.61 3i12 n GLY 11 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 1.13 0.17 -0.02 0.00 0.92 -4.53 105.19 102.87 3i12 n GLY 12 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 3i12 n GLY 12 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i12 h LYS 13 N 0.00 0.36 -4.77 1.61 3.64 -1.75 -3.37 116.57 112.31 3i12 h LYS 13 Ca 0.00 -0.29 -0.49 0.00 -1.27 0.00 0.00 60.65 58.59 3i12 h LYS 13 Cb 0.00 0.06 0.13 0.00 -0.41 0.00 0.00 32.23 32.01 3i12 h LYS 13 CO 0.00 0.93 -0.76 0.45 -2.27 0.00 0.00 179.45 177.80 3i12 n SER 14 N -3.83 -2.32 0.31 4.20 2.88 -1.26 -4.86 113.62 108.74 3i12 n SER 14 Ca -0.04 0.64 0.20 0.00 -1.33 0.00 0.00 58.87 58.34 3i12 n SER 14 Cb 0.70 -0.70 1.04 0.00 -0.75 0.00 0.00 64.21 64.50 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 0.24 1.26 -0.06 -1.46 0.00 -1.90 -2.15 119.26 115.19 3i12 h ALA 15 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i12 h ALA 15 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i12 h ALA 15 CO 0.37 -0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.90 3i12 n GLU 16 N -3.25 1.21 -0.12 0.00 4.71 -1.26 -4.48 120.64 117.44 3i12 n GLU 16 Ca -0.02 -0.25 -0.05 0.00 -0.01 0.00 0.00 57.16 56.83 3i12 n GLU 16 Cb 0.17 -1.21 0.02 0.00 -1.01 0.00 0.00 31.44 29.41 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 0.37 -0.33 -0.44 -0.32 2.76 -1.62 -0.07 115.15 115.50 3i12 h HIS 17 Ca 0.00 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 3i12 h HIS 17 Cb 0.25 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3i12 h HIS 17 CO 0.06 -0.22 -0.06 0.93 -1.30 0.00 0.00 177.93 177.34 3i12 h GLU 18 N -0.05 0.76 -0.24 5.26 3.07 -1.87 -1.07 114.58 120.44 3i12 h GLU 18 Ca 0.20 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 3i12 h GLU 18 Cb 0.36 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3i12 h GLU 18 CO -0.46 0.81 -0.18 0.28 -1.40 0.00 0.00 179.01 178.07 3i12 h VAL 19 N 0.70 1.23 -0.49 3.13 2.07 -1.62 -2.61 116.25 118.66 3i12 h VAL 19 Ca 0.13 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3i12 h VAL 19 Cb 0.52 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3i12 h VAL 19 CO 0.03 0.34 0.04 -1.28 0.02 0.00 0.00 177.57 176.72 3i12 h SER 20 N 0.38 0.75 -0.46 0.57 0.87 0.16 0.94 113.55 116.77 3i12 h SER 20 Ca 0.07 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 3i12 h SER 20 Cb 0.53 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3i12 h SER 20 CO 0.03 0.79 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.03 3i12 h LEU 21 N 0.75 0.87 -0.22 2.23 3.38 -0.94 -0.74 115.31 120.63 3i12 h LEU 21 Ca 0.15 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 3i12 h LEU 21 Cb 0.39 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3i12 h LEU 21 CO 0.01 0.94 -0.77 1.56 0.09 0.00 0.00 178.44 180.28 3i12 h GLN 22 N 0.82 0.71 -0.22 1.13 4.20 -1.09 -0.21 115.11 120.44 3i12 h GLN 22 Ca 0.15 -0.58 0.06 0.00 0.06 0.00 0.00 58.65 58.34 3i12 h GLN 22 Cb 0.53 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 3i12 h GLN 22 CO 0.03 1.19 -0.15 0.77 -0.67 0.00 0.00 178.83 179.99 3i12 h SER 23 N 0.48 -0.50 -0.51 1.46 0.02 -0.58 -2.18 113.55 111.75 3i12 h SER 23 Ca -0.05 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3i12 h SER 23 Cb 1.38 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 64.16 3i12 h SER 23 CO 0.15 -0.19 0.11 0.00 -1.14 0.00 0.00 176.83 175.76 3i12 h ALA 24 N 1.00 0.68 -0.53 3.77 0.00 -1.07 -0.73 119.26 122.38 3i12 h ALA 24 Ca 0.13 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3i12 h ALA 24 Cb 0.34 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 3i12 h ALA 24 CO -0.31 0.38 -0.15 -0.22 0.00 0.00 0.00 179.25 178.95 3i12 h LYS 25 N 0.71 -0.02 -0.02 0.00 3.64 -0.86 0.08 116.57 120.11 3i12 h LYS 25 Ca 0.16 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 3i12 h LYS 25 Cb 0.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3i12 h LYS 25 CO 0.00 -0.01 -0.69 -0.91 -2.27 0.00 0.00 179.45 175.57 3i12 h ASN 26 N -0.02 0.14 -0.18 4.20 2.35 -1.00 -1.77 115.58 119.29 3i12 h ASN 26 Ca 0.25 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3i12 h ASN 26 Cb 0.41 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3i12 h ASN 26 CO -0.55 0.78 0.03 0.40 -1.65 0.00 0.00 177.43 176.44 3i12 h ILE 27 N 0.08 1.22 -0.67 2.81 2.04 -0.60 -1.30 117.51 121.08 3i12 h ILE 27 Ca -0.01 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.18 3i12 h ILE 27 Cb 1.22 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 3i12 h ILE 27 CO 0.10 0.22 0.39 0.58 0.00 0.00 0.00 178.15 179.44 3i12 h VAL 28 N 0.10 1.01 0.00 1.67 2.07 -0.81 0.25 116.25 120.53 3i12 h VAL 28 Ca 0.06 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3i12 h VAL 28 Cb 0.30 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3i12 h VAL 28 CO 0.00 0.13 -0.53 0.44 0.02 0.00 0.00 177.57 177.64 3i12 h ASP 29 N 0.73 0.00 0.52 0.57 3.32 -1.28 -3.29 116.42 116.98 3i12 h ASP 29 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3i12 h ASP 29 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3i12 h ASP 29 CO -0.16 0.53 -1.48 0.00 -1.72 0.00 0.00 179.24 176.41 3i12 n ALA 30 N -2.31 2.67 -1.68 3.45 0.00 -0.50 -4.97 120.51 117.17 3i12 n ALA 30 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 3i12 n ALA 30 Cb 0.63 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 19.15 3i12 n ALA 30 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i12 n ILE 31 N -2.47 2.40 -2.08 0.00 3.06 0.81 -4.41 119.36 116.66 3i12 n ILE 31 Ca -0.02 -0.50 -0.40 0.00 -2.50 0.00 0.00 62.75 59.33 3i12 n ILE 31 Cb 0.56 -1.49 -0.03 0.00 0.54 0.00 0.00 39.64 39.22 3i12 n ILE 31 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3i12 s ASP 32 N -0.51 5.58 0.35 9.51 -1.08 -1.26 -4.85 116.67 124.40 3i12 s ASP 32 Ca 0.60 0.63 0.27 0.00 -0.52 0.00 0.00 52.55 53.53 3i12 s ASP 32 Cb -0.53 -2.53 1.03 0.00 -1.46 0.00 0.00 42.92 39.43 3i12 s ASP 32 CO 0.59 -2.08 1.80 0.11 0.52 0.00 0.00 175.17 176.10 3i12 h LYS 33 N 13.80 0.00 0.00 4.34 6.56 -1.89 -0.60 116.57 138.78 3i12 h LYS 33 Ca -0.28 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.24 3i12 h LYS 33 Cb 1.15 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.80 3i12 h LYS 33 CO 1.15 0.00 -0.34 1.79 -2.06 0.00 0.00 179.45 180.00 3i12 h THR 34 N 0.00 0.65 0.01 -0.16 1.35 -2.02 -3.32 112.91 109.42 3i12 h THR 34 Ca 0.00 -1.64 -0.36 0.00 -0.55 0.00 0.00 66.41 63.85 3i12 h THR 34 Cb 0.50 2.11 -0.06 0.00 -1.73 0.00 0.00 68.15 68.97 3i12 h THR 34 CO 0.00 0.33 -2.27 0.54 -0.25 0.00 0.00 175.52 173.87 3i12 n ARG 35 N -3.28 0.68 -4.92 4.72 1.74 -0.73 -4.91 116.66 109.96 3i12 n ARG 35 Ca 0.01 0.12 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3i12 n ARG 35 Cb 0.59 -1.58 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.52 1.85 -0.14 -1.55 0.08 -0.31 -2.04 117.98 113.35 3i12 s PHE 36 Ca -0.18 -0.53 -0.06 0.00 0.12 0.00 0.00 56.93 56.27 3i12 s PHE 36 Cb 0.07 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 3i12 s PHE 36 CO 0.75 -0.17 0.09 -0.51 -0.10 0.00 0.00 175.22 175.28 3i12 s ASP 37 N -0.01 5.93 -0.17 1.36 1.01 -0.80 -4.32 116.67 119.67 3i12 s ASP 37 Ca -0.04 0.27 -0.10 0.00 0.71 0.00 0.00 52.55 53.40 3i12 s ASP 37 Cb -0.12 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 41.85 3i12 s ASP 37 CO 0.02 0.32 0.17 0.68 0.21 0.00 0.00 175.17 176.58 3i12 s VAL 38 N -0.49 5.40 -0.09 -1.27 -7.23 -1.26 -0.69 120.40 114.77 3i12 s VAL 38 Ca 0.11 0.29 0.01 0.00 -1.81 0.00 0.00 61.98 60.57 3i12 s VAL 38 Cb -0.12 -3.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 3i12 s VAL 38 CO 0.02 0.48 -0.10 0.68 -0.31 0.00 0.00 175.10 175.87 3i12 s VAL 39 N 0.01 3.40 -0.38 1.32 -7.23 -0.12 -4.91 120.40 112.50 3i12 s VAL 39 Ca 0.12 -0.57 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 3i12 s VAL 39 Cb -0.12 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.42 3i12 s VAL 39 CO 0.01 0.56 0.40 -0.76 -0.31 0.00 0.00 175.10 175.00 3i12 s LEU 40 N -0.32 4.66 -0.91 1.32 1.43 -1.26 -0.74 118.68 122.86 3i12 s LEU 40 Ca 0.04 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3i12 s LEU 40 Cb -0.13 -2.36 0.25 0.00 0.03 0.00 0.00 46.19 43.98 3i12 s LEU 40 CO 0.02 -0.46 0.93 0.18 0.23 0.00 0.00 176.35 177.26 3i12 n LEU 41 N 5.48 4.64 -4.74 1.79 4.32 0.67 -1.03 117.00 128.12 3i12 n LEU 41 Ca -0.08 -5.18 -0.40 0.00 -0.02 0.00 0.00 56.01 50.32 3i12 n LEU 41 Cb 0.48 -1.10 -0.05 0.00 -1.62 0.00 0.00 43.42 41.13 3i12 n LEU 41 CO 0.43 1.64 0.56 -0.83 -1.22 0.00 0.00 177.39 177.97 3i12 s GLY 42 N -0.64 2.92 -0.21 -0.72 0.00 -0.89 -2.50 107.32 105.28 3i12 s GLY 42 Ca 0.30 0.43 -0.03 0.00 0.00 0.00 0.00 44.72 45.43 3i12 s GLY 42 CO -0.07 1.23 -0.06 -0.42 0.00 0.00 0.00 173.10 173.78 3i12 s ILE 43 N -0.23 3.30 1.12 0.90 1.01 0.63 -1.20 121.20 126.74 3i12 s ILE 43 Ca 0.42 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 3i12 s ILE 43 Cb -0.22 -2.49 0.25 0.00 0.01 0.00 0.00 42.46 40.02 3i12 s ILE 43 CO 0.27 0.44 1.16 1.51 0.00 0.00 0.00 174.94 178.32 3i12 s ASP 44 N 1.31 1.63 0.39 3.58 3.84 -0.54 -0.05 116.67 126.82 3i12 s ASP 44 Ca 0.04 0.60 0.28 0.00 -0.00 0.00 0.00 52.55 53.46 3i12 s ASP 44 Cb -0.14 -0.84 1.24 0.00 -1.38 0.00 0.00 42.92 41.80 3i12 s ASP 44 CO -0.03 -3.68 1.84 0.11 -0.00 0.00 0.00 175.17 173.41 3i12 h LYS 45 N -2.28 0.00 0.00 2.11 1.57 -1.91 -1.65 116.57 114.41 3i12 h LYS 45 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3i12 h LYS 45 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3i12 h LYS 45 CO 0.38 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 179.07 3i12 n ALA 46 N -1.89 2.69 -0.13 3.86 0.00 -1.26 -4.28 120.51 119.50 3i12 n ALA 46 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i12 n ALA 46 Cb 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3i12 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i12 n GLY 47 N 1.45 0.86 3.81 0.00 0.00 -0.62 -4.94 105.19 105.76 3i12 n GLY 47 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.87 4.22 -0.04 1.61 -1.52 -1.26 -4.84 119.66 116.96 3i12 s GLN 48 Ca 0.00 0.76 -0.07 0.00 -1.95 0.00 0.00 55.36 54.10 3i12 s GLN 48 Cb 0.00 -3.21 -0.04 0.00 -0.22 0.00 0.00 33.01 29.54 3i12 s GLN 48 CO 0.00 0.62 0.22 -1.58 -0.25 0.00 0.00 175.29 174.30 3i12 s TRP 49 N -1.15 3.60 0.16 0.91 0.52 -1.26 -1.47 118.94 120.25 3i12 s TRP 49 Ca 0.30 0.56 -0.01 0.00 0.02 0.00 0.00 56.10 56.98 3i12 s TRP 49 Cb -0.19 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 3i12 s TRP 49 CO 0.20 0.66 0.09 -1.01 0.02 0.00 0.00 176.95 176.91 3i12 s HIS 50 N -1.19 0.99 -0.18 -1.98 3.76 -0.34 -1.23 115.29 115.13 3i12 s HIS 50 Ca 0.23 -1.29 -0.06 0.00 -0.15 0.00 0.00 55.06 53.79 3i12 s HIS 50 Cb -0.13 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.02 3i12 s HIS 50 CO 0.12 -0.58 0.02 0.08 -0.85 0.00 0.00 174.74 173.53 3i12 s VAL 51 N -4.10 4.35 0.37 -0.90 1.01 -1.09 -2.10 120.40 117.95 3i12 s VAL 51 Ca 0.31 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.18 3i12 s VAL 51 Cb 0.07 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3i12 s VAL 51 CO 0.07 0.47 0.10 0.20 0.00 0.00 0.00 175.10 175.93 3i12 s ASN 52 N 0.46 4.37 -0.23 3.32 0.01 -0.20 -4.67 114.94 118.01 3i12 s ASN 52 Ca 0.00 -0.99 -0.05 0.00 -0.71 0.00 0.00 52.86 51.11 3i12 s ASN 52 Cb -0.13 -0.55 -0.02 0.00 0.41 0.00 0.00 41.25 40.95 3i12 s ASN 52 CO 0.02 -0.37 0.01 -0.62 -1.51 0.00 0.00 177.10 174.63 3i12 s ASP 53 N -3.81 4.70 0.57 -1.22 2.15 -1.26 -4.21 116.67 113.59 3i12 s ASP 53 Ca 0.38 -0.29 0.28 0.00 0.43 0.00 0.00 52.55 53.35 3i12 s ASP 53 Cb 0.01 -1.82 1.50 0.00 -0.30 0.00 0.00 42.92 42.31 3i12 s ASP 53 CO 0.21 -0.02 1.96 0.00 -0.17 0.00 0.00 175.17 177.16 3i12 h ALA 54 N 8.09 2.20 0.00 3.66 0.00 -1.97 0.50 119.26 131.74 3i12 h ALA 54 Ca -0.40 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3i12 h ALA 54 Cb 1.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3i12 h ALA 54 CO 0.59 -0.63 -0.49 0.93 0.00 0.00 0.00 179.25 179.65 3i12 h GLU 55 N 0.00 0.00 -0.90 0.00 3.07 -2.02 -3.41 114.58 111.32 3i12 h GLU 55 Ca 0.21 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.90 3i12 h GLU 55 Cb 1.02 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.76 3i12 h GLU 55 CO -0.00 0.49 -0.50 -1.71 -1.40 0.00 0.00 179.01 175.89 3i12 n ASN 56 N -3.93 -3.33 0.00 1.42 5.15 0.15 -4.97 115.26 109.75 3i12 n ASN 56 Ca -0.01 -2.96 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 3i12 n ASN 56 Cb 0.51 1.72 0.00 0.00 -0.53 0.00 0.00 39.78 41.48 3i12 n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i12 n TYR 57 N 2.76 0.00 -4.27 1.20 0.18 -1.12 -4.53 117.16 111.38 3i12 n TYR 57 Ca 0.17 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.66 3i12 n TYR 57 Cb 0.57 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.42 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 -1.60 2.84 -0.10 -3.48 1.43 -1.26 -1.15 118.68 115.36 3i12 s LEU 58 Ca 0.00 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3i12 s LEU 58 Cb 0.00 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3i12 s LEU 58 CO 0.00 0.18 -0.14 -1.10 0.23 0.00 0.00 176.35 175.52 3i12 s GLN 59 N -2.17 3.01 -1.11 1.70 -0.21 -0.04 -4.64 119.66 116.20 3i12 s GLN 59 Ca 0.19 -0.70 -0.03 0.00 0.02 0.00 0.00 55.36 54.85 3i12 s GLN 59 Cb -0.11 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.39 3i12 s GLN 59 CO 0.12 0.38 0.94 0.09 -2.12 0.00 0.00 175.29 174.70 3i12 n ASN 60 N 3.03 -3.37 0.21 5.90 3.02 -1.26 -1.53 115.26 121.26 3i12 n ASN 60 Ca -0.18 -0.52 0.15 0.00 -0.03 0.00 0.00 54.58 54.00 3i12 n ASN 60 Cb 0.52 -4.57 0.75 0.00 -0.61 0.00 0.00 39.78 35.88 3i12 n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i12 h ALA 61 N 0.83 1.00 0.00 5.41 0.00 -1.91 -2.78 119.26 121.81 3i12 h ALA 61 Ca -0.52 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3i12 h ALA 61 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3i12 h ALA 61 CO 0.46 0.00 -0.42 -0.44 0.00 0.00 0.00 179.25 178.85 3i12 h ASP 62 N 0.00 0.00 -2.70 0.00 5.19 -1.96 -3.44 116.42 113.50 3i12 h ASP 62 Ca 0.00 -0.21 -0.55 0.00 -0.62 0.00 0.00 57.03 55.65 3i12 h ASP 62 Cb 0.07 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 3i12 h ASP 62 CO 0.00 0.84 1.19 -0.62 -3.12 0.00 0.00 179.24 177.52 3i12 s ASP 63 N -5.94 5.94 0.43 6.45 2.15 -1.05 -4.88 116.67 119.78 3i12 s ASP 63 Ca -0.13 0.62 0.15 0.00 0.43 0.00 0.00 52.55 53.62 3i12 s ASP 63 Cb 0.01 -2.54 1.04 0.00 -0.30 0.00 0.00 42.92 41.14 3i12 s ASP 63 CO 0.28 -1.80 1.94 1.55 -0.17 0.00 0.00 175.17 176.97 3i12 h PRO 64 N 12.20 0.40 -6.71 4.34 0.13 -1.86 -2.14 132.00 138.35 3i12 h PRO 64 Ca -0.28 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.30 3i12 h PRO 64 Cb 1.13 -0.09 0.06 0.00 0.13 0.00 0.00 31.00 32.22 3i12 h PRO 64 CO 1.14 0.26 0.80 0.00 -0.23 0.00 0.00 178.00 179.97 3i12 s ALA 65 N -5.40 3.67 -1.60 -0.56 0.00 -1.26 -3.35 121.76 113.27 3i12 s ALA 65 Ca -0.08 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3i12 s ALA 65 Cb 0.20 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3i12 s ALA 65 CO 0.76 -0.77 0.00 -2.39 0.00 0.00 0.00 175.76 173.36 3i12 n HIS 66 N 2.73 -0.36 -2.06 0.00 -0.00 -1.26 -4.96 115.22 109.31 3i12 n HIS 66 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.39 3i12 n HIS 66 Cb 0.40 -2.85 -0.03 0.00 -0.00 0.00 0.00 29.99 27.51 3i12 n HIS 66 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3i12 s ILE 67 N -2.33 2.85 0.02 0.61 2.07 -0.80 -4.60 121.20 119.01 3i12 s ILE 67 Ca 0.00 0.68 -0.02 0.00 -1.41 0.00 0.00 60.65 59.90 3i12 s ILE 67 Cb 0.00 -3.44 -0.02 0.00 0.13 0.00 0.00 42.46 39.14 3i12 s ILE 67 CO 0.00 0.09 0.01 0.00 -1.91 0.00 0.00 174.94 173.13 3i12 s ALA 68 N 0.33 0.02 -0.03 1.50 0.00 -0.58 -4.91 121.76 118.09 3i12 s ALA 68 Ca 0.61 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 3i12 s ALA 68 Cb -0.40 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3i12 s ALA 68 CO 0.39 -0.18 1.36 -1.17 0.00 0.00 0.00 175.76 176.16 3i12 s LEU 69 N -1.48 4.29 0.25 0.00 2.96 -1.26 -0.87 118.68 122.58 3i12 s LEU 69 Ca -0.15 2.02 -0.30 0.00 -0.22 0.00 0.00 54.13 55.48 3i12 s LEU 69 Cb -0.09 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.95 3i12 s LEU 69 CO -0.01 -0.71 1.41 -0.60 -1.32 0.00 0.00 176.35 175.13 3i12 s ARG 70 N 2.58 4.29 0.88 1.98 3.52 -0.30 -4.88 118.95 127.01 3i12 s ARG 70 Ca 0.62 2.27 -0.11 0.00 -0.13 0.00 0.00 55.73 58.38 3i12 s ARG 70 Cb -0.29 -3.11 0.13 0.00 -1.56 0.00 0.00 34.95 30.11 3i12 s ARG 70 CO 0.24 -0.38 1.17 -1.25 -0.81 0.00 0.00 175.30 174.27 3i12 s PRO 71 N -0.52 1.19 0.07 5.12 0.04 -1.26 -4.96 135.00 134.67 3i12 s PRO 71 Ca 0.58 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3i12 s PRO 71 Cb -0.41 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3i12 s PRO 71 CO 0.44 -2.52 -0.08 0.45 0.04 0.00 0.00 177.00 175.33 3i12 s SER 72 N -2.51 1.07 0.00 6.66 0.15 -1.26 -5.04 113.70 112.77 3i12 s SER 72 Ca 0.69 -0.73 0.28 0.00 0.70 0.00 0.00 55.95 56.89 3i12 s SER 72 Cb -0.25 0.05 1.00 0.00 -1.71 0.00 0.00 66.02 65.11 3i12 s SER 72 CO 0.56 -0.28 1.73 0.00 1.20 0.00 0.00 173.24 176.44 3i12 n ALA 73 N 0.88 2.91 -3.57 5.45 0.00 -1.26 -4.73 120.51 120.19 3i12 n ALA 73 Ca -0.19 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 3i12 n ALA 73 Cb 0.57 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 3i12 n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i12 s ILE 74 N -2.67 3.62 0.10 0.00 1.01 -1.26 -5.03 121.20 116.97 3i12 s ILE 74 Ca 0.22 -1.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 3i12 s ILE 74 Cb 0.19 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 3i12 s ILE 74 CO 0.54 -0.54 0.37 -0.44 0.00 0.00 0.00 174.94 174.88 3i12 s SER 75 N 1.89 6.55 -0.06 3.58 0.01 -1.26 -2.67 113.70 121.74 3i12 s SER 75 Ca 0.04 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.97 3i12 s SER 75 Cb -0.23 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 3i12 s SER 75 CO -0.01 0.12 -0.04 -0.76 0.41 0.00 0.00 173.24 172.96 3i12 s LEU 76 N -2.27 3.33 0.26 2.44 1.43 -0.36 -0.53 118.68 122.97 3i12 s LEU 76 Ca 0.36 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 3i12 s LEU 76 Cb -0.13 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 3i12 s LEU 76 CO 0.21 0.35 -0.10 0.00 0.23 0.00 0.00 176.35 177.04 3i12 s ALA 77 N -0.88 2.35 -0.06 4.21 0.00 0.36 -4.69 121.76 123.04 3i12 s ALA 77 Ca 0.14 -1.85 0.05 0.00 0.00 0.00 0.00 51.96 50.29 3i12 s ALA 77 Cb -0.11 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3i12 s ALA 77 CO 0.03 0.02 -0.20 -1.14 0.00 0.00 0.00 175.76 174.47 3i12 s GLN 78 N -3.67 2.61 -0.43 0.00 0.74 -1.26 -1.53 119.66 116.12 3i12 s GLN 78 Ca 0.28 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 54.79 3i12 s GLN 78 Cb 0.01 -2.28 0.09 0.00 1.10 0.00 0.00 33.01 31.93 3i12 s GLN 78 CO 0.11 0.45 0.28 0.08 -0.55 0.00 0.00 175.29 175.66 3i12 s VAL 79 N -0.31 4.22 0.61 1.34 1.01 -0.16 -5.01 120.40 122.09 3i12 s VAL 79 Ca 0.01 -1.50 -0.18 0.00 0.00 0.00 0.00 61.98 60.31 3i12 s VAL 79 Cb -0.13 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3i12 s VAL 79 CO 0.02 -0.58 1.16 -2.84 0.00 0.00 0.00 175.10 172.86 3i12 s PRO 80 N 1.41 2.97 0.00 2.72 0.02 -1.26 -3.50 135.00 137.35 3i12 s PRO 80 Ca 0.04 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3i12 s PRO 80 Cb -0.24 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3i12 s PRO 80 CO 0.01 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 3i12 n GLY 81 N 0.13 0.68 3.72 0.52 0.00 -1.26 -5.05 105.19 103.93 3i12 n GLY 81 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.82 2.73 0.00 1.61 1.02 -1.23 -5.02 119.74 118.04 3i12 s LYS 82 Ca 0.00 -0.72 0.14 0.00 0.02 0.00 0.00 55.97 55.41 3i12 s LYS 82 Cb 0.00 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3i12 s LYS 82 CO 0.00 0.57 0.79 0.72 -0.92 0.00 0.00 175.35 176.52 3i12 n HIS 83 N 0.78 0.00 -3.88 3.18 8.25 -1.26 -4.55 115.22 117.74 3i12 n HIS 83 Ca -0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.25 3i12 n HIS 83 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 3i12 n HIS 83 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3i12 s GLN 84 N -1.74 1.16 -1.39 -0.41 -2.07 -1.26 -4.89 119.66 109.05 3i12 s GLN 84 Ca 0.12 -1.05 -0.06 0.00 -1.82 0.00 0.00 55.36 52.56 3i12 s GLN 84 Cb 0.12 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 32.48 3i12 s GLN 84 CO 0.36 -0.44 0.43 0.72 -1.32 0.00 0.00 175.29 175.05 3i12 n HIS 85 N -0.22 -1.76 0.20 9.60 8.25 -1.26 -4.83 115.22 125.19 3i12 n HIS 85 Ca -0.09 0.39 0.04 0.00 -0.26 0.00 0.00 57.72 57.80 3i12 n HIS 85 Cb 0.63 -3.61 0.45 0.00 1.12 0.00 0.00 29.99 28.58 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 -0.94 0.04 -5.61 -0.41 7.50 -1.86 -3.42 115.11 110.41 3i12 h GLN 86 Ca -0.45 -0.01 -0.66 0.00 0.50 0.00 0.00 58.65 58.03 3i12 h GLN 86 Cb 1.31 -0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.73 3i12 h GLN 86 CO 0.52 0.26 -0.53 -0.51 -1.50 0.00 0.00 178.83 177.08 3i12 s LEU 87 N -8.55 4.10 0.10 1.46 1.43 -1.26 -0.99 118.68 114.97 3i12 s LEU 87 Ca -0.04 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3i12 s LEU 87 Cb 0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3i12 s LEU 87 CO 0.71 0.34 -0.08 0.27 0.23 0.00 0.00 176.35 177.82 3i12 s ILE 88 N -0.61 0.80 -0.06 -0.59 -4.36 -0.58 -1.53 121.20 114.26 3i12 s ILE 88 Ca 0.12 -1.74 -0.29 0.00 -0.26 0.00 0.00 60.65 58.47 3i12 s ILE 88 Cb -0.12 -1.46 -0.07 0.00 1.25 0.00 0.00 42.46 42.07 3i12 s ILE 88 CO 0.02 -0.70 1.95 0.21 0.24 0.00 0.00 174.94 176.66 3i12 s ASN 89 N -2.68 6.24 0.62 4.36 3.84 0.13 -0.49 114.94 126.97 3i12 s ASN 89 Ca 0.07 2.32 0.40 0.00 0.21 0.00 0.00 52.86 55.87 3i12 s ASN 89 Cb 0.00 -2.53 2.05 0.00 -0.55 0.00 0.00 41.25 40.23 3i12 s ASN 89 CO -0.02 -1.27 2.24 0.00 -2.79 0.00 0.00 177.10 175.26 3i12 h ALA 90 N 11.52 1.03 0.09 1.71 0.00 -1.09 -1.21 119.26 131.31 3i12 h ALA 90 Ca -0.45 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 3i12 h ALA 90 Cb 1.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3i12 h ALA 90 CO 0.95 0.01 -1.28 1.96 0.00 0.00 0.00 179.25 180.89 3i12 h GLN 91 N 0.00 0.19 0.00 0.00 1.08 -1.89 -3.41 115.11 111.08 3i12 h GLN 91 Ca -0.00 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3i12 h GLN 91 Cb 0.17 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3i12 h GLN 91 CO 0.00 1.11 0.00 0.27 -0.95 0.00 0.00 178.83 179.26 3i12 n ASN 92 N -3.45 0.29 0.00 1.46 0.23 -1.14 -5.01 115.26 107.65 3i12 n ASN 92 Ca -0.09 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 3i12 n ASN 92 Cb 1.01 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.71 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 -0.05 0.67 3.70 4.83 0.00 -0.47 -5.00 105.19 108.87 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 -0.09 4.36 0.22 1.61 0.74 -1.25 -4.69 119.66 120.56 3i12 s GLN 94 Ca 0.00 1.84 -0.30 0.00 0.05 0.00 0.00 55.36 56.95 3i12 s GLN 94 Cb 0.00 -3.43 -0.09 0.00 1.10 0.00 0.00 33.01 30.59 3i12 s GLN 94 CO 0.00 -0.40 0.98 -1.25 -0.55 0.00 0.00 175.29 174.08 3i12 s PRO 95 N 1.63 4.78 0.48 1.67 0.04 -1.26 0.20 135.00 142.53 3i12 s PRO 95 Ca 0.60 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 3i12 s PRO 95 Cb -0.30 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 30.89 3i12 s PRO 95 CO 0.27 0.39 1.09 -0.51 0.04 0.00 0.00 177.00 178.27 3i12 s LEU 96 N -1.00 3.91 0.57 -3.56 1.02 -0.58 -4.87 118.68 114.16 3i12 s LEU 96 Ca 0.43 2.08 -0.21 0.00 0.02 0.00 0.00 54.13 56.45 3i12 s LEU 96 Cb -0.27 -4.44 -0.04 0.00 0.02 0.00 0.00 46.19 41.46 3i12 s LEU 96 CO 0.34 -0.86 1.30 -2.65 0.02 0.00 0.00 176.35 174.49 3i12 n PRO 97 N -0.79 1.50 -2.21 1.29 -0.02 -1.26 -4.51 135.00 128.99 3i12 n PRO 97 Ca 0.09 0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 3i12 n PRO 97 Cb 0.51 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 3i12 n PRO 97 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i12 s THR 98 N -1.33 2.99 0.00 3.45 -4.23 -1.26 -4.89 115.64 110.38 3i12 s THR 98 Ca 0.74 0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 61.92 3i12 s THR 98 Cb -0.42 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 3i12 s THR 98 CO 0.48 0.04 0.38 -0.69 -0.54 0.00 0.00 174.62 174.28 3i12 s VAL 99 N -1.44 5.09 0.02 2.29 1.01 -1.26 -4.89 120.40 121.23 3i12 s VAL 99 Ca 0.61 0.69 0.01 0.00 0.00 0.00 0.00 61.98 63.28 3i12 s VAL 99 Cb -0.31 -3.66 -0.26 0.00 0.00 0.00 0.00 36.38 32.14 3i12 s VAL 99 CO 0.39 0.53 0.92 0.44 0.00 0.00 0.00 175.10 177.38 3i12 h ASP 100 N 4.53 0.27 -5.03 3.32 3.32 -1.41 -3.48 116.42 117.95 3i12 h ASP 100 Ca -0.51 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.06 3i12 h ASP 100 Cb 1.22 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.50 3i12 h ASP 100 CO 0.62 1.31 -0.23 0.68 -1.72 0.00 0.00 179.24 179.90 3i12 s VAL 101 N -2.63 0.07 -0.12 -1.35 -7.23 -1.01 -4.21 120.40 103.91 3i12 s VAL 101 Ca -0.06 -0.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.54 3i12 s VAL 101 Cb 0.08 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 3i12 s VAL 101 CO 0.84 -0.31 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.61 3i12 s ILE 102 N -2.03 3.44 -0.41 -0.62 -1.09 0.30 -0.60 121.20 120.20 3i12 s ILE 102 Ca -0.09 -0.54 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 3i12 s ILE 102 Cb -0.03 -2.45 0.09 0.00 -1.58 0.00 0.00 42.46 38.50 3i12 s ILE 102 CO 0.00 0.53 0.21 0.12 -1.23 0.00 0.00 174.94 174.58 3i12 s PHE 103 N 0.03 3.44 0.02 3.97 5.99 0.04 -0.98 117.98 130.49 3i12 s PHE 103 Ca -0.02 -1.96 -0.28 0.00 0.00 0.00 0.00 56.93 54.66 3i12 s PHE 103 Cb -0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 43.02 39.82 3i12 s PHE 103 CO 0.04 -0.91 0.89 -1.25 -0.00 0.00 0.00 175.22 173.99 3i12 s PRO 104 N 1.28 4.56 -0.08 10.12 0.04 -1.26 -1.91 135.00 147.76 3i12 s PRO 104 Ca 0.04 1.28 0.24 0.00 0.04 0.00 0.00 61.00 62.60 3i12 s PRO 104 Cb -0.23 -3.43 0.44 0.00 0.04 0.00 0.00 34.50 31.32 3i12 s PRO 104 CO -0.01 0.08 1.15 1.51 0.04 0.00 0.00 177.00 179.77 3i12 n ILE 105 N 3.47 0.35 -2.68 0.56 0.13 0.79 -4.94 119.36 117.05 3i12 n ILE 105 Ca 0.03 -1.50 -0.42 0.00 -1.10 0.00 0.00 62.75 59.75 3i12 n ILE 105 Cb 0.51 1.07 -0.03 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 4.10 0.45 9.51 1.01 -1.19 -4.60 120.40 128.62 3i12 s VAL 106 Ca 0.30 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.56 3i12 s VAL 106 Cb 0.36 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 3i12 s VAL 106 CO -0.13 -1.39 1.05 -1.00 0.00 0.00 0.00 175.10 173.64 3i12 s HIS 107 N 4.72 3.09 0.00 5.22 0.09 -1.26 -3.67 115.29 123.48 3i12 s HIS 107 Ca 0.36 1.60 0.00 0.00 -0.00 0.00 0.00 55.06 57.01 3i12 s HIS 107 Cb -0.10 -3.11 0.00 0.00 -0.00 0.00 0.00 32.58 29.37 3i12 s HIS 107 CO 0.20 -0.81 0.00 0.41 -0.00 0.00 0.00 174.74 174.54 3i12 n GLY 108 N 0.03 0.66 0.33 -2.22 0.00 -1.26 -4.64 105.19 98.08 3i12 n GLY 108 Ca 0.08 -0.86 0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 0.13 0.03 2.61 2.02 -1.89 0.91 112.91 116.71 3i12 h THR 109 Ca 0.00 -0.03 -0.38 0.00 0.77 0.00 0.00 66.41 66.76 3i12 h THR 109 Cb 0.00 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.37 3i12 h THR 109 CO 0.00 0.02 -2.36 -0.11 0.37 0.00 0.00 175.52 173.44 3i12 n LEU 110 N -5.29 2.89 0.14 2.58 7.94 -1.26 -4.17 117.00 119.83 3i12 n LEU 110 Ca 0.29 -0.05 0.01 0.00 -1.11 0.00 0.00 56.01 55.14 3i12 n LEU 110 Cb 0.94 -0.96 0.15 0.00 0.53 0.00 0.00 43.42 44.08 3i12 n LEU 110 CO 0.01 0.92 0.49 1.23 -1.11 0.00 0.00 177.39 178.93 3i12 h GLY 111 N 1.76 0.00 -0.65 -3.96 0.00 -1.57 -2.79 103.07 95.86 3i12 h GLY 111 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3i12 h GLY 111 CO -0.05 0.00 -0.26 1.18 0.00 0.00 0.00 176.54 177.41 3i12 n GLU 112 N -3.51 1.79 -0.53 4.80 1.02 0.29 -4.60 120.64 119.90 3i12 n GLU 112 Ca -0.00 -0.76 0.09 0.00 -0.02 0.00 0.00 57.16 56.47 3i12 n GLU 112 Cb 0.66 -1.19 0.33 0.00 -0.02 0.00 0.00 31.44 31.21 3i12 n GLU 112 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i12 n ASP 113 N -0.11 4.42 0.00 1.62 5.68 -1.25 -4.26 116.55 122.66 3i12 n ASP 113 Ca 0.06 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 51.97 3i12 n ASP 113 Cb 0.29 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 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 1.03 2.42 0.09 6.12 0.00 -1.26 -3.82 105.19 109.77 3i12 n GLY 114 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.10 -0.40 1.61 0.02 -1.90 -0.15 113.55 112.63 3i12 h SER 115 Ca 0.00 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 3i12 h SER 115 Cb 0.00 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3i12 h SER 115 CO 0.00 0.21 0.10 0.25 -1.14 0.00 0.00 176.83 176.25 3i12 h LEU 116 N -0.41 0.66 -0.79 5.07 5.85 -1.79 -2.70 115.31 121.20 3i12 h LEU 116 Ca -0.01 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3i12 h LEU 116 Cb 0.35 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3i12 h LEU 116 CO 0.02 0.67 -0.27 1.56 -0.34 0.00 0.00 178.44 180.08 3i12 h GLN 117 N 0.69 0.61 -0.38 1.25 7.50 -1.77 -0.83 115.11 122.19 3i12 h GLN 117 Ca 0.15 -0.25 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 3i12 h GLN 117 Cb 0.28 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.77 3i12 h GLN 117 CO 0.00 0.82 0.21 0.78 -1.50 0.00 0.00 178.83 179.14 3i12 h GLY 118 N 1.01 0.56 1.34 3.46 0.00 -0.76 -0.70 103.07 107.99 3i12 h GLY 118 Ca 0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 3i12 h GLY 118 CO 0.06 0.25 -0.01 1.98 0.00 0.00 0.00 176.54 178.82 3i12 h MET 119 N 0.48 0.80 -0.05 4.80 1.85 -1.13 -1.36 114.93 120.32 3i12 h MET 119 Ca 0.13 -0.22 -0.10 0.00 -0.61 0.00 0.00 59.70 58.90 3i12 h MET 119 Cb 0.06 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 3i12 h MET 119 CO -0.02 0.81 -0.43 -0.07 -0.40 0.00 0.00 176.91 176.80 3i12 h LEU 120 N 0.75 0.13 -0.32 3.39 3.38 -0.80 -0.71 115.31 121.12 3i12 h LEU 120 Ca 0.14 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3i12 h LEU 120 Cb 0.46 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3i12 h LEU 120 CO 0.02 0.55 -0.21 0.03 0.09 0.00 0.00 178.44 178.92 3i12 h ARG 121 N 0.10 0.71 -0.77 1.13 3.08 -0.71 -1.95 114.38 115.97 3i12 h ARG 121 Ca 0.01 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.75 3i12 h ARG 121 Cb 0.81 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 3i12 h ARG 121 CO 0.06 0.94 0.49 0.28 -1.07 0.00 0.00 179.97 180.67 3i12 h VAL 122 N 0.48 1.12 0.00 2.04 2.07 -0.87 -2.28 116.25 118.81 3i12 h VAL 122 Ca 0.07 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3i12 h VAL 122 Cb 0.75 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3i12 h VAL 122 CO 0.06 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.82 3i12 n ALA 123 N -2.33 1.95 -3.04 1.67 0.00 -0.31 -4.10 120.51 114.37 3i12 n ALA 123 Ca 0.09 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3i12 n ALA 123 Cb 0.08 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.14 -3.62 -4.74 0.00 4.13 -0.86 -4.74 115.26 104.29 3i12 n ASN 124 Ca 0.09 -0.16 -0.37 0.00 1.68 0.00 0.00 54.58 55.81 3i12 n ASN 124 Cb 0.09 -3.03 -0.06 0.00 -1.54 0.00 0.00 39.78 35.23 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 -6.14 4.29 0.61 3.41 1.43 -0.78 -5.04 118.68 116.47 3i12 s LEU 125 Ca 0.26 0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 53.92 3i12 s LEU 125 Cb -0.14 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3i12 s LEU 125 CO 0.32 0.07 1.29 -2.84 0.23 0.00 0.00 176.35 175.42 3i12 s PRO 126 N 0.35 2.82 -0.07 1.29 0.02 -1.26 -4.75 135.00 133.39 3i12 s PRO 126 Ca 0.23 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 3i12 s PRO 126 Cb -0.15 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.42 3i12 s PRO 126 CO 0.09 -1.39 0.29 -0.59 -0.33 0.00 0.00 177.00 175.06 3i12 s PHE 127 N -1.41 -0.25 0.38 6.54 -0.12 -1.26 -0.54 117.98 121.32 3i12 s PHE 127 Ca 0.78 0.55 -0.26 0.00 -0.05 0.00 0.00 56.93 57.95 3i12 s PHE 127 Cb -0.37 0.09 -0.09 0.00 -0.63 0.00 0.00 43.02 42.03 3i12 s PHE 127 CO 0.40 -0.24 1.18 0.14 -0.05 0.00 0.00 175.22 176.65 3i12 s VAL 128 N -0.43 3.14 0.00 -2.49 -7.23 -0.15 -4.68 120.40 108.55 3i12 s VAL 128 Ca -0.05 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 3i12 s VAL 128 Cb -0.04 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.34 3i12 s VAL 128 CO 0.02 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 3i12 n GLY 129 N 0.69 -2.11 3.81 2.32 0.00 -1.26 -4.50 105.19 104.14 3i12 n GLY 129 Ca 0.03 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.41 6.00 0.55 1.61 0.01 -0.94 -4.46 113.70 113.06 3i12 s SER 130 Ca 0.00 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.02 3i12 s SER 130 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3i12 s SER 130 CO 0.00 -1.02 0.00 -0.67 0.41 0.00 0.00 173.24 171.96 3i12 n ASP 131 N -1.91 0.00 0.22 2.44 2.03 -1.26 -4.69 116.55 113.39 3i12 n ASP 131 Ca 0.08 -0.95 -0.16 0.00 0.52 0.00 0.00 54.79 54.28 3i12 n ASP 131 Cb 0.53 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.55 0.18 0.30 5.18 2.07 -1.88 -0.62 116.25 120.93 3i12 h VAL 132 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i12 h VAL 132 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3i12 h VAL 132 CO 0.00 0.00 -0.15 0.25 0.02 0.00 0.00 177.57 177.69 3i12 h LEU 133 N -0.79 -0.35 -0.81 2.57 5.85 -1.94 -0.44 115.31 119.39 3i12 h LEU 133 Ca -0.02 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.64 3i12 h LEU 133 Cb 0.72 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 3i12 h LEU 133 CO -0.10 -0.00 0.44 -1.28 -0.34 0.00 0.00 178.44 177.16 3i12 h SER 134 N -0.72 0.58 -0.63 1.25 0.87 -1.78 0.35 113.55 113.48 3i12 h SER 134 Ca -0.04 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 3i12 h SER 134 Cb 0.49 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3i12 h SER 134 CO 0.07 0.30 0.11 0.28 -0.53 0.00 0.00 176.83 177.06 3i12 h SER 135 N 0.70 1.00 0.10 6.23 0.02 -0.82 -1.34 113.55 119.44 3i12 h SER 135 Ca 0.41 -0.26 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 3i12 h SER 135 Cb 0.47 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3i12 h SER 135 CO -0.29 1.00 -0.74 0.00 -1.14 0.00 0.00 176.83 175.66 3i12 h ALA 136 N 1.03 0.50 -0.12 3.77 0.00 -0.47 -2.74 119.26 121.23 3i12 h ALA 136 Ca 0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3i12 h ALA 136 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i12 h ALA 136 CO 0.01 0.73 0.03 0.00 0.00 0.00 0.00 179.25 180.03 3i12 h ALA 137 N 0.81 0.16 -0.09 0.00 0.00 -0.21 -1.59 119.26 118.34 3i12 h ALA 137 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3i12 h ALA 137 Cb 1.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3i12 h ALA 137 CO 0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 179.25 179.10 3i12 h MET 139 N 0.12 0.00 -4.99 0.00 1.85 -1.26 -3.40 114.93 107.25 3i12 h MET 139 Ca 0.03 0.00 -0.67 0.00 -0.61 0.00 0.00 59.70 58.44 3i12 h MET 139 Cb 0.20 0.00 -0.18 0.00 0.43 0.00 0.00 31.60 32.05 3i12 h MET 139 CO 0.01 0.71 0.26 0.34 -0.40 0.00 0.00 176.91 177.84 3i12 s ASP 140 N -6.57 6.19 0.50 1.39 -1.08 -0.62 -4.37 116.67 112.11 3i12 s ASP 140 Ca 0.03 -1.22 0.17 0.00 -0.52 0.00 0.00 52.55 51.00 3i12 s ASP 140 Cb 0.09 -2.34 1.23 0.00 -1.46 0.00 0.00 42.92 40.43 3i12 s ASP 140 CO 0.78 -1.21 2.10 0.11 0.52 0.00 0.00 175.17 177.47 3i12 h LYS 141 N 9.30 0.00 0.13 4.34 1.57 -1.50 0.15 116.57 130.56 3i12 h LYS 141 Ca -0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3i12 h LYS 141 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3i12 h LYS 141 CO 1.12 0.06 -0.06 0.22 -0.57 0.00 0.00 179.45 180.22 3i12 h ASP 142 N 0.00 -0.14 -0.62 0.86 3.58 -1.91 -1.80 116.42 116.39 3i12 h ASP 142 Ca -0.00 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 3i12 h ASP 142 Cb 0.11 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3i12 h ASP 142 CO 0.01 0.27 0.29 -0.37 -2.88 0.00 0.00 179.24 176.55 3i12 h VAL 143 N -0.58 1.22 -0.56 2.25 -1.51 -1.62 -1.61 116.25 113.84 3i12 h VAL 143 Ca -0.02 -0.62 0.08 0.00 -1.23 0.00 0.00 66.70 64.91 3i12 h VAL 143 Cb 0.45 0.49 -0.07 0.00 -2.13 0.00 0.00 31.29 30.04 3i12 h VAL 143 CO 0.03 0.25 0.20 0.00 -1.23 0.00 0.00 177.57 176.82 3i12 h ALA 144 N 1.12 0.70 -0.10 5.19 0.00 -0.73 -0.68 119.26 124.76 3i12 h ALA 144 Ca 0.21 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3i12 h ALA 144 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i12 h ALA 144 CO -0.03 -0.21 -0.56 0.87 0.00 0.00 0.00 179.25 179.32 3i12 h LYS 145 N 0.38 0.31 -0.42 0.00 1.57 -1.13 -0.78 116.57 116.50 3i12 h LYS 145 Ca 0.28 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3i12 h LYS 145 Cb 0.32 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3i12 h LYS 145 CO -0.28 0.79 -0.21 0.00 -0.57 0.00 0.00 179.45 179.18 3i12 h ARG 146 N 0.24 0.88 -0.36 3.15 3.08 -0.64 0.22 114.38 120.96 3i12 h ARG 146 Ca 0.00 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 3i12 h ARG 146 Cb 1.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3i12 h ARG 146 CO 0.09 1.04 0.05 -0.07 -1.07 0.00 0.00 179.97 180.01 3i12 h LEU 147 N 0.71 0.57 -1.09 3.04 3.38 -0.95 -0.80 115.31 120.17 3i12 h LEU 147 Ca 0.09 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3i12 h LEU 147 Cb 0.77 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3i12 h LEU 147 CO 0.06 0.69 0.12 -0.07 0.09 0.00 0.00 178.44 179.33 3i12 h LEU 148 N 0.43 0.71 -0.38 1.67 3.38 -1.02 -0.21 115.31 119.89 3i12 h LEU 148 Ca 0.11 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3i12 h LEU 148 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3i12 h LEU 148 CO 0.01 0.71 -0.16 -0.09 0.09 0.00 0.00 178.44 178.99 3i12 h ARG 149 N 0.74 0.77 -0.02 1.13 2.43 -0.31 -1.20 114.38 117.91 3i12 h ARG 149 Ca 0.16 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3i12 h ARG 149 Cb 0.28 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3i12 h ARG 149 CO -0.00 0.95 -0.09 0.22 -1.51 0.00 0.00 179.97 179.53 3i12 h ASP 150 N 0.57 0.03 0.11 -3.80 3.58 -0.76 0.19 116.42 116.34 3i12 h ASP 150 Ca 0.09 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3i12 h ASP 150 Cb 0.70 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.74 3i12 h ASP 150 CO 0.05 0.13 0.00 0.00 -2.88 0.00 0.00 179.24 176.54 3i12 n ALA 151 N -2.52 2.37 -1.41 -0.78 0.00 -0.13 -4.87 120.51 113.18 3i12 n ALA 151 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 3i12 n ALA 151 Cb 0.18 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 0.59 0.46 3.92 0.00 0.00 0.05 -5.04 105.19 105.17 3i12 n GLY 152 Ca 0.17 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.59 4.15 -0.15 0.99 1.43 -0.48 -5.04 118.68 119.00 3i12 s LEU 153 Ca 0.00 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.35 3i12 s LEU 153 Cb 0.00 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 3i12 s LEU 153 CO 0.00 -0.11 1.13 0.20 0.23 0.00 0.00 176.35 177.80 3i12 s ASN 154 N -3.14 7.08 0.22 2.29 0.01 -1.26 -4.51 114.94 115.62 3i12 s ASN 154 Ca 0.41 1.58 0.04 0.00 -0.71 0.00 0.00 52.86 54.17 3i12 s ASN 154 Cb -0.11 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 3i12 s ASN 154 CO 0.29 -0.63 -0.02 0.27 -1.51 0.00 0.00 177.10 175.50 3i12 s ILE 155 N 2.85 1.04 0.16 0.60 -4.36 -1.26 -0.55 121.20 119.68 3i12 s ILE 155 Ca 0.50 -2.04 -0.31 0.00 -0.26 0.00 0.00 60.65 58.55 3i12 s ILE 155 Cb -0.19 -2.26 -0.09 0.00 1.25 0.00 0.00 42.46 41.17 3i12 s ILE 155 CO 0.14 -0.39 1.42 0.00 0.24 0.00 0.00 174.94 176.35 3i12 s ALA 156 N -3.42 3.63 0.63 2.27 0.00 -1.26 -4.93 121.76 118.68 3i12 s ALA 156 Ca 0.27 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 3i12 s ALA 156 Cb 0.05 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3i12 s ALA 156 CO 0.07 -0.66 1.10 -2.30 0.00 0.00 0.00 175.76 173.97 3i12 n PRO 157 N 3.52 0.95 -3.44 0.00 -0.02 -1.26 -4.75 135.00 130.00 3i12 n PRO 157 Ca 0.10 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 3i12 n PRO 157 Cb 0.41 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.47 -0.52 0.14 6.00 -0.12 -1.26 -1.33 117.98 119.41 3i12 s PHE 158 Ca 0.79 0.38 0.06 0.00 -0.05 0.00 0.00 56.93 58.11 3i12 s PHE 158 Cb -0.40 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3i12 s PHE 158 CO 0.44 -0.79 -0.14 0.96 -0.05 0.00 0.00 175.22 175.63 3i12 s ILE 159 N -3.47 1.43 -0.16 -4.49 -5.25 -0.33 -4.99 121.20 103.95 3i12 s ILE 159 Ca 0.01 -1.82 0.02 0.00 -0.99 0.00 0.00 60.65 57.87 3i12 s ILE 159 Cb -0.01 -1.65 0.01 0.00 2.95 0.00 0.00 42.46 43.76 3i12 s ILE 159 CO -0.11 -0.44 -0.21 0.42 -1.79 0.00 0.00 174.94 172.81 3i12 s THR 160 N -2.29 2.09 0.07 8.37 -4.23 -1.26 -0.95 115.64 117.43 3i12 s THR 160 Ca 0.12 -0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 59.49 3i12 s THR 160 Cb -0.04 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 71.88 3i12 s THR 160 CO 0.04 0.54 0.54 -0.76 -0.54 0.00 0.00 174.62 174.44 3i12 s LEU 161 N 0.99 4.50 0.39 4.79 1.43 0.79 -4.91 118.68 126.64 3i12 s LEU 161 Ca -0.03 1.20 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 3i12 s LEU 161 Cb -0.15 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 3i12 s LEU 161 CO -0.06 0.26 0.01 0.42 0.23 0.00 0.00 176.35 177.22 3i12 s THR 162 N -1.15 1.83 0.43 5.49 -4.23 -1.26 -1.07 115.64 115.66 3i12 s THR 162 Ca 0.29 -2.01 0.15 0.00 -1.18 0.00 0.00 61.69 58.94 3i12 s THR 162 Cb -0.19 -2.93 0.35 0.00 1.34 0.00 0.00 72.50 71.08 3i12 s THR 162 CO 0.18 -0.02 1.93 0.03 -0.54 0.00 0.00 174.62 176.21 3i12 h ARG 163 N 1.87 0.41 0.00 3.99 2.47 -1.98 -0.56 114.38 120.57 3i12 h ARG 163 Ca -0.43 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3i12 h ARG 163 Cb 1.24 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 3i12 h ARG 163 CO 0.78 0.27 -1.06 0.25 0.56 0.00 0.00 179.97 180.77 3i12 n THR 164 N -4.48 0.14 0.56 2.04 -2.24 -1.26 -3.95 114.28 105.09 3i12 n THR 164 Ca 0.13 -0.23 0.07 0.00 -2.27 0.00 0.00 64.05 61.75 3i12 n THR 164 Cb 0.49 0.26 0.06 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.93 2.14 -0.28 3.42 0.23 -1.14 -4.80 115.26 112.90 3i12 n ASN 165 Ca 0.02 -1.57 0.10 0.00 -0.53 0.00 0.00 54.58 52.60 3i12 n ASN 165 Cb 0.43 -0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.38 3i12 n ASN 165 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3i12 h ARG 166 N 2.66 0.34 -0.07 -3.83 2.43 -1.22 -2.01 114.38 112.67 3i12 h ARG 166 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i12 h ARG 166 Cb 0.57 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3i12 h ARG 166 CO 0.00 0.23 0.00 0.72 -1.51 0.00 0.00 179.97 179.41 3i12 n HIS 167 N -5.09 0.06 1.25 2.20 8.25 -1.26 -3.60 115.22 117.04 3i12 n HIS 167 Ca 0.19 -0.04 0.10 0.00 -0.26 0.00 0.00 57.72 57.71 3i12 n HIS 167 Cb 0.57 -0.00 0.60 0.00 1.12 0.00 0.00 29.99 32.28 3i12 n HIS 167 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i12 n ALA 168 N 1.12 2.24 -3.93 -1.41 0.00 -0.76 -4.49 120.51 113.29 3i12 n ALA 168 Ca 0.12 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3i12 n ALA 168 Cb 0.50 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 3i12 n ALA 168 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i12 s PHE 169 N -2.06 3.61 0.80 0.00 0.08 -1.24 -5.09 117.98 114.08 3i12 s PHE 169 Ca 0.30 -2.86 -0.11 0.00 0.12 0.00 0.00 56.93 54.38 3i12 s PHE 169 Cb 0.14 -3.01 0.07 0.00 -0.57 0.00 0.00 43.02 39.66 3i12 s PHE 169 CO 0.25 -0.92 1.09 -1.54 -0.10 0.00 0.00 175.22 174.00 3i12 s SER 170 N 0.95 4.25 0.16 1.36 1.04 -1.26 -4.82 113.70 115.38 3i12 s SER 170 Ca 0.12 1.73 -0.15 0.00 0.48 0.00 0.00 55.95 58.13 3i12 s SER 170 Cb -0.21 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.52 3i12 s SER 170 CO -0.06 -2.18 1.78 0.15 0.98 0.00 0.00 173.24 173.91 3i12 h PHE 171 N -1.23 0.66 -0.56 5.02 3.57 -1.98 -0.73 116.94 121.68 3i12 h PHE 171 Ca -0.45 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.15 3i12 h PHE 171 Cb 1.24 -0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.66 3i12 h PHE 171 CO 0.54 0.48 -0.23 0.00 -2.23 0.00 0.00 178.31 176.87 3i12 h ALA 172 N 1.12 0.19 -0.52 2.41 0.00 -1.99 0.12 119.26 120.58 3i12 h ALA 172 Ca 0.17 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3i12 h ALA 172 Cb 0.03 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3i12 h ALA 172 CO -0.03 -0.54 0.05 1.49 0.00 0.00 0.00 179.25 180.21 3i12 h GLU 173 N -0.09 0.85 -0.37 0.00 4.81 -1.85 -0.90 114.58 117.04 3i12 h GLU 173 Ca 0.26 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3i12 h GLU 173 Cb 0.49 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3i12 h GLU 173 CO -0.62 0.82 0.08 0.28 -0.73 0.00 0.00 179.01 178.84 3i12 h VAL 174 N 0.80 1.23 -0.74 0.32 2.07 -0.40 -1.93 116.25 117.60 3i12 h VAL 174 Ca 0.16 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3i12 h VAL 174 Cb 0.41 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3i12 h VAL 174 CO 0.01 0.27 0.47 -0.08 0.02 0.00 0.00 177.57 178.26 3i12 h GLU 175 N 0.45 0.99 -0.27 1.57 4.81 -0.47 -0.13 114.58 121.53 3i12 h GLU 175 Ca 0.11 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3i12 h GLU 175 Cb 0.32 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3i12 h GLU 175 CO 0.00 0.68 0.02 1.03 -0.73 0.00 0.00 179.01 180.01 3i12 h SER 176 N 1.01 -0.06 0.69 1.04 0.87 -1.14 0.48 113.55 116.44 3i12 h SER 176 Ca 0.27 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 3i12 h SER 176 Cb -0.07 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3i12 h SER 176 CO -0.05 0.00 -0.50 -0.09 -0.53 0.00 0.00 176.83 175.66 3i12 h ARG 177 N 0.11 0.00 0.00 2.24 2.43 -0.64 -3.40 114.38 115.12 3i12 h ARG 177 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3i12 h ARG 177 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3i12 h ARG 177 CO -0.19 0.50 -0.56 1.28 -1.51 0.00 0.00 179.97 179.48 3i12 n LEU 178 N -3.71 0.00 0.00 3.80 4.77 -0.13 -5.02 117.00 116.72 3i12 n LEU 178 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3i12 n LEU 178 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3i12 n LEU 178 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3i12 n GLY 179 N 1.82 -2.62 3.26 -0.72 0.00 0.17 -4.75 105.19 102.36 3i12 n GLY 179 Ca 0.00 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 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 2.37 0.95 0.99 1.43 -1.26 -4.48 118.68 118.68 3i12 s LEU 180 Ca 0.00 -0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 52.17 3i12 s LEU 180 Cb 0.00 -0.68 0.19 0.00 0.03 0.00 0.00 46.19 45.72 3i12 s LEU 180 CO 0.00 -0.07 1.31 -2.16 0.23 0.00 0.00 176.35 175.66 3i12 s PRO 181 N -2.43 0.75 0.24 1.29 0.04 -1.26 -4.89 135.00 128.74 3i12 s PRO 181 Ca 0.09 -0.35 0.08 0.00 0.04 0.00 0.00 61.00 60.86 3i12 s PRO 181 Cb -0.07 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 3i12 s PRO 181 CO 0.04 -2.35 -0.13 -0.51 0.04 0.00 0.00 177.00 174.09 3i12 s LEU 182 N -5.88 2.55 -0.05 -3.56 1.43 -0.33 -1.68 118.68 111.17 3i12 s LEU 182 Ca 0.73 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3i12 s LEU 182 Cb -0.05 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 3i12 s LEU 182 CO 0.53 -0.18 -0.20 -0.36 0.23 0.00 0.00 176.35 176.37 3i12 s PHE 183 N -2.89 1.95 -0.12 0.29 0.08 0.27 -0.12 117.98 117.44 3i12 s PHE 183 Ca 0.26 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.78 3i12 s PHE 183 Cb -0.00 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 3i12 s PHE 183 CO 0.10 -0.18 -0.19 0.08 -0.10 0.00 0.00 175.22 174.93 3i12 s VAL 184 N -0.05 1.80 -0.02 -0.44 1.01 -0.34 0.09 120.40 122.45 3i12 s VAL 184 Ca -0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3i12 s VAL 184 Cb -0.12 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3i12 s VAL 184 CO 0.03 0.50 0.15 -1.59 0.00 0.00 0.00 175.10 174.19 3i12 s LYS 185 N 0.76 0.39 0.50 2.72 -2.85 0.46 -0.96 119.74 120.78 3i12 s LYS 185 Ca -0.10 -0.19 -0.23 0.00 -1.00 0.00 0.00 55.97 54.45 3i12 s LYS 185 Cb -0.16 0.17 -0.06 0.00 -2.06 0.00 0.00 37.83 35.72 3i12 s LYS 185 CO 0.01 -0.09 1.39 -1.25 0.10 0.00 0.00 175.35 175.52 3i12 s PRO 186 N -0.90 3.38 0.24 1.78 0.05 -1.26 0.82 135.00 139.11 3i12 s PRO 186 Ca -0.10 2.32 -0.04 0.00 0.05 0.00 0.00 61.00 63.23 3i12 s PRO 186 Cb -0.05 -2.44 0.26 0.00 0.05 0.00 0.00 34.50 32.31 3i12 s PRO 186 CO 0.01 -1.03 1.74 0.00 0.05 0.00 0.00 177.00 177.78 3i12 h ALA 187 N 1.85 1.04 -3.37 8.56 0.00 -1.04 -3.38 119.26 122.92 3i12 h ALA 187 Ca -0.51 -0.26 -0.63 0.00 0.00 0.00 0.00 54.91 53.51 3i12 h ALA 187 Cb 1.28 -0.22 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 3i12 h ALA 187 CO 0.59 0.60 -0.71 -0.80 0.00 0.00 0.00 179.25 178.94 3i12 s ASN 188 N -6.59 4.29 0.00 0.00 -0.87 -1.26 -1.55 114.94 108.95 3i12 s ASN 188 Ca -0.10 -2.38 0.00 0.00 -1.57 0.00 0.00 52.86 48.80 3i12 s ASN 188 Cb 0.15 -1.37 0.00 0.00 -0.02 0.00 0.00 41.25 40.00 3i12 s ASN 188 CO 0.82 -0.32 0.00 1.67 -2.57 0.00 0.00 177.10 176.70 3i12 n GLN 189 N 3.92 0.00 -1.02 -0.60 -0.06 -1.26 -4.82 117.38 113.53 3i12 n GLN 189 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 3i12 n GLN 189 Cb 0.38 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.56 3i12 n GLN 189 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i12 n GLY 190 N 0.60 -4.19 2.91 1.69 0.00 -1.26 -4.76 105.19 100.19 3i12 n GLY 190 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 3i12 n GLY 190 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i12 s SER 191 N -2.04 0.28 -0.00 1.61 1.04 -1.26 -4.60 113.70 108.74 3i12 s SER 191 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 3i12 s SER 191 Cb 0.00 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.23 3i12 s SER 191 CO 0.00 -0.31 0.00 -1.20 0.98 0.00 0.00 173.24 172.71 3i12 n SER 192 N 5.36 -0.49 -4.88 7.02 7.64 -1.26 -5.02 113.62 121.99 3i12 n SER 192 Ca -0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.53 3i12 n SER 192 Cb 0.50 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 3i12 n SER 192 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i12 s VAL 193 N -0.09 5.03 -0.91 0.44 0.11 -1.26 -1.88 120.40 121.84 3i12 s VAL 193 Ca 0.00 0.32 -0.24 0.00 -2.93 0.00 0.00 61.98 59.12 3i12 s VAL 193 Cb 0.00 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 3i12 s VAL 193 CO 0.00 0.02 1.77 -0.83 -3.33 0.00 0.00 175.10 172.73 3i12 s GLY 194 N -2.30 0.52 -0.03 6.54 0.00 -1.26 -4.60 107.32 106.18 3i12 s GLY 194 Ca 0.43 -1.66 -0.25 0.00 0.00 0.00 0.00 44.72 43.24 3i12 s GLY 194 CO 0.22 3.22 0.77 0.14 0.00 0.00 0.00 173.10 177.46 3i12 s VAL 195 N 8.37 4.95 0.04 1.40 1.01 -0.79 -4.21 120.40 131.18 3i12 s VAL 195 Ca 0.62 1.61 0.05 0.00 0.00 0.00 0.00 61.98 64.26 3i12 s VAL 195 Cb -0.05 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3i12 s VAL 195 CO -0.01 0.25 -0.13 -0.44 0.00 0.00 0.00 175.10 174.77 3i12 s SER 196 N 0.68 1.59 -0.13 3.32 0.01 -0.13 -4.98 113.70 114.06 3i12 s SER 196 Ca 0.41 -0.47 -0.14 0.00 1.31 0.00 0.00 55.95 57.06 3i12 s SER 196 Cb -0.19 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 3i12 s SER 196 CO 0.21 0.01 0.31 -0.75 0.41 0.00 0.00 173.24 173.43 3i12 s LYS 197 N -1.19 4.15 -0.05 12.44 2.20 -1.26 -1.20 119.74 134.83 3i12 s LYS 197 Ca 0.01 0.15 0.05 0.00 -0.36 0.00 0.00 55.97 55.81 3i12 s LYS 197 Cb -0.08 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3i12 s LYS 197 CO 0.01 0.33 -0.21 0.08 -0.36 0.00 0.00 175.35 175.21 3i12 s VAL 198 N 0.16 1.73 0.00 4.02 1.01 0.83 -4.96 120.40 123.19 3i12 s VAL 198 Ca 0.18 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3i12 s VAL 198 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3i12 s VAL 198 CO 0.06 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.64 3i12 n ALA 199 N 3.12 1.85 -3.18 5.51 0.00 -1.26 -1.19 120.51 125.36 3i12 n ALA 199 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3i12 n ALA 199 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.60 0.34 0.17 0.00 2.20 -1.26 -4.99 114.94 109.79 3i12 s ASN 200 Ca 0.00 -1.19 -0.14 0.00 -0.94 0.00 0.00 52.86 50.58 3i12 s ASN 200 Cb 0.00 0.67 0.08 0.00 -2.00 0.00 0.00 41.25 40.00 3i12 s ASN 200 CO 0.00 -1.30 1.80 -0.08 -2.94 0.00 0.00 177.10 174.57 3i12 h GLU 201 N 2.15 0.50 -0.21 3.55 4.81 -1.98 -2.10 114.58 121.30 3i12 h GLU 201 Ca -0.28 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.85 3i12 h GLU 201 Cb 1.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3i12 h GLU 201 CO 0.38 0.33 -0.19 0.00 -0.73 0.00 0.00 179.01 178.80 3i12 h ALA 202 N 1.22 1.29 -0.45 2.92 0.00 -2.00 -1.55 119.26 120.69 3i12 h ALA 202 Ca 0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3i12 h ALA 202 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3i12 h ALA 202 CO -0.10 0.47 -0.19 1.96 0.00 0.00 0.00 179.25 181.39 3i12 h GLN 203 N 0.33 0.90 0.51 0.00 4.20 -1.89 -2.59 115.11 116.57 3i12 h GLN 203 Ca 0.06 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 3i12 h GLN 203 Cb 0.53 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3i12 h GLN 203 CO 0.03 1.01 -0.38 -0.92 -0.67 0.00 0.00 178.83 177.90 3i12 h TYR 204 N 0.78 -1.02 -0.23 2.96 3.20 -0.87 0.24 116.97 122.03 3i12 h TYR 204 Ca 0.11 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3i12 h TYR 204 Cb 0.73 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 3i12 h TYR 204 CO 0.04 -0.56 -0.13 0.37 -1.64 0.00 0.00 178.16 176.25 3i12 h GLN 205 N -0.87 0.38 -0.17 1.82 5.75 -1.20 -0.41 115.11 120.41 3i12 h GLN 205 Ca -0.06 -0.10 -0.13 0.00 -0.15 0.00 0.00 58.65 58.21 3i12 h GLN 205 Cb 0.74 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.24 3i12 h GLN 205 CO 0.01 0.51 -0.41 0.37 -2.65 0.00 0.00 178.83 176.66 3i12 h GLN 206 N 0.35 0.57 -0.44 1.69 5.75 -1.35 -2.20 115.11 119.49 3i12 h GLN 206 Ca 0.07 -0.39 -0.00 0.00 -0.15 0.00 0.00 58.65 58.17 3i12 h GLN 206 Cb 0.44 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3i12 h GLN 206 CO 0.03 1.01 0.26 0.00 -2.65 0.00 0.00 178.83 177.47 3i12 h ALA 207 N 0.56 0.56 -0.04 3.38 0.00 0.29 0.27 119.26 124.28 3i12 h ALA 207 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i12 h ALA 207 Cb 1.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3i12 h ALA 207 CO 0.09 0.06 -0.04 0.28 0.00 0.00 0.00 179.25 179.63 3i12 h VAL 208 N 0.58 0.87 -0.25 0.00 2.07 -1.14 0.18 116.25 118.56 3i12 h VAL 208 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 3i12 h VAL 208 Cb 0.01 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3i12 h VAL 208 CO -0.03 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.64 3i12 h ALA 209 N 0.97 0.27 -0.28 1.67 0.00 -1.22 -0.44 119.26 120.23 3i12 h ALA 209 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3i12 h ALA 209 Cb 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3i12 h ALA 209 CO -0.08 -0.34 -0.00 1.25 0.00 0.00 0.00 179.25 180.08 3i12 h LEU 210 N 0.18 -0.12 -0.79 0.00 5.85 -0.58 -2.95 115.31 116.90 3i12 h LEU 210 Ca 0.11 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3i12 h LEU 210 Cb 0.09 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3i12 h LEU 210 CO -0.12 -0.03 0.47 0.00 -0.34 0.00 0.00 178.44 178.42 3i12 h ALA 211 N 1.24 1.01 0.00 1.25 0.00 -0.13 -0.14 119.26 122.50 3i12 h ALA 211 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i12 h ALA 211 Cb 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i12 h ALA 211 CO -0.23 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.70 3i12 n PHE 212 N -4.46 0.07 0.22 0.00 3.01 -0.22 -0.43 117.46 115.66 3i12 n PHE 212 Ca 0.08 0.04 0.12 0.00 1.01 0.00 0.00 57.45 58.69 3i12 n PHE 212 Cb 0.06 -0.56 0.23 0.00 -0.01 0.00 0.00 39.48 39.21 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 -0.87 -3.34 114.58 114.36 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 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3i12 h GLU 213 CO 0.00 0.05 -1.59 1.19 -1.00 0.00 0.00 179.01 177.66 3i12 n PHE 214 N -3.12 0.03 -3.78 4.33 3.72 0.43 -5.02 117.46 114.05 3i12 n PHE 214 Ca 0.03 0.01 -0.07 0.00 -0.05 0.00 0.00 57.45 57.37 3i12 n PHE 214 Cb 0.52 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 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 -4.00 -0.30 0.00 4.37 2.15 -1.08 -4.93 116.67 112.88 3i12 s ASP 215 Ca -0.02 -0.49 0.28 0.00 0.43 0.00 0.00 52.55 52.75 3i12 s ASP 215 Cb 0.15 0.68 1.12 0.00 -0.30 0.00 0.00 42.92 44.56 3i12 s ASP 215 CO 0.89 -1.24 1.78 1.41 -0.17 0.00 0.00 175.17 177.84 3i12 n HIS 216 N -0.45 0.00 -3.87 -5.34 8.25 -1.26 -4.39 115.22 108.15 3i12 n HIS 216 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 3i12 n HIS 216 Cb 0.60 -0.01 -0.14 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 -2.05 0.05 -0.04 -0.41 1.02 -1.26 -3.80 119.74 113.25 3i12 s LYS 217 Ca 0.38 -0.04 0.02 0.00 0.02 0.00 0.00 55.97 56.35 3i12 s LYS 217 Cb 0.21 0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 3i12 s LYS 217 CO 0.36 -0.01 -0.10 0.08 -0.92 0.00 0.00 175.35 174.76 3i12 s VAL 218 N -0.14 0.86 -0.19 3.17 1.01 -0.24 -0.37 120.40 124.50 3i12 s VAL 218 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3i12 s VAL 218 Cb -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 3i12 s VAL 218 CO -0.00 0.28 0.13 -0.69 0.00 0.00 0.00 175.10 174.82 3i12 s VAL 219 N 0.39 5.40 -0.24 2.92 1.01 0.24 -0.15 120.40 129.97 3i12 s VAL 219 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 3i12 s VAL 219 Cb -0.11 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3i12 s VAL 219 CO 0.01 0.46 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 3i12 s VAL 220 N 0.24 2.65 0.14 2.92 1.01 -0.13 -0.40 120.40 126.84 3i12 s VAL 220 Ca 0.08 -1.14 0.11 0.00 0.00 0.00 0.00 61.98 61.03 3i12 s VAL 220 Cb -0.11 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3i12 s VAL 220 CO -0.01 0.18 -0.26 -1.61 0.00 0.00 0.00 175.10 173.40 3i12 s GLU 221 N 1.28 1.41 0.22 2.72 2.02 0.11 -1.18 118.70 125.28 3i12 s GLU 221 Ca -0.01 -1.38 -0.31 0.00 0.02 0.00 0.00 54.97 53.29 3i12 s GLU 221 Cb -0.17 -1.85 -0.10 0.00 0.10 0.00 0.00 34.13 32.11 3i12 s GLU 221 CO -0.05 0.43 1.53 -1.14 0.02 0.00 0.00 175.26 176.04 3i12 s GLN 222 N -2.21 4.21 0.21 1.61 0.74 -0.44 -0.56 119.66 123.21 3i12 s GLN 222 Ca 0.15 2.39 -0.30 0.00 0.05 0.00 0.00 55.36 57.64 3i12 s GLN 222 Cb -0.09 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.81 3i12 s GLN 222 CO 0.07 -0.55 1.44 0.20 -0.55 0.00 0.00 175.29 175.90 3i12 s GLY 223 N 0.75 2.15 -0.07 2.59 0.00 -0.67 -4.76 107.32 107.31 3i12 s GLY 223 Ca 0.65 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.66 3i12 s GLY 223 CO 0.38 2.33 -0.04 -0.42 0.00 0.00 0.00 173.10 175.35 3i12 s ILE 224 N 0.36 3.91 -0.16 0.90 -1.09 -1.26 -4.87 121.20 118.99 3i12 s ILE 224 Ca 0.62 -0.42 -0.06 0.00 -2.23 0.00 0.00 60.65 58.55 3i12 s ILE 224 Cb -0.41 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 3i12 s ILE 224 CO 0.39 0.58 0.05 -1.59 -1.23 0.00 0.00 174.94 173.14 3i12 s LYS 225 N -0.89 3.71 0.00 2.79 0.00 -1.26 -5.04 119.74 119.05 3i12 s LYS 225 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 55.97 55.75 3i12 s LYS 225 Cb -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 37.83 34.62 3i12 s LYS 225 CO 0.02 0.40 0.00 0.41 0.00 0.00 0.00 175.35 176.18 3i12 n GLY 226 N 3.13 -2.41 3.89 0.59 0.00 -1.26 -4.22 105.19 104.91 3i12 n GLY 226 Ca -0.17 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.94 3.50 -0.27 1.61 0.52 0.31 -4.75 118.95 117.93 3i12 s ARG 227 Ca 0.00 0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.56 3i12 s ARG 227 Cb 0.00 -2.25 0.02 0.00 0.52 0.00 0.00 34.95 33.24 3i12 s ARG 227 CO 0.00 -0.40 0.00 -2.00 0.02 0.00 0.00 175.30 172.93 3i12 s GLU 228 N -4.93 2.92 0.04 3.54 2.12 -1.25 -0.68 118.70 120.45 3i12 s GLU 228 Ca 0.51 -0.95 0.09 0.00 0.36 0.00 0.00 54.97 54.98 3i12 s GLU 228 Cb -0.11 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3i12 s GLU 228 CO 0.48 -0.43 -0.25 0.42 -0.54 0.00 0.00 175.26 174.94 3i12 s ILE 229 N 1.39 2.05 0.13 -3.70 -1.09 -0.57 -1.56 121.20 117.86 3i12 s ILE 229 Ca 0.01 -1.34 0.05 0.00 -2.23 0.00 0.00 60.65 57.14 3i12 s ILE 229 Cb -0.17 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 3i12 s ILE 229 CO -0.01 0.35 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.31 3i12 s GLU 230 N -1.19 1.03 -0.11 2.79 2.02 0.29 -0.69 118.70 122.84 3i12 s GLU 230 Ca 0.11 -1.30 -0.05 0.00 0.02 0.00 0.00 54.97 53.75 3i12 s GLU 230 Cb -0.10 -0.81 0.05 0.00 0.10 0.00 0.00 34.13 33.37 3i12 s GLU 230 CO 0.02 0.14 0.25 0.00 0.02 0.00 0.00 175.26 175.69 3i12 s ALA 232 N 1.38 3.58 -0.12 0.00 0.00 -1.26 -0.96 121.76 124.39 3i12 s ALA 232 Ca -0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 3i12 s ALA 232 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3i12 s ALA 232 CO -0.09 -0.68 0.08 0.08 0.00 0.00 0.00 175.76 175.15 3i12 s VAL 233 N 2.21 5.02 -0.03 0.00 1.01 0.12 -0.40 120.40 128.33 3i12 s VAL 233 Ca 0.26 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3i12 s VAL 233 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3i12 s VAL 233 CO 0.09 0.59 -0.10 -0.22 0.00 0.00 0.00 175.10 175.46 3i12 s LEU 234 N -0.74 1.76 0.00 3.92 2.96 -0.35 -1.60 118.68 124.63 3i12 s LEU 234 Ca 0.13 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3i12 s LEU 234 Cb -0.12 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 45.98 3i12 s LEU 234 CO 0.03 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 3i12 n GLY 235 N 3.36 1.35 0.00 7.98 0.00 -0.07 -1.22 105.19 116.59 3i12 n GLY 235 Ca -0.19 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 0.13 1.61 5.03 -1.26 -1.09 115.26 119.68 3i12 n ASN 236 Ca 0.00 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.55 3i12 n ASN 236 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.80 3i12 n ASN 236 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3i12 h ASP 237 N 0.00 0.00 -2.31 6.41 3.32 -1.97 -3.38 116.42 118.50 3i12 h ASP 237 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 3i12 h ASP 237 Cb 0.00 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.13 3i12 h ASP 237 CO 0.00 0.11 -0.64 -3.20 -1.72 0.00 0.00 179.24 173.79 3i12 n ASN 238 N -2.86 3.27 -4.74 6.45 5.15 -1.26 -5.08 115.26 116.19 3i12 n ASN 238 Ca 0.00 -3.33 -0.41 0.00 -0.60 0.00 0.00 54.58 50.24 3i12 n ASN 238 Cb 0.59 -0.68 -0.02 0.00 -0.53 0.00 0.00 39.78 39.14 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 -2.18 4.19 0.03 1.20 0.04 -1.26 -4.78 135.00 132.24 3i12 s PRO 239 Ca 0.37 2.44 0.04 0.00 0.04 0.00 0.00 61.00 63.89 3i12 s PRO 239 Cb 0.12 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 3i12 s PRO 239 CO -0.05 -0.54 -0.07 -0.65 0.04 0.00 0.00 177.00 175.74 3i12 s GLN 240 N -0.26 2.47 -0.19 4.56 -1.52 -0.36 -4.94 119.66 119.42 3i12 s GLN 240 Ca 0.62 -0.80 -0.06 0.00 -1.95 0.00 0.00 55.36 53.18 3i12 s GLN 240 Cb -0.45 -2.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.85 3i12 s GLN 240 CO 0.44 0.58 0.02 0.00 -0.25 0.00 0.00 175.29 176.07 3i12 s ALA 241 N -1.07 3.15 1.28 6.09 0.00 -1.26 -1.21 121.76 128.75 3i12 s ALA 241 Ca 0.19 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 3i12 s ALA 241 Cb -0.11 -1.79 0.32 0.00 0.00 0.00 0.00 23.12 21.54 3i12 s ALA 241 CO 0.10 0.02 1.01 -1.54 0.00 0.00 0.00 175.76 175.35 3i12 s SER 242 N 0.68 0.12 0.79 0.00 1.04 0.47 -5.00 113.70 111.80 3i12 s SER 242 Ca 0.01 0.94 -0.12 0.00 0.48 0.00 0.00 55.95 57.25 3i12 s SER 242 Cb -0.14 -1.37 0.07 0.00 0.10 0.00 0.00 66.02 64.68 3i12 s SER 242 CO 0.02 -4.65 1.15 0.28 0.98 0.00 0.00 173.24 171.02 3i12 s THR 243 N -2.57 2.57 0.52 2.02 -1.32 -1.26 -4.71 115.64 110.89 3i12 s THR 243 Ca 0.69 0.23 -0.07 0.00 -1.21 0.00 0.00 61.69 61.33 3i12 s THR 243 Cb -0.15 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.21 3i12 s THR 243 CO 0.59 -0.20 0.85 0.00 -2.21 0.00 0.00 174.62 173.65 3i12 s GLY 245 N -4.13 0.95 -0.07 0.00 0.00 -0.30 -1.00 107.32 102.78 3i12 s GLY 245 Ca 0.50 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.81 3i12 s GLY 245 CO 0.47 -1.51 -0.08 1.85 0.00 0.00 0.00 173.10 173.83 3i12 s GLU 246 N -3.65 2.75 0.02 2.90 2.12 0.48 -0.55 118.70 122.77 3i12 s GLU 246 Ca 0.14 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 54.97 3i12 s GLU 246 Cb 0.03 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 3i12 s GLU 246 CO -0.01 0.63 -0.23 -1.50 -0.54 0.00 0.00 175.26 173.61 3i12 s ILE 247 N -0.73 1.87 -0.22 -3.70 -1.16 -0.60 -0.88 121.20 115.76 3i12 s ILE 247 Ca 0.11 -1.15 0.02 0.00 -0.51 0.00 0.00 60.65 59.12 3i12 s ILE 247 Cb -0.11 -1.58 0.05 0.00 0.61 0.00 0.00 42.46 41.43 3i12 s ILE 247 CO 0.01 0.39 -0.12 -0.69 -2.81 0.00 0.00 174.94 171.73 3i12 s VAL 248 N -0.68 1.93 -0.25 4.00 1.01 -0.39 -3.97 120.40 122.05 3i12 s VAL 248 Ca 0.09 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 3i12 s VAL 248 Cb -0.09 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.33 3i12 s VAL 248 CO 0.01 0.13 -0.07 -0.76 0.00 0.00 0.00 175.10 174.40 3i12 s LEU 249 N 1.25 3.17 0.42 3.92 1.43 -1.26 -3.32 118.68 124.29 3i12 s LEU 249 Ca -0.04 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.14 3i12 s LEU 249 Cb -0.17 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3i12 s LEU 249 CO -0.08 -0.13 0.67 0.54 0.23 0.00 0.00 176.35 177.59 3i12 s ASN 250 N 1.31 6.22 0.00 2.29 2.20 -1.26 -5.00 114.94 120.70 3i12 s ASN 250 Ca -0.00 0.65 0.23 0.00 -0.94 0.00 0.00 52.86 52.79 3i12 s ASN 250 Cb -0.17 -2.07 1.35 0.00 -2.00 0.00 0.00 41.25 38.37 3i12 s ASN 250 CO -0.05 -0.48 1.78 -1.54 -2.94 0.00 0.00 177.10 173.87 3i12 n SER 251 N -2.04 0.00 0.07 3.54 3.41 -1.26 -4.30 113.62 113.04 3i12 n SER 251 Ca -0.02 -0.97 0.12 0.00 -0.26 0.00 0.00 58.87 57.74 3i12 n SER 251 Cb 0.56 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.97 3i12 n SER 251 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i12 n GLU 252 N -0.92 0.14 0.00 4.33 1.02 -1.26 -5.23 120.64 118.72 3i12 n GLU 252 Ca 0.17 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3i12 n GLU 252 Cb 0.08 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3i12 n GLU 252 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i12 n PHE 253 N -1.97 0.00 0.00 -0.32 3.72 -1.26 -5.34 117.46 112.29 3i12 n PHE 253 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3i12 n PHE 253 Cb 0.31 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 260 N 0.00 0.00 -4.64 1.38 -0.00 -1.26 -5.21 117.16 107.42 3i12 n TYR 260 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.63 3i12 n TYR 260 Cb 0.00 -0.47 -0.17 0.00 -0.00 0.00 0.00 39.34 38.70 3i12 n TYR 260 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 3i12 s ILE 261 N 0.00 1.39 0.19 -3.48 1.10 -1.26 -4.35 121.20 114.79 3i12 s ILE 261 Ca 0.00 -0.61 -0.33 0.00 -0.51 0.00 0.00 60.65 59.20 3i12 s ILE 261 Cb 0.00 -1.26 -0.14 0.00 0.15 0.00 0.00 42.46 41.22 3i12 s ILE 261 CO 0.00 0.41 1.55 -0.67 -2.11 0.00 0.00 174.94 174.12 3i12 n ASP 262 N 3.90 3.10 0.00 4.50 2.03 -1.26 -1.57 116.55 127.24 3i12 n ASP 262 Ca -0.21 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.20 3i12 n ASP 262 Cb 0.52 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 3i12 n ASP 262 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3i12 n ASP 263 N 3.11 -4.10 0.00 1.67 8.00 -1.26 -4.23 116.55 119.75 3i12 n ASP 263 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 3i12 n ASP 263 Cb 0.30 -2.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.89 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 -0.58 -2.01 -4.45 -2.24 4.13 -0.61 0.29 115.26 109.80 3i12 n ASN 264 Ca 0.00 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.82 3i12 n ASN 264 Cb 0.29 -0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.16 3i12 n ASN 264 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3i12 s GLY 265 N -2.42 1.66 1.04 7.41 0.00 -1.26 -5.02 107.32 108.73 3i12 s GLY 265 Ca 0.00 -2.31 -0.19 0.00 0.00 0.00 0.00 44.72 42.22 3i12 s GLY 265 CO 0.00 2.01 -0.31 0.00 0.00 0.00 0.00 173.10 174.80 3i12 n ALA 266 N 7.08 -4.29 -2.38 3.20 0.00 0.15 -4.93 120.51 119.34 3i12 n ALA 266 Ca 0.09 -1.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 3i12 n ALA 266 Cb 0.47 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.03 4.41 -0.05 0.00 0.74 -1.21 -4.91 119.66 115.61 3i12 s GLN 267 Ca 0.50 1.82 0.03 0.00 0.05 0.00 0.00 55.36 57.76 3i12 s GLN 267 Cb -0.10 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.68 3i12 s GLN 267 CO 0.69 -0.30 -0.13 0.08 -0.55 0.00 0.00 175.29 175.08 3i12 s VAL 268 N 1.12 1.15 -0.06 1.34 1.01 -1.26 -1.26 120.40 122.43 3i12 s VAL 268 Ca 0.60 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3i12 s VAL 268 Cb -0.31 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3i12 s VAL 268 CO 0.29 0.35 -0.03 -0.69 0.00 0.00 0.00 175.10 175.02 3i12 s VAL 269 N 0.41 0.54 -0.06 2.92 1.01 -0.06 -4.99 120.40 120.17 3i12 s VAL 269 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3i12 s VAL 269 Cb -0.13 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.67 3i12 s VAL 269 CO 0.03 0.25 -0.04 -0.69 0.00 0.00 0.00 175.10 174.65 3i12 s VAL 270 N 1.30 0.56 0.73 2.92 1.01 -1.26 -0.39 120.40 125.28 3i12 s VAL 270 Ca -0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3i12 s VAL 270 Cb -0.14 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.65 3i12 s VAL 270 CO -0.02 0.26 1.08 -2.16 0.00 0.00 0.00 175.10 174.25 3i12 s PRO 271 N 1.34 2.61 0.20 2.72 0.04 -1.26 -5.04 135.00 135.60 3i12 s PRO 271 Ca -0.04 1.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.73 3i12 s PRO 271 Cb -0.13 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 3i12 s PRO 271 CO -0.02 -1.36 1.56 0.00 0.04 0.00 0.00 177.00 177.21 3i12 n ALA 272 N -3.31 1.62 -1.95 8.56 0.00 -0.17 -4.78 120.51 120.49 3i12 n ALA 272 Ca 0.08 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 3i12 n ALA 272 Cb 0.53 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 3.05 2.94 -4.23 0.00 1.13 -1.26 -4.86 117.38 114.14 3i12 n GLN 273 Ca 0.15 -2.78 -0.13 0.00 -1.94 0.00 0.00 57.00 52.30 3i12 n GLN 273 Cb 0.31 -3.34 -0.10 0.00 0.11 0.00 0.00 30.24 27.22 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 3.45 0.81 0.68 5.09 -4.36 -1.26 -5.14 121.20 120.47 3i12 s ILE 274 Ca 0.49 -1.99 -0.15 0.00 -0.26 0.00 0.00 60.65 58.74 3i12 s ILE 274 Cb 0.11 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.88 3i12 s ILE 274 CO -0.05 -0.63 1.15 -2.84 0.24 0.00 0.00 174.94 172.82 3i12 s PRO 275 N -3.85 2.53 0.44 0.37 0.02 -1.26 -4.80 135.00 128.45 3i12 s PRO 275 Ca 0.19 1.57 0.23 0.00 0.02 0.00 0.00 61.00 63.01 3i12 s PRO 275 Cb 0.05 -1.90 0.96 0.00 0.02 0.00 0.00 34.50 33.63 3i12 s PRO 275 CO 0.01 -1.49 1.85 0.66 -0.33 0.00 0.00 177.00 177.70 3i12 h SER 276 N -0.05 0.00 1.06 2.53 4.64 -1.99 -1.18 113.55 118.56 3i12 h SER 276 Ca -0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 3i12 h SER 276 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3i12 h SER 276 CO 0.52 0.24 -0.50 1.05 -0.87 0.00 0.00 176.83 177.27 3i12 h GLU 277 N 0.00 0.00 0.01 4.77 9.09 -1.99 -1.85 114.58 124.60 3i12 h GLU 277 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.24 3i12 h GLU 277 Cb 0.71 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.82 3i12 h GLU 277 CO 0.03 0.50 -0.66 0.28 0.05 0.00 0.00 179.01 179.21 3i12 h VAL 278 N 0.00 1.42 -0.64 -1.06 2.07 -1.67 -2.54 116.25 113.84 3i12 h VAL 278 Ca -0.01 -2.12 0.13 0.00 0.82 0.00 0.00 66.70 65.52 3i12 h VAL 278 Cb 1.17 2.61 -0.10 0.00 -1.52 0.00 0.00 31.29 33.45 3i12 h VAL 278 CO 0.07 0.62 0.04 -1.13 0.02 0.00 0.00 177.57 177.18 3i12 h ASN 279 N -0.07 -0.22 0.19 0.57 -0.00 -1.18 -0.87 115.58 114.00 3i12 h ASN 279 Ca -0.08 0.15 -0.18 0.00 -0.00 0.00 0.00 56.30 56.18 3i12 h ASN 279 Cb 1.37 0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 39.94 3i12 h ASN 279 CO 0.13 -0.10 -0.70 0.44 -0.00 0.00 0.00 177.43 177.20 3i12 h ASP 280 N 0.15 0.54 -0.79 1.15 3.32 -1.35 0.07 116.42 119.51 3i12 h ASP 280 Ca 0.34 -0.34 0.08 0.00 0.02 0.00 0.00 57.03 57.12 3i12 h ASP 280 Cb 0.55 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3i12 h ASP 280 CO -0.52 1.08 0.46 0.50 -1.72 0.00 0.00 179.24 179.03 3i12 h LYS 281 N 0.32 0.78 -0.22 3.56 3.64 -1.00 -1.51 116.57 122.14 3i12 h LYS 281 Ca -0.03 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.11 3i12 h LYS 281 Cb 1.27 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3i12 h LYS 281 CO 0.12 0.52 -0.62 0.82 -2.27 0.00 0.00 179.45 178.02 3i12 h ILE 282 N 0.81 1.28 -0.42 2.00 2.04 -0.64 -2.37 117.51 120.21 3i12 h ILE 282 Ca 0.36 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.43 3i12 h ILE 282 Cb 0.26 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3i12 h ILE 282 CO -0.21 0.58 0.24 0.03 0.00 0.00 0.00 178.15 178.79 3i12 h ARG 283 N 0.57 0.47 -0.87 2.37 3.08 -0.71 0.26 114.38 119.54 3i12 h ARG 283 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3i12 h ARG 283 Cb 1.24 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 3i12 h ARG 283 CO 0.13 0.31 0.49 0.00 -1.07 0.00 0.00 179.97 179.83 3i12 h ALA 284 N 1.19 1.23 -0.56 0.04 0.00 -1.25 -1.85 119.26 118.07 3i12 h ALA 284 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3i12 h ALA 284 Cb 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3i12 h ALA 284 CO -0.09 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.54 3i12 h ILE 285 N 1.21 1.27 -0.60 0.00 2.04 -0.76 -2.33 117.51 118.33 3i12 h ILE 285 Ca 0.31 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 65.03 3i12 h ILE 285 Cb 0.01 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 3i12 h ILE 285 CO -0.05 0.44 0.25 0.00 0.00 0.00 0.00 178.15 178.79 3i12 h ALA 286 N 0.98 0.78 -0.60 1.87 0.00 -0.12 -0.19 119.26 122.00 3i12 h ALA 286 Ca 0.15 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3i12 h ALA 286 Cb 0.63 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3i12 h ALA 286 CO 0.04 -0.15 0.18 0.82 0.00 0.00 0.00 179.25 180.15 3i12 h ILE 287 N 0.46 1.24 -0.70 0.00 2.04 -1.13 -1.49 117.51 117.93 3i12 h ILE 287 Ca 0.29 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3i12 h ILE 287 Cb 0.32 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3i12 h ILE 287 CO -0.27 0.31 0.39 1.56 0.00 0.00 0.00 178.15 180.14 3i12 h GLN 288 N 0.85 0.98 -0.71 2.37 4.20 -0.70 -1.68 115.11 120.41 3i12 h GLN 288 Ca 0.19 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3i12 h GLN 288 Cb 0.29 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 3i12 h GLN 288 CO -0.01 0.73 0.44 0.00 -0.67 0.00 0.00 178.83 179.32 3i12 h ALA 289 N 1.19 0.93 -0.69 3.87 0.00 -0.84 -0.80 119.26 122.94 3i12 h ALA 289 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3i12 h ALA 289 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i12 h ALA 289 CO -0.04 0.20 0.32 -0.92 0.00 0.00 0.00 179.25 178.81 3i12 h TYR 290 N 0.85 1.00 -0.09 0.00 3.20 -0.66 -1.23 116.97 120.04 3i12 h TYR 290 Ca 0.29 -0.05 -0.23 0.00 3.14 0.00 0.00 58.73 61.88 3i12 h TYR 290 Cb 0.05 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.02 3i12 h TYR 290 CO -0.04 0.75 -0.83 1.96 -1.64 0.00 0.00 178.16 178.35 3i12 h GLN 291 N 0.96 0.72 -0.44 1.82 4.20 -1.07 -2.00 115.11 119.30 3i12 h GLN 291 Ca 0.23 -0.66 -0.06 0.00 0.06 0.00 0.00 58.65 58.22 3i12 h GLN 291 Cb 0.14 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3i12 h GLN 291 CO -0.03 1.26 0.01 1.15 -0.67 0.00 0.00 178.83 180.55 3i12 h THR 292 N 0.42 1.23 -0.19 -0.54 2.02 -0.86 -2.06 112.91 112.93 3i12 h THR 292 Ca -0.08 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3i12 h THR 292 Cb 1.48 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3i12 h THR 292 CO 0.17 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.56 3i12 n LEU 293 N -4.24 1.75 -0.61 2.58 4.77 -0.49 -4.94 117.00 115.82 3i12 n LEU 293 Ca 0.02 -0.75 -0.08 0.00 -0.03 0.00 0.00 56.01 55.18 3i12 n LEU 293 Cb 0.28 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3i12 n LEU 293 CO 0.41 0.37 -0.07 0.61 -1.33 0.00 0.00 177.39 177.37 3i12 n GLY 294 N 1.14 0.94 3.73 -0.72 0.00 -0.77 -4.45 105.19 105.05 3i12 n GLY 294 Ca 0.16 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.64 0.01 0.00 0.00 0.00 -1.26 -4.91 121.76 112.96 3i12 s ALA 296 Ca 0.65 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3i12 s ALA 296 Cb -0.21 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3i12 s ALA 296 CO 0.54 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3i12 n GLY 297 N 1.11 2.26 3.37 0.00 0.00 -0.25 -2.21 105.19 109.47 3i12 n GLY 297 Ca -0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 1.16 -0.03 1.61 0.00 -1.26 -0.89 119.30 119.89 3i12 s MET 298 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 55.69 54.67 3i12 s MET 298 Cb 0.00 0.49 0.09 0.00 0.00 0.00 0.00 34.83 35.41 3i12 s MET 298 CO 0.00 -0.47 0.81 0.00 0.00 0.00 0.00 175.02 175.37 3i12 s ALA 299 N -3.82 -1.80 -0.23 3.16 0.00 -0.63 -4.67 121.76 113.78 3i12 s ALA 299 Ca 0.04 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 3i12 s ALA 299 Cb 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3i12 s ALA 299 CO -0.10 -0.52 0.09 0.50 0.00 0.00 0.00 175.76 175.73 3i12 s ARG 300 N -2.20 3.82 -0.18 0.00 3.52 -0.31 -0.70 118.95 122.90 3i12 s ARG 300 Ca -0.02 -0.40 -0.05 0.00 -0.13 0.00 0.00 55.73 55.13 3i12 s ARG 300 Cb -0.01 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3i12 s ARG 300 CO -0.02 -0.03 -0.00 0.08 -0.81 0.00 0.00 175.30 174.52 3i12 s VAL 301 N 1.20 4.10 -0.10 7.11 1.01 -0.13 -0.71 120.40 132.88 3i12 s VAL 301 Ca 0.05 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3i12 s VAL 301 Cb -0.14 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3i12 s VAL 301 CO 0.04 0.46 -0.19 -1.81 0.00 0.00 0.00 175.10 173.60 3i12 s ASP 302 N 0.57 3.51 0.17 3.32 1.01 0.27 -1.02 116.67 124.50 3i12 s ASP 302 Ca -0.01 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.84 3i12 s ASP 302 Cb -0.14 -1.35 -0.05 0.00 1.01 0.00 0.00 42.92 42.39 3i12 s ASP 302 CO 0.02 0.19 -0.02 0.68 0.21 0.00 0.00 175.17 176.25 3i12 s VAL 303 N 0.18 0.81 -0.13 -1.27 -7.23 0.14 -0.42 120.40 112.47 3i12 s VAL 303 Ca -0.11 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 3i12 s VAL 303 Cb -0.16 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3i12 s VAL 303 CO 0.06 -0.52 0.05 -0.36 -0.31 0.00 0.00 175.10 174.03 3i12 s PHE 304 N -3.57 3.28 -0.35 2.82 0.08 0.11 -1.51 117.98 118.84 3i12 s PHE 304 Ca 0.23 0.21 -0.02 0.00 0.12 0.00 0.00 56.93 57.46 3i12 s PHE 304 Cb 0.05 -1.93 0.08 0.00 -0.57 0.00 0.00 43.02 40.65 3i12 s PHE 304 CO 0.04 0.40 0.10 -1.17 -0.10 0.00 0.00 175.22 174.49 3i12 s LEU 305 N -0.44 4.56 0.91 -0.37 2.96 0.15 -0.37 118.68 126.08 3i12 s LEU 305 Ca 0.09 -1.63 -0.12 0.00 -0.22 0.00 0.00 54.13 52.25 3i12 s LEU 305 Cb -0.12 -1.77 0.14 0.00 0.50 0.00 0.00 46.19 44.94 3i12 s LEU 305 CO 0.02 -0.39 1.15 0.42 -1.32 0.00 0.00 176.35 176.22 3i12 s THR 306 N 1.20 1.99 0.61 3.68 -4.23 -0.22 -0.53 115.64 118.15 3i12 s THR 306 Ca 0.02 0.00 0.40 0.00 -1.18 0.00 0.00 61.69 60.93 3i12 s THR 306 Cb -0.21 -2.77 0.42 0.00 1.34 0.00 0.00 72.50 71.28 3i12 s THR 306 CO -0.02 0.00 2.32 0.00 -0.54 0.00 0.00 174.62 176.38 3i12 h ALA 307 N -1.49 1.14 -0.26 3.99 0.00 -1.89 -0.51 119.26 120.23 3i12 h ALA 307 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i12 h ALA 307 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i12 h ALA 307 CO 0.61 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 3i12 n ASP 308 N -3.28 2.00 -1.64 0.00 5.68 -1.26 -4.92 116.55 113.13 3i12 n ASP 308 Ca -0.03 -1.83 -0.18 0.00 -0.50 0.00 0.00 54.79 52.25 3i12 n ASP 308 Cb 0.09 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 3i12 n ASP 308 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3i12 n ASN 309 N 0.55 -5.26 -4.78 -1.12 3.02 -0.20 -5.01 115.26 102.46 3i12 n ASN 309 Ca 0.16 0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.64 3i12 n ASN 309 Cb 0.36 -4.37 -0.02 0.00 -0.61 0.00 0.00 39.78 35.14 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 -4.01 3.93 -0.17 3.52 0.41 -1.26 -4.86 118.70 116.26 3i12 s GLU 310 Ca 0.00 1.67 0.01 0.00 -0.41 0.00 0.00 54.97 56.24 3i12 s GLU 310 Cb 0.00 -2.47 0.02 0.00 -1.78 0.00 0.00 34.13 29.90 3i12 s GLU 310 CO 0.00 -0.38 -0.20 0.08 -0.49 0.00 0.00 175.26 174.27 3i12 s VAL 311 N -1.59 2.03 -0.16 2.63 1.01 -1.26 -1.05 120.40 122.02 3i12 s VAL 311 Ca 0.61 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3i12 s VAL 311 Cb -0.26 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3i12 s VAL 311 CO 0.32 0.54 -0.19 -0.69 0.00 0.00 0.00 175.10 175.08 3i12 s VAL 312 N 1.22 1.90 0.11 2.92 1.01 0.50 -4.61 120.40 123.45 3i12 s VAL 312 Ca 0.03 -0.86 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 3i12 s VAL 312 Cb -0.13 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 3i12 s VAL 312 CO -0.11 0.52 1.28 -0.63 0.00 0.00 0.00 175.10 176.16 3i12 s ILE 313 N 1.17 3.63 -0.12 2.22 -1.09 0.29 0.04 121.20 127.34 3i12 s ILE 313 Ca 0.01 1.21 -0.10 0.00 -2.23 0.00 0.00 60.65 59.54 3i12 s ILE 313 Cb -0.14 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 36.91 3i12 s ILE 313 CO -0.08 0.11 -0.22 -3.20 -1.23 0.00 0.00 174.94 170.32 3i12 n ASN 314 N 3.66 1.39 -3.68 3.58 5.15 0.43 -4.46 115.26 121.33 3i12 n ASN 314 Ca 0.09 0.23 -0.14 0.00 -0.60 0.00 0.00 54.58 54.16 3i12 n ASN 314 Cb 0.44 -0.54 -0.09 0.00 -0.53 0.00 0.00 39.78 39.07 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 -2.42 0.67 -0.21 1.20 -1.05 -0.76 -5.01 118.70 111.12 3i12 s GLU 315 Ca -0.21 0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 55.27 3i12 s GLU 315 Cb 0.06 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 34.05 3i12 s GLU 315 CO 0.28 -0.09 -0.00 0.42 0.95 0.00 0.00 175.26 176.82 3i12 s ILE 316 N 0.16 3.88 -0.23 1.83 -1.09 -1.26 -0.56 121.20 123.93 3i12 s ILE 316 Ca -0.01 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 58.03 3i12 s ILE 316 Cb -0.04 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 3i12 s ILE 316 CO 0.01 0.42 -0.02 0.20 -1.23 0.00 0.00 174.94 174.32 3i12 s ASN 317 N 1.14 4.47 0.35 3.58 0.01 0.11 -4.74 114.94 119.87 3i12 s ASN 317 Ca 0.03 -0.38 0.23 0.00 -0.71 0.00 0.00 52.86 52.03 3i12 s ASN 317 Cb -0.14 -1.77 0.37 0.00 0.41 0.00 0.00 41.25 40.11 3i12 s ASN 317 CO 0.01 -0.03 1.54 0.71 -1.51 0.00 0.00 177.10 177.82 3i12 h THR 318 N 5.69 0.00 -2.20 1.60 1.35 -1.86 -0.83 112.91 116.67 3i12 h THR 318 Ca -0.40 -0.89 -0.58 0.00 -0.55 0.00 0.00 66.41 63.99 3i12 h THR 318 Cb 1.16 1.80 -0.39 0.00 -1.73 0.00 0.00 68.15 68.99 3i12 h THR 318 CO 0.60 0.00 -0.97 0.18 -0.25 0.00 0.00 175.52 175.07 3i12 n LEU 319 N -2.85 0.61 -4.71 3.87 4.32 -1.26 -4.65 117.00 112.32 3i12 n LEU 319 Ca 0.04 -4.73 -0.30 0.00 -0.02 0.00 0.00 56.01 51.00 3i12 n LEU 319 Cb 0.51 0.36 0.13 0.00 -1.62 0.00 0.00 43.42 42.81 3i12 n LEU 319 CO 0.34 1.99 0.67 -2.16 -1.22 0.00 0.00 177.39 177.01 3i12 s PRO 320 N -1.01 1.43 0.26 3.23 0.04 -1.26 -4.69 135.00 133.01 3i12 s PRO 320 Ca 0.34 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 3i12 s PRO 320 Cb 0.12 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.71 3i12 s PRO 320 CO -0.13 -2.21 1.01 0.41 0.04 0.00 0.00 177.00 176.12 3i12 n GLY 321 N -0.73 -0.30 1.04 0.56 0.00 -1.26 -4.92 105.19 99.57 3i12 n GLY 321 Ca 0.09 0.36 0.04 0.00 0.00 0.00 0.00 46.02 46.50 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 0.43 0.00 -1.23 1.61 7.35 -1.26 -4.28 117.46 120.08 3i12 n PHE 322 Ca 0.11 -0.56 -0.29 0.00 -0.76 0.00 0.00 57.45 55.95 3i12 n PHE 322 Cb 0.30 -0.14 0.18 0.00 0.35 0.00 0.00 39.48 40.18 3i12 n PHE 322 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3i12 s THR 323 N -0.66 1.94 -0.89 -2.13 -4.23 -1.26 -4.61 115.64 103.80 3i12 s THR 323 Ca 0.26 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.86 3i12 s THR 323 Cb 0.29 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.66 3i12 s THR 323 CO -0.10 0.00 1.27 -0.46 -0.54 0.00 0.00 174.62 174.79 3i12 n ASN 324 N -4.22 0.09 0.00 3.99 6.94 -1.26 -1.36 115.26 119.44 3i12 n ASN 324 Ca 0.07 0.53 0.00 0.00 -0.02 0.00 0.00 54.58 55.16 3i12 n ASN 324 Cb 0.58 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3i12 n ASN 324 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3i12 n ILE 325 N -1.62 0.51 -2.06 1.53 -0.00 -1.26 -4.86 119.36 111.60 3i12 n ILE 325 Ca 0.01 -0.55 -0.30 0.00 -0.00 0.00 0.00 62.75 61.91 3i12 n ILE 325 Cb 0.08 0.81 0.01 0.00 -0.00 0.00 0.00 39.64 40.53 3i12 n ILE 325 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 3i12 s SER 326 N -0.51 6.25 0.14 4.38 0.01 -0.46 -4.90 113.70 118.61 3i12 s SER 326 Ca 0.00 1.32 -0.22 0.00 1.31 0.00 0.00 55.95 58.36 3i12 s SER 326 Cb 0.00 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 3i12 s SER 326 CO 0.00 -0.79 1.66 -0.03 0.41 0.00 0.00 173.24 174.48 3i12 h MET 327 N -0.15 -0.20 0.37 12.44 4.05 -1.89 -1.92 114.93 127.63 3i12 h MET 327 Ca -0.45 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 58.98 3i12 h MET 327 Cb 1.19 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 3i12 h MET 327 CO 0.62 -0.13 -0.42 -0.92 0.23 0.00 0.00 176.91 176.28 3i12 h TYR 328 N -0.21 -1.18 -0.81 1.39 3.20 -1.94 0.35 116.97 117.77 3i12 h TYR 328 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3i12 h TYR 328 Cb 0.36 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 3i12 h TYR 328 CO -0.30 -0.55 0.45 -1.00 -1.64 0.00 0.00 178.16 175.12 3i12 h PRO 329 N -0.80 1.13 -0.92 1.82 0.13 -1.81 -2.28 132.00 129.27 3i12 h PRO 329 Ca -0.05 -0.13 0.08 0.00 -0.87 0.00 0.00 66.00 65.04 3i12 h PRO 329 Cb 0.71 -0.22 -0.06 0.00 0.13 0.00 0.00 31.00 31.55 3i12 h PRO 329 CO -0.08 0.83 0.59 0.87 -0.23 0.00 0.00 178.00 179.98 3i12 h LYS 330 N 1.13 0.96 -0.65 0.86 1.79 -0.93 0.56 116.57 120.28 3i12 h LYS 330 Ca 0.29 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.64 3i12 h LYS 330 Cb 0.03 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.43 3i12 h LYS 330 CO -0.05 0.63 0.16 -0.07 -1.08 0.00 0.00 179.45 179.05 3i12 h LEU 331 N 0.99 0.97 -0.44 2.94 3.38 0.27 -1.95 115.31 121.47 3i12 h LEU 331 Ca 0.41 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 3i12 h LEU 331 Cb 0.31 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i12 h LEU 331 CO -0.17 0.93 -0.48 -0.50 0.09 0.00 0.00 178.44 178.32 3i12 h TRP 332 N 0.98 0.95 -0.56 1.13 4.06 -1.02 -2.51 115.95 118.98 3i12 h TRP 332 Ca 0.21 -0.31 0.02 0.00 2.06 0.00 0.00 58.89 60.86 3i12 h TRP 332 Cb 0.35 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 3i12 h TRP 332 CO 0.02 1.10 0.37 0.37 -3.56 0.00 0.00 178.44 176.74 3i12 h GLN 333 N 0.61 0.69 0.00 0.49 4.15 -0.48 0.45 115.11 121.02 3i12 h GLN 333 Ca 0.03 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3i12 h GLN 333 Cb 1.05 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.59 3i12 h GLN 333 CO 0.10 0.45 0.00 0.00 -1.93 0.00 0.00 178.83 177.46 3i12 n ALA 334 N -2.46 2.21 -1.11 3.38 0.00 -0.77 -2.66 120.51 119.10 3i12 n ALA 334 Ca 0.06 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.48 3i12 n ALA 334 Cb 0.09 -1.44 0.24 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.71 3.52 0.00 0.00 7.64 0.14 -4.91 113.62 118.30 3i12 n SER 335 Ca 0.06 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.72 3i12 n SER 335 Cb 0.34 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.69 0.74 3.09 0.23 0.00 -0.75 -4.98 105.19 102.82 3i12 n GLY 336 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 3.32 0.90 0.99 2.96 0.04 -4.99 118.68 121.90 3i12 s LEU 337 Ca 0.00 -1.27 -0.12 0.00 -0.22 0.00 0.00 54.13 52.53 3i12 s LEU 337 Cb 0.00 -1.56 0.13 0.00 0.50 0.00 0.00 46.19 45.26 3i12 s LEU 337 CO 0.00 -0.17 1.10 -0.83 -1.32 0.00 0.00 176.35 175.13 3i12 s GLY 338 N 1.15 1.60 0.13 7.98 0.00 -1.26 -2.25 107.32 114.67 3i12 s GLY 338 Ca -0.06 -0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.24 3i12 s GLY 338 CO -0.06 0.25 1.62 -1.82 0.00 0.00 0.00 173.10 173.10 3i12 h TYR 339 N -1.53 0.71 -0.33 1.90 3.20 -1.96 0.31 116.97 119.28 3i12 h TYR 339 Ca -0.50 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.25 3i12 h TYR 339 Cb 1.30 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3i12 h TYR 339 CO 0.37 0.68 0.09 1.15 -1.64 0.00 0.00 178.16 178.82 3i12 h THR 340 N 0.54 1.21 -0.04 1.81 2.02 -1.93 -1.27 112.91 115.25 3i12 h THR 340 Ca 0.13 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 3i12 h THR 340 Cb 0.34 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3i12 h THR 340 CO 0.00 0.24 -0.40 0.44 0.37 0.00 0.00 175.52 176.17 3i12 h ASP 341 N 0.38 0.09 -0.48 4.18 3.32 -1.85 -2.04 116.42 120.02 3i12 h ASP 341 Ca 0.11 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3i12 h ASP 341 Cb 0.27 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3i12 h ASP 341 CO -0.00 0.48 0.08 0.25 -1.72 0.00 0.00 179.24 178.33 3i12 h LEU 342 N 0.07 0.76 -0.30 1.55 5.85 0.14 -1.82 115.31 121.56 3i12 h LEU 342 Ca 0.01 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3i12 h LEU 342 Cb 0.74 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3i12 h LEU 342 CO 0.06 0.83 0.14 0.40 -0.34 0.00 0.00 178.44 179.52 3i12 h ILE 343 N 0.67 1.16 -0.77 4.05 2.04 -0.92 -1.05 117.51 122.69 3i12 h ILE 343 Ca 0.15 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.58 3i12 h ILE 343 Cb 0.39 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3i12 h ILE 343 CO 0.01 0.17 0.47 0.28 0.00 0.00 0.00 178.15 179.08 3i12 h SER 344 N 0.35 0.74 -0.28 1.72 0.02 -1.30 -2.17 113.55 112.63 3i12 h SER 344 Ca 0.10 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3i12 h SER 344 Cb 0.14 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3i12 h SER 344 CO -0.01 0.49 -0.10 -0.09 -1.14 0.00 0.00 176.83 175.98 3i12 h ARG 345 N 0.88 0.68 -0.84 3.45 9.65 -0.80 -1.10 114.38 126.30 3i12 h ARG 345 Ca 0.33 -0.21 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 3i12 h ARG 345 Cb 0.12 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 3i12 h ARG 345 CO -0.15 0.77 0.40 -0.07 2.80 0.00 0.00 179.97 183.71 3i12 h LEU 346 N 0.62 1.10 -0.27 3.80 3.38 -0.60 0.68 115.31 124.03 3i12 h LEU 346 Ca 0.11 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3i12 h LEU 346 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3i12 h LEU 346 CO 0.03 0.93 -0.15 0.40 0.09 0.00 0.00 178.44 179.74 3i12 h ILE 347 N 1.20 1.30 -0.91 1.22 2.04 -0.99 -1.88 117.51 119.48 3i12 h ILE 347 Ca 0.29 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3i12 h ILE 347 Cb 0.12 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3i12 h ILE 347 CO -0.04 0.40 0.55 -0.33 0.00 0.00 0.00 178.15 178.73 3i12 h GLU 348 N 0.31 1.24 -0.60 2.37 5.08 -0.90 -1.83 114.58 120.25 3i12 h GLU 348 Ca 0.06 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3i12 h GLU 348 Cb 0.67 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3i12 h GLU 348 CO 0.04 0.87 0.09 -0.07 -1.00 0.00 0.00 179.01 178.95 3i12 h LEU 349 N 1.26 0.92 -0.45 1.33 3.38 -0.65 -0.89 115.31 120.21 3i12 h LEU 349 Ca 0.33 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3i12 h LEU 349 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3i12 h LEU 349 CO -0.06 0.93 0.29 0.00 0.09 0.00 0.00 178.44 179.69 3i12 h ALA 350 N 1.18 0.57 -0.13 1.53 0.00 -0.83 -1.34 119.26 120.25 3i12 h ALA 350 Ca 0.19 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3i12 h ALA 350 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i12 h ALA 350 CO 0.01 0.01 -0.60 -0.07 0.00 0.00 0.00 179.25 178.61 3i12 h LEU 351 N 0.60 0.48 -0.31 0.00 3.38 -1.04 -1.64 115.31 116.78 3i12 h LEU 351 Ca 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3i12 h LEU 351 Cb -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3i12 h LEU 351 CO -0.04 0.96 0.17 -0.33 0.09 0.00 0.00 178.44 179.29 3i12 h GLU 352 N 0.31 0.44 -0.59 1.13 5.08 -1.03 -0.93 114.58 118.99 3i12 h GLU 352 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3i12 h GLU 352 Cb 1.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3i12 h GLU 352 CO 0.10 0.38 0.08 -0.09 -1.00 0.00 0.00 179.01 178.49 3i12 h ARG 353 N 0.38 0.99 -0.64 2.33 2.43 -1.16 -1.13 114.38 117.58 3i12 h ARG 353 Ca 0.11 -0.27 0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3i12 h ARG 353 Cb 0.08 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3i12 h ARG 353 CO -0.02 0.94 0.37 1.25 -1.51 0.00 0.00 179.97 181.00 3i12 h HIS 354 N 0.89 0.68 -0.85 2.20 2.76 -1.17 -0.55 115.15 119.11 3i12 h HIS 354 Ca 0.18 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3i12 h HIS 354 Cb 0.44 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 3i12 h HIS 354 CO 0.03 0.35 0.52 1.15 -1.30 0.00 0.00 177.93 178.68 3i12 h THR 355 N 0.70 1.24 -0.46 6.26 2.02 -0.70 0.09 112.91 122.06 3i12 h THR 355 Ca 0.28 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 3i12 h THR 355 Cb 0.13 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3i12 h THR 355 CO -0.16 0.25 -0.14 0.00 0.37 0.00 0.00 175.52 175.84 3i12 h ALA 356 N 1.28 0.64 -0.30 6.16 0.00 -0.61 -2.14 119.26 124.28 3i12 h ALA 356 Ca 0.31 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3i12 h ALA 356 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3i12 h ALA 356 CO -0.06 0.56 -0.09 -0.91 0.00 0.00 0.00 179.25 178.75 3i12 h ASN 357 N 0.75 0.60 0.22 0.00 2.35 -0.78 -3.06 115.58 115.65 3i12 h ASN 357 Ca 0.11 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 3i12 h ASN 357 Cb 0.70 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3i12 h ASN 357 CO 0.05 0.84 -0.18 0.78 -1.65 0.00 0.00 177.43 177.27 3i12 h ASN 358 N 0.35 0.00 0.71 5.81 4.21 -0.85 -2.39 115.58 123.42 3i12 h ASN 358 Ca 0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 3i12 h ASN 358 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 3i12 h ASN 358 CO 0.03 0.18 0.00 0.00 -1.29 0.00 0.00 177.43 176.36 3i12 h ALA 359 N 1.82 1.00 -2.78 -0.83 0.00 -1.28 -3.45 119.26 113.73 3i12 h ALA 359 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3i12 h ALA 359 Cb 0.34 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.21 3i12 h ALA 359 CO 0.02 0.00 0.53 -0.51 0.00 0.00 0.00 179.25 179.29 3i12 s LEU 360 N -5.83 4.06 0.63 0.00 1.43 -0.90 -5.02 118.68 113.04 3i12 s LEU 360 Ca 0.00 2.45 -0.14 0.00 -1.03 0.00 0.00 54.13 55.41 3i12 s LEU 360 Cb 0.10 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.15 3i12 s LEU 360 CO 0.47 -0.96 1.06 -0.54 0.23 0.00 0.00 176.35 176.62 3i12 s LYS 361 N -2.57 3.16 0.18 1.70 1.02 -1.26 -4.99 119.74 116.98 3i12 s LYS 361 Ca 0.62 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.78 3i12 s LYS 361 Cb -0.33 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 3i12 s LYS 361 CO 0.40 -0.93 0.00 0.25 -0.92 0.00 0.00 175.35 174.15 3i12 n THR 362 N -2.34 0.52 -0.64 2.17 -2.24 -1.26 -5.19 114.28 105.30 3i12 n THR 362 Ca 0.09 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 3i12 n THR 362 Cb 0.53 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 3i12 n THR 362 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85