#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i12 s LYS 3 N 0.00 3.85 0.03 0.00 1.02 -1.26 -4.99 119.74 118.39 3i12 s LYS 3 Ca 0.00 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 3i12 s LYS 3 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3i12 s LYS 3 CO 0.00 -0.41 1.11 -0.51 -0.92 0.00 0.00 175.35 174.62 3i12 s LEU 4 N -3.18 4.36 -0.50 3.17 1.43 -1.11 -4.74 118.68 118.12 3i12 s LEU 4 Ca 0.64 1.86 -0.27 0.00 -1.03 0.00 0.00 54.13 55.33 3i12 s LEU 4 Cb -0.21 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.47 3i12 s LEU 4 CO 0.26 -0.40 1.08 -0.13 0.23 0.00 0.00 176.35 177.38 3i12 s ARG 5 N 1.13 3.60 -0.33 1.70 0.52 -1.26 -1.12 118.95 123.20 3i12 s ARG 5 Ca 0.56 0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 55.93 3i12 s ARG 5 Cb -0.26 -3.94 -0.01 0.00 0.52 0.00 0.00 34.95 31.25 3i12 s ARG 5 CO 0.28 -1.40 0.44 0.08 0.02 0.00 0.00 175.30 174.72 3i12 s VAL 6 N 4.32 5.10 -0.44 3.52 1.01 0.67 -0.96 120.40 133.62 3i12 s VAL 6 Ca 0.43 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.52 3i12 s VAL 6 Cb -0.08 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3i12 s VAL 6 CO 0.28 -0.08 0.76 -0.83 0.00 0.00 0.00 175.10 175.22 3i12 s GLY 7 N 1.71 1.62 -0.26 4.51 0.00 0.11 -0.47 107.32 114.54 3i12 s GLY 7 Ca 0.16 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 3i12 s GLY 7 CO 0.12 1.73 0.95 -0.42 0.00 0.00 0.00 173.10 175.48 3i12 s ILE 8 N 3.19 4.72 -0.31 0.90 -1.09 -0.10 -0.72 121.20 127.79 3i12 s ILE 8 Ca 0.28 1.75 -0.09 0.00 -2.23 0.00 0.00 60.65 60.36 3i12 s ILE 8 Cb -0.13 -4.25 -0.00 0.00 -1.58 0.00 0.00 42.46 36.51 3i12 s ILE 8 CO 0.22 -0.20 0.14 -0.69 -1.23 0.00 0.00 174.94 173.18 3i12 s VAL 9 N 3.13 4.46 0.10 2.92 1.01 -0.60 -0.77 120.40 130.65 3i12 s VAL 9 Ca 0.40 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 3i12 s VAL 9 Cb -0.15 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3i12 s VAL 9 CO 0.09 0.05 0.19 0.72 0.00 0.00 0.00 175.10 176.14 3i12 s PHE 10 N 1.59 0.27 0.00 5.22 -0.12 -0.94 -0.99 117.98 123.00 3i12 s PHE 10 Ca 0.04 -0.69 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 3i12 s PHE 10 Cb -0.17 -0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.11 3i12 s PHE 10 CO 0.05 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 175.07 3i12 n GLY 11 N -0.08 1.24 0.00 1.99 0.00 -1.26 -0.12 105.19 106.96 3i12 n GLY 11 Ca -0.13 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.63 3.44 -0.02 0.00 0.79 -4.55 105.19 105.47 3i12 n GLY 12 Ca 0.00 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.69 3i12 n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i12 s LYS 13 N -2.03 3.63 0.03 1.61 2.20 -1.20 -4.08 119.74 119.90 3i12 s LYS 13 Ca 0.00 -1.90 -0.28 0.00 -0.36 0.00 0.00 55.97 53.43 3i12 s LYS 13 Cb 0.00 -4.87 0.10 0.00 -1.51 0.00 0.00 37.83 31.55 3i12 s LYS 13 CO 0.00 -1.71 1.22 -1.54 -0.36 0.00 0.00 175.35 172.95 3i12 s SER 14 N 3.40 -0.04 0.34 1.43 1.04 -1.26 -4.60 113.70 114.00 3i12 s SER 14 Ca 0.32 -0.26 0.26 0.00 0.48 0.00 0.00 55.95 56.75 3i12 s SER 14 Cb -0.05 0.24 0.87 0.00 0.10 0.00 0.00 66.02 67.18 3i12 s SER 14 CO -0.09 -0.46 1.76 0.00 0.98 0.00 0.00 173.24 175.43 3i12 h ALA 15 N 2.00 1.00 0.00 5.32 0.00 -1.94 -2.21 119.26 123.44 3i12 h ALA 15 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i12 h ALA 15 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i12 h ALA 15 CO 0.30 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.94 3i12 n GLU 16 N -2.59 0.48 0.01 0.00 4.71 -1.26 -4.49 120.64 117.51 3i12 n GLU 16 Ca 0.03 0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 57.11 3i12 n GLU 16 Cb 0.37 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.27 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 0.00 -0.48 0.00 -0.32 2.76 -1.63 0.96 115.15 116.44 3i12 h HIS 17 Ca 0.00 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 3i12 h HIS 17 Cb 0.03 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3i12 h HIS 17 CO 0.00 -0.26 -0.21 0.93 -1.30 0.00 0.00 177.93 177.09 3i12 h GLU 18 N -0.25 0.00 -0.11 5.26 3.07 -1.85 -2.67 114.58 118.03 3i12 h GLU 18 Ca 0.09 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3i12 h GLU 18 Cb 0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3i12 h GLU 18 CO -0.25 0.21 -0.07 0.28 -1.40 0.00 0.00 179.01 177.78 3i12 h VAL 19 N 0.00 1.33 -0.92 3.13 2.07 0.61 -2.11 116.25 120.36 3i12 h VAL 19 Ca -0.00 -1.14 0.22 0.00 0.82 0.00 0.00 66.70 66.61 3i12 h VAL 19 Cb 0.58 1.84 -0.12 0.00 -1.52 0.00 0.00 31.29 32.07 3i12 h VAL 19 CO 0.03 0.33 0.45 -1.28 0.02 0.00 0.00 177.57 177.11 3i12 h SER 20 N -0.12 0.42 -0.64 0.57 0.87 -1.05 -0.92 113.55 112.70 3i12 h SER 20 Ca 0.02 0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 3i12 h SER 20 Cb 0.55 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 3i12 h SER 20 CO 0.02 0.03 0.10 -0.07 -0.53 0.00 0.00 176.83 176.38 3i12 h LEU 21 N 0.45 1.01 0.13 2.23 3.38 -1.11 -0.51 115.31 120.90 3i12 h LEU 21 Ca 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3i12 h LEU 21 Cb 1.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3i12 h LEU 21 CO -0.51 1.02 -0.06 1.56 0.09 0.00 0.00 178.44 180.54 3i12 h GLN 22 N 0.97 -0.17 -0.67 1.13 4.20 -0.58 -1.60 115.11 118.38 3i12 h GLN 22 Ca 0.19 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.05 3i12 h GLN 22 Cb 0.44 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 28.13 3i12 h GLN 22 CO 0.01 0.03 -0.18 0.77 -0.67 0.00 0.00 178.83 178.80 3i12 h SER 23 N -0.35 -0.65 0.07 1.46 0.02 -1.07 -0.01 113.55 113.01 3i12 h SER 23 Ca -0.02 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3i12 h SER 23 Cb 0.28 0.43 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 3i12 h SER 23 CO 0.03 -0.23 -0.19 0.00 -1.14 0.00 0.00 176.83 175.30 3i12 h ALA 24 N 1.63 -0.29 -0.87 3.77 0.00 -0.85 0.29 119.26 122.94 3i12 h ALA 24 Ca 0.32 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3i12 h ALA 24 Cb 0.49 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 3i12 h ALA 24 CO -0.69 -0.71 0.56 -0.22 0.00 0.00 0.00 179.25 178.20 3i12 h LYS 25 N -0.34 0.91 -0.18 0.00 3.64 -0.67 0.24 116.57 120.16 3i12 h LYS 25 Ca 0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3i12 h LYS 25 Cb 0.38 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3i12 h LYS 25 CO -0.13 0.60 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.70 3i12 h ASN 26 N 0.93 0.36 -0.49 4.20 2.35 0.62 -1.61 115.58 121.95 3i12 h ASN 26 Ca 0.38 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3i12 h ASN 26 Cb 0.28 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3i12 h ASN 26 CO -0.15 0.64 0.28 0.40 -1.65 0.00 0.00 177.43 176.95 3i12 h ILE 27 N 0.07 1.03 -0.70 2.81 2.04 -0.05 -1.80 117.51 120.92 3i12 h ILE 27 Ca 0.05 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3i12 h ILE 27 Cb 0.48 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3i12 h ILE 27 CO 0.02 0.10 0.40 0.58 0.00 0.00 0.00 178.15 179.25 3i12 h VAL 28 N 0.55 1.21 0.00 1.67 2.07 -0.44 0.26 116.25 121.57 3i12 h VAL 28 Ca 0.20 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3i12 h VAL 28 Cb 0.04 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3i12 h VAL 28 CO -0.10 0.22 -0.18 0.44 0.02 0.00 0.00 177.57 177.97 3i12 h ASP 29 N 0.96 0.00 0.00 0.57 3.32 -0.78 -3.30 116.42 117.19 3i12 h ASP 29 Ca 0.25 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 3i12 h ASP 29 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3i12 h ASP 29 CO -0.04 0.18 -1.75 0.00 -1.72 0.00 0.00 179.24 175.90 3i12 n ALA 30 N -2.23 2.47 -1.77 3.45 0.00 -0.72 -5.00 120.51 116.71 3i12 n ALA 30 Ca -0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 3i12 n ALA 30 Cb 0.37 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 3i12 n ALA 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i12 s ILE 31 N -3.00 2.38 -0.61 0.00 2.07 0.01 -4.44 121.20 117.60 3i12 s ILE 31 Ca -0.06 0.38 -0.26 0.00 -1.41 0.00 0.00 60.65 59.30 3i12 s ILE 31 Cb 0.09 -3.24 -0.06 0.00 0.13 0.00 0.00 42.46 39.39 3i12 s ILE 31 CO 0.65 0.09 2.15 -0.62 -1.91 0.00 0.00 174.94 175.29 3i12 s ASP 32 N -0.34 4.77 0.03 4.50 -1.08 -1.26 -4.81 116.67 118.47 3i12 s ASP 32 Ca 0.51 0.50 0.22 0.00 -0.52 0.00 0.00 52.55 53.26 3i12 s ASP 32 Cb -0.43 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.44 3i12 s ASP 32 CO 0.58 -2.78 1.70 0.29 0.52 0.00 0.00 175.17 175.48 3i12 n LYS 33 N 9.05 0.03 0.12 4.34 4.76 -1.26 -1.42 118.16 133.77 3i12 n LYS 33 Ca 0.32 0.15 -0.02 0.00 -2.87 0.00 0.00 58.31 55.88 3i12 n LYS 33 Cb 0.52 -1.54 0.12 0.00 -1.84 0.00 0.00 35.03 32.29 3i12 n LYS 33 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3i12 h THR 34 N 0.00 1.49 0.05 -0.18 1.35 -2.02 -3.34 112.91 110.26 3i12 h THR 34 Ca 0.00 -2.34 -0.34 0.00 -0.55 0.00 0.00 66.41 63.18 3i12 h THR 34 Cb 0.40 2.26 -0.04 0.00 -1.73 0.00 0.00 68.15 69.04 3i12 h THR 34 CO 0.00 0.67 -1.98 0.54 -0.25 0.00 0.00 175.52 174.50 3i12 n ARG 35 N -3.73 0.69 -4.88 4.72 1.74 -0.72 -4.96 116.66 109.53 3i12 n ARG 35 Ca -0.01 0.23 -0.26 0.00 -0.77 0.00 0.00 57.85 57.04 3i12 n ARG 35 Cb 0.67 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.56 1.72 -0.14 -1.55 0.08 -0.51 -2.74 117.98 112.28 3i12 s PHE 36 Ca -0.15 -0.42 -0.19 0.00 0.12 0.00 0.00 56.93 56.29 3i12 s PHE 36 Cb 0.07 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 3i12 s PHE 36 CO 0.78 -0.11 0.51 -0.51 -0.10 0.00 0.00 175.22 175.79 3i12 s ASP 37 N -0.17 6.67 -0.08 1.36 1.01 -0.27 -4.40 116.67 120.78 3i12 s ASP 37 Ca 0.01 0.80 -0.13 0.00 0.71 0.00 0.00 52.55 53.93 3i12 s ASP 37 Cb -0.10 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 3i12 s ASP 37 CO 0.01 -0.07 0.33 0.54 0.21 0.00 0.00 175.17 176.19 3i12 s VAL 38 N 0.98 5.21 -0.05 -1.27 0.11 -1.26 -0.23 120.40 123.89 3i12 s VAL 38 Ca 0.26 0.65 0.06 0.00 -2.93 0.00 0.00 61.98 60.03 3i12 s VAL 38 Cb -0.15 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 3i12 s VAL 38 CO 0.11 0.51 -0.24 0.68 -3.33 0.00 0.00 175.10 172.82 3i12 s VAL 39 N -0.48 1.97 -0.36 2.04 -7.23 0.38 -4.90 120.40 111.82 3i12 s VAL 39 Ca 0.20 -1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 59.20 3i12 s VAL 39 Cb -0.15 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 3i12 s VAL 39 CO 0.09 0.55 0.30 -0.76 -0.31 0.00 0.00 175.10 174.97 3i12 s LEU 40 N -0.22 4.64 -0.71 1.32 1.43 -1.26 -0.92 118.68 122.96 3i12 s LEU 40 Ca -0.01 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 3i12 s LEU 40 Cb -0.13 -2.21 0.18 0.00 0.03 0.00 0.00 46.19 44.06 3i12 s LEU 40 CO 0.03 -0.33 0.57 -0.76 0.23 0.00 0.00 176.35 176.09 3i12 s LEU 41 N 1.82 5.86 -0.02 1.79 1.02 0.05 -0.61 118.68 128.60 3i12 s LEU 41 Ca 0.08 -2.78 -0.23 0.00 0.02 0.00 0.00 54.13 51.22 3i12 s LEU 41 Cb -0.17 -2.00 -0.05 0.00 0.02 0.00 0.00 46.19 43.99 3i12 s LEU 41 CO 0.11 -0.46 0.68 -0.83 0.02 0.00 0.00 176.35 175.87 3i12 s GLY 42 N 1.31 2.65 -0.22 -3.19 0.00 -0.53 -2.22 107.32 105.12 3i12 s GLY 42 Ca 0.17 0.13 -0.09 0.00 0.00 0.00 0.00 44.72 44.94 3i12 s GLY 42 CO -0.06 1.03 0.10 -0.42 0.00 0.00 0.00 173.10 173.76 3i12 s ILE 43 N 0.32 4.92 0.88 0.90 -1.09 0.82 -1.30 121.20 126.64 3i12 s ILE 43 Ca 0.36 0.02 -0.16 0.00 -2.23 0.00 0.00 60.65 58.64 3i12 s ILE 43 Cb -0.18 -3.27 -0.07 0.00 -1.58 0.00 0.00 42.46 37.35 3i12 s ILE 43 CO 0.19 0.38 -0.12 0.47 -1.23 0.00 0.00 174.94 174.63 3i12 n ASP 44 N 4.16 -3.69 0.30 3.58 8.00 0.32 -0.15 116.55 129.06 3i12 n ASP 44 Ca -0.16 0.36 0.20 0.00 0.71 0.00 0.00 54.79 55.90 3i12 n ASP 44 Cb 0.52 -0.99 1.00 0.00 -0.02 0.00 0.00 41.12 41.63 3i12 n ASP 44 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3i12 h LYS 45 N -0.93 0.00 -0.21 -1.24 1.57 -1.90 0.59 116.57 114.44 3i12 h LYS 45 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3i12 h LYS 45 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3i12 h LYS 45 CO 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 3i12 n ALA 46 N -2.04 2.47 -0.27 3.86 0.00 -1.26 -4.38 120.51 118.89 3i12 n ALA 46 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3i12 n ALA 46 Cb 0.13 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.33 0.69 3.82 0.00 0.00 0.19 -4.96 105.19 106.27 3i12 n GLY 47 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.69 4.19 -0.14 1.61 -1.52 -1.26 -4.76 119.66 117.08 3i12 s GLN 48 Ca 0.00 0.78 -0.07 0.00 -1.95 0.00 0.00 55.36 54.12 3i12 s GLN 48 Cb 0.00 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.88 3i12 s GLN 48 CO 0.00 0.40 0.13 -1.58 -0.25 0.00 0.00 175.29 173.98 3i12 s TRP 49 N -1.54 3.51 0.05 0.91 0.52 -1.26 -0.52 118.94 120.62 3i12 s TRP 49 Ca 0.43 0.44 0.00 0.00 0.02 0.00 0.00 56.10 56.99 3i12 s TRP 49 Cb -0.16 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 3i12 s TRP 49 CO 0.20 0.59 -0.04 -1.01 0.02 0.00 0.00 176.95 176.71 3i12 s HIS 50 N -0.62 0.56 -0.09 -1.98 3.76 -0.42 -0.99 115.29 115.50 3i12 s HIS 50 Ca 0.13 -0.87 -0.23 0.00 -0.15 0.00 0.00 55.06 53.94 3i12 s HIS 50 Cb -0.12 -0.37 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 3i12 s HIS 50 CO 0.02 -0.26 0.70 0.08 -0.85 0.00 0.00 174.74 174.43 3i12 s VAL 51 N -3.08 5.03 0.34 -0.90 1.01 -0.53 -1.46 120.40 120.82 3i12 s VAL 51 Ca 0.01 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.49 3i12 s VAL 51 Cb 0.02 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3i12 s VAL 51 CO -0.06 0.21 0.34 0.20 0.00 0.00 0.00 175.10 175.80 3i12 s ASN 52 N 0.87 5.44 -0.19 3.32 0.01 0.22 -4.66 114.94 119.97 3i12 s ASN 52 Ca 0.36 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 52.06 3i12 s ASN 52 Cb -0.17 -1.01 -0.01 0.00 0.41 0.00 0.00 41.25 40.47 3i12 s ASN 52 CO 0.17 -0.39 -0.08 -0.62 -1.51 0.00 0.00 177.10 174.66 3i12 s ASP 53 N -4.05 4.13 0.42 -1.22 2.15 -1.26 -4.26 116.67 112.59 3i12 s ASP 53 Ca 0.42 -0.38 0.32 0.00 0.43 0.00 0.00 52.55 53.34 3i12 s ASP 53 Cb -0.07 -1.68 1.43 0.00 -0.30 0.00 0.00 42.92 42.30 3i12 s ASP 53 CO 0.28 0.04 1.48 0.00 -0.17 0.00 0.00 175.17 176.80 3i12 n ALA 54 N 4.35 1.32 0.96 3.66 0.00 -1.26 -1.82 120.51 127.72 3i12 n ALA 54 Ca -0.18 0.82 0.12 0.00 0.00 0.00 0.00 53.44 54.19 3i12 n ALA 54 Cb 0.51 -1.01 0.23 0.00 0.00 0.00 0.00 19.45 19.18 3i12 n ALA 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i12 n GLU 55 N -4.57 2.20 -2.77 0.00 1.02 -1.26 -4.33 120.64 110.92 3i12 n GLU 55 Ca 0.38 -1.76 -0.06 0.00 -0.02 0.00 0.00 57.16 55.71 3i12 n GLU 55 Cb 1.51 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 31.48 3i12 n GLU 55 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3i12 n ASN 56 N 1.08 -3.22 0.00 1.62 5.15 -0.76 -4.95 115.26 114.17 3i12 n ASN 56 Ca 0.16 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 3i12 n ASN 56 Cb 0.53 1.72 0.00 0.00 -0.53 0.00 0.00 39.78 41.51 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 2.54 0.00 -5.00 1.20 0.18 -0.83 -4.29 117.16 110.97 3i12 n TYR 57 Ca 0.16 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.64 3i12 n TYR 57 Cb 0.58 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.37 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 -2.25 1.94 -0.06 -3.48 1.43 -1.26 -1.21 118.68 113.78 3i12 s LEU 58 Ca 0.00 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 3i12 s LEU 58 Cb 0.00 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 3i12 s LEU 58 CO 0.00 0.12 0.51 -1.10 0.23 0.00 0.00 176.35 176.11 3i12 s GLN 59 N 0.44 4.26 -1.13 1.70 1.11 0.21 -4.42 119.66 121.83 3i12 s GLN 59 Ca -0.17 0.55 -0.04 0.00 0.01 0.00 0.00 55.36 55.71 3i12 s GLN 59 Cb -0.17 -3.36 -0.03 0.00 -1.01 0.00 0.00 33.01 28.43 3i12 s GLN 59 CO 0.07 0.33 0.93 0.09 0.01 0.00 0.00 175.29 176.72 3i12 n ASN 60 N 3.00 -4.38 0.30 5.90 3.02 -1.26 -0.48 115.26 121.36 3i12 n ASN 60 Ca -0.08 -0.69 0.18 0.00 -0.03 0.00 0.00 54.58 53.95 3i12 n ASN 60 Cb 0.51 -5.03 0.95 0.00 -0.61 0.00 0.00 39.78 35.60 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 0.42 1.10 0.00 5.41 0.00 -1.90 -3.00 119.26 121.29 3i12 h ALA 61 Ca -0.60 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 53.89 3i12 h ALA 61 Cb 1.33 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 3i12 h ALA 61 CO 0.47 -0.10 -2.47 -0.25 0.00 0.00 0.00 179.25 176.90 3i12 n ASP 62 N -2.81 1.97 -4.55 0.00 8.00 -1.26 -4.85 116.55 113.04 3i12 n ASP 62 Ca -0.02 0.09 -0.27 0.00 0.71 0.00 0.00 54.79 55.30 3i12 n ASP 62 Cb 0.16 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.63 3i12 n ASP 62 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i12 s ASP 63 N -6.92 4.24 0.09 -2.24 -1.08 -1.13 -4.74 116.67 104.88 3i12 s ASP 63 Ca -0.36 0.64 0.24 0.00 -0.52 0.00 0.00 52.55 52.55 3i12 s ASP 63 Cb 0.12 -2.52 0.95 0.00 -1.46 0.00 0.00 42.92 40.00 3i12 s ASP 63 CO 0.53 -3.27 1.74 -0.81 0.52 0.00 0.00 175.17 173.88 3i12 n PRO 64 N 8.94 0.09 -3.88 4.34 -0.05 -1.26 -0.21 135.00 142.97 3i12 n PRO 64 Ca 0.40 0.18 -0.36 0.00 -0.05 0.00 0.00 63.50 63.68 3i12 n PRO 64 Cb 0.50 -1.63 -0.12 0.00 -0.05 0.00 0.00 33.50 32.20 3i12 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3i12 s ALA 65 N -3.08 3.22 0.00 0.55 0.00 -1.26 -4.43 121.76 116.76 3i12 s ALA 65 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3i12 s ALA 65 Cb 0.14 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3i12 s ALA 65 CO 0.46 -0.25 0.00 0.72 0.00 0.00 0.00 175.76 176.68 3i12 n HIS 66 N 4.45 0.00 -2.00 0.00 8.25 -1.22 -5.09 115.22 119.61 3i12 n HIS 66 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 3i12 n HIS 66 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3i12 n HIS 66 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3i12 s ILE 67 N -2.02 2.87 -0.08 1.59 2.07 0.70 -4.43 121.20 121.89 3i12 s ILE 67 Ca 0.00 0.58 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 3i12 s ILE 67 Cb 0.00 -3.37 0.03 0.00 0.13 0.00 0.00 42.46 39.24 3i12 s ILE 67 CO 0.00 0.04 0.29 0.00 -1.91 0.00 0.00 174.94 173.36 3i12 s ALA 68 N 1.37 -0.72 -0.02 1.50 0.00 0.37 -4.88 121.76 119.38 3i12 s ALA 68 Ca 0.69 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 3i12 s ALA 68 Cb -0.41 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 3i12 s ALA 68 CO 0.31 -0.18 1.62 -1.17 0.00 0.00 0.00 175.76 176.34 3i12 s LEU 69 N -0.35 4.33 0.37 0.00 2.96 -1.26 0.67 118.68 125.39 3i12 s LEU 69 Ca -0.05 2.26 -0.28 0.00 -0.22 0.00 0.00 54.13 55.84 3i12 s LEU 69 Cb -0.03 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.00 3i12 s LEU 69 CO 0.01 -0.89 1.52 -1.14 -1.32 0.00 0.00 176.35 174.54 3i12 n ARG 70 N 6.58 2.72 -0.95 1.98 0.63 -0.35 -4.87 116.66 122.40 3i12 n ARG 70 Ca 0.16 0.95 -0.28 0.00 -0.92 0.00 0.00 57.85 57.76 3i12 n ARG 70 Cb 0.42 -2.70 0.20 0.00 0.45 0.00 0.00 32.46 30.83 3i12 n ARG 70 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3i12 s PRO 71 N -1.85 -0.08 0.01 -0.14 0.02 -1.26 -4.99 135.00 126.70 3i12 s PRO 71 Ca 0.55 0.63 -0.24 0.00 0.02 0.00 0.00 61.00 61.96 3i12 s PRO 71 Cb -0.47 -1.67 0.05 0.00 0.02 0.00 0.00 34.50 32.43 3i12 s PRO 71 CO 0.61 -3.10 0.53 0.45 -0.33 0.00 0.00 177.00 175.16 3i12 s SER 72 N -3.12 -0.47 -0.04 2.53 0.15 -1.26 -5.02 113.70 106.47 3i12 s SER 72 Ca 0.66 0.33 0.16 0.00 0.70 0.00 0.00 55.95 57.80 3i12 s SER 72 Cb -0.21 0.48 0.50 0.00 -1.71 0.00 0.00 66.02 65.08 3i12 s SER 72 CO 0.60 -0.64 1.42 0.00 1.20 0.00 0.00 173.24 175.82 3i12 n ALA 73 N 0.70 2.47 -3.87 5.45 0.00 -1.26 -4.76 120.51 119.24 3i12 n ALA 73 Ca -0.19 -1.38 -0.33 0.00 0.00 0.00 0.00 53.44 51.54 3i12 n ALA 73 Cb 0.59 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.31 2.96 0.12 0.00 1.01 -1.26 -5.06 121.20 117.66 3i12 s ILE 74 Ca 0.38 -2.84 -0.20 0.00 0.00 0.00 0.00 60.65 57.99 3i12 s ILE 74 Cb 0.22 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 3i12 s ILE 74 CO 0.22 -0.77 0.64 -0.55 0.00 0.00 0.00 174.94 174.48 3i12 s SER 75 N 0.54 7.12 -0.07 3.58 0.15 -1.26 -1.45 113.70 122.31 3i12 s SER 75 Ca 0.14 1.36 -0.01 0.00 0.70 0.00 0.00 55.95 58.14 3i12 s SER 75 Cb -0.22 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 3i12 s SER 75 CO -0.03 0.21 -0.01 -0.76 1.20 0.00 0.00 173.24 173.85 3i12 s LEU 76 N -1.32 3.52 0.16 3.45 1.43 -0.16 -1.03 118.68 124.72 3i12 s LEU 76 Ca 0.33 0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.63 3i12 s LEU 76 Cb -0.20 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3i12 s LEU 76 CO 0.21 0.36 -0.23 0.00 0.23 0.00 0.00 176.35 176.92 3i12 s ALA 77 N -0.91 2.29 -0.04 4.21 0.00 0.24 -4.68 121.76 122.87 3i12 s ALA 77 Ca 0.14 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.59 3i12 s ALA 77 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3i12 s ALA 77 CO 0.04 0.40 -0.04 1.14 0.00 0.00 0.00 175.76 177.29 3i12 s GLN 78 N -2.47 2.75 -0.41 0.00 1.03 -1.26 -0.90 119.66 118.40 3i12 s GLN 78 Ca 0.16 -0.57 -0.08 0.00 0.04 0.00 0.00 55.36 54.91 3i12 s GLN 78 Cb -0.08 -2.62 0.08 0.00 0.03 0.00 0.00 33.01 30.42 3i12 s GLN 78 CO 0.08 0.65 0.24 0.08 -2.54 0.00 0.00 175.29 173.80 3i12 s VAL 79 N -0.91 4.12 0.31 3.63 1.01 0.29 -4.98 120.40 123.87 3i12 s VAL 79 Ca 0.15 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 3i12 s VAL 79 Cb -0.11 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 3i12 s VAL 79 CO 0.04 -0.50 1.53 -2.16 0.00 0.00 0.00 175.10 174.02 3i12 s PRO 80 N 1.40 4.14 0.00 2.72 0.04 -1.26 -3.05 135.00 138.99 3i12 s PRO 80 Ca 0.03 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3i12 s PRO 80 Cb -0.23 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3i12 s PRO 80 CO 0.02 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.90 3i12 n GLY 81 N 1.62 1.75 3.84 0.56 0.00 -0.72 -5.01 105.19 107.23 3i12 n GLY 81 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.67 3.69 0.00 1.61 1.02 -1.17 -4.95 119.74 119.27 3i12 s LYS 82 Ca 0.00 0.92 0.12 0.00 0.02 0.00 0.00 55.97 57.04 3i12 s LYS 82 Cb 0.00 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 3i12 s LYS 82 CO 0.00 -0.49 0.66 0.72 -0.92 0.00 0.00 175.35 175.32 3i12 n HIS 83 N -2.10 0.00 -3.92 3.18 8.25 -1.26 -4.22 115.22 115.15 3i12 n HIS 83 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 3i12 n HIS 83 Cb 0.54 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.58 3i12 n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3i12 s GLN 84 N -1.73 1.06 -1.55 -0.41 0.74 -1.26 -4.89 119.66 111.63 3i12 s GLN 84 Ca 0.09 -1.10 -0.15 0.00 0.05 0.00 0.00 55.36 54.24 3i12 s GLN 84 Cb 0.10 0.37 0.12 0.00 1.10 0.00 0.00 33.01 34.70 3i12 s GLN 84 CO 0.36 -0.38 0.74 0.72 -0.55 0.00 0.00 175.29 176.18 3i12 n HIS 85 N -0.17 -1.85 0.38 1.67 8.25 -1.26 -4.81 115.22 117.43 3i12 n HIS 85 Ca -0.10 0.72 0.13 0.00 -0.26 0.00 0.00 57.72 58.21 3i12 n HIS 85 Cb 0.63 -3.08 0.36 0.00 1.12 0.00 0.00 29.99 29.02 3i12 n HIS 85 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3i12 h GLN 86 N -1.43 0.00 -5.17 -0.41 7.50 -1.89 -3.41 115.11 110.30 3i12 h GLN 86 Ca -0.54 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 57.98 3i12 h GLN 86 Cb 1.35 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.69 3i12 h GLN 86 CO 0.69 0.00 -0.60 -0.51 -1.50 0.00 0.00 178.83 176.91 3i12 s LEU 87 N -5.47 3.61 0.26 1.46 1.43 -1.26 -0.55 118.68 118.16 3i12 s LEU 87 Ca 0.07 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3i12 s LEU 87 Cb 0.08 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 3i12 s LEU 87 CO 0.59 0.10 -0.06 0.27 0.23 0.00 0.00 176.35 177.48 3i12 s ILE 88 N 0.81 1.58 -0.31 -0.59 -4.36 -0.08 -3.72 121.20 114.53 3i12 s ILE 88 Ca 0.03 -2.13 -0.29 0.00 -0.26 0.00 0.00 60.65 58.00 3i12 s ILE 88 Cb -0.14 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.20 3i12 s ILE 88 CO 0.02 -0.35 1.25 0.21 0.24 0.00 0.00 174.94 176.31 3i12 s ASN 89 N -3.41 6.72 0.51 4.36 3.84 0.39 -0.59 114.94 126.77 3i12 s ASN 89 Ca 0.28 1.14 0.20 0.00 0.21 0.00 0.00 52.86 54.69 3i12 s ASN 89 Cb 0.03 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.52 3i12 s ASN 89 CO 0.11 -1.05 2.12 0.00 -2.79 0.00 0.00 177.10 175.49 3i12 h ALA 90 N 9.05 1.73 -0.36 1.71 0.00 -1.36 0.39 119.26 130.43 3i12 h ALA 90 Ca -0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3i12 h ALA 90 Cb 1.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3i12 h ALA 90 CO 1.04 0.09 -0.14 0.37 0.00 0.00 0.00 179.25 180.60 3i12 h GLN 91 N 0.00 0.63 0.00 0.00 4.15 -1.91 -3.38 115.11 114.60 3i12 h GLN 91 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.21 3i12 h GLN 91 Cb 0.13 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3i12 h GLN 91 CO 0.01 0.75 0.00 0.27 -1.93 0.00 0.00 178.83 177.93 3i12 n ASN 92 N -4.17 0.00 0.00 -0.69 0.23 -1.13 -5.03 115.26 104.48 3i12 n ASN 92 Ca 0.01 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 3i12 n ASN 92 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.00 0.61 3.77 4.83 0.00 0.14 -5.02 105.19 109.51 3i12 n GLY 93 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3i12 n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i12 s GLN 94 N -0.12 3.85 0.49 1.61 -0.21 -1.22 -4.65 119.66 119.41 3i12 s GLN 94 Ca 0.00 2.00 -0.21 0.00 0.02 0.00 0.00 55.36 57.18 3i12 s GLN 94 Cb 0.00 -2.61 -0.08 0.00 1.00 0.00 0.00 33.01 31.32 3i12 s GLN 94 CO 0.00 -0.54 1.07 -1.25 -2.12 0.00 0.00 175.29 172.45 3i12 s PRO 95 N -2.42 3.73 0.22 2.91 0.04 -1.26 -0.46 135.00 137.75 3i12 s PRO 95 Ca 0.60 1.46 0.05 0.00 0.04 0.00 0.00 61.00 63.14 3i12 s PRO 95 Cb -0.34 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 3i12 s PRO 95 CO 0.43 -0.51 -0.05 -0.51 0.04 0.00 0.00 177.00 176.40 3i12 s LEU 96 N -3.46 2.37 0.61 -3.56 1.43 -1.24 -4.83 118.68 110.01 3i12 s LEU 96 Ca 0.68 -1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 3i12 s LEU 96 Cb -0.19 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 3i12 s LEU 96 CO 0.23 -0.39 1.24 -2.84 0.23 0.00 0.00 176.35 174.82 3i12 s PRO 97 N -3.78 2.84 0.16 1.29 0.02 -1.26 -4.74 135.00 129.53 3i12 s PRO 97 Ca 0.25 1.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.90 3i12 s PRO 97 Cb 0.04 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.56 3i12 s PRO 97 CO 0.07 -1.34 1.28 0.99 -0.33 0.00 0.00 177.00 177.68 3i12 s THR 98 N -1.51 3.41 -0.02 0.99 2.01 -1.26 -4.88 115.64 114.37 3i12 s THR 98 Ca 0.79 1.12 -0.21 0.00 0.31 0.00 0.00 61.69 63.70 3i12 s THR 98 Cb -0.33 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 3i12 s THR 98 CO 0.36 0.15 0.61 -0.69 -0.69 0.00 0.00 174.62 174.36 3i12 s VAL 99 N 0.35 4.95 -0.08 3.82 1.01 -1.26 -4.84 120.40 124.36 3i12 s VAL 99 Ca 0.57 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.90 3i12 s VAL 99 Cb -0.35 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 3i12 s VAL 99 CO 0.35 0.37 0.51 0.47 0.00 0.00 0.00 175.10 176.81 3i12 n ASP 100 N 3.02 1.21 -3.75 3.32 8.00 -0.13 -4.93 116.55 123.29 3i12 n ASP 100 Ca -0.06 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 3i12 n ASP 100 Cb 0.51 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 41.29 3i12 n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i12 s VAL 101 N -2.58 0.05 -0.12 2.53 1.01 -1.10 -4.36 120.40 115.82 3i12 s VAL 101 Ca -0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3i12 s VAL 101 Cb 0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3i12 s VAL 101 CO 0.80 -0.23 -0.06 -0.63 0.00 0.00 0.00 175.10 174.99 3i12 s ILE 102 N -1.17 3.74 -0.37 2.22 -1.09 0.48 -0.72 121.20 124.29 3i12 s ILE 102 Ca -0.12 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 57.85 3i12 s ILE 102 Cb -0.05 -2.60 0.09 0.00 -1.58 0.00 0.00 42.46 38.33 3i12 s ILE 102 CO 0.04 0.53 0.13 0.12 -1.23 0.00 0.00 174.94 174.53 3i12 s PHE 103 N -0.03 3.51 -0.11 3.97 5.99 0.11 -0.97 117.98 130.45 3i12 s PHE 103 Ca 0.00 -2.29 -0.18 0.00 0.00 0.00 0.00 56.93 54.46 3i12 s PHE 103 Cb -0.13 -2.86 -0.04 0.00 0.00 0.00 0.00 43.02 39.99 3i12 s PHE 103 CO 0.03 -0.92 0.48 -1.25 -0.00 0.00 0.00 175.22 173.57 3i12 s PRO 104 N 1.16 4.32 -0.12 10.12 0.04 -1.26 -1.56 135.00 147.69 3i12 s PRO 104 Ca 0.04 0.47 0.23 0.00 0.04 0.00 0.00 61.00 61.78 3i12 s PRO 104 Cb -0.21 -3.42 0.46 0.00 0.04 0.00 0.00 34.50 31.36 3i12 s PRO 104 CO -0.03 0.19 1.15 1.51 0.04 0.00 0.00 177.00 179.86 3i12 n ILE 105 N 3.54 0.76 -3.12 0.56 0.13 -0.16 -4.94 119.36 116.13 3i12 n ILE 105 Ca -0.07 -2.03 -0.45 0.00 -1.10 0.00 0.00 62.75 59.10 3i12 n ILE 105 Cb 0.52 0.90 -0.05 0.00 -0.84 0.00 0.00 39.64 40.17 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 -1.86 4.83 0.74 9.51 1.01 -1.23 -4.60 120.40 128.80 3i12 s VAL 106 Ca 0.33 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 3i12 s VAL 106 Cb 0.36 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 32.33 3i12 s VAL 106 CO -0.10 -1.11 1.07 -1.00 0.00 0.00 0.00 175.10 173.96 3i12 s HIS 107 N 2.67 2.95 0.00 5.22 0.09 -1.26 -4.24 115.29 120.72 3i12 s HIS 107 Ca 0.12 0.57 0.00 0.00 -0.00 0.00 0.00 55.06 55.75 3i12 s HIS 107 Cb -0.24 -3.28 0.00 0.00 -0.00 0.00 0.00 32.58 29.06 3i12 s HIS 107 CO 0.06 -1.51 0.00 0.41 -0.00 0.00 0.00 174.74 173.71 3i12 n GLY 108 N -3.05 -0.81 0.02 -2.22 0.00 -1.26 -4.76 105.19 93.11 3i12 n GLY 108 Ca 0.08 -2.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 -0.09 2.61 2.02 -1.91 -2.73 112.91 112.81 3i12 h THR 109 Ca 0.00 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3i12 h THR 109 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 3i12 h THR 109 CO 0.00 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.76 3i12 h LEU 110 N -0.24 0.12 0.00 2.58 3.38 -1.93 -2.36 115.31 116.86 3i12 h LEU 110 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i12 h LEU 110 Cb 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3i12 h LEU 110 CO 0.00 0.20 -0.21 1.23 0.09 0.00 0.00 178.44 179.75 3i12 h GLY 111 N 0.44 0.00 -0.06 0.83 0.00 -1.79 -1.42 103.07 101.08 3i12 h GLY 111 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3i12 h GLY 111 CO 0.01 0.00 -0.03 1.18 0.00 0.00 0.00 176.54 177.70 3i12 n GLU 112 N -3.14 3.04 -0.54 4.80 1.02 -1.03 -4.69 120.64 120.10 3i12 n GLU 112 Ca 0.03 -0.28 0.09 0.00 -0.02 0.00 0.00 57.16 56.98 3i12 n GLU 112 Cb 0.61 -0.78 0.32 0.00 -0.02 0.00 0.00 31.44 31.56 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 -0.50 4.25 0.00 1.62 5.75 -0.90 -4.46 116.55 122.32 3i12 n ASP 113 Ca 0.01 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 3i12 n ASP 113 Cb 0.03 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 3i12 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i12 n GLY 114 N 1.11 1.66 0.11 6.12 0.00 -1.26 -3.89 105.19 109.05 3i12 n GLY 114 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 3i12 n GLY 114 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i12 h SER 115 N 0.00 -0.16 -0.80 1.61 0.02 -1.86 -0.48 113.55 111.88 3i12 h SER 115 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3i12 h SER 115 Cb 0.00 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3i12 h SER 115 CO 0.00 0.05 0.51 0.25 -1.14 0.00 0.00 176.83 176.50 3i12 h LEU 116 N -0.37 0.94 -0.63 5.07 5.85 -1.55 -1.47 115.31 123.15 3i12 h LEU 116 Ca -0.02 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3i12 h LEU 116 Cb 0.29 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3i12 h LEU 116 CO 0.03 0.70 0.39 1.56 -0.34 0.00 0.00 178.44 180.78 3i12 h GLN 117 N 1.09 0.74 -0.29 1.25 7.50 -1.80 0.55 115.11 124.14 3i12 h GLN 117 Ca 0.29 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 59.42 3i12 h GLN 117 Cb -0.09 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.25 3i12 h GLN 117 CO -0.06 0.49 0.13 0.78 -1.50 0.00 0.00 178.83 178.67 3i12 h GLY 118 N 0.76 0.39 1.01 3.46 0.00 -0.60 0.14 103.07 108.22 3i12 h GLY 118 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3i12 h GLY 118 CO -0.11 0.07 0.51 1.98 0.00 0.00 0.00 176.54 178.99 3i12 h MET 119 N 0.28 1.07 -0.24 4.80 1.85 -0.75 0.11 114.93 122.06 3i12 h MET 119 Ca 0.12 -0.08 -0.09 0.00 -0.61 0.00 0.00 59.70 59.04 3i12 h MET 119 Cb 0.06 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 3i12 h MET 119 CO -0.10 0.73 -0.26 -0.07 -0.40 0.00 0.00 176.91 176.81 3i12 h LEU 120 N 1.09 0.46 -0.48 3.39 3.38 -0.35 -1.32 115.31 121.48 3i12 h LEU 120 Ca 0.29 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3i12 h LEU 120 Cb -0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3i12 h LEU 120 CO -0.06 0.71 -0.05 -0.09 0.09 0.00 0.00 178.44 179.04 3i12 h ARG 121 N 0.40 0.88 0.00 1.13 2.43 -0.07 -0.66 114.38 118.51 3i12 h ARG 121 Ca 0.06 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 3i12 h ARG 121 Cb 0.67 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3i12 h ARG 121 CO 0.05 0.95 -0.18 0.28 -1.51 0.00 0.00 179.97 179.56 3i12 h VAL 122 N 0.74 0.83 -0.26 0.20 2.07 -0.37 -2.31 116.25 117.15 3i12 h VAL 122 Ca 0.13 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3i12 h VAL 122 Cb 0.58 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3i12 h VAL 122 CO 0.03 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.80 3i12 n ALA 123 N -2.37 2.48 -3.64 1.67 0.00 -0.54 -1.76 120.51 116.36 3i12 n ALA 123 Ca -0.02 -0.62 -0.27 0.00 0.00 0.00 0.00 53.44 52.53 3i12 n ALA 123 Cb 0.27 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.72 3i12 n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i12 n ASN 124 N 0.53 -4.95 -4.62 0.00 4.13 -0.60 -4.72 115.26 105.03 3i12 n ASN 124 Ca 0.15 -0.60 -0.38 0.00 1.68 0.00 0.00 54.58 55.44 3i12 n ASN 124 Cb 0.35 -3.98 -0.10 0.00 -1.54 0.00 0.00 39.78 34.52 3i12 n ASN 124 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3i12 s LEU 125 N -7.03 4.07 0.59 3.41 1.43 -0.35 -4.94 118.68 115.85 3i12 s LEU 125 Ca 0.55 0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.59 3i12 s LEU 125 Cb -0.27 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 3i12 s LEU 125 CO 0.68 -0.04 1.02 -2.65 0.23 0.00 0.00 176.35 175.59 3i12 n PRO 126 N 4.81 0.98 -3.69 1.29 -0.02 -1.26 -4.63 135.00 132.48 3i12 n PRO 126 Ca -0.13 0.38 -0.15 0.00 -2.02 0.00 0.00 63.50 61.58 3i12 n PRO 126 Cb 0.52 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 3i12 n PRO 126 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3i12 s PHE 127 N -1.48 -0.33 0.20 6.00 -0.12 -1.26 -0.39 117.98 120.60 3i12 s PHE 127 Ca 0.75 0.55 -0.30 0.00 -0.05 0.00 0.00 56.93 57.88 3i12 s PHE 127 Cb -0.42 0.19 -0.09 0.00 -0.63 0.00 0.00 43.02 42.07 3i12 s PHE 127 CO 0.47 -0.45 1.38 0.08 -0.05 0.00 0.00 175.22 176.65 3i12 s VAL 128 N -1.24 3.01 0.00 -2.49 1.01 -0.14 -4.65 120.40 115.89 3i12 s VAL 128 Ca -0.12 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3i12 s VAL 128 Cb -0.04 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3i12 s VAL 128 CO 0.06 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3i12 n GLY 129 N 2.55 -1.44 3.77 4.51 0.00 -1.26 -4.58 105.19 108.74 3i12 n GLY 129 Ca 0.08 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 3i12 n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i12 s SER 130 N -4.00 5.96 0.87 1.61 0.01 -0.95 -4.46 113.70 112.74 3i12 s SER 130 Ca 0.00 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.48 3i12 s SER 130 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3i12 s SER 130 CO 0.00 -1.06 0.00 -0.67 0.41 0.00 0.00 173.24 171.92 3i12 n ASP 131 N -0.90 0.00 0.14 2.44 2.03 -1.26 -4.69 116.55 114.31 3i12 n ASP 131 Ca 0.09 -0.99 -0.14 0.00 0.52 0.00 0.00 54.79 54.28 3i12 n ASP 131 Cb 0.50 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.87 0.28 0.02 5.18 2.07 -1.89 -1.14 116.25 119.90 3i12 h VAL 132 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i12 h VAL 132 Cb 0.00 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3i12 h VAL 132 CO 0.00 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.83 3i12 h LEU 133 N -0.61 -0.02 -0.62 2.57 5.85 -1.94 -0.57 115.31 119.97 3i12 h LEU 133 Ca 0.02 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.38 3i12 h LEU 133 Cb 0.62 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3i12 h LEU 133 CO -0.17 0.39 0.36 -1.28 -0.34 0.00 0.00 178.44 177.40 3i12 h SER 134 N -0.43 0.56 -0.28 1.25 0.87 -1.77 0.37 113.55 114.12 3i12 h SER 134 Ca -0.00 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3i12 h SER 134 Cb 0.42 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3i12 h SER 134 CO 0.00 0.38 0.15 0.28 -0.53 0.00 0.00 176.83 177.12 3i12 h SER 135 N 0.69 0.24 -0.50 6.23 0.02 -1.02 -0.02 113.55 119.19 3i12 h SER 135 Ca 0.26 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 3i12 h SER 135 Cb 0.09 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3i12 h SER 135 CO -0.13 0.18 0.03 0.00 -1.14 0.00 0.00 176.83 175.77 3i12 h ALA 136 N 1.13 0.67 -0.42 3.77 0.00 -0.72 -2.20 119.26 121.49 3i12 h ALA 136 Ca 0.11 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3i12 h ALA 136 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i12 h ALA 136 CO -0.06 0.45 -0.24 0.00 0.00 0.00 0.00 179.25 179.39 3i12 h ALA 137 N 0.95 0.59 0.00 0.00 0.00 -0.02 -1.56 119.26 119.22 3i12 h ALA 137 Ca 0.15 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3i12 h ALA 137 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i12 h ALA 137 CO 0.02 0.59 -0.31 0.00 0.00 0.00 0.00 179.25 179.55 3i12 h MET 139 N 0.00 0.00 -4.75 0.00 1.85 -0.85 -3.41 114.93 107.78 3i12 h MET 139 Ca -0.00 0.00 -0.70 0.00 -0.61 0.00 0.00 59.70 58.39 3i12 h MET 139 Cb 0.69 0.00 -0.19 0.00 0.43 0.00 0.00 31.60 32.52 3i12 h MET 139 CO 0.04 0.51 0.21 0.34 -0.40 0.00 0.00 176.91 177.61 3i12 s ASP 140 N -6.46 6.24 0.46 1.39 -1.08 -0.64 -4.14 116.67 112.44 3i12 s ASP 140 Ca 0.04 -1.49 0.13 0.00 -0.52 0.00 0.00 52.55 50.71 3i12 s ASP 140 Cb 0.08 -2.32 1.07 0.00 -1.46 0.00 0.00 42.92 40.29 3i12 s ASP 140 CO 0.75 -1.12 2.06 0.11 0.52 0.00 0.00 175.17 177.49 3i12 h LYS 141 N 9.14 0.29 0.63 4.34 1.57 -1.49 -0.41 116.57 130.64 3i12 h LYS 141 Ca -0.24 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3i12 h LYS 141 Cb 1.08 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3i12 h LYS 141 CO 1.09 0.19 -0.34 0.22 -0.57 0.00 0.00 179.45 180.05 3i12 h ASP 142 N 0.30 -0.82 -0.45 0.86 3.58 -1.91 -1.72 116.42 116.26 3i12 h ASP 142 Ca 0.14 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.64 3i12 h ASP 142 Cb 0.19 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 3i12 h ASP 142 CO -0.03 -0.55 0.28 0.58 -2.88 0.00 0.00 179.24 176.64 3i12 h VAL 143 N -0.89 1.07 -0.54 2.25 2.07 -1.67 -1.19 116.25 117.34 3i12 h VAL 143 Ca -0.08 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3i12 h VAL 143 Cb 0.70 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3i12 h VAL 143 CO 0.12 0.10 0.29 0.00 0.02 0.00 0.00 177.57 178.10 3i12 h ALA 144 N 1.19 0.70 -0.63 1.67 0.00 -1.09 -1.03 119.26 120.06 3i12 h ALA 144 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3i12 h ALA 144 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3i12 h ALA 144 CO -0.07 -0.05 0.25 0.87 0.00 0.00 0.00 179.25 180.26 3i12 h LYS 145 N 0.56 0.94 -0.90 0.00 1.57 -0.99 0.34 116.57 118.09 3i12 h LYS 145 Ca 0.24 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3i12 h LYS 145 Cb 0.13 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3i12 h LYS 145 CO -0.15 0.80 0.50 0.00 -0.57 0.00 0.00 179.45 180.02 3i12 h ARG 146 N 0.88 1.25 -0.05 3.15 3.08 -0.54 0.17 114.38 122.34 3i12 h ARG 146 Ca 0.21 -0.14 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 3i12 h ARG 146 Cb 0.20 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3i12 h ARG 146 CO -0.02 0.91 -0.86 -0.07 -1.07 0.00 0.00 179.97 178.87 3i12 h LEU 147 N 1.26 0.60 -0.47 3.04 3.38 -0.79 -1.13 115.31 121.20 3i12 h LEU 147 Ca 0.32 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3i12 h LEU 147 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3i12 h LEU 147 CO -0.05 1.22 0.06 -0.07 0.09 0.00 0.00 178.44 179.69 3i12 h LEU 148 N 0.30 0.76 -0.59 1.67 3.38 -0.63 -2.02 115.31 118.18 3i12 h LEU 148 Ca -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3i12 h LEU 148 Cb 1.47 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3i12 h LEU 148 CO 0.15 0.83 0.30 -0.09 0.09 0.00 0.00 178.44 179.73 3i12 h ARG 149 N 0.65 0.85 0.00 1.13 2.43 -0.55 -1.52 114.38 117.37 3i12 h ARG 149 Ca 0.14 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3i12 h ARG 149 Cb 0.41 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3i12 h ARG 149 CO 0.01 0.67 -0.08 0.22 -1.51 0.00 0.00 179.97 179.28 3i12 h ASP 150 N 0.81 0.00 0.15 -3.80 3.58 -1.08 0.28 116.42 116.36 3i12 h ASP 150 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3i12 h ASP 150 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 3i12 h ASP 150 CO -0.03 0.08 -0.03 0.00 -2.88 0.00 0.00 179.24 176.39 3i12 n ALA 151 N -2.22 2.66 -1.14 -0.78 0.00 -0.66 -4.90 120.51 113.48 3i12 n ALA 151 Ca -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.12 3i12 n ALA 151 Cb 0.23 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 1.13 0.75 3.89 0.00 0.00 0.10 -5.03 105.19 106.03 3i12 n GLY 152 Ca 0.20 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.10 3.94 0.20 0.99 1.43 -0.69 -5.02 118.68 118.43 3i12 s LEU 153 Ca 0.00 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 3i12 s LEU 153 Cb 0.00 -3.74 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 3i12 s LEU 153 CO 0.00 -0.30 0.91 0.20 0.23 0.00 0.00 176.35 177.39 3i12 s ASN 154 N -3.22 7.57 0.02 2.29 0.02 -1.26 -4.20 114.94 116.16 3i12 s ASN 154 Ca 0.47 1.86 -0.03 0.00 -1.02 0.00 0.00 52.86 54.14 3i12 s ASN 154 Cb -0.10 -2.58 -0.02 0.00 0.02 0.00 0.00 41.25 38.57 3i12 s ASN 154 CO 0.31 0.12 0.03 -0.51 0.02 0.00 0.00 177.10 177.08 3i12 s ILE 155 N -0.94 0.12 0.19 0.60 1.10 -1.26 -1.59 121.20 119.42 3i12 s ILE 155 Ca 0.41 -1.02 -0.32 0.00 -0.51 0.00 0.00 60.65 59.22 3i12 s ILE 155 Cb -0.25 -0.59 -0.11 0.00 0.15 0.00 0.00 42.46 41.65 3i12 s ILE 155 CO 0.30 -0.56 1.70 0.00 -2.11 0.00 0.00 174.94 174.28 3i12 s ALA 156 N -2.01 3.88 0.48 1.50 0.00 -1.26 -4.93 121.76 119.42 3i12 s ALA 156 Ca -0.10 1.52 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 3i12 s ALA 156 Cb -0.05 -3.69 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 3i12 s ALA 156 CO -0.02 -0.93 1.37 -2.30 0.00 0.00 0.00 175.76 173.88 3i12 n PRO 157 N 4.23 2.00 -3.90 0.00 -0.02 -1.26 -4.76 135.00 131.30 3i12 n PRO 157 Ca 0.16 0.72 -0.08 0.00 -2.02 0.00 0.00 63.50 62.28 3i12 n PRO 157 Cb 0.36 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 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 -1.23 -0.03 0.16 6.00 -0.12 -1.26 -0.36 117.98 121.14 3i12 s PHE 158 Ca 0.65 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.13 3i12 s PHE 158 Cb -0.45 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.47 3i12 s PHE 158 CO 0.55 -1.19 -0.02 0.96 -0.05 0.00 0.00 175.22 175.48 3i12 s ILE 159 N -3.89 0.71 -0.14 -4.49 -5.25 0.17 -4.99 121.20 103.32 3i12 s ILE 159 Ca 0.14 -1.98 0.02 0.00 -0.99 0.00 0.00 60.65 57.84 3i12 s ILE 159 Cb -0.05 -2.03 0.01 0.00 2.95 0.00 0.00 42.46 43.35 3i12 s ILE 159 CO 0.08 -0.56 -0.19 -0.89 -1.79 0.00 0.00 174.94 171.59 3i12 s THR 160 N -3.63 1.88 -0.06 8.37 2.01 -1.26 -1.32 115.64 121.62 3i12 s THR 160 Ca 0.21 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.26 3i12 s THR 160 Cb 0.06 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 3i12 s THR 160 CO 0.02 0.51 0.26 -0.76 -0.69 0.00 0.00 174.62 173.97 3i12 s LEU 161 N 1.04 4.42 0.41 4.42 1.43 0.23 -4.92 118.68 125.70 3i12 s LEU 161 Ca -0.03 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 3i12 s LEU 161 Cb -0.14 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 3i12 s LEU 161 CO -0.05 0.36 0.09 0.42 0.23 0.00 0.00 176.35 177.40 3i12 s THR 162 N -1.07 2.19 0.21 5.49 -4.23 -1.26 -0.59 115.64 116.38 3i12 s THR 162 Ca 0.20 -1.85 -0.10 0.00 -1.18 0.00 0.00 61.69 58.76 3i12 s THR 162 Cb -0.14 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.87 3i12 s THR 162 CO 0.09 -0.01 1.85 0.03 -0.54 0.00 0.00 174.62 176.04 3i12 h ARG 163 N 1.60 1.02 0.00 3.99 2.47 -1.98 -1.84 114.38 119.65 3i12 h ARG 163 Ca -0.43 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.17 3i12 h ARG 163 Cb 1.25 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3i12 h ARG 163 CO 0.75 0.72 -0.10 1.79 0.56 0.00 0.00 179.97 183.68 3i12 h THR 164 N 1.03 0.24 -0.01 2.04 1.35 -1.96 -3.27 112.91 112.32 3i12 h THR 164 Ca 0.27 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3i12 h THR 164 Cb -0.04 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3i12 h THR 164 CO -0.05 0.10 -0.12 -0.46 -0.25 0.00 0.00 175.52 174.74 3i12 n ASN 165 N -3.20 1.49 -0.18 5.36 2.04 -1.16 -4.80 115.26 114.81 3i12 n ASN 165 Ca 0.01 -1.25 0.19 0.00 -0.44 0.00 0.00 54.58 53.09 3i12 n ASN 165 Cb 0.41 0.28 0.55 0.00 -2.53 0.00 0.00 39.78 38.49 3i12 n ASN 165 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 3i12 h ARG 166 N 1.52 0.31 0.00 -3.83 2.43 -1.39 -2.17 114.38 111.25 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 0.39 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3i12 h ARG 166 CO 0.00 0.20 -0.95 0.72 -1.51 0.00 0.00 179.97 178.43 3i12 n HIS 167 N -4.45 0.00 -0.29 2.20 8.25 -1.26 -3.93 115.22 115.73 3i12 n HIS 167 Ca 0.16 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.64 3i12 n HIS 167 Cb 0.65 -0.07 0.09 0.00 1.12 0.00 0.00 29.99 31.78 3i12 n HIS 167 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i12 h ALA 168 N 2.16 0.46 -1.60 -1.41 0.00 -1.73 -3.37 119.26 113.77 3i12 h ALA 168 Ca 0.00 0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.65 3i12 h ALA 168 Cb 0.45 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 3i12 h ALA 168 CO 0.00 -0.45 0.85 -0.06 0.00 0.00 0.00 179.25 179.60 3i12 s PHE 169 N -6.20 2.60 0.45 0.00 0.08 -1.25 -5.01 117.98 108.65 3i12 s PHE 169 Ca -0.15 0.14 -0.08 0.00 0.12 0.00 0.00 56.93 56.97 3i12 s PHE 169 Cb 0.23 -4.40 -0.05 0.00 -0.57 0.00 0.00 43.02 38.22 3i12 s PHE 169 CO 0.75 -1.63 0.78 -1.54 -0.10 0.00 0.00 175.22 173.49 3i12 s SER 170 N 3.13 6.38 0.30 1.36 1.04 -1.26 -4.90 113.70 119.75 3i12 s SER 170 Ca 0.36 1.03 -0.00 0.00 0.48 0.00 0.00 55.95 57.82 3i12 s SER 170 Cb -0.10 -2.29 0.46 0.00 0.10 0.00 0.00 66.02 64.19 3i12 s SER 170 CO 0.21 -0.50 1.86 0.15 0.98 0.00 0.00 173.24 175.94 3i12 h PHE 171 N 0.69 0.82 -0.44 5.02 3.57 -1.96 -0.32 116.94 124.31 3i12 h PHE 171 Ca -0.47 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 60.87 3i12 h PHE 171 Cb 1.20 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3i12 h PHE 171 CO 0.60 0.66 -0.14 0.00 -2.23 0.00 0.00 178.31 177.20 3i12 h ALA 172 N 1.40 0.92 -0.60 2.41 0.00 -1.98 -0.03 119.26 121.39 3i12 h ALA 172 Ca 0.18 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3i12 h ALA 172 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i12 h ALA 172 CO -0.01 0.62 0.12 1.49 0.00 0.00 0.00 179.25 181.47 3i12 h GLU 173 N 0.74 0.98 -0.20 0.00 4.57 -1.55 0.29 114.58 119.42 3i12 h GLU 173 Ca 0.12 -0.25 -0.17 0.00 -1.18 0.00 0.00 59.36 57.87 3i12 h GLU 173 Cb 0.65 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3i12 h GLU 173 CO 0.05 0.92 -0.55 0.28 -1.18 0.00 0.00 179.01 178.52 3i12 h VAL 174 N 0.89 1.30 -0.87 0.32 2.07 -1.11 -2.78 116.25 116.07 3i12 h VAL 174 Ca 0.19 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 3i12 h VAL 174 Cb 0.39 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3i12 h VAL 174 CO 0.01 0.56 0.52 -0.08 0.02 0.00 0.00 177.57 178.60 3i12 h GLU 175 N 0.44 1.18 -0.75 1.57 4.81 -0.85 0.36 114.58 121.34 3i12 h GLU 175 Ca -0.01 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 3i12 h GLU 175 Cb 1.17 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 3i12 h GLU 175 CO 0.12 0.83 0.23 0.66 -0.73 0.00 0.00 179.01 180.12 3i12 h SER 176 N 1.19 1.09 -0.04 1.04 4.64 -0.96 0.24 113.55 120.75 3i12 h SER 176 Ca 0.31 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3i12 h SER 176 Cb -0.05 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.76 3i12 h SER 176 CO -0.06 1.01 -0.09 0.03 -0.87 0.00 0.00 176.83 176.85 3i12 h ARG 177 N 1.12 0.14 0.00 4.77 3.08 -1.12 -3.40 114.38 118.96 3i12 h ARG 177 Ca 0.24 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i12 h ARG 177 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3i12 h ARG 177 CO -0.01 0.68 -1.08 1.28 -1.07 0.00 0.00 179.97 179.77 3i12 n LEU 178 N -4.69 0.30 0.00 3.04 4.77 0.12 -5.07 117.00 115.47 3i12 n LEU 178 Ca -0.08 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3i12 n LEU 178 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3i12 n LEU 178 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3i12 n GLY 179 N 1.53 -2.19 3.26 -0.72 0.00 0.83 -4.56 105.19 103.34 3i12 n GLY 179 Ca 0.00 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 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 2.51 0.86 0.99 1.43 -1.26 -4.44 118.68 118.77 3i12 s LEU 180 Ca 0.00 -0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 52.02 3i12 s LEU 180 Cb 0.00 -0.44 0.11 0.00 0.03 0.00 0.00 46.19 45.89 3i12 s LEU 180 CO 0.00 -0.27 1.10 -2.16 0.23 0.00 0.00 176.35 175.25 3i12 s PRO 181 N -3.52 1.56 0.21 1.29 0.04 -1.26 -4.86 135.00 128.44 3i12 s PRO 181 Ca 0.16 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.46 3i12 s PRO 181 Cb 0.01 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 3i12 s PRO 181 CO 0.02 -2.14 0.06 -0.51 0.04 0.00 0.00 177.00 174.47 3i12 s LEU 182 N -6.24 3.47 -0.08 -3.56 1.43 -0.48 -1.73 118.68 111.50 3i12 s LEU 182 Ca 0.63 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3i12 s LEU 182 Cb -0.19 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3i12 s LEU 182 CO 0.57 0.04 -0.11 -0.36 0.23 0.00 0.00 176.35 176.72 3i12 s PHE 183 N -1.93 2.81 -0.17 0.29 0.08 0.11 -0.26 117.98 118.91 3i12 s PHE 183 Ca 0.30 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.12 3i12 s PHE 183 Cb -0.09 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3i12 s PHE 183 CO 0.21 0.11 -0.21 0.08 -0.10 0.00 0.00 175.22 175.31 3i12 s VAL 184 N -0.40 2.05 0.02 -0.44 1.01 0.63 -1.01 120.40 122.25 3i12 s VAL 184 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3i12 s VAL 184 Cb -0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3i12 s VAL 184 CO 0.02 0.54 -0.03 -1.59 0.00 0.00 0.00 175.10 174.04 3i12 s LYS 185 N 1.13 0.27 0.47 2.72 -2.85 0.72 -1.04 119.74 121.15 3i12 s LYS 185 Ca 0.01 -0.41 -0.24 0.00 -1.00 0.00 0.00 55.97 54.32 3i12 s LYS 185 Cb -0.14 -0.04 -0.08 0.00 -2.06 0.00 0.00 37.83 35.52 3i12 s LYS 185 CO -0.09 -0.00 1.39 -0.35 0.10 0.00 0.00 175.35 176.39 3i12 n PRO 186 N 2.14 2.05 -0.14 1.78 -0.05 -1.26 0.53 135.00 140.05 3i12 n PRO 186 Ca -0.19 0.74 -0.09 0.00 -0.05 0.00 0.00 63.50 63.91 3i12 n PRO 186 Cb 0.57 -2.57 -0.00 0.00 -0.05 0.00 0.00 33.50 31.44 3i12 n PRO 186 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3i12 h ALA 187 N 2.03 0.54 -3.85 0.55 0.00 -1.08 -3.39 119.26 114.07 3i12 h ALA 187 Ca -0.50 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 53.63 3i12 h ALA 187 Cb 1.28 -0.17 -0.37 0.00 0.00 0.00 0.00 17.79 18.54 3i12 h ALA 187 CO 0.60 0.10 -0.80 -0.80 0.00 0.00 0.00 179.25 178.35 3i12 s ASN 188 N -5.79 4.40 0.00 0.00 -0.87 -1.26 -1.50 114.94 109.92 3i12 s ASN 188 Ca -0.13 -1.38 0.00 0.00 -1.57 0.00 0.00 52.86 49.78 3i12 s ASN 188 Cb 0.11 -1.53 0.00 0.00 -0.02 0.00 0.00 41.25 39.81 3i12 s ASN 188 CO 0.75 -0.19 0.00 0.00 -2.57 0.00 0.00 177.10 175.09 3i12 n GLN 189 N 4.45 0.00 0.00 -0.60 3.00 -1.26 -4.68 117.38 118.28 3i12 n GLN 189 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 3i12 n GLN 189 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.66 3i12 n GLN 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i12 n GLY 190 N 0.90 4.84 2.42 1.08 0.00 -1.26 -4.88 105.19 108.29 3i12 n GLY 190 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 3i12 n GLY 190 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i12 n SER 191 N 0.00 -3.34 0.00 1.61 7.64 -1.26 -3.79 113.62 114.48 3i12 n SER 191 Ca 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3i12 n SER 191 Cb 0.00 -2.79 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 3i12 n SER 191 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i12 n SER 192 N -1.28 0.00 -4.67 6.43 7.64 -1.26 -4.79 113.62 115.69 3i12 n SER 192 Ca -0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.40 3i12 n SER 192 Cb 0.55 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 3i12 n SER 192 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i12 s VAL 193 N -0.19 4.42 0.00 0.44 1.01 -1.25 0.17 120.40 125.01 3i12 s VAL 193 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3i12 s VAL 193 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3i12 s VAL 193 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 3i12 n GLY 194 N 3.47 0.64 3.75 4.51 0.00 -1.26 -4.74 105.19 111.55 3i12 n GLY 194 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3i12 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i12 s VAL 195 N -2.56 4.54 -0.02 1.61 1.01 0.13 -4.33 120.40 120.77 3i12 s VAL 195 Ca 0.00 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.78 3i12 s VAL 195 Cb 0.00 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3i12 s VAL 195 CO 0.00 0.40 -0.03 -0.44 0.00 0.00 0.00 175.10 175.03 3i12 s SER 196 N -0.39 0.55 -0.10 3.32 0.01 -0.21 -4.97 113.70 111.91 3i12 s SER 196 Ca 0.40 -0.07 -0.21 0.00 1.31 0.00 0.00 55.95 57.38 3i12 s SER 196 Cb -0.22 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 3i12 s SER 196 CO 0.26 -0.02 0.60 -0.75 0.41 0.00 0.00 173.24 173.74 3i12 s LYS 197 N 0.47 4.37 -0.12 12.44 2.20 -1.26 -0.27 119.74 137.57 3i12 s LYS 197 Ca -0.05 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.26 3i12 s LYS 197 Cb -0.08 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3i12 s LYS 197 CO -0.01 0.07 -0.21 0.08 -0.36 0.00 0.00 175.35 174.92 3i12 s VAL 198 N 0.85 1.97 -1.02 4.02 1.01 0.64 -4.98 120.40 122.88 3i12 s VAL 198 Ca 0.32 -0.94 0.13 0.00 0.00 0.00 0.00 61.98 61.49 3i12 s VAL 198 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3i12 s VAL 198 CO 0.14 0.53 0.68 0.00 0.00 0.00 0.00 175.10 176.45 3i12 n ALA 199 N 3.92 3.17 -3.75 5.51 0.00 -1.26 -1.38 120.51 126.72 3i12 n ALA 199 Ca -0.20 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 3i12 n ALA 199 Cb 0.52 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.77 -0.18 0.26 0.00 2.20 -1.26 -4.98 114.94 109.20 3i12 s ASN 200 Ca 0.09 -0.40 -0.04 0.00 -0.94 0.00 0.00 52.86 51.57 3i12 s ASN 200 Cb 0.10 0.49 0.52 0.00 -2.00 0.00 0.00 41.25 40.36 3i12 s ASN 200 CO 0.38 -0.90 1.65 -0.08 -2.94 0.00 0.00 177.10 175.20 3i12 h GLU 201 N 2.00 0.17 -0.36 3.55 4.22 -1.97 0.13 114.58 122.31 3i12 h GLU 201 Ca -0.24 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.13 3i12 h GLU 201 Cb 1.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3i12 h GLU 201 CO 0.25 0.11 -0.03 0.00 -2.18 0.00 0.00 179.01 177.17 3i12 h ALA 202 N 1.70 0.48 -0.47 2.92 0.00 -2.00 -2.67 119.26 119.22 3i12 h ALA 202 Ca 0.45 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3i12 h ALA 202 Cb 0.83 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3i12 h ALA 202 CO -0.63 0.28 -0.08 1.96 0.00 0.00 0.00 179.25 180.79 3i12 h GLN 203 N 0.45 0.83 0.01 0.00 4.20 -1.63 -2.76 115.11 116.22 3i12 h GLN 203 Ca 0.10 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3i12 h GLN 203 Cb 0.50 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3i12 h GLN 203 CO 0.02 0.89 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.14 3i12 h TYR 204 N 0.76 -0.01 -0.05 2.96 3.20 -0.53 0.21 116.97 123.50 3i12 h TYR 204 Ca 0.13 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 3i12 h TYR 204 Cb 0.57 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3i12 h TYR 204 CO 0.03 0.07 -0.43 1.96 -1.64 0.00 0.00 178.16 178.16 3i12 h GLN 205 N -0.09 0.12 -0.38 1.82 4.20 -1.42 -0.08 115.11 119.27 3i12 h GLN 205 Ca -0.00 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 3i12 h GLN 205 Cb 0.09 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3i12 h GLN 205 CO 0.00 0.53 -0.05 0.37 -0.67 0.00 0.00 178.83 179.01 3i12 h GLN 206 N 0.10 0.70 -0.48 1.46 5.75 -1.19 -2.78 115.11 118.68 3i12 h GLN 206 Ca 0.01 -0.25 -0.10 0.00 -0.15 0.00 0.00 58.65 58.16 3i12 h GLN 206 Cb 0.80 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 3i12 h GLN 206 CO 0.06 0.83 -0.08 0.00 -2.65 0.00 0.00 178.83 176.99 3i12 h ALA 207 N 0.85 0.66 -0.39 3.38 0.00 0.07 -1.72 119.26 122.11 3i12 h ALA 207 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3i12 h ALA 207 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i12 h ALA 207 CO 0.03 0.53 0.11 0.28 0.00 0.00 0.00 179.25 180.20 3i12 h VAL 208 N 0.75 1.22 -0.51 0.00 2.07 -1.11 -1.23 116.25 117.45 3i12 h VAL 208 Ca 0.13 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3i12 h VAL 208 Cb 0.62 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3i12 h VAL 208 CO 0.04 0.26 0.01 0.00 0.02 0.00 0.00 177.57 177.90 3i12 h ALA 209 N 0.96 1.07 -0.10 1.67 0.00 -1.32 -2.27 119.26 119.26 3i12 h ALA 209 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3i12 h ALA 209 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i12 h ALA 209 CO -0.00 0.59 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 3i12 h LEU 210 N 0.79 0.19 -1.46 0.00 5.85 -1.10 -2.95 115.31 116.63 3i12 h LEU 210 Ca 0.15 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3i12 h LEU 210 Cb 0.45 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3i12 h LEU 210 CO 0.02 0.51 0.38 0.00 -0.34 0.00 0.00 178.44 179.01 3i12 h ALA 211 N 0.69 1.64 0.00 1.25 0.00 -1.06 -0.02 119.26 121.76 3i12 h ALA 211 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i12 h ALA 211 Cb 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i12 h ALA 211 CO 0.01 0.31 0.00 1.19 0.00 0.00 0.00 179.25 180.76 3i12 n PHE 212 N -4.46 0.00 0.46 0.00 3.01 -0.87 -1.07 117.46 114.53 3i12 n PHE 212 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.64 3i12 n PHE 212 Cb 0.09 -0.37 0.22 0.00 -0.01 0.00 0.00 39.48 39.40 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 -0.85 -3.37 114.58 114.36 3i12 h GLU 213 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3i12 h GLU 213 Cb 0.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3i12 h GLU 213 CO 0.00 0.00 -1.88 1.19 -1.00 0.00 0.00 179.01 177.32 3i12 n PHE 214 N -2.41 0.00 -4.05 4.33 3.72 -0.23 -5.05 117.46 113.76 3i12 n PHE 214 Ca 0.04 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.34 3i12 n PHE 214 Cb 0.47 -0.60 -0.07 0.00 -0.94 0.00 0.00 39.48 38.34 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 -4.47 0.01 0.00 4.37 2.15 -0.93 -4.93 116.67 112.88 3i12 s ASP 215 Ca -0.06 -1.06 0.21 0.00 0.43 0.00 0.00 52.55 52.07 3i12 s ASP 215 Cb 0.05 0.49 0.74 0.00 -0.30 0.00 0.00 42.92 43.90 3i12 s ASP 215 CO 0.57 -0.99 1.54 1.41 -0.17 0.00 0.00 175.17 177.53 3i12 n HIS 216 N -0.31 0.22 -3.83 -5.34 8.25 -1.26 -4.36 115.22 108.59 3i12 n HIS 216 Ca -0.02 -0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 3i12 n HIS 216 Cb 0.63 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.60 3i12 n HIS 216 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3i12 s LYS 217 N -1.78 0.04 -0.06 -0.41 2.20 -1.26 -3.85 119.74 114.62 3i12 s LYS 217 Ca 0.32 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 3i12 s LYS 217 Cb 0.18 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.46 3i12 s LYS 217 CO 0.26 -0.06 -0.12 0.08 -0.36 0.00 0.00 175.35 175.16 3i12 s VAL 218 N 0.35 1.09 -0.15 4.02 1.01 0.25 -0.41 120.40 126.56 3i12 s VAL 218 Ca -0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 3i12 s VAL 218 Cb -0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3i12 s VAL 218 CO -0.01 0.34 0.26 -0.69 0.00 0.00 0.00 175.10 175.00 3i12 s VAL 219 N 0.62 5.32 -0.21 2.92 1.01 0.19 0.74 120.40 131.00 3i12 s VAL 219 Ca -0.13 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3i12 s VAL 219 Cb -0.15 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.68 3i12 s VAL 219 CO 0.03 0.44 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 3i12 s VAL 220 N 0.16 2.06 0.00 2.92 1.01 -0.44 -0.20 120.40 125.92 3i12 s VAL 220 Ca 0.15 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 61.02 3i12 s VAL 220 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3i12 s VAL 220 CO 0.04 0.32 -0.21 -1.61 0.00 0.00 0.00 175.10 173.64 3i12 s GLU 221 N 1.23 2.14 0.26 2.72 2.02 -0.18 -0.66 118.70 126.25 3i12 s GLU 221 Ca -0.00 -0.92 -0.31 0.00 0.02 0.00 0.00 54.97 53.76 3i12 s GLU 221 Cb -0.16 -2.16 -0.11 0.00 0.10 0.00 0.00 34.13 31.80 3i12 s GLU 221 CO -0.10 0.56 1.63 -1.14 0.02 0.00 0.00 175.26 176.24 3i12 s GLN 222 N -1.02 4.13 0.15 1.61 0.74 0.51 -0.71 119.66 125.07 3i12 s GLN 222 Ca 0.12 2.58 -0.30 0.00 0.05 0.00 0.00 55.36 57.81 3i12 s GLN 222 Cb -0.10 -3.04 -0.07 0.00 1.10 0.00 0.00 33.01 30.89 3i12 s GLN 222 CO 0.02 -0.67 1.15 0.20 -0.55 0.00 0.00 175.29 175.44 3i12 s GLY 223 N 0.73 2.70 -0.10 2.59 0.00 -0.70 -4.70 107.32 107.85 3i12 s GLY 223 Ca 0.67 0.86 -0.02 0.00 0.00 0.00 0.00 44.72 46.24 3i12 s GLY 223 CO 0.42 1.80 -0.02 -0.42 0.00 0.00 0.00 173.10 174.88 3i12 s ILE 224 N 0.10 4.07 -0.26 0.90 -1.09 -1.26 -4.89 121.20 118.78 3i12 s ILE 224 Ca 0.52 -0.33 -0.10 0.00 -2.23 0.00 0.00 60.65 58.51 3i12 s ILE 224 Cb -0.30 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.81 3i12 s ILE 224 CO 0.34 0.58 0.16 -0.54 -1.23 0.00 0.00 174.94 174.25 3i12 s LYS 225 N -0.57 3.97 0.00 2.79 3.01 -1.26 -5.04 119.74 122.65 3i12 s LYS 225 Ca 0.09 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 54.74 3i12 s LYS 225 Cb -0.12 -3.56 0.00 0.00 -1.01 0.00 0.00 37.83 33.14 3i12 s LYS 225 CO 0.02 -0.06 0.00 0.41 0.51 0.00 0.00 175.35 176.23 3i12 n GLY 226 N 4.65 1.13 3.84 -3.33 0.00 -1.26 -4.38 105.19 105.84 3i12 n GLY 226 Ca -0.15 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 3i12 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i12 s ARG 227 N -2.00 3.95 -0.33 1.61 0.52 0.67 -4.70 118.95 118.67 3i12 s ARG 227 Ca 0.00 0.94 -0.12 0.00 -0.52 0.00 0.00 55.73 56.03 3i12 s ARG 227 Cb 0.00 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 3i12 s ARG 227 CO 0.00 -0.25 0.23 -1.21 0.02 0.00 0.00 175.30 174.09 3i12 s GLU 228 N -4.03 3.56 0.09 3.54 2.02 -1.26 -0.31 118.70 122.31 3i12 s GLU 228 Ca 0.59 -0.60 0.09 0.00 0.02 0.00 0.00 54.97 55.07 3i12 s GLU 228 Cb -0.10 -3.77 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 3i12 s GLU 228 CO 0.31 -0.40 -0.23 0.42 0.02 0.00 0.00 175.26 175.37 3i12 s ILE 229 N 1.72 1.92 0.04 -1.63 -1.09 -0.10 -1.92 121.20 120.15 3i12 s ILE 229 Ca 0.06 -1.51 0.02 0.00 -2.23 0.00 0.00 60.65 56.99 3i12 s ILE 229 Cb -0.17 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 3i12 s ILE 229 CO 0.10 0.10 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.23 3i12 s GLU 230 N -1.70 0.52 -0.04 2.79 2.02 0.35 -0.45 118.70 122.19 3i12 s GLU 230 Ca 0.10 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 3i12 s GLU 230 Cb -0.10 -0.32 0.02 0.00 0.10 0.00 0.00 34.13 33.83 3i12 s GLU 230 CO 0.04 0.06 0.09 0.00 0.02 0.00 0.00 175.26 175.47 3i12 s ALA 232 N 0.69 3.52 -0.08 0.00 0.00 -1.26 -0.26 121.76 124.37 3i12 s ALA 232 Ca -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.60 3i12 s ALA 232 Cb -0.07 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 3i12 s ALA 232 CO -0.03 -0.10 -0.12 0.08 0.00 0.00 0.00 175.76 175.59 3i12 s VAL 233 N 0.88 3.25 -0.05 0.00 1.01 0.20 -0.83 120.40 124.85 3i12 s VAL 233 Ca 0.23 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3i12 s VAL 233 Cb -0.15 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3i12 s VAL 233 CO 0.09 0.57 -0.11 -0.22 0.00 0.00 0.00 175.10 175.43 3i12 s LEU 234 N -0.44 1.64 0.00 3.92 2.96 -0.20 -2.22 118.68 124.35 3i12 s LEU 234 Ca 0.06 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3i12 s LEU 234 Cb -0.12 -0.74 0.00 0.00 0.50 0.00 0.00 46.19 45.83 3i12 s LEU 234 CO 0.02 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 3i12 n GLY 235 N 3.71 0.59 0.00 7.98 0.00 -0.37 -0.95 105.19 116.15 3i12 n GLY 235 Ca -0.22 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.61 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 0.98 0.00 -0.11 1.61 3.02 -1.26 -1.25 115.26 118.25 3i12 n ASN 236 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 3i12 n ASN 236 Cb 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 3i12 n ASN 236 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3i12 h ASP 237 N 0.00 0.85 -2.46 6.41 3.32 -1.97 -3.35 116.42 119.22 3i12 h ASP 237 Ca 0.00 -0.31 -0.67 0.00 0.02 0.00 0.00 57.03 56.07 3i12 h ASP 237 Cb 0.00 -0.23 -0.37 0.00 0.22 0.00 0.00 39.33 38.94 3i12 h ASP 237 CO 0.00 1.04 -0.11 0.59 -1.72 0.00 0.00 179.24 179.04 3i12 n ASN 238 N -4.11 4.69 -4.77 6.45 4.13 -1.26 -5.06 115.26 115.33 3i12 n ASN 238 Ca 0.00 -3.43 -0.37 0.00 1.68 0.00 0.00 54.58 52.46 3i12 n ASN 238 Cb 0.44 -0.88 -0.00 0.00 -1.54 0.00 0.00 39.78 37.79 3i12 n ASN 238 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i12 s PRO 239 N -2.57 3.70 -0.02 3.52 0.04 -1.26 -4.88 135.00 133.52 3i12 s PRO 239 Ca 0.37 1.88 0.06 0.00 0.04 0.00 0.00 61.00 63.34 3i12 s PRO 239 Cb 0.11 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 3i12 s PRO 239 CO 0.03 -0.63 -0.19 -0.65 0.04 0.00 0.00 177.00 175.60 3i12 s GLN 240 N -2.67 2.29 -0.19 4.56 -1.52 -0.12 -4.94 119.66 117.08 3i12 s GLN 240 Ca 0.64 -0.82 -0.08 0.00 -1.95 0.00 0.00 55.36 53.14 3i12 s GLN 240 Cb -0.31 -2.23 -0.04 0.00 -0.22 0.00 0.00 33.01 30.20 3i12 s GLN 240 CO 0.38 0.59 0.08 0.00 -0.25 0.00 0.00 175.29 176.09 3i12 s ALA 241 N -0.72 3.49 1.24 6.09 0.00 -1.26 -1.03 121.76 129.57 3i12 s ALA 241 Ca 0.11 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 3i12 s ALA 241 Cb -0.10 -1.99 0.30 0.00 0.00 0.00 0.00 23.12 21.33 3i12 s ALA 241 CO 0.01 0.18 1.09 -1.54 0.00 0.00 0.00 175.76 175.49 3i12 s SER 242 N 0.36 0.58 0.65 0.00 1.04 -0.01 -5.01 113.70 111.31 3i12 s SER 242 Ca 0.04 0.62 -0.15 0.00 0.48 0.00 0.00 55.95 56.95 3i12 s SER 242 Cb -0.12 -0.85 -0.01 0.00 0.10 0.00 0.00 66.02 65.15 3i12 s SER 242 CO -0.01 -4.33 1.10 0.28 0.98 0.00 0.00 173.24 171.27 3i12 s THR 243 N -2.93 3.33 0.60 2.02 -1.32 -1.26 -4.72 115.64 111.35 3i12 s THR 243 Ca 0.71 0.62 -0.16 0.00 -1.21 0.00 0.00 61.69 61.65 3i12 s THR 243 Cb -0.09 -3.14 -0.03 0.00 -1.51 0.00 0.00 72.50 67.72 3i12 s THR 243 CO 0.56 -0.38 1.06 0.00 -2.21 0.00 0.00 174.62 173.65 3i12 s GLY 245 N -2.81 1.02 0.09 0.00 0.00 -0.44 -1.15 107.32 104.02 3i12 s GLY 245 Ca 0.63 -1.38 0.07 0.00 0.00 0.00 0.00 44.72 44.04 3i12 s GLY 245 CO 0.37 -1.47 -0.18 1.85 0.00 0.00 0.00 173.10 173.68 3i12 s GLU 246 N -3.30 1.00 -0.38 2.90 2.12 -0.29 -0.50 118.70 120.24 3i12 s GLU 246 Ca 0.12 -1.07 0.01 0.00 0.36 0.00 0.00 54.97 54.40 3i12 s GLU 246 Cb -0.00 -1.15 0.11 0.00 0.26 0.00 0.00 34.13 33.34 3i12 s GLU 246 CO 0.01 0.26 0.12 0.96 -0.54 0.00 0.00 175.26 176.08 3i12 s ILE 247 N -1.20 2.69 -0.47 -3.70 -4.36 -0.81 -0.24 121.20 113.12 3i12 s ILE 247 Ca 0.03 -2.29 -0.26 0.00 -0.26 0.00 0.00 60.65 57.87 3i12 s ILE 247 Cb -0.10 -2.92 0.03 0.00 1.25 0.00 0.00 42.46 40.72 3i12 s ILE 247 CO 0.03 -0.65 0.97 -0.69 0.24 0.00 0.00 174.94 174.84 3i12 s VAL 248 N 0.93 4.42 0.26 8.37 1.01 0.13 -4.54 120.40 130.97 3i12 s VAL 248 Ca 0.10 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 3i12 s VAL 248 Cb -0.21 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 31.61 3i12 s VAL 248 CO -0.06 -0.88 1.08 -0.76 0.00 0.00 0.00 175.10 174.48 3i12 s LEU 249 N 3.90 4.56 0.82 3.92 1.02 -1.26 0.08 118.68 131.72 3i12 s LEU 249 Ca 0.39 2.20 -0.11 0.00 0.02 0.00 0.00 54.13 56.64 3i12 s LEU 249 Cb -0.09 -3.62 0.12 0.00 0.02 0.00 0.00 46.19 42.61 3i12 s LEU 249 CO 0.27 -0.11 1.16 -0.83 0.02 0.00 0.00 176.35 176.87 3i12 s GLY 265 N -0.83 1.70 -0.04 -3.19 0.00 -1.26 -4.93 107.32 98.77 3i12 s GLY 265 Ca 0.45 -1.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 3i12 s GLY 265 CO 0.39 -0.46 -0.03 0.00 0.00 0.00 0.00 173.10 173.00 3i12 h ALA 266 N -1.08 0.00 -3.23 3.20 0.00 -1.88 -3.48 119.26 112.80 3i12 h ALA 266 Ca -0.44 -0.16 -0.51 0.00 0.00 0.00 0.00 54.91 53.80 3i12 h ALA 266 Cb 1.29 0.09 -0.38 0.00 0.00 0.00 0.00 17.79 18.79 3i12 h ALA 266 CO 0.52 0.09 -0.79 -0.65 0.00 0.00 0.00 179.25 178.41 3i12 s GLN 267 N -1.32 1.22 -0.22 0.00 -0.21 0.11 -4.97 119.66 114.28 3i12 s GLN 267 Ca -0.02 -0.22 -0.29 0.00 0.02 0.00 0.00 55.36 54.85 3i12 s GLN 267 Cb 0.00 -1.53 -0.01 0.00 1.00 0.00 0.00 33.01 32.48 3i12 s GLN 267 CO 0.04 -0.33 1.23 0.08 -2.12 0.00 0.00 175.29 174.19 3i12 s VAL 268 N 1.77 4.31 -0.25 1.09 1.01 -1.26 0.17 120.40 127.24 3i12 s VAL 268 Ca 0.04 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 3i12 s VAL 268 Cb -0.13 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.17 3i12 s VAL 268 CO -0.07 -0.25 -0.06 -0.69 0.00 0.00 0.00 175.10 174.03 3i12 s VAL 269 N 3.70 2.91 -0.08 2.92 1.01 0.67 -4.97 120.40 126.56 3i12 s VAL 269 Ca 0.53 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3i12 s VAL 269 Cb -0.19 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3i12 s VAL 269 CO 0.16 0.19 -0.13 -0.69 0.00 0.00 0.00 175.10 174.63 3i12 s VAL 270 N 1.33 1.24 0.75 2.92 1.01 -1.26 -1.14 120.40 125.25 3i12 s VAL 270 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3i12 s VAL 270 Cb -0.17 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.12 3i12 s VAL 270 CO -0.04 0.38 1.11 -2.84 0.00 0.00 0.00 175.10 173.71 3i12 s PRO 271 N 0.78 2.32 0.20 2.72 0.02 -1.26 -5.06 135.00 134.72 3i12 s PRO 271 Ca -0.12 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 61.89 3i12 s PRO 271 Cb -0.16 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 3i12 s PRO 271 CO 0.02 -1.61 1.10 0.00 -0.33 0.00 0.00 177.00 176.18 3i12 s ALA 272 N -2.67 3.38 -1.17 -1.55 0.00 -0.30 -4.85 121.76 114.59 3i12 s ALA 272 Ca 0.64 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 3i12 s ALA 272 Cb -0.19 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 3i12 s ALA 272 CO 0.51 -0.19 1.90 1.04 0.00 0.00 0.00 175.76 179.02 3i12 n GLN 273 N 2.12 2.10 -4.24 0.00 1.13 -1.26 -4.90 117.38 112.32 3i12 n GLN 273 Ca 0.02 -2.60 -0.16 0.00 -1.94 0.00 0.00 57.00 52.33 3i12 n GLN 273 Cb 0.46 -3.51 -0.10 0.00 0.11 0.00 0.00 30.24 27.19 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 7.76 1.22 0.27 5.09 -4.36 -1.26 -5.11 121.20 124.82 3i12 s ILE 274 Ca 0.61 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.79 3i12 s ILE 274 Cb 0.04 -1.69 -0.12 0.00 1.25 0.00 0.00 42.46 41.94 3i12 s ILE 274 CO 0.10 -0.61 1.49 -2.65 0.24 0.00 0.00 174.94 173.52 3i12 n PRO 275 N 0.12 2.38 -0.33 0.37 -0.02 -1.26 -4.77 135.00 131.49 3i12 n PRO 275 Ca -0.12 0.85 0.35 0.00 -2.02 0.00 0.00 63.50 62.55 3i12 n PRO 275 Cb 0.59 -2.56 0.75 0.00 -0.02 0.00 0.00 33.50 32.26 3i12 n PRO 275 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i12 h SER 276 N 4.37 0.01 1.25 2.55 0.87 -1.99 0.23 113.55 120.85 3i12 h SER 276 Ca -0.46 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.97 3i12 h SER 276 Cb 1.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 3i12 h SER 276 CO 0.76 0.00 -0.77 -0.33 -0.53 0.00 0.00 176.83 175.96 3i12 h GLU 277 N 0.01 0.00 -0.08 2.24 4.39 -1.99 -2.10 114.58 117.05 3i12 h GLU 277 Ca 0.57 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 60.04 3i12 h GLU 277 Cb 2.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.93 3i12 h GLU 277 CO -0.01 0.53 -0.87 0.28 -1.16 0.00 0.00 179.01 177.78 3i12 h VAL 278 N 0.00 1.30 -0.13 3.13 2.07 -0.97 -1.17 116.25 120.48 3i12 h VAL 278 Ca -0.04 -2.12 0.05 0.00 0.82 0.00 0.00 66.70 65.40 3i12 h VAL 278 Cb 1.49 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 33.36 3i12 h VAL 278 CO 0.07 0.66 -0.23 -1.13 0.02 0.00 0.00 177.57 176.96 3i12 h ASN 279 N 0.44 -0.72 -0.75 0.57 -1.24 -1.13 0.31 115.58 113.05 3i12 h ASN 279 Ca -0.08 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3i12 h ASN 279 Cb 1.50 0.32 -0.04 0.00 0.73 0.00 0.00 38.32 40.84 3i12 h ASN 279 CO 0.17 -0.28 0.47 0.44 -1.29 0.00 0.00 177.43 176.94 3i12 h ASP 280 N -0.29 0.89 0.04 1.15 3.32 -1.39 -1.14 116.42 119.00 3i12 h ASP 280 Ca 0.10 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3i12 h ASP 280 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3i12 h ASP 280 CO -0.30 0.67 -0.02 0.50 -1.72 0.00 0.00 179.24 178.37 3i12 h LYS 281 N 1.03 -0.05 -0.97 3.56 3.64 -0.07 -1.57 116.57 122.14 3i12 h LYS 281 Ca 0.27 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3i12 h LYS 281 Cb -0.07 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 3i12 h LYS 281 CO -0.05 0.10 0.64 0.82 -2.27 0.00 0.00 179.45 178.68 3i12 h ILE 282 N -0.18 1.25 -0.68 2.00 2.04 -0.83 -2.25 117.51 118.86 3i12 h ILE 282 Ca -0.01 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3i12 h ILE 282 Cb 0.17 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 3i12 h ILE 282 CO 0.01 0.24 0.21 0.03 0.00 0.00 0.00 178.15 178.64 3i12 h ARG 283 N 1.31 1.06 -0.36 2.37 3.08 -0.80 0.60 114.38 121.64 3i12 h ARG 283 Ca 0.35 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3i12 h ARG 283 Cb -0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 3i12 h ARG 283 CO -0.08 0.92 0.07 0.00 -1.07 0.00 0.00 179.97 179.82 3i12 h ALA 284 N 1.09 0.47 -0.61 0.04 0.00 -1.07 -1.82 119.26 117.36 3i12 h ALA 284 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i12 h ALA 284 Cb 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3i12 h ALA 284 CO -0.01 0.16 0.32 0.82 0.00 0.00 0.00 179.25 180.54 3i12 h ILE 285 N 0.43 1.19 -0.38 0.00 2.04 -1.08 -1.38 117.51 118.34 3i12 h ILE 285 Ca 0.11 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3i12 h ILE 285 Cb 0.33 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3i12 h ILE 285 CO 0.00 0.22 0.21 0.00 0.00 0.00 0.00 178.15 178.58 3i12 h ALA 286 N 1.49 0.47 -0.32 1.87 0.00 -0.61 0.76 119.26 122.93 3i12 h ALA 286 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3i12 h ALA 286 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i12 h ALA 286 CO -0.03 -0.15 0.12 0.82 0.00 0.00 0.00 179.25 180.01 3i12 h ILE 287 N 0.42 1.19 -0.84 0.00 1.08 -0.89 -1.39 117.51 117.07 3i12 h ILE 287 Ca 0.16 -0.58 0.04 0.00 -0.39 0.00 0.00 64.86 64.09 3i12 h ILE 287 Cb 0.04 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 3i12 h ILE 287 CO -0.09 0.20 0.53 1.56 -0.69 0.00 0.00 178.15 179.66 3i12 h GLN 288 N 0.36 0.99 -0.50 2.37 4.20 -0.64 0.73 115.11 122.62 3i12 h GLN 288 Ca 0.11 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 3i12 h GLN 288 Cb 0.20 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3i12 h GLN 288 CO -0.01 0.65 -0.20 0.00 -0.67 0.00 0.00 178.83 178.60 3i12 h ALA 289 N 1.37 0.70 -0.62 3.87 0.00 -0.58 0.14 119.26 124.14 3i12 h ALA 289 Ca 0.35 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i12 h ALA 289 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3i12 h ALA 289 CO -0.14 0.68 0.41 -0.92 0.00 0.00 0.00 179.25 179.28 3i12 h TYR 290 N 0.88 0.77 -0.09 0.00 5.03 -0.57 0.18 116.97 123.17 3i12 h TYR 290 Ca 0.12 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 3i12 h TYR 290 Cb 0.78 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.80 3i12 h TYR 290 CO 0.05 0.49 0.02 1.96 -1.32 0.00 0.00 178.16 179.36 3i12 h GLN 291 N 0.83 0.15 -0.80 1.82 4.20 -0.70 -1.69 115.11 118.93 3i12 h GLN 291 Ca 0.23 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.94 3i12 h GLN 291 Cb -0.09 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 3i12 h GLN 291 CO -0.05 0.34 0.52 1.15 -0.67 0.00 0.00 178.83 180.13 3i12 h THR 292 N -0.07 1.12 -0.04 -0.54 2.02 -0.26 -1.11 112.91 114.03 3i12 h THR 292 Ca 0.03 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3i12 h THR 292 Cb 0.26 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3i12 h THR 292 CO 0.00 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.25 3i12 n LEU 293 N -4.45 1.18 -1.34 2.58 7.99 0.01 -4.95 117.00 118.01 3i12 n LEU 293 Ca 0.10 -0.42 -0.13 0.00 -0.01 0.00 0.00 56.01 55.56 3i12 n LEU 293 Cb 0.12 -0.02 -0.02 0.00 -0.11 0.00 0.00 43.42 43.39 3i12 n LEU 293 CO 0.35 0.21 -0.16 0.61 -1.51 0.00 0.00 177.39 176.89 3i12 n GLY 294 N 1.12 0.36 3.69 -0.72 0.00 -0.42 -4.44 105.19 104.79 3i12 n GLY 294 Ca 0.19 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.73 0.02 0.00 0.00 0.00 -1.26 -4.90 121.76 112.89 3i12 s ALA 296 Ca 0.65 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3i12 s ALA 296 Cb -0.21 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3i12 s ALA 296 CO 0.58 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.38 3i12 n GLY 297 N 0.49 0.32 3.34 0.00 0.00 -0.38 -2.24 105.19 106.73 3i12 n GLY 297 Ca -0.17 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 1.11 -0.10 1.61 0.00 -1.26 -1.23 119.30 119.43 3i12 s MET 298 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 55.69 54.62 3i12 s MET 298 Cb 0.00 0.46 0.11 0.00 0.00 0.00 0.00 34.83 35.41 3i12 s MET 298 CO 0.00 -0.44 0.92 0.00 0.00 0.00 0.00 175.02 175.50 3i12 s ALA 299 N -3.83 -1.88 -0.12 3.16 0.00 -0.94 -4.66 121.76 113.48 3i12 s ALA 299 Ca 0.05 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 3i12 s ALA 299 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3i12 s ALA 299 CO -0.10 -0.42 -0.02 0.50 0.00 0.00 0.00 175.76 175.72 3i12 s ARG 300 N -1.68 3.37 -0.24 0.00 3.52 -0.42 -0.63 118.95 122.88 3i12 s ARG 300 Ca -0.01 -0.47 -0.08 0.00 -0.13 0.00 0.00 55.73 55.04 3i12 s ARG 300 Cb -0.01 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 3i12 s ARG 300 CO -0.00 0.44 0.09 0.08 -0.81 0.00 0.00 175.30 175.10 3i12 s VAL 301 N -0.17 4.57 -0.18 7.11 1.01 0.64 -0.79 120.40 132.59 3i12 s VAL 301 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 3i12 s VAL 301 Cb -0.13 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3i12 s VAL 301 CO 0.02 0.35 0.03 -1.81 0.00 0.00 0.00 175.10 173.70 3i12 s ASP 302 N 1.36 5.28 0.16 3.32 1.01 0.05 -1.41 116.67 126.45 3i12 s ASP 302 Ca 0.05 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.32 3i12 s ASP 302 Cb -0.15 -1.90 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 3i12 s ASP 302 CO 0.04 0.14 -0.06 0.68 0.21 0.00 0.00 175.17 176.18 3i12 s VAL 303 N 0.57 1.04 -0.17 -1.27 -7.23 0.40 0.11 120.40 113.85 3i12 s VAL 303 Ca 0.01 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.07 3i12 s VAL 303 Cb -0.13 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3i12 s VAL 303 CO 0.02 -0.63 0.08 -0.36 -0.31 0.00 0.00 175.10 173.89 3i12 s PHE 304 N -3.41 3.30 -0.41 2.82 0.08 0.12 -0.92 117.98 119.55 3i12 s PHE 304 Ca 0.20 0.16 -0.10 0.00 0.12 0.00 0.00 56.93 57.31 3i12 s PHE 304 Cb 0.04 -2.06 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 3i12 s PHE 304 CO 0.02 0.25 0.26 -1.17 -0.10 0.00 0.00 175.22 174.48 3i12 s LEU 305 N 0.17 5.11 0.66 -0.37 2.96 0.58 -0.97 118.68 126.81 3i12 s LEU 305 Ca 0.05 -1.39 -0.11 0.00 -0.22 0.00 0.00 54.13 52.46 3i12 s LEU 305 Cb -0.12 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3i12 s LEU 305 CO 0.00 -0.52 1.05 0.42 -1.32 0.00 0.00 176.35 175.98 3i12 s THR 306 N 1.47 4.31 -1.81 3.68 -4.23 0.11 -0.24 115.64 118.93 3i12 s THR 306 Ca 0.03 0.77 0.10 0.00 -1.18 0.00 0.00 61.69 61.41 3i12 s THR 306 Cb -0.22 -3.60 0.26 0.00 1.34 0.00 0.00 72.50 70.28 3i12 s THR 306 CO 0.03 -0.96 1.11 0.00 -0.54 0.00 0.00 174.62 174.27 3i12 n ALA 307 N -2.90 1.81 -0.65 3.99 0.00 -1.26 0.13 120.51 121.63 3i12 n ALA 307 Ca 0.07 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.54 3i12 n ALA 307 Cb 0.54 -1.17 0.33 0.00 0.00 0.00 0.00 19.45 19.15 3i12 n ALA 307 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i12 n ASP 308 N -1.09 4.57 -2.13 0.00 8.00 -1.26 -4.96 116.55 119.69 3i12 n ASP 308 Ca 0.07 -2.51 -0.13 0.00 0.71 0.00 0.00 54.79 52.94 3i12 n ASP 308 Cb 0.05 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.58 3i12 n ASP 308 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i12 n ASN 309 N 0.84 -3.78 -4.76 -2.24 4.13 0.35 -4.98 115.26 104.82 3i12 n ASN 309 Ca 0.24 0.22 -0.41 0.00 1.68 0.00 0.00 54.58 56.32 3i12 n ASN 309 Cb 0.87 -3.30 -0.02 0.00 -1.54 0.00 0.00 39.78 35.79 3i12 n ASN 309 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3i12 s GLU 310 N -4.45 4.28 -0.35 3.52 2.02 -1.25 -4.79 118.70 117.67 3i12 s GLU 310 Ca 0.00 2.31 -0.14 0.00 0.02 0.00 0.00 54.97 57.16 3i12 s GLU 310 Cb 0.00 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 3i12 s GLU 310 CO 0.00 -0.35 0.30 0.08 0.02 0.00 0.00 175.26 175.31 3i12 s VAL 311 N -0.62 5.23 -0.23 2.63 1.01 -1.26 -0.71 120.40 126.46 3i12 s VAL 311 Ca 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 3i12 s VAL 311 Cb -0.42 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3i12 s VAL 311 CO 0.50 -0.08 -0.02 -0.69 0.00 0.00 0.00 175.10 174.82 3i12 s VAL 312 N 1.84 3.53 -0.21 2.92 1.01 -0.14 -4.48 120.40 124.87 3i12 s VAL 312 Ca 0.08 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3i12 s VAL 312 Cb -0.17 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3i12 s VAL 312 CO 0.11 0.38 1.11 -0.63 0.00 0.00 0.00 175.10 176.07 3i12 s ILE 313 N 1.49 4.55 -0.18 2.22 1.01 -0.62 0.14 121.20 129.82 3i12 s ILE 313 Ca 0.05 1.87 -0.22 0.00 0.00 0.00 0.00 60.65 62.36 3i12 s ILE 313 Cb -0.15 -4.21 -0.19 0.00 0.01 0.00 0.00 42.46 37.93 3i12 s ILE 313 CO -0.02 -0.17 0.31 -1.13 0.00 0.00 0.00 174.94 173.94 3i12 h ASN 314 N 7.70 0.00 -5.04 3.58 -1.24 -0.65 -3.40 115.58 116.52 3i12 h ASN 314 Ca -0.21 -0.57 -0.12 0.00 0.71 0.00 0.00 56.30 56.11 3i12 h ASN 314 Cb 1.07 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.94 3i12 h ASN 314 CO 0.98 1.26 -0.40 -1.61 -1.29 0.00 0.00 177.43 176.37 3i12 s GLU 315 N -2.28 0.65 -0.20 6.67 2.02 -0.87 -4.99 118.70 119.70 3i12 s GLU 315 Ca -0.24 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 3i12 s GLU 315 Cb 0.03 0.27 0.01 0.00 0.10 0.00 0.00 34.13 34.54 3i12 s GLU 315 CO 0.56 -0.18 -0.13 0.42 0.02 0.00 0.00 175.26 175.94 3i12 s ILE 316 N -2.21 2.61 -0.25 -1.63 -1.09 -1.26 -0.77 121.20 116.59 3i12 s ILE 316 Ca -0.08 -0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 57.53 3i12 s ILE 316 Cb -0.03 -2.14 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3i12 s ILE 316 CO -0.02 0.49 0.04 0.21 -1.23 0.00 0.00 174.94 174.43 3i12 s ASN 317 N 1.36 4.85 0.00 3.58 3.84 0.03 -4.76 114.94 123.84 3i12 s ASN 317 Ca 0.05 -0.44 0.26 0.00 0.21 0.00 0.00 52.86 52.94 3i12 s ASN 317 Cb -0.14 -1.85 0.63 0.00 -0.55 0.00 0.00 41.25 39.35 3i12 s ASN 317 CO -0.09 -0.08 1.49 0.35 -2.79 0.00 0.00 177.10 175.98 3i12 n THR 318 N 4.86 0.00 -3.24 -5.21 -2.24 -1.26 -1.30 114.28 105.90 3i12 n THR 318 Ca -0.16 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 3i12 n THR 318 Cb 0.50 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 3i12 n THR 318 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i12 n LEU 319 N -1.01 -0.40 -4.74 3.22 4.77 -1.26 -4.63 117.00 112.95 3i12 n LEU 319 Ca 0.09 -4.42 -0.33 0.00 -0.03 0.00 0.00 56.01 51.32 3i12 n LEU 319 Cb 0.34 0.62 0.08 0.00 -2.33 0.00 0.00 43.42 42.13 3i12 n LEU 319 CO 0.30 1.97 0.75 -2.16 -1.33 0.00 0.00 177.39 176.92 3i12 s PRO 320 N -0.49 2.27 0.17 3.23 0.04 -1.26 -4.90 135.00 134.06 3i12 s PRO 320 Ca 0.34 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 3i12 s PRO 320 Cb 0.11 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.61 3i12 s PRO 320 CO -0.15 -1.69 0.91 0.41 0.04 0.00 0.00 177.00 176.52 3i12 n GLY 321 N -0.18 -0.64 0.68 0.56 0.00 -1.26 -4.90 105.19 99.46 3i12 n GLY 321 Ca 0.12 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.66 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 0.80 0.00 -1.24 1.61 -0.00 -1.26 -4.24 117.46 113.12 3i12 n PHE 322 Ca 0.16 -0.77 -0.31 0.00 -0.00 0.00 0.00 57.45 56.54 3i12 n PHE 322 Cb 0.23 -0.15 0.11 0.00 -0.00 0.00 0.00 39.48 39.67 3i12 n PHE 322 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3i12 s THR 323 N -1.55 3.08 -2.00 -2.13 -4.23 -1.26 -4.70 115.64 102.84 3i12 s THR 323 Ca 0.27 0.35 0.14 0.00 -1.18 0.00 0.00 61.69 61.27 3i12 s THR 323 Cb 0.27 -2.84 0.40 0.00 1.34 0.00 0.00 72.50 71.67 3i12 s THR 323 CO -0.06 -0.46 1.27 -0.46 -0.54 0.00 0.00 174.62 174.38 3i12 n ASN 324 N -3.65 0.00 -1.52 3.99 0.23 -1.26 -1.93 115.26 111.11 3i12 n ASN 324 Ca 0.08 -0.65 -0.04 0.00 -0.53 0.00 0.00 54.58 53.44 3i12 n ASN 324 Cb 0.54 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.33 3i12 n ASN 324 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 3i12 n ILE 325 N -0.91 1.79 -3.71 1.53 -6.64 -1.26 -4.72 119.36 105.44 3i12 n ILE 325 Ca 0.11 -3.11 -0.20 0.00 -1.77 0.00 0.00 62.75 57.78 3i12 n ILE 325 Cb 0.05 -0.08 -0.02 0.00 -1.44 0.00 0.00 39.64 38.15 3i12 n ILE 325 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3i12 s SER 326 N -3.22 5.85 0.19 7.28 0.01 -0.81 -4.99 113.70 118.01 3i12 s SER 326 Ca 0.40 -0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.34 3i12 s SER 326 Cb 0.38 -1.33 0.11 0.00 0.21 0.00 0.00 66.02 65.39 3i12 s SER 326 CO -0.05 -0.30 1.80 -0.03 0.41 0.00 0.00 173.24 175.07 3i12 h MET 327 N 1.09 0.93 0.16 12.44 4.05 -1.89 -2.50 114.93 129.21 3i12 h MET 327 Ca -0.47 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 58.83 3i12 h MET 327 Cb 1.25 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 3i12 h MET 327 CO 0.56 0.71 -0.08 -0.92 0.23 0.00 0.00 176.91 177.42 3i12 h TYR 328 N 0.91 -0.20 -0.18 1.39 3.20 -1.93 0.00 116.97 120.17 3i12 h TYR 328 Ca 0.23 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.96 3i12 h TYR 328 Cb 0.06 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3i12 h TYR 328 CO -0.00 -0.05 -0.47 -1.35 -1.64 0.00 0.00 178.16 174.65 3i12 h PRO 329 N -0.30 0.46 -0.40 1.82 0.11 -1.81 -2.71 132.00 129.17 3i12 h PRO 329 Ca -0.02 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i12 h PRO 329 Cb 0.24 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 3i12 h PRO 329 CO 0.04 0.84 0.26 0.87 -0.21 0.00 0.00 178.00 179.80 3i12 h LYS 330 N 0.37 0.54 -0.82 1.05 1.79 -1.20 0.28 116.57 118.57 3i12 h LYS 330 Ca 0.02 -0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.55 3i12 h LYS 330 Cb 0.97 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 31.43 3i12 h LYS 330 CO 0.09 0.37 0.46 -0.07 -1.08 0.00 0.00 179.45 179.21 3i12 h LEU 331 N 0.54 0.65 -0.56 2.94 3.38 -0.82 0.12 115.31 121.56 3i12 h LEU 331 Ca 0.15 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 3i12 h LEU 331 Cb -0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i12 h LEU 331 CO -0.03 0.37 -0.33 -0.50 0.09 0.00 0.00 178.44 178.04 3i12 h TRP 332 N 0.77 0.94 -0.41 1.13 4.06 -1.15 -2.80 115.95 118.49 3i12 h TRP 332 Ca 0.40 -0.25 0.08 0.00 2.06 0.00 0.00 58.89 61.17 3i12 h TRP 332 Cb 0.38 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.25 3i12 h TRP 332 CO -0.07 1.02 -0.11 1.96 -3.56 0.00 0.00 178.44 177.69 3i12 h GLN 333 N 0.67 -0.00 0.00 0.49 1.08 0.38 0.12 115.11 117.84 3i12 h GLN 333 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3i12 h GLN 333 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3i12 h GLN 333 CO 0.08 -0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.95 3i12 n ALA 334 N -2.72 1.29 -0.45 3.87 0.00 -0.10 -2.73 120.51 119.67 3i12 n ALA 334 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.58 3i12 n ALA 334 Cb 0.22 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.89 2.41 0.00 0.00 7.64 -0.01 -4.90 113.62 116.87 3i12 n SER 335 Ca 0.01 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.45 3i12 n SER 335 Cb 0.10 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.67 0.86 3.00 0.23 0.00 -0.75 -4.96 105.19 102.90 3i12 n GLY 336 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3i12 n GLY 336 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i12 s LEU 337 N 0.00 2.09 0.60 0.99 2.96 0.22 -5.01 118.68 120.53 3i12 s LEU 337 Ca 0.00 -0.77 -0.12 0.00 -0.22 0.00 0.00 54.13 53.03 3i12 s LEU 337 Cb 0.00 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 3i12 s LEU 337 CO 0.00 -0.12 1.02 -0.83 -1.32 0.00 0.00 176.35 175.10 3i12 s GLY 338 N 1.43 1.71 0.16 7.98 0.00 -1.26 -2.23 107.32 115.11 3i12 s GLY 338 Ca 0.01 -0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.43 3i12 s GLY 338 CO -0.09 0.21 1.61 -1.82 0.00 0.00 0.00 173.10 173.01 3i12 h TYR 339 N -0.13 -0.81 -0.77 1.90 3.20 -1.96 0.30 116.97 118.70 3i12 h TYR 339 Ca -0.44 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.54 3i12 h TYR 339 Cb 1.19 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 39.80 3i12 h TYR 339 CO 0.66 -0.37 0.45 1.15 -1.64 0.00 0.00 178.16 178.41 3i12 h THR 340 N -0.27 0.99 -0.15 1.81 2.02 -1.95 -0.21 112.91 115.15 3i12 h THR 340 Ca 0.15 -0.28 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 3i12 h THR 340 Cb 0.52 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3i12 h THR 340 CO -0.47 0.15 -0.55 0.44 0.37 0.00 0.00 175.52 175.46 3i12 h ASP 341 N 0.82 0.49 -0.07 4.18 3.32 -1.63 -2.31 116.42 121.22 3i12 h ASP 341 Ca 0.34 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3i12 h ASP 341 Cb 0.20 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3i12 h ASP 341 CO -0.19 0.95 0.04 0.25 -1.72 0.00 0.00 179.24 178.57 3i12 h LEU 342 N 0.34 0.09 -0.36 1.55 5.85 0.45 -0.90 115.31 122.34 3i12 h LEU 342 Ca 0.00 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3i12 h LEU 342 Cb 1.08 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 3i12 h LEU 342 CO 0.10 0.16 -0.13 0.40 -0.34 0.00 0.00 178.44 178.62 3i12 h ILE 343 N 0.02 0.55 -0.81 4.05 1.08 -0.92 -0.75 117.51 120.73 3i12 h ILE 343 Ca 0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 3i12 h ILE 343 Cb 0.09 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 3i12 h ILE 343 CO -0.00 0.00 0.36 0.28 -0.69 0.00 0.00 178.15 178.10 3i12 h SER 344 N -0.06 1.08 -0.13 1.72 0.02 -1.25 -2.06 113.55 112.87 3i12 h SER 344 Ca 0.18 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3i12 h SER 344 Cb 0.33 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3i12 h SER 344 CO -0.40 0.93 -0.29 -0.09 -1.14 0.00 0.00 176.83 175.84 3i12 h ARG 345 N 1.16 0.61 -0.80 3.45 9.65 -0.38 -0.39 114.38 127.68 3i12 h ARG 345 Ca 0.27 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3i12 h ARG 345 Cb 0.16 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 3i12 h ARG 345 CO -0.03 0.84 0.37 -0.07 2.80 0.00 0.00 179.97 183.87 3i12 h LEU 346 N 0.53 1.06 -0.17 3.80 3.38 -0.65 -0.34 115.31 122.93 3i12 h LEU 346 Ca 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3i12 h LEU 346 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3i12 h LEU 346 CO 0.06 0.90 0.00 0.40 0.09 0.00 0.00 178.44 179.90 3i12 h ILE 347 N 1.15 1.25 -0.47 1.22 2.04 -0.84 -2.24 117.51 119.62 3i12 h ILE 347 Ca 0.27 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.36 3i12 h ILE 347 Cb 0.14 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3i12 h ILE 347 CO -0.03 0.25 0.14 -0.33 0.00 0.00 0.00 178.15 178.18 3i12 h GLU 348 N 0.04 0.29 -0.96 2.37 5.08 -0.81 -1.32 114.58 119.28 3i12 h GLU 348 Ca 0.05 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3i12 h GLU 348 Cb 0.38 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 3i12 h GLU 348 CO 0.01 0.19 0.62 -0.07 -1.00 0.00 0.00 179.01 178.76 3i12 h LEU 349 N 0.30 0.96 -0.38 1.33 3.38 -0.92 -0.41 115.31 119.57 3i12 h LEU 349 Ca 0.23 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3i12 h LEU 349 Cb 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3i12 h LEU 349 CO -0.25 0.60 0.22 0.00 0.09 0.00 0.00 178.44 179.09 3i12 h ALA 350 N 1.49 0.48 -0.19 1.53 0.00 -0.64 -1.66 119.26 120.28 3i12 h ALA 350 Ca 0.42 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3i12 h ALA 350 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i12 h ALA 350 CO -0.17 -0.01 -0.18 -0.07 0.00 0.00 0.00 179.25 178.82 3i12 h LEU 351 N 0.49 0.48 -0.52 0.00 3.38 -0.94 -1.58 115.31 116.61 3i12 h LEU 351 Ca 0.13 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.71 3i12 h LEU 351 Cb 0.03 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3i12 h LEU 351 CO -0.02 0.86 0.13 -0.33 0.09 0.00 0.00 178.44 179.17 3i12 h GLU 352 N 0.11 0.27 -0.37 1.13 5.08 -0.92 -0.45 114.58 119.44 3i12 h GLU 352 Ca 0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3i12 h GLU 352 Cb 0.72 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3i12 h GLU 352 CO 0.05 0.18 0.11 -0.09 -1.00 0.00 0.00 179.01 178.25 3i12 h ARG 353 N 0.28 0.57 -0.80 2.33 2.43 -1.26 0.19 114.38 118.12 3i12 h ARG 353 Ca 0.26 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3i12 h ARG 353 Cb 0.34 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3i12 h ARG 353 CO -0.32 0.59 0.52 1.25 -1.51 0.00 0.00 179.97 180.51 3i12 h HIS 354 N 0.44 0.99 -0.43 2.20 2.76 -0.81 0.08 115.15 120.38 3i12 h HIS 354 Ca 0.12 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 3i12 h HIS 354 Cb 0.26 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 3i12 h HIS 354 CO 0.01 0.61 -0.08 1.15 -1.30 0.00 0.00 177.93 178.32 3i12 h THR 355 N 1.06 1.27 -0.06 6.26 2.02 -0.67 -0.55 112.91 122.24 3i12 h THR 355 Ca 0.30 -1.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 3i12 h THR 355 Cb -0.09 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3i12 h THR 355 CO -0.08 0.40 -0.27 0.00 0.37 0.00 0.00 175.52 175.95 3i12 h ALA 356 N 0.86 1.45 -0.39 6.16 0.00 -0.13 -2.23 119.26 124.98 3i12 h ALA 356 Ca 0.11 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3i12 h ALA 356 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i12 h ALA 356 CO 0.04 0.40 -0.20 -0.91 0.00 0.00 0.00 179.25 178.58 3i12 h ASN 357 N 0.10 0.86 0.44 0.00 2.35 -0.62 -2.76 115.58 115.94 3i12 h ASN 357 Ca 0.01 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.34 3i12 h ASN 357 Cb 0.53 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3i12 h ASN 357 CO 0.04 1.07 -0.08 0.78 -1.65 0.00 0.00 177.43 177.59 3i12 h ASN 358 N 0.64 0.00 1.47 5.81 2.35 -0.82 -2.76 115.58 122.27 3i12 h ASN 358 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3i12 h ASN 358 Cb 0.75 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 3i12 h ASN 358 CO 0.06 0.08 -0.03 0.00 -1.65 0.00 0.00 177.43 175.89 3i12 h ALA 359 N 1.92 0.99 -2.83 -0.83 0.00 -1.11 -3.45 119.26 113.95 3i12 h ALA 359 Ca -0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 3i12 h ALA 359 Cb 0.33 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.17 3i12 h ALA 359 CO 0.01 0.04 0.69 -0.51 0.00 0.00 0.00 179.25 179.48 3i12 s LEU 360 N -6.25 4.41 0.56 0.00 1.43 -1.04 -5.00 118.68 112.79 3i12 s LEU 360 Ca 0.04 2.69 -0.18 0.00 -1.03 0.00 0.00 54.13 55.64 3i12 s LEU 360 Cb 0.07 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3i12 s LEU 360 CO 0.61 -0.61 1.10 -0.54 0.23 0.00 0.00 176.35 177.15 3i12 s LYS 361 N -1.23 3.32 -0.01 1.70 1.02 -1.26 -4.97 119.74 118.31 3i12 s LYS 361 Ca 0.53 1.49 0.06 0.00 0.02 0.00 0.00 55.97 58.07 3i12 s LYS 361 Cb -0.41 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 3i12 s LYS 361 CO 0.49 -0.85 0.16 0.25 -0.92 0.00 0.00 175.35 174.48 3i12 n THR 362 N -1.52 0.00 -4.38 2.17 -2.24 -1.26 -5.05 114.28 101.99 3i12 n THR 362 Ca 0.11 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 3i12 n THR 362 Cb 0.52 0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 69.14 3i12 n THR 362 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i12 s THR 363 N -2.27 0.43 -2.03 4.28 -4.23 -1.26 -5.35 115.64 105.21 3i12 s THR 363 Ca -0.01 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.81 3i12 s THR 363 Cb 0.04 -2.49 0.89 0.00 1.34 0.00 0.00 72.50 72.28 3i12 s THR 363 CO 0.26 0.00 2.20 0.80 -0.54 0.00 0.00 174.62 177.34