#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mag n ASP 2 N 0.00 5.38 -4.87 6.12 2.03 -1.26 -5.02 116.55 118.93 3mag n ASP 2 Ca 0.00 -3.14 -0.31 0.00 0.52 0.00 0.00 54.79 51.86 3mag n ASP 2 Cb 0.00 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 38.92 3mag n ASP 2 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3mag s VAL 3 N -0.10 4.73 0.24 5.18 -7.23 -1.26 -1.86 120.40 120.10 3mag s VAL 3 Ca 0.38 0.76 -0.21 0.00 -1.81 0.00 0.00 61.98 61.10 3mag s VAL 3 Cb 0.06 -3.73 0.06 0.00 0.56 0.00 0.00 36.38 33.33 3mag s VAL 3 CO 0.02 -0.55 0.91 0.54 -0.31 0.00 0.00 175.10 175.71 3mag s VAL 4 N -2.42 0.00 -0.10 1.32 0.11 -1.15 -4.85 120.40 113.31 3mag s VAL 4 Ca 0.53 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 3mag s VAL 4 Cb -0.10 -2.48 0.02 0.00 -1.53 0.00 0.00 36.38 32.29 3mag s VAL 4 CO 0.31 0.00 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.56 3mag s SER 5 N -3.11 2.00 0.11 3.54 0.01 -1.26 -1.68 113.70 113.31 3mag s SER 5 Ca 0.16 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.22 3mag s SER 5 Cb -0.03 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 3mag s SER 5 CO 0.06 -0.08 -0.21 -0.76 0.41 0.00 0.00 173.24 172.66 3mag s LEU 6 N 1.43 2.32 -0.07 2.44 1.02 -1.26 -5.04 118.68 119.51 3mag s LEU 6 Ca -0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 54.13 53.41 3mag s LEU 6 Cb -0.13 -0.89 -0.01 0.00 0.02 0.00 0.00 46.19 45.17 3mag s LEU 6 CO -0.05 0.05 0.10 0.44 0.02 0.00 0.00 176.35 176.91 3mag h ASP 7 N 3.97 -0.07 -5.19 2.29 5.19 -2.01 -3.48 116.42 117.13 3mag h ASP 7 Ca -0.46 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.70 3mag h ASP 7 Cb 1.18 0.02 -0.15 0.00 0.18 0.00 0.00 39.33 40.56 3mag h ASP 7 CO 0.41 0.33 -0.63 -1.59 -3.12 0.00 0.00 179.24 174.64 3mag s LYS 8 N -1.72 1.14 0.48 3.56 0.00 -1.26 -5.15 119.74 116.79 3mag s LYS 8 Ca -0.01 -1.58 0.03 0.00 0.00 0.00 0.00 55.97 54.41 3mag s LYS 8 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 37.83 37.94 3mag s LYS 8 CO 0.03 -0.29 0.68 -1.25 0.00 0.00 0.00 175.35 174.52 3mag s PRO 9 N -4.07 2.77 -0.22 1.78 0.04 -1.26 -5.03 135.00 129.02 3mag s PRO 9 Ca 0.32 -0.81 -0.29 0.00 0.04 0.00 0.00 61.00 60.26 3mag s PRO 9 Cb 0.07 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 3mag s PRO 9 CO 0.08 -0.45 1.25 -0.06 0.04 0.00 0.00 177.00 177.86 3mag s PHE 10 N -2.58 2.84 -0.13 0.56 0.08 -1.26 -4.87 117.98 112.62 3mag s PHE 10 Ca 0.53 1.01 0.09 0.00 0.12 0.00 0.00 56.93 58.68 3mag s PHE 10 Cb -0.10 -3.62 -0.23 0.00 -0.57 0.00 0.00 43.02 38.49 3mag s PHE 10 CO 0.37 -1.58 0.32 -1.33 -0.10 0.00 0.00 175.22 172.89 3mag n MET 11 N 6.83 0.68 -4.28 0.44 2.81 -1.26 -4.86 117.12 117.48 3mag n MET 11 Ca 0.14 0.19 -0.19 0.00 -1.81 0.00 0.00 57.70 56.02 3mag n MET 11 Cb 0.46 -1.66 -0.11 0.00 -0.71 0.00 0.00 33.22 31.19 3mag n MET 11 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3mag s TYR 12 N -2.55 1.57 0.25 2.03 2.02 -1.26 -1.77 117.35 117.63 3mag s TYR 12 Ca -0.14 -0.53 -0.03 0.00 -0.37 0.00 0.00 57.07 56.00 3mag s TYR 12 Cb 0.07 -0.80 0.47 0.00 -0.40 0.00 0.00 41.96 41.30 3mag s TYR 12 CO 0.78 0.22 1.76 0.35 -1.57 0.00 0.00 175.55 177.10 3mag h PHE 13 N 3.36 0.70 0.00 2.71 3.57 -1.66 -1.01 116.94 124.61 3mag h PHE 13 Ca -0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3mag h PHE 13 Cb 1.20 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3mag h PHE 13 CO 0.66 0.18 0.00 0.39 -2.23 0.00 0.00 178.31 177.32 3mag n GLU 14 N -4.88 0.15 0.14 1.11 4.71 -1.26 -1.51 120.64 119.09 3mag n GLU 14 Ca 0.15 0.56 0.07 0.00 -0.01 0.00 0.00 57.16 57.94 3mag n GLU 14 Cb 0.38 -1.91 0.05 0.00 -1.01 0.00 0.00 31.44 28.96 3mag n GLU 14 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3mag h GLU 15 N 0.00 0.00 -6.25 3.49 5.08 -1.59 -3.45 114.58 111.86 3mag h GLU 15 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3mag h GLU 15 Cb 0.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3mag h GLU 15 CO 0.00 0.19 1.27 -0.89 -1.00 0.00 0.00 179.01 178.58 3mag n ILE 16 N -3.01 0.64 -1.22 3.13 5.41 -0.57 -4.85 119.36 118.88 3mag n ILE 16 Ca 0.00 -0.20 -0.17 0.00 1.00 0.00 0.00 62.75 63.38 3mag n ILE 16 Cb 0.64 -2.27 0.21 0.00 -0.71 0.00 0.00 39.64 37.51 3mag n ILE 16 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3mag n ASP 17 N 8.30 3.81 -3.67 4.38 5.68 -1.26 -4.99 116.55 128.80 3mag n ASP 17 Ca 0.23 -3.55 -0.04 0.00 -0.50 0.00 0.00 54.79 50.94 3mag n ASP 17 Cb 0.39 -0.79 -0.01 0.00 -1.14 0.00 0.00 41.12 39.57 3mag n ASP 17 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3mag s ASN 18 N -1.42 -0.19 0.16 -1.12 3.84 -1.26 -5.19 114.94 109.75 3mag s ASN 18 Ca 0.55 -0.25 -0.06 0.00 0.21 0.00 0.00 52.86 53.31 3mag s ASN 18 Cb 0.46 0.39 -0.02 0.00 -0.55 0.00 0.00 41.25 41.52 3mag s ASN 18 CO 0.10 -0.69 0.20 -1.83 -2.79 0.00 0.00 177.10 172.08 3mag s GLU 19 N -3.04 1.09 -0.08 0.43 -1.05 -1.26 -4.45 118.70 110.33 3mag s GLU 19 Ca 0.11 -1.30 -0.10 0.00 -0.15 0.00 0.00 54.97 53.53 3mag s GLU 19 Cb -0.00 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 3mag s GLU 19 CO -0.02 -0.37 0.27 -0.51 0.95 0.00 0.00 175.26 175.58 3mag s LEU 20 N -3.01 0.99 0.09 1.83 1.43 -0.38 -4.86 118.68 114.76 3mag s LEU 20 Ca 0.21 0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 53.44 3mag s LEU 20 Cb 0.05 0.96 -0.08 0.00 0.03 0.00 0.00 46.19 47.15 3mag s LEU 20 CO 0.02 -0.16 1.50 -1.81 0.23 0.00 0.00 176.35 176.13 3mag s ASP 21 N -0.15 6.72 0.17 2.29 1.01 -1.26 -4.24 116.67 121.21 3mag s ASP 21 Ca -0.03 2.39 -0.32 0.00 0.71 0.00 0.00 52.55 55.30 3mag s ASP 21 Cb -0.03 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 3mag s ASP 21 CO 0.01 -0.77 1.65 -0.47 0.21 0.00 0.00 175.17 175.81 3mag s TYR 22 N 1.80 2.91 -0.38 4.23 5.04 -1.26 -4.99 117.35 124.70 3mag s TYR 22 Ca 0.68 0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 55.66 3mag s TYR 22 Cb -0.38 -4.03 0.04 0.00 0.35 0.00 0.00 41.96 37.94 3mag s TYR 22 CO 0.30 -3.91 0.21 -1.21 -1.34 0.00 0.00 175.55 169.61 3mag s GLU 23 N 1.34 2.76 0.26 4.97 2.02 -1.26 -4.96 118.70 123.82 3mag s GLU 23 Ca 0.73 -1.18 0.14 0.00 0.02 0.00 0.00 54.97 54.68 3mag s GLU 23 Cb -0.46 -3.73 0.78 0.00 0.10 0.00 0.00 34.13 30.82 3mag s GLU 23 CO 0.32 -0.76 1.38 -0.35 0.02 0.00 0.00 175.26 175.87 3mag n PRO 24 N 4.97 0.09 0.18 0.39 -0.04 -1.26 -1.10 135.00 138.23 3mag n PRO 24 Ca -0.12 0.57 0.14 0.00 -0.04 0.00 0.00 63.50 64.05 3mag n PRO 24 Cb 0.45 -1.94 0.47 0.00 -0.04 0.00 0.00 33.50 32.44 3mag n PRO 24 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3mag h GLU 25 N 0.00 0.00 0.00 0.54 3.07 -2.03 -2.90 114.58 113.27 3mag h GLU 25 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3mag h GLU 25 Cb 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3mag h GLU 25 CO 0.00 0.00 -0.23 0.66 -1.40 0.00 0.00 179.01 178.04 3mag h SER 26 N 0.00 0.00 0.36 1.42 4.64 -1.54 -2.74 113.55 115.69 3mag h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mag h SER 26 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3mag h SER 26 CO 0.00 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 3mag h ALA 27 N 1.77 1.00 -0.02 5.18 0.00 -1.71 -1.27 119.26 124.21 3mag h ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mag h ALA 27 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3mag h ALA 27 CO 0.03 0.00 -0.07 0.09 0.00 0.00 0.00 179.25 179.30 3mag n ASN 28 N -2.62 1.85 -4.88 0.00 4.13 -1.03 -4.94 115.26 107.77 3mag n ASN 28 Ca -0.01 -1.54 -0.30 0.00 1.68 0.00 0.00 54.58 54.42 3mag n ASN 28 Cb 0.14 0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 3mag n ASN 28 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3mag s GLU 29 N -2.11 3.75 -0.25 3.52 2.02 -0.48 -4.98 118.70 120.16 3mag s GLU 29 Ca 0.32 0.34 -0.37 0.00 0.02 0.00 0.00 54.97 55.28 3mag s GLU 29 Cb 0.20 -2.47 -0.13 0.00 0.10 0.00 0.00 34.13 31.83 3mag s GLU 29 CO 0.37 0.05 1.92 0.28 0.02 0.00 0.00 175.26 177.90 3mag n VAL 30 N -1.12 0.35 0.15 2.63 0.31 -1.26 -4.88 118.33 114.51 3mag n VAL 30 Ca 0.01 -0.13 0.07 0.00 -0.01 0.00 0.00 64.34 64.28 3mag n VAL 30 Cb 0.54 -1.52 0.06 0.00 -0.91 0.00 0.00 33.84 32.00 3mag n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mag h ALA 31 N 9.30 0.76 -3.27 3.52 0.00 -1.94 -3.42 119.26 124.21 3mag h ALA 31 Ca -0.41 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 3mag h ALA 31 Cb 1.31 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.84 3mag h ALA 31 CO 0.98 0.36 -0.51 -1.59 0.00 0.00 0.00 179.25 178.48 3mag s LYS 32 N -3.10 0.22 -0.00 0.00 -2.85 -1.26 -0.50 119.74 112.25 3mag s LYS 32 Ca 0.04 0.20 0.09 0.00 -1.00 0.00 0.00 55.97 55.30 3mag s LYS 32 Cb 0.07 0.11 -0.12 0.00 -2.06 0.00 0.00 37.83 35.83 3mag s LYS 32 CO 0.73 -0.03 0.34 0.36 0.10 0.00 0.00 175.35 176.85 3mag n LYS 33 N 2.88 2.74 -4.97 1.78 -0.00 -1.26 -5.02 118.16 114.32 3mag n LYS 33 Ca -0.13 -0.03 -0.29 0.00 -0.00 0.00 0.00 58.31 57.86 3mag n LYS 33 Cb 0.59 -1.04 -0.15 0.00 -0.00 0.00 0.00 35.03 34.43 3mag n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3mag s LEU 34 N -2.84 2.12 0.32 -5.58 1.43 -1.26 -5.10 118.68 107.77 3mag s LEU 34 Ca 0.01 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3mag s LEU 34 Cb 0.07 -1.19 -0.10 0.00 0.03 0.00 0.00 46.19 44.99 3mag s LEU 34 CO 0.39 0.25 1.30 -2.16 0.23 0.00 0.00 176.35 176.36 3mag s PRO 35 N -0.94 4.37 -1.73 1.29 0.04 -1.26 -2.15 135.00 134.62 3mag s PRO 35 Ca 0.10 2.19 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 3mag s PRO 35 Cb -0.09 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3mag s PRO 35 CO 0.01 -0.17 0.09 0.66 0.04 0.00 0.00 177.00 177.62 3mag n TYR 36 N 0.91 -1.16 0.10 0.56 4.01 -1.26 -4.80 117.16 115.52 3mag n TYR 36 Ca 0.00 0.08 0.04 0.00 -0.16 0.00 0.00 57.90 57.86 3mag n TYR 36 Cb 0.42 -4.00 0.46 0.00 -0.31 0.00 0.00 39.34 35.91 3mag n TYR 36 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3mag h GLN 37 N -0.20 0.32 -0.69 -0.72 4.15 -1.81 -2.06 115.11 114.10 3mag h GLN 37 Ca -0.49 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.85 3mag h GLN 37 Cb 1.36 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 3mag h GLN 37 CO 0.57 0.28 0.27 0.78 -1.93 0.00 0.00 178.83 178.80 3mag h GLY 38 N 0.48 1.09 1.18 2.39 0.00 -1.86 -0.71 103.07 105.64 3mag h GLY 38 Ca 0.08 -0.58 -0.19 0.00 0.00 0.00 0.00 47.33 46.65 3mag h GLY 38 CO -0.01 0.54 -0.55 1.46 0.00 0.00 0.00 176.54 177.99 3mag h GLN 39 N 0.99 0.85 -0.23 4.80 1.08 -1.78 -2.82 115.11 118.01 3mag h GLN 39 Ca 0.23 -0.54 0.02 0.00 -1.45 0.00 0.00 58.65 56.90 3mag h GLN 39 Cb 0.20 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3mag h GLN 39 CO -0.02 1.18 0.10 1.25 -0.95 0.00 0.00 178.83 180.39 3mag h LEU 40 N 0.65 0.14 -0.22 1.46 5.85 -1.07 -0.06 115.31 122.07 3mag h LEU 40 Ca 0.01 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3mag h LEU 40 Cb 1.16 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3mag h LEU 40 CO 0.12 0.11 -0.17 0.50 -0.34 0.00 0.00 178.44 178.67 3mag h LYS 41 N 0.22 -0.16 -0.62 1.25 3.64 -1.07 -1.56 116.57 118.27 3mag h LYS 41 Ca 0.10 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3mag h LYS 41 Cb 0.04 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3mag h LYS 41 CO -0.08 -0.11 0.03 -0.07 -2.27 0.00 0.00 179.45 176.95 3mag h LEU 42 N -0.16 1.03 -0.40 5.20 3.38 -1.34 -2.77 115.31 120.25 3mag h LEU 42 Ca 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3mag h LEU 42 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3mag h LEU 42 CO -0.32 1.07 0.18 0.25 0.09 0.00 0.00 178.44 179.71 3mag h LEU 43 N 0.98 0.54 -0.27 1.67 5.85 -0.62 -1.40 115.31 122.06 3mag h LEU 43 Ca 0.18 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3mag h LEU 43 Cb 0.53 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3mag h LEU 43 CO 0.03 0.54 0.09 -0.07 -0.34 0.00 0.00 178.44 178.68 3mag h LEU 44 N 0.51 0.39 -0.49 2.25 3.38 -1.26 -0.39 115.31 119.70 3mag h LEU 44 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3mag h LEU 44 Cb 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3mag h LEU 44 CO -0.01 0.47 0.15 1.23 0.09 0.00 0.00 178.44 180.37 3mag h GLY 45 N 0.28 0.82 1.93 0.83 0.00 -1.45 -1.19 103.07 104.29 3mag h GLY 45 Ca 0.09 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 3mag h GLY 45 CO -0.00 0.45 -0.56 0.83 0.00 0.00 0.00 176.54 177.25 3mag h GLU 46 N 0.66 0.08 -0.27 4.80 5.08 -1.18 0.03 114.58 123.76 3mag h GLU 46 Ca 0.16 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3mag h GLU 46 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3mag h GLU 46 CO -0.01 0.62 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.50 3mag h LEU 47 N 0.06 0.52 0.27 1.33 3.38 -0.86 -0.28 115.31 119.72 3mag h LEU 47 Ca -0.00 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3mag h LEU 47 Cb 1.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3mag h LEU 47 CO 0.08 0.76 -0.21 0.15 0.09 0.00 0.00 178.44 179.30 3mag h PHE 48 N 0.28 -0.56 0.35 1.13 3.57 -1.04 0.13 116.94 120.79 3mag h PHE 48 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3mag h PHE 48 Cb 0.52 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3mag h PHE 48 CO 0.05 -0.32 -0.24 0.35 -2.23 0.00 0.00 178.31 175.91 3mag h PHE 49 N -0.49 -0.64 -0.59 0.41 3.57 -0.97 -2.28 116.94 115.94 3mag h PHE 49 Ca -0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3mag h PHE 49 Cb 0.44 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3mag h PHE 49 CO -0.13 -0.37 0.32 -0.07 -2.23 0.00 0.00 178.31 175.83 3mag h LEU 50 N -0.58 0.73 -1.27 0.59 -0.00 -0.97 -2.42 115.31 111.39 3mag h LEU 50 Ca -0.03 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.75 3mag h LEU 50 Cb 0.50 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 3mag h LEU 50 CO 0.01 0.59 -0.01 0.28 -0.00 0.00 0.00 178.44 179.31 3mag h SER 51 N 0.82 0.45 -0.14 -0.43 0.02 -0.48 -1.88 113.55 111.91 3mag h SER 51 Ca 0.21 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3mag h SER 51 Cb 0.02 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3mag h SER 51 CO -0.03 0.53 0.06 0.50 -1.14 0.00 0.00 176.83 176.74 3mag h LYS 52 N 0.46 0.20 -0.63 3.45 3.64 -0.93 -1.58 116.57 121.19 3mag h LYS 52 Ca 0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3mag h LYS 52 Cb 0.32 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3mag h LYS 52 CO 0.01 0.29 0.38 -0.07 -2.27 0.00 0.00 179.45 177.79 3mag h LEU 53 N 0.07 0.74 -0.39 5.20 3.38 -1.14 -1.14 115.31 122.02 3mag h LEU 53 Ca 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3mag h LEU 53 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3mag h LEU 53 CO -0.00 0.56 0.16 -0.61 0.09 0.00 0.00 178.44 178.63 3mag h GLN 54 N 0.86 0.59 -0.56 1.13 4.15 -1.11 0.03 115.11 120.19 3mag h GLN 54 Ca 0.23 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.60 3mag h GLN 54 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 3mag h GLN 54 CO -0.04 0.56 0.37 -0.09 -1.93 0.00 0.00 178.83 177.70 3mag h ARG 55 N 0.49 0.52 -0.22 1.69 2.43 -0.23 0.20 114.38 119.27 3mag h ARG 55 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3mag h ARG 55 Cb 0.19 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3mag h ARG 55 CO -0.01 0.35 0.00 0.72 -1.51 0.00 0.00 179.97 179.52 3mag n HIS 56 N -4.47 0.28 -2.65 2.20 8.25 -0.60 -4.94 115.22 113.28 3mag n HIS 56 Ca 0.08 -0.14 -0.18 0.00 -0.26 0.00 0.00 57.72 57.22 3mag n HIS 56 Cb 0.23 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.35 3mag n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mag n GLY 57 N 1.18 -0.33 0.20 -1.41 0.00 0.72 -4.90 105.19 100.65 3mag n GLY 57 Ca 0.16 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.13 3mag n GLY 57 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mag n ILE 58 N -4.18 0.32 -0.08 -0.61 -5.35 -0.10 -4.73 119.36 104.62 3mag n ILE 58 Ca -0.14 -0.66 -0.17 0.00 -0.27 0.00 0.00 62.75 61.50 3mag n ILE 58 Cb 0.63 0.91 -0.12 0.00 -1.74 0.00 0.00 39.64 39.31 3mag n ILE 58 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3mag h LEU 59 N 0.86 0.00 -9.51 7.28 5.85 -1.86 -3.43 115.31 114.50 3mag h LEU 59 Ca 0.00 -0.79 -0.55 0.00 0.84 0.00 0.00 57.88 57.39 3mag h LEU 59 Cb 0.31 -0.00 0.05 0.00 0.37 0.00 0.00 40.66 41.39 3mag h LEU 59 CO 0.00 1.22 1.03 -0.67 -0.34 0.00 0.00 178.44 179.68 3mag n ASP 60 N -4.53 3.78 0.00 1.25 -0.08 -1.26 -1.79 116.55 113.92 3mag n ASP 60 Ca -0.20 1.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 3mag n ASP 60 Cb 0.57 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.52 3mag n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3mag n GLY 61 N 4.03 0.76 3.94 0.27 0.00 0.17 -4.95 105.19 109.41 3mag n GLY 61 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3mag n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mag s ALA 62 N -2.99 3.67 -0.20 4.61 0.00 -0.74 -4.57 121.76 121.55 3mag s ALA 62 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3mag s ALA 62 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 3mag s ALA 62 CO 0.00 -0.32 -0.02 0.99 0.00 0.00 0.00 175.76 176.40 3mag s THR 63 N -2.55 3.74 -0.27 0.00 2.01 -0.03 -2.45 115.64 116.08 3mag s THR 63 Ca 0.47 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 3mag s THR 63 Cb -0.10 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 3mag s THR 63 CO 0.39 0.44 0.57 -0.69 -0.69 0.00 0.00 174.62 174.64 3mag s VAL 64 N 1.00 5.01 -0.34 3.82 1.01 0.66 -1.47 120.40 130.09 3mag s VAL 64 Ca 0.01 0.92 -0.10 0.00 0.00 0.00 0.00 61.98 62.80 3mag s VAL 64 Cb -0.14 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3mag s VAL 64 CO 0.01 -0.00 0.17 -0.69 0.00 0.00 0.00 175.10 174.59 3mag s VAL 65 N 2.44 4.56 -0.28 2.92 1.01 0.35 -1.02 120.40 130.39 3mag s VAL 65 Ca 0.23 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3mag s VAL 65 Cb -0.15 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3mag s VAL 65 CO 0.10 -0.07 0.04 -0.47 0.00 0.00 0.00 175.10 174.70 3mag s TYR 66 N 1.58 3.12 -0.17 5.22 6.14 -0.56 -1.03 117.35 131.65 3mag s TYR 66 Ca 0.03 -1.11 -0.06 0.00 0.64 0.00 0.00 57.07 56.58 3mag s TYR 66 Cb -0.18 -2.20 -0.03 0.00 0.42 0.00 0.00 41.96 39.97 3mag s TYR 66 CO 0.06 -0.61 0.01 0.42 0.64 0.00 0.00 175.55 176.08 3mag s ILE 67 N 1.46 4.37 0.00 3.14 1.01 -0.08 -1.44 121.20 129.66 3mag s ILE 67 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3mag s ILE 67 Cb -0.17 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3mag s ILE 67 CO 0.01 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.04 3mag n GLY 68 N 3.48 0.97 0.09 6.18 0.00 -0.35 -1.08 105.19 114.49 3mag n GLY 68 Ca -0.17 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.45 3mag n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mag h SER 69 N 0.00 0.00 -3.43 1.61 4.64 -1.73 -3.40 113.55 111.24 3mag h SER 69 Ca 0.00 -0.12 -0.54 0.00 -0.47 0.00 0.00 61.79 60.66 3mag h SER 69 Cb 0.77 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 3mag h SER 69 CO 0.00 0.06 -0.02 0.00 -0.87 0.00 0.00 176.83 176.00 3mag s ALA 70 N -3.16 3.51 0.31 5.18 0.00 -1.26 -1.10 121.76 125.24 3mag s ALA 70 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.01 3mag s ALA 70 Cb 0.12 -2.62 0.51 0.00 0.00 0.00 0.00 23.12 21.13 3mag s ALA 70 CO 0.68 0.41 1.86 -1.00 0.00 0.00 0.00 175.76 177.71 3mag h PRO 71 N 3.39 0.68 -0.25 0.00 0.13 -1.93 -3.50 132.00 130.52 3mag h PRO 71 Ca -0.48 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 64.41 3mag h PRO 71 Cb 1.19 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 3mag h PRO 71 CO 0.66 0.64 -0.09 0.41 -0.23 0.00 0.00 178.00 179.39 3mag n GLY 72 N -0.89 0.74 0.27 1.56 0.00 -0.26 -1.22 105.19 105.39 3mag n GLY 72 Ca 0.03 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.24 3mag n GLY 72 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mag h THR 73 N 0.00 0.33 0.00 2.61 2.02 -1.92 0.15 112.91 116.09 3mag h THR 73 Ca -0.10 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3mag h THR 73 Cb 0.34 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3mag h THR 73 CO 0.15 0.01 -0.09 1.12 0.37 0.00 0.00 175.52 177.08 3mag h HIS 74 N 0.07 0.00 0.00 3.16 2.07 -1.92 -2.47 115.15 116.06 3mag h HIS 74 Ca 0.39 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.88 3mag h HIS 74 Cb 0.66 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.63 3mag h HIS 74 CO -0.47 0.09 -0.13 0.82 -3.07 0.00 0.00 177.93 175.17 3mag h ILE 75 N 0.00 0.77 -0.69 6.12 2.04 -1.09 -2.35 117.51 122.32 3mag h ILE 75 Ca -0.00 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3mag h ILE 75 Cb 0.32 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3mag h ILE 75 CO 0.01 0.12 0.24 -0.09 0.00 0.00 0.00 178.15 178.44 3mag h ARG 76 N 0.00 1.05 -0.36 2.37 9.65 -1.52 -0.56 114.38 125.01 3mag h ARG 76 Ca -0.00 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 3mag h ARG 76 Cb 0.28 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3mag h ARG 76 CO 0.02 0.89 0.16 -0.92 2.80 0.00 0.00 179.97 182.91 3mag h TYR 77 N 1.00 0.54 0.06 2.20 5.03 -1.59 -1.25 116.97 122.95 3mag h TYR 77 Ca 0.23 -0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.52 3mag h TYR 77 Cb 0.26 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 3mag h TYR 77 CO 0.02 0.48 -0.17 -0.07 -1.32 0.00 0.00 178.16 177.10 3mag h LEU 78 N 0.44 -0.47 -0.43 2.82 3.38 -1.31 0.84 115.31 120.57 3mag h LEU 78 Ca 0.12 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3mag h LEU 78 Cb 0.16 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3mag h LEU 78 CO -0.01 -0.24 0.13 -0.09 0.09 0.00 0.00 178.44 178.32 3mag h ARG 79 N -0.31 0.27 -0.45 1.13 1.12 -1.02 -2.67 114.38 112.47 3mag h ARG 79 Ca 0.03 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 3mag h ARG 79 Cb 0.34 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 3mag h ARG 79 CO -0.12 0.18 0.29 -0.44 -3.11 0.00 0.00 179.97 176.77 3mag h ASP 80 N 0.28 0.52 -0.41 -3.80 3.32 -0.91 -1.12 116.42 114.30 3mag h ASP 80 Ca 0.21 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.28 3mag h ASP 80 Cb 0.23 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3mag h ASP 80 CO -0.24 0.40 0.14 -0.74 -1.72 0.00 0.00 179.24 177.09 3mag h HIS 81 N 0.60 0.25 0.00 4.55 2.76 -0.55 -0.28 115.15 122.49 3mag h HIS 81 Ca 0.16 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.14 3mag h HIS 81 Cb -0.04 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 3mag h HIS 81 CO -0.04 0.10 -1.02 0.74 -1.30 0.00 0.00 177.93 176.41 3mag h PHE 82 N 0.31 0.00 -0.46 5.26 0.04 -1.37 -2.91 116.94 117.81 3mag h PHE 82 Ca 0.19 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3mag h PHE 82 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3mag h PHE 82 CO -0.15 0.99 0.20 -0.92 -0.60 0.00 0.00 178.31 177.82 3mag h TYR 83 N 0.00 0.69 0.00 -0.55 3.20 -0.99 -1.91 116.97 117.42 3mag h TYR 83 Ca -0.02 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3mag h TYR 83 Cb 1.77 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.83 3mag h TYR 83 CO 0.00 0.58 0.00 -0.91 -1.64 0.00 0.00 178.16 176.19 3mag h ASN 84 N 0.61 0.00 0.55 -2.11 -0.26 -1.06 -2.35 115.58 110.95 3mag h ASN 84 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3mag h ASN 84 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 3mag h ASN 84 CO -0.02 0.00 -0.31 0.18 -1.06 0.00 0.00 177.43 176.23 3mag n LEU 85 N -2.88 0.46 0.00 1.61 4.77 -0.85 -4.93 117.00 115.19 3mag n LEU 85 Ca 0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3mag n LEU 85 Cb 0.31 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3mag n LEU 85 CO 0.26 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3mag n GLY 86 N 1.45 0.76 3.75 -0.72 0.00 -0.88 -5.04 105.19 104.51 3mag n GLY 86 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3mag n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mag s VAL 87 N -2.27 3.91 -0.41 1.61 1.01 -0.78 -5.01 120.40 118.46 3mag s VAL 87 Ca 0.00 1.89 -0.15 0.00 0.00 0.00 0.00 61.98 63.71 3mag s VAL 87 Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.20 3mag s VAL 87 CO 0.00 0.43 0.33 -0.63 0.00 0.00 0.00 175.10 175.23 3mag s ILE 88 N -1.04 5.23 0.00 2.22 -1.09 -1.26 -4.39 121.20 120.87 3mag s ILE 88 Ca 0.43 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 3mag s ILE 88 Cb -0.28 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 3mag s ILE 88 CO 0.35 -0.34 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.02 3mag s ILE 89 N 1.75 0.52 -0.12 2.92 1.01 -1.26 0.47 121.20 126.48 3mag s ILE 89 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 3mag s ILE 89 Cb -0.19 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 3mag s ILE 89 CO 0.10 0.08 -0.01 -0.54 0.00 0.00 0.00 174.94 174.58 3mag s LYS 90 N -0.34 3.37 -0.08 2.79 1.02 -1.03 -4.91 119.74 120.57 3mag s LYS 90 Ca 0.01 -0.44 -0.00 0.00 0.02 0.00 0.00 55.97 55.55 3mag s LYS 90 Cb -0.03 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3mag s LYS 90 CO -0.00 0.47 -0.05 -1.58 -0.92 0.00 0.00 175.35 173.27 3mag s TRP 91 N -0.24 2.99 -0.27 3.18 0.52 0.92 -0.25 118.94 125.79 3mag s TRP 91 Ca 0.05 0.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.18 3mag s TRP 91 Cb -0.12 -1.76 0.08 0.00 -1.15 0.00 0.00 33.47 30.52 3mag s TRP 91 CO 0.02 0.31 0.06 1.41 0.02 0.00 0.00 176.95 178.77 3mag s MET 92 N -0.68 0.87 -0.28 4.98 1.75 -0.19 -0.91 119.30 124.84 3mag s MET 92 Ca 0.10 -0.93 -0.11 0.00 -1.25 0.00 0.00 55.69 53.51 3mag s MET 92 Cb -0.11 -2.16 -0.04 0.00 2.84 0.00 0.00 34.83 35.35 3mag s MET 92 CO 0.02 -0.84 0.18 -0.51 -0.65 0.00 0.00 175.02 173.22 3mag s LEU 93 N 1.61 4.01 -0.14 4.11 1.43 0.13 -1.50 118.68 128.32 3mag s LEU 93 Ca 0.05 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3mag s LEU 93 Cb -0.18 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.96 3mag s LEU 93 CO -0.17 -0.07 -0.19 -0.63 0.23 0.00 0.00 176.35 175.51 3mag s ILE 94 N 1.74 1.90 -0.04 -0.59 1.01 -0.52 0.07 121.20 124.77 3mag s ILE 94 Ca 0.07 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3mag s ILE 94 Cb -0.16 -1.71 0.08 0.00 0.01 0.00 0.00 42.46 40.68 3mag s ILE 94 CO 0.10 0.52 0.72 -0.62 0.00 0.00 0.00 174.94 175.66 3mag s ASP 95 N 1.04 -0.60 0.45 3.58 -1.08 -0.91 -1.21 116.67 117.92 3mag s ASP 95 Ca -0.03 0.57 0.25 0.00 -0.52 0.00 0.00 52.55 52.82 3mag s ASP 95 Cb -0.14 0.51 0.55 0.00 -1.46 0.00 0.00 42.92 42.38 3mag s ASP 95 CO -0.05 -0.62 1.68 1.23 0.52 0.00 0.00 175.17 177.93 3mag h GLY 96 N 2.79 0.00 -1.56 2.66 0.00 -1.81 -0.99 103.07 104.17 3mag h GLY 96 Ca -0.27 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.62 3mag h GLY 96 CO 0.38 0.00 0.07 0.50 0.00 0.00 0.00 176.54 177.48 3mag s ARG 97 N -3.30 2.39 0.08 4.80 0.52 -1.26 -4.70 118.95 117.47 3mag s ARG 97 Ca 0.05 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.49 3mag s ARG 97 Cb 0.06 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 3mag s ARG 97 CO 0.65 -0.93 0.53 -1.01 0.02 0.00 0.00 175.30 174.56 3mag s HIS 98 N -2.95 3.74 0.54 -0.53 3.76 -1.26 -4.82 115.29 113.77 3mag s HIS 98 Ca 0.59 1.15 -0.12 0.00 -0.15 0.00 0.00 55.06 56.52 3mag s HIS 98 Cb -0.10 -2.41 -0.06 0.00 1.11 0.00 0.00 32.58 31.12 3mag s HIS 98 CO 0.41 0.56 0.96 -1.01 -0.85 0.00 0.00 174.74 174.81 3mag s HIS 99 N -1.20 3.54 0.19 1.40 0.09 -1.26 -4.39 115.29 113.66 3mag s HIS 99 Ca 0.30 1.28 -0.32 0.00 -0.00 0.00 0.00 55.06 56.33 3mag s HIS 99 Cb -0.18 -2.68 -0.11 0.00 -0.00 0.00 0.00 32.58 29.61 3mag s HIS 99 CO 0.18 -0.47 1.68 0.34 -0.00 0.00 0.00 174.74 176.48 3mag s ASP 100 N -3.64 6.44 0.12 1.40 -1.08 -0.35 -4.86 116.67 114.70 3mag s ASP 100 Ca 0.55 2.79 0.07 0.00 -0.52 0.00 0.00 52.55 55.45 3mag s ASP 100 Cb -0.10 -2.60 0.39 0.00 -1.46 0.00 0.00 42.92 39.15 3mag s ASP 100 CO 0.42 -0.93 1.16 -2.65 0.52 0.00 0.00 175.17 173.69 3mag n PRO 101 N 4.06 0.05 0.11 4.34 -0.02 -1.26 -1.48 135.00 140.80 3mag n PRO 101 Ca 0.15 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 3mag n PRO 101 Cb 0.36 -1.73 0.46 0.00 -0.02 0.00 0.00 33.50 32.57 3mag n PRO 101 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3mag n ILE 102 N -1.72 0.90 0.96 4.25 -5.35 -1.26 -1.86 119.36 115.27 3mag n ILE 102 Ca -0.00 0.28 0.13 0.00 -0.27 0.00 0.00 62.75 62.88 3mag n ILE 102 Cb 0.09 -1.19 0.38 0.00 -1.74 0.00 0.00 39.64 37.18 3mag n ILE 102 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3mag n LEU 103 N -2.11 0.35 -4.81 7.28 4.77 -0.55 -4.92 117.00 117.01 3mag n LEU 103 Ca 0.02 0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 3mag n LEU 103 Cb 0.20 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3mag n LEU 103 CO 0.17 0.06 0.71 0.20 -1.33 0.00 0.00 177.39 177.20 3mag s ASN 104 N -3.14 4.87 -0.68 -1.43 0.02 -0.78 -4.31 114.94 109.49 3mag s ASN 104 Ca 0.12 1.43 0.00 0.00 -1.02 0.00 0.00 52.86 53.39 3mag s ASN 104 Cb 0.18 -2.22 0.00 0.00 0.02 0.00 0.00 41.25 39.22 3mag s ASN 104 CO 0.64 -1.74 0.00 0.61 0.02 0.00 0.00 177.10 176.62 3mag n GLY 105 N -2.07 0.85 3.27 0.66 0.00 -1.26 -5.02 105.19 101.62 3mag n GLY 105 Ca 0.07 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 3mag n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mag s LEU 106 N -1.46 2.61 0.54 0.99 1.43 -1.26 -4.99 118.68 116.54 3mag s LEU 106 Ca 0.00 -0.45 0.25 0.00 -1.03 0.00 0.00 54.13 52.89 3mag s LEU 106 Cb 0.00 -1.62 1.51 0.00 0.03 0.00 0.00 46.19 46.10 3mag s LEU 106 CO 0.00 0.04 2.14 0.03 0.23 0.00 0.00 176.35 178.79 3mag h ARG 107 N 7.67 0.00 0.00 1.70 3.08 -1.96 -2.46 114.38 122.40 3mag h ARG 107 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3mag h ARG 107 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3mag h ARG 107 CO 0.60 0.07 -0.09 -0.40 -1.07 0.00 0.00 179.97 179.08 3mag n ASP 108 N -3.94 0.20 -4.11 7.04 5.75 -1.26 -4.75 116.55 115.49 3mag n ASP 108 Ca -0.03 0.40 -0.31 0.00 -0.01 0.00 0.00 54.79 54.84 3mag n ASP 108 Cb 0.16 -0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 39.66 3mag n ASP 108 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mag s VAL 109 N -3.02 1.82 -0.20 2.12 0.11 -0.93 -0.06 120.40 120.24 3mag s VAL 109 Ca 0.13 -0.82 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 3mag s VAL 109 Cb 0.18 -1.64 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 3mag s VAL 109 CO 0.57 0.50 0.05 -0.89 -3.33 0.00 0.00 175.10 172.00 3mag s THR 110 N 1.04 4.48 -0.18 5.04 2.01 -0.09 -4.64 115.64 123.31 3mag s THR 110 Ca -0.03 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 3mag s THR 110 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3mag s THR 110 CO -0.05 0.42 0.05 -0.76 -0.69 0.00 0.00 174.62 173.60 3mag s LEU 111 N 0.79 3.76 -0.05 4.42 1.43 -1.26 -0.70 118.68 127.06 3mag s LEU 111 Ca 0.03 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 3mag s LEU 111 Cb -0.14 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3mag s LEU 111 CO 0.02 0.18 -0.20 -0.69 0.23 0.00 0.00 176.35 175.89 3mag s VAL 112 N 0.31 1.68 -0.58 -1.59 1.01 0.11 -4.96 120.40 116.38 3mag s VAL 112 Ca 0.03 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3mag s VAL 112 Cb -0.12 -1.44 0.15 0.00 0.00 0.00 0.00 36.38 34.97 3mag s VAL 112 CO 0.00 0.47 0.46 -0.89 0.00 0.00 0.00 175.10 175.15 3mag s THR 113 N 0.04 4.46 -0.27 3.92 2.01 -1.25 -2.15 115.64 122.40 3mag s THR 113 Ca -0.06 -2.16 -0.25 0.00 0.31 0.00 0.00 61.69 59.52 3mag s THR 113 Cb -0.13 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.61 3mag s THR 113 CO 0.03 -0.86 0.93 -0.13 -0.69 0.00 0.00 174.62 173.91 3mag s ARG 114 N 0.82 0.62 -0.20 4.92 1.81 -0.37 -4.89 118.95 121.65 3mag s ARG 114 Ca 0.10 0.68 -0.18 0.00 -1.72 0.00 0.00 55.73 54.61 3mag s ARG 114 Cb -0.22 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.55 3mag s ARG 114 CO -0.03 -0.08 0.52 -0.06 -0.68 0.00 0.00 175.30 174.97 3mag s PHE 115 N 0.17 3.37 0.32 -0.53 0.08 -1.26 -2.84 117.98 117.28 3mag s PHE 115 Ca 0.02 0.77 -0.27 0.00 0.12 0.00 0.00 56.93 57.57 3mag s PHE 115 Cb -0.05 -2.68 -0.10 0.00 -0.57 0.00 0.00 43.02 39.63 3mag s PHE 115 CO -0.03 -0.11 0.97 0.14 -0.10 0.00 0.00 175.22 176.08 3mag s VAL 116 N 1.68 4.07 0.34 -0.44 -7.23 -1.26 -5.01 120.40 112.56 3mag s VAL 116 Ca 0.24 1.78 0.03 0.00 -1.81 0.00 0.00 61.98 62.22 3mag s VAL 116 Cb -0.15 -4.02 -0.04 0.00 0.56 0.00 0.00 36.38 32.73 3mag s VAL 116 CO 0.10 0.20 0.11 1.51 -0.31 0.00 0.00 175.10 176.70 3mag s ASP 117 N -1.49 2.18 0.24 4.85 1.47 -1.26 -5.03 116.67 117.64 3mag s ASP 117 Ca 0.49 -1.53 -0.05 0.00 1.18 0.00 0.00 52.55 52.65 3mag s ASP 117 Cb -0.21 0.27 0.40 0.00 -0.34 0.00 0.00 42.92 43.04 3mag s ASP 117 CO 0.27 -0.80 1.77 -0.08 0.68 0.00 0.00 175.17 177.00 3mag h GLU 118 N 2.05 0.56 -0.56 2.11 4.81 -1.97 -1.45 114.58 120.13 3mag h GLU 118 Ca -0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3mag h GLU 118 Cb 1.26 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3mag h GLU 118 CO 0.60 0.37 0.35 1.49 -0.73 0.00 0.00 179.01 181.09 3mag h GLU 119 N 0.58 0.74 -0.61 1.92 4.81 -2.00 -2.53 114.58 117.48 3mag h GLU 119 Ca 0.39 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3mag h GLU 119 Cb 0.48 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3mag h GLU 119 CO -0.32 0.51 0.02 -0.92 -0.73 0.00 0.00 179.01 177.58 3mag h TYR 120 N 0.75 1.15 -1.01 0.92 3.20 -1.79 -2.42 116.97 117.77 3mag h TYR 120 Ca 0.20 -0.19 0.11 0.00 3.14 0.00 0.00 58.73 61.99 3mag h TYR 120 Cb -0.06 -0.30 -0.08 0.00 1.54 0.00 0.00 36.73 37.83 3mag h TYR 120 CO -0.03 1.01 0.64 -0.07 -1.64 0.00 0.00 178.16 178.06 3mag h LEU 121 N 0.97 0.95 -0.42 2.82 3.38 -0.91 -1.06 115.31 121.03 3mag h LEU 121 Ca 0.18 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3mag h LEU 121 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3mag h LEU 121 CO 0.03 0.52 0.21 0.03 0.09 0.00 0.00 178.44 179.31 3mag h ARG 122 N 1.03 0.61 -0.31 1.13 3.08 -1.04 0.14 114.38 119.01 3mag h ARG 122 Ca 0.49 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.35 3mag h ARG 122 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3mag h ARG 122 CO -0.25 0.53 -0.22 0.66 -1.07 0.00 0.00 179.97 179.62 3mag h SER 123 N 0.54 0.60 0.66 7.04 4.64 -1.00 -1.32 113.55 124.71 3mag h SER 123 Ca 0.15 -0.20 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 3mag h SER 123 Cb 0.12 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3mag h SER 123 CO -0.02 0.81 -0.74 0.16 -0.87 0.00 0.00 176.83 176.17 3mag h ILE 124 N 0.53 1.50 -0.26 0.95 3.07 -0.92 -1.27 117.51 121.11 3mag h ILE 124 Ca 0.08 -2.47 -0.02 0.00 1.55 0.00 0.00 64.86 64.00 3mag h ILE 124 Cb 0.66 2.33 -0.01 0.00 -0.27 0.00 0.00 36.82 39.53 3mag h ILE 124 CO 0.05 0.71 0.08 0.50 -1.05 0.00 0.00 178.15 178.44 3mag h LYS 125 N 0.04 0.41 -0.69 0.16 1.63 -0.55 0.16 116.57 117.73 3mag h LYS 125 Ca -0.01 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3mag h LYS 125 Cb 1.31 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 3mag h LYS 125 CO 0.10 0.48 0.40 0.87 -3.45 0.00 0.00 179.45 177.86 3mag h LYS 126 N 0.26 0.94 0.00 1.90 1.57 -1.12 -1.73 116.57 118.39 3mag h LYS 126 Ca 0.08 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3mag h LYS 126 Cb 0.24 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3mag h LYS 126 CO -0.00 0.67 -0.80 -0.56 -0.57 0.00 0.00 179.45 178.19 3mag h GLN 127 N 0.96 0.00 0.00 3.15 3.07 -0.81 -3.28 115.11 118.20 3mag h GLN 127 Ca 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.84 3mag h GLN 127 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 3mag h GLN 127 CO -0.04 0.80 -0.72 -0.07 0.09 0.00 0.00 178.83 178.88 3mag h LEU 128 N 0.00 0.00 -9.38 0.06 4.07 -0.43 -3.46 115.31 106.17 3mag h LEU 128 Ca -0.01 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.32 3mag h LEU 128 Cb 1.58 0.00 0.09 0.00 1.08 0.00 0.00 40.66 43.40 3mag h LEU 128 CO 0.10 0.72 0.27 1.57 -1.08 0.00 0.00 178.44 180.02 3mag n HIS 129 N -3.28 1.35 -1.33 1.13 -0.00 -0.67 -1.12 115.22 111.30 3mag n HIS 129 Ca 0.01 0.66 -0.27 0.00 -0.00 0.00 0.00 57.72 58.12 3mag n HIS 129 Cb 0.82 -2.29 0.13 0.00 -0.00 0.00 0.00 29.99 28.66 3mag n HIS 129 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3mag n PRO 130 N 1.58 2.48 -2.30 1.57 -0.04 -1.26 -5.04 135.00 132.00 3mag n PRO 130 Ca 0.14 -3.21 -0.33 0.00 -0.04 0.00 0.00 63.50 60.05 3mag n PRO 130 Cb 0.27 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.51 3mag n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3mag s SER 131 N -1.75 6.05 0.17 3.54 0.01 -0.27 -5.01 113.70 116.43 3mag s SER 131 Ca 0.59 1.89 -0.30 0.00 1.31 0.00 0.00 55.95 59.44 3mag s SER 131 Cb 0.48 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 64.09 3mag s SER 131 CO 0.04 -0.98 1.01 -0.54 0.41 0.00 0.00 173.24 173.19 3mag s LYS 132 N -3.63 4.69 -0.09 12.44 -0.14 -1.26 -4.92 119.74 126.82 3mag s LYS 132 Ca 0.66 1.57 -0.00 0.00 -1.36 0.00 0.00 55.97 56.84 3mag s LYS 132 Cb -0.17 -3.31 -0.03 0.00 -1.68 0.00 0.00 37.83 32.64 3mag s LYS 132 CO 0.28 0.22 -0.07 0.42 -0.76 0.00 0.00 175.35 175.44 3mag s ILE 133 N -0.36 3.62 -0.21 2.17 1.01 -1.26 -0.85 121.20 125.32 3mag s ILE 133 Ca 0.47 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 3mag s ILE 133 Cb -0.26 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.71 3mag s ILE 133 CO 0.33 0.57 -0.11 -0.63 0.00 0.00 0.00 174.94 175.09 3mag s ILE 134 N -0.43 2.75 -0.12 2.92 1.01 -0.54 0.08 121.20 126.86 3mag s ILE 134 Ca 0.06 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 3mag s ILE 134 Cb -0.12 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3mag s ILE 134 CO 0.02 0.43 0.20 -0.22 0.00 0.00 0.00 174.94 175.37 3mag s LEU 135 N 1.37 4.36 -0.10 2.97 2.96 -0.59 -0.49 118.68 129.17 3mag s LEU 135 Ca 0.04 0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 54.47 3mag s LEU 135 Cb -0.14 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.38 3mag s LEU 135 CO -0.07 0.32 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.58 3mag s ILE 136 N -0.65 0.89 -0.09 6.68 1.01 -0.20 -1.22 121.20 127.63 3mag s ILE 136 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3mag s ILE 136 Cb -0.13 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.42 3mag s ILE 136 CO 0.05 0.34 -0.23 -0.55 0.00 0.00 0.00 174.94 174.54 3mag s SER 137 N 1.60 2.97 -0.04 3.58 0.15 -0.30 -0.90 113.70 120.76 3mag s SER 137 Ca 0.02 -0.53 0.15 0.00 0.70 0.00 0.00 55.95 56.30 3mag s SER 137 Cb -0.13 -1.27 0.28 0.00 -1.71 0.00 0.00 66.02 63.19 3mag s SER 137 CO -0.06 0.16 1.12 -0.67 1.20 0.00 0.00 173.24 174.99 3mag n ASP 138 N 3.45 0.88 -4.77 5.45 2.03 -0.24 -2.69 116.55 120.67 3mag n ASP 138 Ca -0.19 -2.32 -0.40 0.00 0.52 0.00 0.00 54.79 52.40 3mag n ASP 138 Cb 0.53 -0.31 0.02 0.00 -0.72 0.00 0.00 41.12 40.64 3mag n ASP 138 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3mag n VAL 139 N -0.00 2.73 -3.76 5.18 0.24 -1.24 -4.82 118.33 116.65 3mag n VAL 139 Ca 0.06 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.72 3mag n VAL 139 Cb 0.91 -1.88 -0.15 0.00 -1.47 0.00 0.00 33.84 31.25 3mag n VAL 139 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3mag s ARG 140 N -2.42 0.01 0.00 7.34 0.52 -1.26 -5.02 118.95 118.12 3mag s ARG 140 Ca 0.60 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 3mag s ARG 140 Cb -0.45 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 34.80 3mag s ARG 140 CO 0.58 -0.17 0.95 0.43 0.02 0.00 0.00 175.30 177.11 3mag n SER 141 N 4.19 0.00 0.00 0.23 7.64 -1.26 -5.17 113.62 119.25 3mag n SER 141 Ca -0.27 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.55 3mag n SER 141 Cb 0.51 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3mag n SER 141 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3mag n PRO 148 N -1.89 -0.13 -1.12 1.43 -0.02 -1.26 -5.13 135.00 126.87 3mag n PRO 148 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 3mag n PRO 148 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 33.50 33.61 3mag n PRO 148 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mag s SER 149 N 0.00 3.57 0.44 2.55 1.04 -1.26 -4.82 113.70 115.21 3mag s SER 149 Ca 0.00 1.67 0.13 0.00 0.48 0.00 0.00 55.95 58.23 3mag s SER 149 Cb 0.00 -2.33 0.96 0.00 0.10 0.00 0.00 66.02 64.76 3mag s SER 149 CO 0.00 -2.61 1.98 0.74 0.98 0.00 0.00 173.24 174.34 3mag h THR 150 N -1.53 1.13 -0.60 2.02 2.02 -2.00 -1.13 112.91 112.83 3mag h THR 150 Ca -0.48 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.02 3mag h THR 150 Cb 1.27 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 3mag h THR 150 CO 0.52 0.18 0.13 0.00 0.37 0.00 0.00 175.52 176.72 3mag h ALA 151 N 1.79 0.79 0.15 6.16 0.00 -1.92 -0.73 119.26 125.50 3mag h ALA 151 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3mag h ALA 151 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3mag h ALA 151 CO 0.02 0.51 -0.07 -0.44 0.00 0.00 0.00 179.25 179.27 3mag h ASP 152 N 0.88 -0.17 0.04 0.00 3.32 -1.59 -2.08 116.42 116.82 3mag h ASP 152 Ca 0.19 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.23 3mag h ASP 152 Cb 0.38 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3mag h ASP 152 CO 0.01 -0.08 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.19 3mag h LEU 153 N -0.24 -0.54 -0.79 1.55 3.38 -1.09 -0.32 115.31 117.26 3mag h LEU 153 Ca -0.02 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.15 3mag h LEU 153 Cb 0.19 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 3mag h LEU 153 CO 0.03 -0.26 0.39 -0.07 0.09 0.00 0.00 178.44 178.63 3mag h LEU 154 N -0.33 0.48 -0.57 1.67 3.38 -1.09 0.24 115.31 119.10 3mag h LEU 154 Ca 0.04 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3mag h LEU 154 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3mag h LEU 154 CO -0.15 0.23 0.37 -1.28 0.09 0.00 0.00 178.44 177.71 3mag h SER 155 N 0.61 0.65 -0.20 -0.43 0.87 -0.78 0.84 113.55 115.10 3mag h SER 155 Ca 0.42 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 3mag h SER 155 Cb 0.54 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3mag h SER 155 CO -0.33 0.47 0.13 0.78 -0.53 0.00 0.00 176.83 177.35 3mag h ASN 156 N 0.77 0.24 -0.44 6.23 -0.26 0.90 -1.59 115.58 121.42 3mag h ASN 156 Ca 0.21 -0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.86 3mag h ASN 156 Cb -0.09 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 3mag h ASN 156 CO -0.04 0.19 0.06 1.88 -1.06 0.00 0.00 177.43 178.45 3mag h TYR 157 N 0.26 0.86 -0.66 1.19 0.05 -0.30 -0.94 116.97 117.42 3mag h TYR 157 Ca 0.07 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3mag h TYR 157 Cb -0.01 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 3mag h TYR 157 CO -0.06 0.76 0.22 0.00 -1.05 0.00 0.00 178.16 178.04 3mag h ALA 158 N 1.29 0.87 -0.68 3.88 0.00 -0.53 -1.68 119.26 122.41 3mag h ALA 158 Ca 0.16 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3mag h ALA 158 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mag h ALA 158 CO 0.01 0.53 0.13 1.25 0.00 0.00 0.00 179.25 181.17 3mag h LEU 159 N 0.96 1.05 -1.13 0.00 5.85 -0.79 -2.03 115.31 119.22 3mag h LEU 159 Ca 0.22 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3mag h LEU 159 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3mag h LEU 159 CO -0.01 1.03 0.25 1.56 -0.34 0.00 0.00 178.44 180.93 3mag h GLN 160 N 1.03 0.86 -0.06 1.25 4.20 -0.87 -0.59 115.11 120.93 3mag h GLN 160 Ca 0.21 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3mag h GLN 160 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3mag h GLN 160 CO 0.01 0.70 -0.52 -0.91 -0.67 0.00 0.00 178.83 177.43 3mag h ASN 161 N 0.85 0.17 0.91 1.46 2.35 -0.83 -2.84 115.58 117.67 3mag h ASN 161 Ca 0.21 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 3mag h ASN 161 Cb 0.15 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3mag h ASN 161 CO -0.02 0.67 -0.39 0.58 -1.65 0.00 0.00 177.43 176.61 3mag h VAL 162 N 0.13 0.89 -0.29 2.81 2.07 -0.65 -1.88 116.25 119.32 3mag h VAL 162 Ca 0.00 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 3mag h VAL 162 Cb 0.97 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3mag h VAL 162 CO 0.08 0.39 0.06 0.24 0.02 0.00 0.00 177.57 178.35 3mag h MET 163 N 0.00 0.48 -0.31 1.57 2.86 -0.91 -1.25 114.93 117.37 3mag h MET 163 Ca -0.00 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 3mag h MET 163 Cb 0.96 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3mag h MET 163 CO 0.05 0.57 -0.25 0.82 1.06 0.00 0.00 176.91 179.16 3mag h ILE 164 N 0.30 1.30 -0.20 -1.22 2.04 -1.33 0.14 117.51 118.54 3mag h ILE 164 Ca 0.09 -1.41 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 3mag h ILE 164 Cb 0.32 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3mag h ILE 164 CO 0.00 0.45 -0.33 0.77 0.00 0.00 0.00 178.15 179.04 3mag h SER 165 N 0.48 0.42 0.04 1.72 4.64 -1.29 0.11 113.55 119.67 3mag h SER 165 Ca 0.06 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.00 3mag h SER 165 Cb 0.82 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 3mag h SER 165 CO 0.07 0.73 -1.18 0.40 -0.87 0.00 0.00 176.83 175.98 3mag h ILE 166 N 0.35 1.04 0.00 0.95 2.04 -1.26 -3.38 117.51 117.25 3mag h ILE 166 Ca 0.04 -2.26 -0.12 0.00 1.00 0.00 0.00 64.86 63.52 3mag h ILE 166 Cb 0.76 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 3mag h ILE 166 CO 0.06 0.49 -0.57 -0.07 0.00 0.00 0.00 178.15 178.06 3mag h LEU 167 N -0.76 0.00 -2.50 1.44 4.07 -0.80 -3.48 115.31 113.29 3mag h LEU 167 Ca -0.30 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.22 3mag h LEU 167 Cb 1.42 0.00 0.04 0.00 1.08 0.00 0.00 40.66 43.21 3mag h LEU 167 CO -0.10 0.57 -0.90 -3.20 -1.08 0.00 0.00 178.44 173.74 3mag n ASN 168 N -3.82 -3.00 -4.73 -0.43 4.05 0.38 -4.85 115.26 102.86 3mag n ASN 168 Ca -0.01 -0.96 -0.30 0.00 0.45 0.00 0.00 54.58 53.76 3mag n ASN 168 Cb 0.58 -3.50 0.13 0.00 1.23 0.00 0.00 39.78 38.22 3mag n ASN 168 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3mag s PRO 169 N -6.09 1.47 0.37 1.20 0.04 -1.26 -4.75 135.00 125.98 3mag s PRO 169 Ca 0.23 0.87 0.22 0.00 0.04 0.00 0.00 61.00 62.37 3mag s PRO 169 Cb -0.08 -1.83 0.23 0.00 0.04 0.00 0.00 34.50 32.86 3mag s PRO 169 CO 0.85 -2.11 1.45 -0.39 0.04 0.00 0.00 177.00 176.84 3mag h VAL 170 N -1.46 0.06 -2.50 -0.36 -1.51 -0.68 -3.42 116.25 106.38 3mag h VAL 170 Ca -0.48 -1.09 0.05 0.00 -1.23 0.00 0.00 66.70 63.95 3mag h VAL 170 Cb 1.27 1.91 -0.15 0.00 -2.13 0.00 0.00 31.29 32.19 3mag h VAL 170 CO 0.54 0.04 0.38 0.00 -1.23 0.00 0.00 177.57 177.29 3mag s ALA 171 N -3.23 -1.74 0.02 5.19 0.00 -1.25 -0.80 121.76 119.95 3mag s ALA 171 Ca 0.05 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 3mag s ALA 171 Cb 0.06 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3mag s ALA 171 CO 0.71 -0.68 0.26 -1.54 0.00 0.00 0.00 175.76 174.51 3mag s SER 172 N -2.45 -0.09 -0.16 0.00 1.04 0.10 -1.54 113.70 110.60 3mag s SER 172 Ca 0.02 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 3mag s SER 172 Cb -0.01 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.46 3mag s SER 172 CO -0.09 -0.53 -0.05 -0.55 0.98 0.00 0.00 173.24 173.00 3mag s SER 173 N -1.78 2.71 -0.00 7.02 0.15 -0.36 -1.27 113.70 120.17 3mag s SER 173 Ca -0.09 -0.60 0.08 0.00 0.70 0.00 0.00 55.95 56.04 3mag s SER 173 Cb -0.03 -0.89 -0.02 0.00 -1.71 0.00 0.00 66.02 63.37 3mag s SER 173 CO -0.01 -0.18 -0.25 -0.76 1.20 0.00 0.00 173.24 173.24 3mag s LEU 174 N 1.65 2.08 0.19 3.45 1.43 0.12 -1.15 118.68 126.45 3mag s LEU 174 Ca 0.01 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.32 3mag s LEU 174 Cb -0.15 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 44.69 3mag s LEU 174 CO -0.08 0.29 1.53 -0.75 0.23 0.00 0.00 176.35 177.57 3mag s LYS 175 N -0.76 4.23 -0.15 1.70 2.20 -1.09 -0.71 119.74 125.16 3mag s LYS 175 Ca 0.10 2.35 -0.04 0.00 -0.36 0.00 0.00 55.97 58.02 3mag s LYS 175 Cb -0.10 -3.14 0.06 0.00 -1.51 0.00 0.00 37.83 33.15 3mag s LYS 175 CO -0.00 -0.55 0.14 -0.46 -0.36 0.00 0.00 175.35 174.11 3mag s TRP 176 N 0.75 -0.02 -0.10 4.03 -0.00 -0.89 -4.85 118.94 117.86 3mag s TRP 176 Ca 0.66 0.08 -0.03 0.00 -0.00 0.00 0.00 56.10 56.81 3mag s TRP 176 Cb -0.43 -0.49 0.04 0.00 -0.00 0.00 0.00 33.47 32.58 3mag s TRP 176 CO 0.35 -0.45 0.05 0.50 -0.00 0.00 0.00 176.95 177.40 3mag s ARG 177 N 2.22 0.22 0.24 5.86 3.52 -1.26 -0.66 118.95 129.09 3mag s ARG 177 Ca 0.04 0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 3mag s ARG 177 Cb -0.15 -1.11 -0.09 0.00 -1.56 0.00 0.00 34.95 32.04 3mag s ARG 177 CO -0.08 -0.44 1.32 0.00 -0.81 0.00 0.00 175.30 175.29 3mag n PRO 179 N 2.16 0.50 -2.37 0.00 -0.02 -1.26 -4.93 135.00 129.07 3mag n PRO 179 Ca 0.05 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 3mag n PRO 179 Cb 0.42 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3mag n PRO 179 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3mag s PHE 180 N -1.85 3.43 0.36 6.00 0.08 -1.26 -4.82 117.98 119.91 3mag s PHE 180 Ca 0.75 1.60 0.10 0.00 0.12 0.00 0.00 56.93 59.50 3mag s PHE 180 Cb -0.33 -3.40 0.84 0.00 -0.57 0.00 0.00 43.02 39.56 3mag s PHE 180 CO 0.48 -0.95 1.88 -1.00 -0.10 0.00 0.00 175.22 175.53 3mag h PRO 181 N 3.86 0.64 0.00 0.24 0.13 -1.88 -0.55 132.00 134.44 3mag h PRO 181 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3mag h PRO 181 Cb 1.22 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3mag h PRO 181 CO 0.67 0.43 0.00 -0.40 -0.23 0.00 0.00 178.00 178.47 3mag n ASP 182 N -4.55 0.00 -1.75 1.44 5.75 -1.26 -2.81 116.55 113.37 3mag n ASP 182 Ca 0.17 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.26 3mag n ASP 182 Cb 0.47 -0.01 0.06 0.00 -1.03 0.00 0.00 41.12 40.61 3mag n ASP 182 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mag n GLN 183 N -1.01 1.16 -2.11 0.11 6.02 -0.23 -5.10 117.38 116.23 3mag n GLN 183 Ca 0.17 -2.89 -0.34 0.00 -0.01 0.00 0.00 57.00 53.93 3mag n GLN 183 Cb 0.08 -0.98 0.02 0.00 1.02 0.00 0.00 30.24 30.37 3mag n GLN 183 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3mag s TRP 184 N -2.02 2.66 0.02 1.08 -0.11 -1.12 -4.71 118.94 114.74 3mag s TRP 184 Ca 0.35 1.55 0.00 0.00 1.22 0.00 0.00 56.10 59.21 3mag s TRP 184 Cb 0.37 -3.25 0.00 0.00 -1.50 0.00 0.00 33.47 29.09 3mag s TRP 184 CO -0.09 -1.59 0.00 -0.89 -4.62 0.00 0.00 176.95 169.75 3mag n ILE 185 N -1.64 0.09 -3.49 5.86 5.41 -1.26 -5.11 119.36 119.20 3mag n ILE 185 Ca 0.11 0.03 -0.09 0.00 1.00 0.00 0.00 62.75 63.80 3mag n ILE 185 Cb 0.51 -1.12 -0.02 0.00 -0.71 0.00 0.00 39.64 38.30 3mag n ILE 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3mag s LYS 186 N -2.00 0.88 0.68 0.38 -2.85 -1.26 -5.15 119.74 110.41 3mag s LYS 186 Ca 0.00 -0.30 -0.14 0.00 -1.00 0.00 0.00 55.97 54.53 3mag s LYS 186 Cb 0.00 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 3mag s LYS 186 CO 0.00 -0.38 1.09 -0.51 0.10 0.00 0.00 175.35 175.65 3mag s ASP 187 N -2.46 5.12 0.28 0.03 1.01 -1.26 -4.96 116.67 114.43 3mag s ASP 187 Ca 0.04 1.88 -0.15 0.00 0.71 0.00 0.00 52.55 55.03 3mag s ASP 187 Cb -0.01 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.40 3mag s ASP 187 CO -0.09 -1.62 0.59 0.72 0.21 0.00 0.00 175.17 174.98 3mag s PHE 188 N -2.58 0.23 0.00 4.23 -0.71 -1.05 -4.97 117.98 113.13 3mag s PHE 188 Ca 0.64 -0.65 0.06 0.00 -1.04 0.00 0.00 56.93 55.93 3mag s PHE 188 Cb -0.18 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 3mag s PHE 188 CO 0.46 -1.15 -0.16 0.71 -1.34 0.00 0.00 175.22 173.73 3mag s TYR 189 N -3.69 2.62 0.13 3.49 1.51 -1.26 0.24 117.35 120.40 3mag s TYR 189 Ca 0.19 -0.22 0.07 0.00 -1.01 0.00 0.00 57.07 56.10 3mag s TYR 189 Cb -0.03 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 3mag s TYR 189 CO 0.10 0.22 -0.15 0.96 -1.11 0.00 0.00 175.55 175.57 3mag s ILE 190 N -0.85 1.45 0.54 2.71 -4.36 -0.68 -4.91 121.20 115.10 3mag s ILE 190 Ca 0.14 -1.74 -0.21 0.00 -0.26 0.00 0.00 60.65 58.57 3mag s ILE 190 Cb -0.11 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.97 3mag s ILE 190 CO 0.04 -0.37 1.29 -2.84 0.24 0.00 0.00 174.94 173.29 3mag s PRO 191 N -2.64 3.22 0.20 0.37 0.02 -1.26 -0.65 135.00 134.26 3mag s PRO 191 Ca 0.10 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 3mag s PRO 191 Cb -0.05 -2.22 -0.08 0.00 0.02 0.00 0.00 34.50 32.17 3mag s PRO 191 CO 0.04 -1.07 1.13 -1.58 -0.33 0.00 0.00 177.00 175.19 3mag s HIS 192 N -1.41 3.53 0.03 6.54 2.46 0.00 -4.73 115.29 121.72 3mag s HIS 192 Ca 0.71 1.56 -0.21 0.00 0.47 0.00 0.00 55.06 57.59 3mag s HIS 192 Cb -0.36 -3.33 0.07 0.00 -0.13 0.00 0.00 32.58 28.83 3mag s HIS 192 CO 0.42 -0.80 0.96 0.41 -2.47 0.00 0.00 174.74 173.25 3mag n GLY 193 N 1.94 0.44 3.77 1.59 0.00 -1.26 -4.66 105.19 107.00 3mag n GLY 193 Ca 0.03 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 3mag n GLY 193 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mag s ASN 194 N -3.16 7.08 -1.15 1.61 -0.87 -0.11 -4.80 114.94 113.54 3mag s ASN 194 Ca 0.22 1.29 -0.16 0.00 -1.57 0.00 0.00 52.86 52.64 3mag s ASN 194 Cb -0.01 -2.40 0.14 0.00 -0.02 0.00 0.00 41.25 38.96 3mag s ASN 194 CO 0.01 0.13 1.41 -0.54 -2.57 0.00 0.00 177.10 175.54 3mag s LYS 195 N -0.43 3.94 -0.06 -0.60 -0.14 -1.26 -1.44 119.74 119.75 3mag s LYS 195 Ca 0.33 -2.24 -0.30 0.00 -1.36 0.00 0.00 55.97 52.40 3mag s LYS 195 Cb -0.19 -5.12 -0.04 0.00 -1.68 0.00 0.00 37.83 30.79 3mag s LYS 195 CO 0.20 -1.87 1.43 1.41 -0.76 0.00 0.00 175.35 175.76 3mag s MET 196 N 2.40 4.24 0.50 1.68 1.75 0.24 -1.60 119.30 128.52 3mag s MET 196 Ca 0.42 1.94 -0.19 0.00 -1.25 0.00 0.00 55.69 56.61 3mag s MET 196 Cb -0.02 -3.74 -0.08 0.00 2.84 0.00 0.00 34.83 33.83 3mag s MET 196 CO -0.01 -0.69 1.02 -0.51 -0.65 0.00 0.00 175.02 174.18 3mag s LEU 197 N 3.17 3.75 -0.25 4.11 1.02 -0.73 -0.53 118.68 129.22 3mag s LEU 197 Ca 0.64 1.79 0.02 0.00 0.02 0.00 0.00 54.13 56.60 3mag s LEU 197 Cb -0.29 -4.54 0.05 0.00 0.02 0.00 0.00 46.19 41.43 3mag s LEU 197 CO 0.24 -0.75 -0.11 -1.10 0.02 0.00 0.00 176.35 174.65 3mag s GLN 198 N -3.56 2.46 0.61 1.70 -0.21 -1.26 -4.91 119.66 114.48 3mag s GLN 198 Ca 0.64 -1.21 -0.19 0.00 0.02 0.00 0.00 55.36 54.62 3mag s GLN 198 Cb -0.14 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 30.98 3mag s GLN 198 CO 0.24 -0.49 1.25 -1.25 -2.12 0.00 0.00 175.29 172.92 3mag s PRO 199 N 1.17 2.83 -1.82 2.91 0.04 -1.26 -2.93 135.00 135.95 3mag s PRO 199 Ca -0.05 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.93 3mag s PRO 199 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3mag s PRO 199 CO -0.06 -1.34 0.00 1.19 0.04 0.00 0.00 177.00 176.82 3mag n PHE 200 N -1.66 -0.09 -1.47 0.56 3.72 -1.26 -4.56 117.46 112.70 3mag n PHE 200 Ca 0.14 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.24 3mag n PHE 200 Cb 0.49 -3.06 0.10 0.00 -0.94 0.00 0.00 39.48 36.07 3mag n PHE 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mag s ALA 201 N -2.68 2.09 0.73 4.37 0.00 -1.15 -4.59 121.76 120.53 3mag s ALA 201 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 3mag s ALA 201 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3mag s ALA 201 CO 0.00 -1.87 0.93 -2.30 0.00 0.00 0.00 175.76 172.52 3mag n PRO 202 N -3.53 0.47 -0.33 0.00 -0.02 -1.26 -4.84 135.00 125.49 3mag n PRO 202 Ca 0.07 0.22 0.20 0.00 -2.02 0.00 0.00 63.50 61.97 3mag n PRO 202 Cb 0.56 -2.19 0.39 0.00 -0.02 0.00 0.00 33.50 32.24 3mag n PRO 202 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3mag h SER 203 N -0.29 -0.10 0.00 2.55 0.02 -1.04 -1.83 113.55 112.86 3mag h SER 203 Ca -0.47 0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3mag h SER 203 Cb 1.33 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 64.23 3mag h SER 203 CO 0.46 -0.34 -0.37 -1.22 -1.14 0.00 0.00 176.83 174.22 3mag n TYR 204 N -5.35 0.00 -2.34 3.45 4.01 -1.26 -4.76 117.16 110.91 3mag n TYR 204 Ca 0.28 -1.33 -0.40 0.00 -0.16 0.00 0.00 57.90 56.29 3mag n TYR 204 Cb 0.92 -0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 3mag n TYR 204 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3mag s SER 205 N -3.09 7.05 -0.12 7.72 0.15 -0.69 -4.93 113.70 119.78 3mag s SER 205 Ca 0.36 2.43 0.16 0.00 0.70 0.00 0.00 55.95 59.59 3mag s SER 205 Cb 0.34 -2.63 0.57 0.00 -1.71 0.00 0.00 66.02 62.59 3mag s SER 205 CO -0.04 -0.31 1.48 0.00 1.20 0.00 0.00 173.24 175.57 3mag n ALA 206 N 0.98 2.91 -2.17 5.45 0.00 -1.26 -4.93 120.51 121.49 3mag n ALA 206 Ca -0.00 -1.76 -0.40 0.00 0.00 0.00 0.00 53.44 51.28 3mag n ALA 206 Cb 0.44 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 3mag n ALA 206 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mag s GLU 207 N -2.05 4.51 0.16 0.00 2.12 -1.26 -4.50 118.70 117.68 3mag s GLU 207 Ca 0.42 1.09 0.03 0.00 0.36 0.00 0.00 54.97 56.87 3mag s GLU 207 Cb 0.29 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 3mag s GLU 207 CO 0.17 0.46 0.09 0.00 -0.54 0.00 0.00 175.26 175.44 3mag n MET 208 N 2.08 0.48 -4.61 4.30 0.00 0.17 -4.58 117.12 114.96 3mag n MET 208 Ca -0.05 -1.46 -0.29 0.00 0.00 0.00 0.00 57.70 55.90 3mag n MET 208 Cb 0.49 0.99 -0.17 0.00 0.00 0.00 0.00 33.22 34.54 3mag n MET 208 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3mag s ARG 209 N -2.63 2.43 -0.38 3.17 1.81 0.31 -2.09 118.95 121.58 3mag s ARG 209 Ca 0.13 -0.64 -0.22 0.00 -1.72 0.00 0.00 55.73 53.28 3mag s ARG 209 Cb 0.01 -2.00 0.01 0.00 -0.45 0.00 0.00 34.95 32.52 3mag s ARG 209 CO 0.09 -0.01 0.71 -1.17 -0.68 0.00 0.00 175.30 174.24 3mag s LEU 210 N 0.84 4.22 -0.28 2.53 2.96 0.11 -0.59 118.68 128.47 3mag s LEU 210 Ca -0.09 0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 3mag s LEU 210 Cb -0.15 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 3mag s LEU 210 CO 0.00 -0.70 0.08 -0.76 -1.32 0.00 0.00 176.35 173.65 3mag s LEU 211 N 2.94 3.69 0.06 -0.68 1.43 -0.52 -0.70 118.68 124.90 3mag s LEU 211 Ca 0.28 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3mag s LEU 211 Cb -0.14 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3mag s LEU 211 CO 0.17 -0.13 -0.16 -0.44 0.23 0.00 0.00 176.35 176.01 3mag s SER 212 N 1.55 1.95 -0.11 2.29 0.01 -0.40 -0.94 113.70 118.06 3mag s SER 212 Ca 0.04 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.78 3mag s SER 212 Cb -0.16 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 65.96 3mag s SER 212 CO 0.03 0.04 -0.16 -0.63 0.41 0.00 0.00 173.24 172.93 3mag s ILE 213 N -0.98 1.55 -0.40 1.44 1.01 -1.26 -0.72 121.20 121.84 3mag s ILE 213 Ca 0.03 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 3mag s ILE 213 Cb -0.09 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3mag s ILE 213 CO 0.02 0.45 0.46 -0.31 0.00 0.00 0.00 174.94 175.57 3mag s TYR 214 N 0.99 3.16 0.03 3.97 2.02 0.02 -4.96 117.35 122.58 3mag s TYR 214 Ca -0.06 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3mag s TYR 214 Cb -0.15 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.44 3mag s TYR 214 CO -0.02 -0.67 0.16 0.99 -1.57 0.00 0.00 175.55 174.44 3mag s THR 215 N 2.24 5.16 0.00 -0.71 2.01 -1.26 -4.84 115.64 118.24 3mag s THR 215 Ca 0.14 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.77 3mag s THR 215 Cb -0.16 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.90 3mag s THR 215 CO 0.14 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3mag n GLY 216 N 0.69 0.90 0.70 4.40 0.00 -1.26 -3.76 105.19 106.86 3mag n GLY 216 Ca -0.09 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.28 3mag n GLY 216 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mag n GLU 217 N 0.00 2.66 -3.59 1.61 0.28 -1.26 -5.02 120.64 115.32 3mag n GLU 217 Ca 0.00 -2.65 -0.31 0.00 -0.16 0.00 0.00 57.16 54.04 3mag n GLU 217 Cb 0.00 -1.69 -0.05 0.00 1.43 0.00 0.00 31.44 31.14 3mag n GLU 217 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3mag s ASN 218 N -1.93 6.50 -0.10 -1.84 -0.87 -1.25 -5.09 114.94 110.36 3mag s ASN 218 Ca 0.37 0.65 -0.01 0.00 -1.57 0.00 0.00 52.86 52.29 3mag s ASN 218 Cb 0.29 -2.11 0.03 0.00 -0.02 0.00 0.00 41.25 39.44 3mag s ASN 218 CO 0.09 -0.00 -0.02 -0.32 -2.57 0.00 0.00 177.10 174.27 3mag s MET 219 N -2.84 0.97 -0.19 -0.60 1.75 -1.26 -4.72 119.30 112.42 3mag s MET 219 Ca 0.42 -0.11 -0.06 0.00 -1.25 0.00 0.00 55.69 54.69 3mag s MET 219 Cb -0.12 -1.37 -0.03 0.00 2.84 0.00 0.00 34.83 36.15 3mag s MET 219 CO 0.25 -0.34 0.03 0.50 -0.65 0.00 0.00 175.02 174.81 3mag s ARG 220 N 1.85 3.82 0.40 4.11 3.52 -1.26 -5.08 118.95 126.31 3mag s ARG 220 Ca 0.04 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 55.29 3mag s ARG 220 Cb -0.13 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 3mag s ARG 220 CO -0.07 0.17 0.12 -0.51 -0.81 0.00 0.00 175.30 174.21 3mag s LEU 221 N 0.61 3.06 -0.04 -0.88 1.43 -1.26 -0.82 118.68 120.78 3mag s LEU 221 Ca 0.01 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 51.99 3mag s LEU 221 Cb -0.13 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.78 3mag s LEU 221 CO 0.02 -0.47 0.09 0.42 0.23 0.00 0.00 176.35 176.64 3mag s THR 222 N -2.60 -0.04 0.40 5.49 -4.23 0.18 -4.72 115.64 110.11 3mag s THR 222 Ca 0.39 0.14 -0.25 0.00 -1.18 0.00 0.00 61.69 60.79 3mag s THR 222 Cb 0.04 -0.15 -0.09 0.00 1.34 0.00 0.00 72.50 73.64 3mag s THR 222 CO 0.21 0.06 1.11 -0.60 -0.54 0.00 0.00 174.62 174.86 3mag s ARG 223 N 0.82 4.12 -0.14 3.99 3.52 -1.26 -1.68 118.95 128.31 3mag s ARG 223 Ca -0.06 1.67 0.01 0.00 -0.13 0.00 0.00 55.73 57.21 3mag s ARG 223 Cb -0.09 -2.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 3mag s ARG 223 CO -0.03 -0.22 -0.15 0.54 -0.81 0.00 0.00 175.30 174.63 3mag s VAL 224 N -1.52 1.60 0.40 7.11 0.11 0.14 -4.95 120.40 123.29 3mag s VAL 224 Ca 0.57 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 3mag s VAL 224 Cb -0.26 -1.49 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 3mag s VAL 224 CO 0.33 0.46 0.26 0.42 -3.33 0.00 0.00 175.10 173.24 3mag s THR 225 N 1.37 2.59 0.40 5.04 -4.23 -1.26 -2.53 115.64 117.02 3mag s THR 225 Ca 0.03 -1.54 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 3mag s THR 225 Cb -0.13 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.98 3mag s THR 225 CO -0.09 -0.03 2.03 0.50 -0.54 0.00 0.00 174.62 176.48 3mag h LYS 226 N 1.27 0.59 -0.23 3.99 3.64 -1.97 0.18 116.57 124.03 3mag h LYS 226 Ca -0.42 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 3mag h LYS 226 Cb 1.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3mag h LYS 226 CO 0.63 0.39 -0.20 0.66 -2.27 0.00 0.00 179.45 178.67 3mag h SER 227 N 0.61 0.41 -0.49 4.20 4.64 -1.99 -0.30 113.55 120.63 3mag h SER 227 Ca 0.21 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3mag h SER 227 Cb 0.07 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3mag h SER 227 CO -0.05 0.62 -0.04 0.44 -0.87 0.00 0.00 176.83 176.93 3mag h ASP 228 N 0.38 0.89 -0.67 4.97 3.32 -1.14 -2.14 116.42 122.03 3mag h ASP 228 Ca 0.06 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.80 3mag h ASP 228 Cb 0.57 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3mag h ASP 228 CO 0.04 1.00 0.44 0.00 -1.72 0.00 0.00 179.24 179.00 3mag h ALA 229 N 0.91 1.57 -0.46 3.45 0.00 -0.08 0.14 119.26 124.79 3mag h ALA 229 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3mag h ALA 229 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3mag h ALA 229 CO 0.03 0.39 -0.16 0.28 0.00 0.00 0.00 179.25 179.79 3mag h VAL 230 N 0.86 1.27 -0.24 0.00 2.07 -0.62 -2.27 116.25 117.32 3mag h VAL 230 Ca 0.25 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3mag h VAL 230 Cb -0.03 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3mag h VAL 230 CO -0.06 0.44 0.00 -1.13 0.02 0.00 0.00 177.57 176.84 3mag h ASN 231 N 0.77 0.41 -0.49 0.57 -0.00 -0.57 -2.55 115.58 113.73 3mag h ASN 231 Ca 0.12 -0.30 0.05 0.00 -0.00 0.00 0.00 56.30 56.16 3mag h ASN 231 Cb 0.69 -0.11 -0.05 0.00 -0.00 0.00 0.00 38.32 38.85 3mag h ASN 231 CO 0.05 0.61 0.23 1.88 -0.00 0.00 0.00 177.43 180.20 3mag h TYR 232 N 0.20 0.42 -0.22 0.67 0.05 -0.94 -1.58 116.97 115.56 3mag h TYR 232 Ca 0.07 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.89 3mag h TYR 232 Cb 0.40 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3mag h TYR 232 CO 0.03 0.19 0.07 1.49 -1.05 0.00 0.00 178.16 178.90 3mag h GLU 233 N 0.45 0.17 -0.23 4.88 4.81 -1.37 -0.43 114.58 122.86 3mag h GLU 233 Ca 0.22 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.27 3mag h GLU 233 Cb 0.15 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3mag h GLU 233 CO -0.17 0.11 -0.49 0.87 -0.73 0.00 0.00 179.01 178.60 3mag h LYS 234 N 0.18 0.74 -0.14 1.92 1.57 -1.29 -1.06 116.57 118.49 3mag h LYS 234 Ca 0.10 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3mag h LYS 234 Cb 0.06 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3mag h LYS 234 CO -0.10 1.11 -0.03 0.87 -0.57 0.00 0.00 179.45 180.73 3mag h LYS 235 N 0.47 0.27 -0.25 3.15 1.79 -1.27 -0.71 116.57 120.03 3mag h LYS 235 Ca 0.00 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 58.28 3mag h LYS 235 Cb 1.10 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 3mag h LYS 235 CO 0.11 0.56 -0.23 0.52 -1.08 0.00 0.00 179.45 179.33 3mag h MET 236 N -0.04 0.46 -0.40 3.15 2.86 -1.14 -0.60 114.93 119.23 3mag h MET 236 Ca 0.04 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.39 3mag h MET 236 Cb 0.46 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3mag h MET 236 CO 0.01 0.67 -0.25 -0.92 1.06 0.00 0.00 176.91 177.48 3mag h TYR 237 N 0.41 0.93 -0.07 -0.22 3.20 -1.13 -0.33 116.97 119.75 3mag h TYR 237 Ca 0.06 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 3mag h TYR 237 Cb 0.63 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3mag h TYR 237 CO 0.02 0.97 0.03 -0.92 -1.64 0.00 0.00 178.16 176.62 3mag h TYR 238 N 0.70 0.11 -0.41 -3.82 3.20 -0.97 0.28 116.97 116.06 3mag h TYR 238 Ca 0.09 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.01 3mag h TYR 238 Cb 0.78 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 3mag h TYR 238 CO 0.04 0.25 0.11 1.25 -1.64 0.00 0.00 178.16 178.16 3mag h LEU 239 N -0.06 0.07 -0.09 2.82 5.85 -0.93 -0.51 115.31 122.46 3mag h LEU 239 Ca 0.02 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3mag h LEU 239 Cb 0.18 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3mag h LEU 239 CO -0.00 0.07 -0.06 0.78 -0.34 0.00 0.00 178.44 178.89 3mag h ASN 240 N 0.25 0.21 -0.08 1.25 2.35 -0.99 -0.42 115.58 118.15 3mag h ASN 240 Ca 0.19 -0.45 -0.13 0.00 -0.55 0.00 0.00 56.30 55.37 3mag h ASN 240 Cb 0.21 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.53 3mag h ASN 240 CO -0.23 0.61 -0.45 0.50 -1.65 0.00 0.00 177.43 176.21 3mag h LYS 241 N -0.19 0.44 0.00 0.81 1.63 -0.91 -3.39 116.57 114.96 3mag h LYS 241 Ca 0.02 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 3mag h LYS 241 Cb 0.54 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3mag h LYS 241 CO 0.02 1.01 -0.52 -0.89 -3.45 0.00 0.00 179.45 175.62 3mag n ILE 242 N -4.30 0.94 0.15 2.00 2.08 -0.21 -4.44 119.36 115.59 3mag n ILE 242 Ca -0.08 0.29 -0.10 0.00 0.56 0.00 0.00 62.75 63.41 3mag n ILE 242 Cb 0.58 -2.05 -0.06 0.00 -0.75 0.00 0.00 39.64 37.35 3mag n ILE 242 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3mag h VAL 243 N -0.64 0.00 0.00 1.39 2.07 -1.43 -2.80 116.25 114.83 3mag h VAL 243 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3mag h VAL 243 Cb 0.52 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3mag h VAL 243 CO 0.00 0.00 0.06 0.54 0.02 0.00 0.00 177.57 178.19 3mag n ARG 244 N -4.18 0.10 -0.09 1.57 1.74 -0.19 -0.42 116.66 115.19 3mag n ARG 244 Ca -0.07 0.58 0.11 0.00 -0.77 0.00 0.00 57.85 57.71 3mag n ARG 244 Cb 0.27 -1.88 0.33 0.00 -1.02 0.00 0.00 32.46 30.16 3mag n ARG 244 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mag n ASN 245 N -2.03 2.16 -4.84 0.55 3.02 -1.06 -4.44 115.26 108.63 3mag n ASN 245 Ca -0.01 -1.77 -0.32 0.00 -0.03 0.00 0.00 54.58 52.44 3mag n ASN 245 Cb 0.09 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 3mag n ASN 245 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mag s LYS 246 N -1.77 4.07 -0.45 3.52 -0.14 0.44 -4.78 119.74 120.64 3mag s LYS 246 Ca 0.34 0.87 -0.04 0.00 -1.36 0.00 0.00 55.97 55.78 3mag s LYS 246 Cb 0.19 -2.28 0.12 0.00 -1.68 0.00 0.00 37.83 34.18 3mag s LYS 246 CO 0.29 0.00 0.26 0.08 -0.76 0.00 0.00 175.35 175.22 3mag s VAL 247 N -2.19 3.50 -0.87 3.17 1.01 -0.78 -0.81 120.40 123.45 3mag s VAL 247 Ca 0.58 -2.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.18 3mag s VAL 247 Cb -0.10 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3mag s VAL 247 CO 0.19 -0.73 2.17 -0.69 0.00 0.00 0.00 175.10 176.03 3mag s VAL 248 N 1.03 3.23 0.37 2.92 1.01 0.16 -2.92 120.40 126.21 3mag s VAL 248 Ca 0.09 -0.21 0.26 0.00 0.00 0.00 0.00 61.98 62.12 3mag s VAL 248 Cb -0.23 -3.57 0.27 0.00 0.00 0.00 0.00 36.38 32.85 3mag s VAL 248 CO -0.04 -0.49 2.02 -0.37 0.00 0.00 0.00 175.10 176.22 3mag h VAL 249 N 7.41 0.62 -0.13 2.92 -1.51 -1.59 -0.86 116.25 123.10 3mag h VAL 249 Ca 0.05 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3mag h VAL 249 Cb 1.00 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3mag h VAL 249 CO 1.11 0.15 0.00 -0.46 -1.23 0.00 0.00 177.57 177.14 3mag n ASN 250 N -3.64 1.02 -4.36 4.19 2.04 -1.26 -4.64 115.26 108.61 3mag n ASN 250 Ca -0.02 -1.72 -0.45 0.00 -0.44 0.00 0.00 54.58 51.96 3mag n ASN 250 Cb 0.28 -0.09 -0.05 0.00 -2.53 0.00 0.00 39.78 37.39 3mag n ASN 250 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 3mag s PHE 251 N -1.83 3.05 -0.98 -2.53 5.36 -0.33 -4.99 117.98 115.73 3mag s PHE 251 Ca 0.25 -1.03 -0.23 0.00 -0.96 0.00 0.00 56.93 54.97 3mag s PHE 251 Cb 0.13 -3.97 0.06 0.00 -0.34 0.00 0.00 43.02 38.90 3mag s PHE 251 CO 0.20 -1.24 1.38 0.34 -1.46 0.00 0.00 175.22 174.43 3mag s ASP 252 N 3.62 6.48 0.03 6.13 2.15 -1.26 -4.74 116.67 129.08 3mag s ASP 252 Ca 0.10 -1.45 -0.17 0.00 0.43 0.00 0.00 52.55 51.46 3mag s ASP 252 Cb -0.25 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.86 3mag s ASP 252 CO 0.06 -1.47 0.39 -0.47 -0.17 0.00 0.00 175.17 173.51 3mag s TYR 253 N 4.68 -0.24 0.59 -5.34 5.04 -1.26 -5.04 117.35 115.78 3mag s TYR 253 Ca 0.43 0.23 0.29 0.00 -2.44 0.00 0.00 57.07 55.57 3mag s TYR 253 Cb -0.02 0.19 1.47 0.00 0.35 0.00 0.00 41.96 43.95 3mag s TYR 253 CO -0.07 -0.53 1.89 -1.35 -1.34 0.00 0.00 175.55 174.14 3mag h PRO 254 N 3.18 0.00 -3.96 4.97 0.11 -2.02 -3.36 132.00 130.91 3mag h PRO 254 Ca -0.31 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.34 3mag h PRO 254 Cb 1.20 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.94 3mag h PRO 254 CO 0.43 0.00 -0.78 1.21 -0.21 0.00 0.00 178.00 178.65 3mag s ASN 255 N -5.17 1.61 0.00 -2.05 2.47 -1.26 -5.03 114.94 105.51 3mag s ASN 255 Ca -0.04 -0.16 0.22 0.00 0.42 0.00 0.00 52.86 53.30 3mag s ASN 255 Cb 0.15 -0.57 0.58 0.00 -1.45 0.00 0.00 41.25 39.96 3mag s ASN 255 CO 0.54 -0.13 1.49 0.00 -3.72 0.00 0.00 177.10 175.28 3mag n GLN 256 N 4.77 2.67 -2.09 0.43 6.02 -1.26 -4.62 117.38 123.30 3mag n GLN 256 Ca -0.13 -2.54 -0.39 0.00 -0.01 0.00 0.00 57.00 53.92 3mag n GLN 256 Cb 0.50 -1.54 -0.00 0.00 1.02 0.00 0.00 30.24 30.22 3mag n GLN 256 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3mag s GLU 257 N -1.12 3.92 0.26 -1.09 2.02 -1.26 0.39 118.70 121.82 3mag s GLU 257 Ca 0.45 2.09 -0.06 0.00 0.02 0.00 0.00 54.97 57.47 3mag s GLU 257 Cb 0.24 -2.70 0.50 0.00 0.10 0.00 0.00 34.13 32.28 3mag s GLU 257 CO 0.32 -0.51 1.60 -0.92 0.02 0.00 0.00 175.26 175.78 3mag h TYR 258 N 2.57 -0.17 -0.22 1.61 3.20 -1.19 0.29 116.97 123.05 3mag h TYR 258 Ca -0.49 0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.51 3mag h TYR 258 Cb 1.25 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 3mag h TYR 258 CO 0.53 -0.33 0.17 -0.44 -1.64 0.00 0.00 178.16 176.45 3mag h ASP 259 N 0.05 0.00 0.71 -2.11 5.19 -1.87 0.19 116.42 118.58 3mag h ASP 259 Ca 0.46 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.61 3mag h ASP 259 Cb 0.83 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 3mag h ASP 259 CO -0.80 0.00 -1.25 1.88 -3.12 0.00 0.00 179.24 175.95 3mag h TYR 260 N 0.00 0.30 -0.54 4.55 -1.99 -1.27 0.21 116.97 118.24 3mag h TYR 260 Ca 0.11 -0.22 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 3mag h TYR 260 Cb 0.45 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 3mag h TYR 260 CO 0.00 1.20 -0.06 0.35 -0.00 0.00 0.00 178.16 179.64 3mag h PHE 261 N 0.05 1.07 -0.14 4.88 3.57 -0.79 -0.02 116.94 125.55 3mag h PHE 261 Ca -0.12 -0.20 -0.17 0.00 3.53 0.00 0.00 57.97 61.01 3mag h PHE 261 Cb 1.92 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 40.39 3mag h PHE 261 CO 0.04 0.98 -0.56 1.25 -2.23 0.00 0.00 178.31 177.80 3mag h HIS 262 N 0.88 0.84 -0.55 0.41 2.76 -0.66 -3.03 115.15 115.79 3mag h HIS 262 Ca 0.15 -0.35 0.06 0.00 -2.20 0.00 0.00 60.37 58.02 3mag h HIS 262 Cb 0.60 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.37 3mag h HIS 262 CO 0.04 1.15 0.25 1.98 -1.30 0.00 0.00 177.93 180.05 3mag h MET 263 N 0.29 0.47 -0.57 5.26 1.85 -0.70 -2.39 114.93 119.14 3mag h MET 263 Ca -0.03 -0.03 0.11 0.00 -0.61 0.00 0.00 59.70 59.14 3mag h MET 263 Cb 1.19 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 33.03 3mag h MET 263 CO 0.12 0.31 0.07 -0.92 -0.40 0.00 0.00 176.91 176.09 3mag h TYR 264 N 0.48 0.10 0.00 1.39 5.03 -0.92 0.12 116.97 123.18 3mag h TYR 264 Ca 0.25 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.57 3mag h TYR 264 Cb 0.21 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 3mag h TYR 264 CO -0.12 -0.07 -0.16 0.74 -1.32 0.00 0.00 178.16 177.23 3mag h PHE 265 N 0.20 0.00 0.15 -3.82 -1.00 -1.32 -0.80 116.94 110.35 3mag h PHE 265 Ca 0.29 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.86 3mag h PHE 265 Cb 0.44 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.03 3mag h PHE 265 CO -0.28 0.16 -0.96 0.52 -1.61 0.00 0.00 178.31 176.13 3mag h MET 266 N 0.00 0.33 0.00 1.51 2.86 -0.71 -3.34 114.93 115.58 3mag h MET 266 Ca -0.00 -0.56 -0.03 0.00 -2.06 0.00 0.00 59.70 57.05 3mag h MET 266 Cb 0.49 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 3mag h MET 266 CO 0.02 1.27 -0.13 -0.07 1.06 0.00 0.00 176.91 179.06 3mag h LEU 267 N -0.30 0.00 -0.90 1.22 3.38 -0.53 -2.38 115.31 115.81 3mag h LEU 267 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3mag h LEU 267 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3mag h LEU 267 CO 0.16 0.13 0.00 0.08 0.09 0.00 0.00 178.44 178.90 3mag h ARG 268 N 0.00 0.00 -0.01 1.13 0.11 -1.27 -2.78 114.38 111.56 3mag h ARG 268 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3mag h ARG 268 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 3mag h ARG 268 CO 0.02 0.00 -0.29 0.25 0.10 0.00 0.00 179.97 180.04 3mag n THR 269 N -2.53 0.00 -2.78 0.08 -2.24 -0.89 -4.92 114.28 100.99 3mag n THR 269 Ca 0.02 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.30 3mag n THR 269 Cb 0.27 0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 3mag n THR 269 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mag s VAL 270 N -2.57 4.14 0.06 2.28 1.01 -1.05 -4.84 120.40 119.42 3mag s VAL 270 Ca 0.22 1.98 -0.18 0.00 0.00 0.00 0.00 61.98 64.00 3mag s VAL 270 Cb 0.19 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 3mag s VAL 270 CO 0.55 0.41 0.54 -0.31 0.00 0.00 0.00 175.10 176.28 3mag s TYR 271 N -1.29 3.79 0.30 5.22 1.51 -1.26 -5.09 117.35 120.53 3mag s TYR 271 Ca 0.43 1.22 0.06 0.00 -1.01 0.00 0.00 57.07 57.77 3mag s TYR 271 Cb -0.24 -2.45 -0.06 0.00 -0.11 0.00 0.00 41.96 39.10 3mag s TYR 271 CO 0.29 0.60 -0.03 0.00 -1.11 0.00 0.00 175.55 175.30 3mag h ASN 273 N 2.20 0.11 -3.99 0.00 2.35 -1.98 -3.47 115.58 110.81 3mag h ASN 273 Ca -0.40 -0.70 -0.53 0.00 -0.55 0.00 0.00 56.30 54.12 3mag h ASN 273 Cb 1.24 -0.04 0.10 0.00 0.05 0.00 0.00 38.32 39.67 3mag h ASN 273 CO 0.69 1.46 0.60 -0.75 -1.65 0.00 0.00 177.43 177.77 3mag s LYS 274 N -2.38 3.69 -0.14 0.81 2.20 -1.26 -5.01 119.74 117.65 3mag s LYS 274 Ca -0.25 2.13 -0.07 0.00 -0.36 0.00 0.00 55.97 57.43 3mag s LYS 274 Cb 0.04 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 3mag s LYS 274 CO 0.66 -0.72 0.11 0.99 -0.36 0.00 0.00 175.35 176.03 3mag s THR 275 N -1.32 5.25 0.10 3.43 2.01 -1.26 -5.10 115.64 118.74 3mag s THR 275 Ca 0.62 0.12 0.10 0.00 0.31 0.00 0.00 61.69 62.84 3mag s THR 275 Cb -0.37 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3mag s THR 275 CO 0.47 0.56 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.36 3mag s PHE 276 N -0.56 2.39 0.14 4.92 0.40 -1.26 -5.05 117.98 118.97 3mag s PHE 276 Ca 0.12 -0.35 0.19 0.00 -0.60 0.00 0.00 56.93 56.30 3mag s PHE 276 Cb -0.12 -1.33 0.69 0.00 0.51 0.00 0.00 43.02 42.77 3mag s PHE 276 CO 0.02 0.29 1.73 -1.00 0.70 0.00 0.00 175.22 176.97 3mag h PRO 277 N 4.12 0.00 -3.78 0.24 0.13 -1.99 -3.46 132.00 127.27 3mag h PRO 277 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 3mag h PRO 277 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 3mag h PRO 277 CO 0.43 0.35 -0.42 0.95 -0.23 0.00 0.00 178.00 179.08 3mag s THR 278 N -3.58 0.14 0.25 1.56 -4.23 -1.26 -5.03 115.64 103.48 3mag s THR 278 Ca 0.00 -1.15 -0.06 0.00 -1.18 0.00 0.00 61.69 59.31 3mag s THR 278 Cb 0.11 -1.18 0.26 0.00 1.34 0.00 0.00 72.50 73.02 3mag s THR 278 CO 0.68 -0.63 1.92 0.74 -0.54 0.00 0.00 174.62 176.79 3mag h THR 279 N 3.10 1.23 -0.91 3.99 2.02 -2.00 -1.38 112.91 118.95 3mag h THR 279 Ca -0.33 -0.45 0.10 0.00 0.77 0.00 0.00 66.41 66.49 3mag h THR 279 Cb 1.19 -0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.32 3mag h THR 279 CO 0.54 0.24 0.59 0.50 0.37 0.00 0.00 175.52 177.76 3mag h LYS 280 N 1.32 0.89 -0.31 6.66 3.64 -1.99 -0.46 116.57 126.33 3mag h LYS 280 Ca 0.38 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.62 3mag h LYS 280 Cb -0.10 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 3mag h LYS 280 CO -0.10 0.59 -0.15 0.00 -2.27 0.00 0.00 179.45 177.53 3mag h ALA 281 N 1.55 0.44 -0.02 5.00 0.00 -1.67 -1.51 119.26 123.03 3mag h ALA 281 Ca 0.42 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mag h ALA 281 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mag h ALA 281 CO -0.18 0.33 0.01 -0.22 0.00 0.00 0.00 179.25 179.19 3mag h LYS 282 N 0.41 0.03 -0.20 0.00 3.64 -0.90 -1.44 116.57 118.11 3mag h LYS 282 Ca 0.07 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3mag h LYS 282 Cb 0.67 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3mag h LYS 282 CO 0.05 0.11 0.04 0.28 -2.27 0.00 0.00 179.45 177.66 3mag h VAL 283 N -0.06 0.91 -0.89 2.00 2.07 -1.12 0.96 116.25 120.12 3mag h VAL 283 Ca 0.01 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3mag h VAL 283 Cb 0.09 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3mag h VAL 283 CO -0.00 0.02 0.58 -0.07 0.02 0.00 0.00 177.57 178.12 3mag h LEU 284 N 0.12 0.93 0.31 2.57 3.38 -1.22 0.10 115.31 121.50 3mag h LEU 284 Ca 0.09 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3mag h LEU 284 Cb 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3mag h LEU 284 CO -0.12 0.62 -0.15 0.15 0.09 0.00 0.00 178.44 179.03 3mag h PHE 285 N 1.06 -0.39 -0.64 1.13 3.57 -0.11 -0.93 116.94 120.64 3mag h PHE 285 Ca 0.37 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.88 3mag h PHE 285 Cb 0.10 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 3mag h PHE 285 CO -0.00 -0.13 0.40 -0.07 -2.23 0.00 0.00 178.31 176.28 3mag h LEU 286 N -0.60 0.66 -0.05 0.59 3.38 -0.54 -0.72 115.31 118.03 3mag h LEU 286 Ca -0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3mag h LEU 286 Cb 0.43 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3mag h LEU 286 CO 0.07 0.46 0.02 -0.61 0.09 0.00 0.00 178.44 178.48 3mag h GLN 287 N 0.79 0.08 -0.45 1.13 4.15 -0.73 0.33 115.11 120.40 3mag h GLN 287 Ca 0.25 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.71 3mag h GLN 287 Cb 0.00 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 3mag h GLN 287 CO -0.10 0.18 0.18 0.37 -1.93 0.00 0.00 178.83 177.53 3mag h GLN 288 N -0.04 0.35 -0.29 1.69 -0.00 -0.95 0.73 115.11 116.59 3mag h GLN 288 Ca 0.02 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 3mag h GLN 288 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.51 3mag h GLN 288 CO -0.00 0.23 0.14 1.03 0.00 0.00 0.00 178.83 180.22 3mag h SER 289 N 0.36 0.19 -0.19 -0.69 0.87 -0.96 -0.37 113.55 112.77 3mag h SER 289 Ca 0.21 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3mag h SER 289 Cb 0.18 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3mag h SER 289 CO -0.19 0.15 0.08 0.40 -0.53 0.00 0.00 176.83 176.73 3mag h ILE 290 N 0.29 1.16 -0.67 2.23 2.04 -0.41 -1.97 117.51 120.18 3mag h ILE 290 Ca 0.12 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3mag h ILE 290 Cb 0.05 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3mag h ILE 290 CO -0.09 0.16 0.25 -0.26 0.00 0.00 0.00 178.15 178.21 3mag h PHE 291 N 0.15 1.03 -0.28 1.37 -1.00 -0.74 -1.76 116.94 115.71 3mag h PHE 291 Ca 0.06 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3mag h PHE 291 Cb 0.17 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 3mag h PHE 291 CO -0.01 0.81 0.14 -0.09 -1.61 0.00 0.00 178.31 177.55 3mag h ARG 292 N 0.95 0.40 -0.30 1.51 2.43 -0.98 0.31 114.38 118.70 3mag h ARG 292 Ca 0.22 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3mag h ARG 292 Cb 0.23 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3mag h ARG 292 CO -0.02 0.37 0.04 0.35 -1.51 0.00 0.00 179.97 179.20 3mag h PHE 293 N 0.33 0.06 0.00 2.20 3.04 -1.10 -1.12 116.94 120.35 3mag h PHE 293 Ca 0.10 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3mag h PHE 293 Cb 0.10 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.62 3mag h PHE 293 CO -0.02 -0.00 0.00 1.28 -2.02 0.00 0.00 178.31 177.54 3mag n LEU 294 N -5.11 0.00 -1.80 0.59 4.77 -0.68 -4.90 117.00 109.86 3mag n LEU 294 Ca -0.00 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3mag n LEU 294 Cb 0.14 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3mag n LEU 294 CO 0.25 -0.01 0.01 -3.20 -1.33 0.00 0.00 177.39 173.12 3mag n ASN 295 N -1.11 -4.10 -4.53 -1.43 4.05 -0.27 -4.90 115.26 102.97 3mag n ASN 295 Ca 0.19 -0.17 -0.40 0.00 0.45 0.00 0.00 54.58 54.66 3mag n ASN 295 Cb 0.15 -2.96 -0.11 0.00 1.23 0.00 0.00 39.78 38.09 3mag n ASN 295 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3mag s ILE 296 N -2.91 5.21 -1.03 -1.44 1.01 -0.06 -5.00 121.20 116.98 3mag s ILE 296 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3mag s ILE 296 Cb -0.08 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3mag s ILE 296 CO 0.22 0.05 0.26 -2.65 0.00 0.00 0.00 174.94 172.82