#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mg3 s THR 4 N 0.00 3.13 0.21 1.97 -4.23 -1.26 -4.99 115.64 110.47 3mg3 s THR 4 Ca 0.00 -1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 59.29 3mg3 s THR 4 Cb 0.00 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.91 3mg3 s THR 4 CO 0.00 -0.04 1.78 0.40 -0.54 0.00 0.00 174.62 176.21 3mg3 h ILE 5 N 0.85 0.86 -0.05 2.99 1.08 -1.95 -2.65 117.51 118.64 3mg3 h ILE 5 Ca -0.42 -0.19 -0.08 0.00 -0.39 0.00 0.00 64.86 63.78 3mg3 h ILE 5 Cb 1.27 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3mg3 h ILE 5 CO 0.51 0.10 -0.36 0.44 -0.69 0.00 0.00 178.15 178.15 3mg3 h ASP 6 N 0.56 0.09 0.32 1.72 3.32 -2.02 -2.57 116.42 117.84 3mg3 h ASP 6 Ca 0.32 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 3mg3 h ASP 6 Cb 0.31 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3mg3 h ASP 6 CO -0.25 0.45 -0.67 0.77 -1.72 0.00 0.00 179.24 177.82 3mg3 h SER 7 N 0.08 0.37 0.04 6.45 4.64 -1.89 -2.71 113.55 120.54 3mg3 h SER 7 Ca 0.01 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3mg3 h SER 7 Cb 0.68 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3mg3 h SER 7 CO 0.05 0.93 0.00 0.00 -0.87 0.00 0.00 176.83 176.94 3mg3 h ALA 8 N 1.07 1.00 0.00 5.18 0.00 -1.11 -1.61 119.26 123.78 3mg3 h ALA 8 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mg3 h ALA 8 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mg3 h ALA 8 CO 0.11 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.90 3mg3 n ARG 9 N -2.76 0.14 0.00 0.00 1.74 -1.02 -2.26 116.66 112.50 3mg3 n ARG 9 Ca -0.02 0.60 0.13 0.00 -0.77 0.00 0.00 57.85 57.79 3mg3 n ARG 9 Cb 0.07 -1.93 0.34 0.00 -1.02 0.00 0.00 32.46 29.92 3mg3 n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mg3 n GLY 10 N -1.12 0.10 3.76 -0.13 0.00 -0.61 -4.94 105.19 102.25 3mg3 n GLY 10 Ca -0.01 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3mg3 n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mg3 s ILE 11 N -2.16 2.79 -1.34 -0.61 -4.36 -0.96 -2.74 121.20 111.82 3mg3 s ILE 11 Ca 0.30 0.47 -0.19 0.00 -0.26 0.00 0.00 60.65 60.98 3mg3 s ILE 11 Cb 0.20 -3.15 0.02 0.00 1.25 0.00 0.00 42.46 40.78 3mg3 s ILE 11 CO 0.39 -0.13 0.44 0.49 0.24 0.00 0.00 174.94 176.38 3mg3 n PHE 12 N -1.69 -1.42 0.14 1.37 3.72 -1.26 -4.77 117.46 113.56 3mg3 n PHE 12 Ca 0.13 0.35 0.04 0.00 -0.05 0.00 0.00 57.45 57.91 3mg3 n PHE 12 Cb 0.50 -2.94 0.17 0.00 -0.94 0.00 0.00 39.48 36.27 3mg3 n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3mg3 n PRO 13 N -4.77 0.03 -0.41 -1.08 -0.04 -1.11 -1.51 135.00 126.11 3mg3 n PRO 13 Ca -0.20 0.47 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 3mg3 n PRO 13 Cb 0.62 -1.59 0.31 0.00 -0.04 0.00 0.00 33.50 32.81 3mg3 n PRO 13 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3mg3 n ASN 14 N -1.65 4.03 -4.74 3.54 3.02 -1.26 -4.91 115.26 113.30 3mg3 n ASN 14 Ca 0.01 -2.13 -0.42 0.00 -0.03 0.00 0.00 54.58 52.01 3mg3 n ASN 14 Cb 0.05 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 3mg3 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mg3 s THR 15 N -1.25 2.38 -0.96 3.41 2.01 -0.57 -4.92 115.64 115.73 3mg3 s THR 15 Ca 0.46 0.30 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 3mg3 s THR 15 Cb 0.26 -3.19 0.20 0.00 0.01 0.00 0.00 72.50 69.78 3mg3 s THR 15 CO 0.28 0.04 1.03 -0.76 -0.69 0.00 0.00 174.62 174.52 3mg3 s LEU 16 N 0.21 5.96 0.46 4.42 1.43 -1.26 -5.01 118.68 124.88 3mg3 s LEU 16 Ca 0.66 -2.72 -0.21 0.00 -1.03 0.00 0.00 54.13 50.83 3mg3 s LEU 16 Cb -0.45 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 3mg3 s LEU 16 CO 0.40 -0.68 1.01 0.00 0.23 0.00 0.00 176.35 177.31 3mg3 s ALA 17 N 0.82 2.95 -1.31 4.21 0.00 -1.26 -0.55 121.76 126.62 3mg3 s ALA 17 Ca 0.28 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 3mg3 s ALA 17 Cb -0.07 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3mg3 s ALA 17 CO -0.08 -0.16 2.34 0.00 0.00 0.00 0.00 175.76 177.87 3mg3 n ALA 18 N -0.73 5.54 1.31 0.00 0.00 0.19 -4.38 120.51 122.44 3mg3 n ALA 18 Ca 0.08 -3.46 0.11 0.00 0.00 0.00 0.00 53.44 50.17 3mg3 n ALA 18 Cb 0.53 -3.45 0.63 0.00 0.00 0.00 0.00 19.45 17.15 3mg3 n ALA 18 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mg3 n ASP 19 N 5.51 0.00 0.28 0.00 5.68 -1.26 -1.09 116.55 125.67 3mg3 n ASP 19 Ca 0.57 -0.59 0.12 0.00 -0.50 0.00 0.00 54.79 54.40 3mg3 n ASP 19 Cb 0.32 -0.04 0.79 0.00 -1.14 0.00 0.00 41.12 41.05 3mg3 n ASP 19 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3mg3 h VAL 20 N 0.00 0.73 0.42 2.12 3.04 -1.99 -2.19 116.25 118.38 3mg3 h VAL 20 Ca 0.00 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.64 3mg3 h VAL 20 Cb 0.03 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 3mg3 h VAL 20 CO 0.00 0.01 -0.20 0.58 -1.01 0.00 0.00 177.57 176.95 3mg3 h VAL 21 N 0.00 0.54 0.00 1.51 2.07 -1.49 -0.35 116.25 118.52 3mg3 h VAL 21 Ca -0.00 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3mg3 h VAL 21 Cb 0.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3mg3 h VAL 21 CO 0.00 0.07 -0.25 1.55 0.02 0.00 0.00 177.57 178.96 3mg3 h PRO 22 N -0.82 0.00 -0.33 1.57 0.13 -1.75 -0.88 132.00 129.92 3mg3 h PRO 22 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3mg3 h PRO 22 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3mg3 h PRO 22 CO 0.09 0.25 0.18 0.00 -0.23 0.00 0.00 178.00 178.29 3mg3 h ALA 23 N 1.75 0.43 -0.26 -0.56 0.00 -1.31 -0.17 119.26 119.14 3mg3 h ALA 23 Ca -0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3mg3 h ALA 23 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mg3 h ALA 23 CO 0.03 -0.03 -0.47 1.15 0.00 0.00 0.00 179.25 179.93 3mg3 h THR 24 N 0.41 1.30 -0.32 0.00 2.02 -0.49 -1.85 112.91 113.98 3mg3 h THR 24 Ca 0.12 -1.67 -0.10 0.00 0.77 0.00 0.00 66.41 65.52 3mg3 h THR 24 Cb 0.08 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3mg3 h THR 24 CO -0.02 0.53 -0.22 0.40 0.37 0.00 0.00 175.52 176.58 3mg3 h ILE 25 N 0.55 1.27 -0.74 3.11 1.08 -0.97 0.22 117.51 122.02 3mg3 h ILE 25 Ca 0.03 -1.27 -0.04 0.00 -0.39 0.00 0.00 64.86 63.19 3mg3 h ILE 25 Cb 1.03 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 3mg3 h ILE 25 CO 0.10 0.41 0.30 0.00 -0.69 0.00 0.00 178.15 178.27 3mg3 h ALA 26 N 1.22 0.96 -0.33 1.87 0.00 -0.58 0.03 119.26 122.43 3mg3 h ALA 26 Ca 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3mg3 h ALA 26 Cb 0.67 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3mg3 h ALA 26 CO 0.05 0.58 0.04 0.00 0.00 0.00 0.00 179.25 179.91 3mg3 h ARG 27 N 1.06 0.56 -0.87 0.00 3.08 -0.97 -2.91 114.38 114.32 3mg3 h ARG 27 Ca 0.25 -0.16 0.09 0.00 0.07 0.00 0.00 59.98 60.22 3mg3 h ARG 27 Cb 0.21 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 3mg3 h ARG 27 CO -0.02 0.66 0.53 0.35 -1.07 0.00 0.00 179.97 180.42 3mg3 h PHE 28 N 0.38 0.96 0.00 3.04 3.57 -0.60 -1.97 116.94 122.33 3mg3 h PHE 28 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3mg3 h PHE 28 Cb 0.38 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3mg3 h PHE 28 CO 0.03 0.43 0.00 0.77 -2.23 0.00 0.00 178.31 177.31 3mg3 h SER 29 N 0.90 0.00 1.83 0.41 0.02 -0.80 -1.32 113.55 114.59 3mg3 h SER 29 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3mg3 h SER 29 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3mg3 h SER 29 CO -0.22 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.03 3mg3 h GLN 30 N 0.00 0.00 -7.31 3.45 1.08 -1.26 -3.47 115.11 107.61 3mg3 h GLN 30 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3mg3 h GLN 30 Cb 0.38 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 27.92 3mg3 h GLN 30 CO 0.00 0.00 0.34 -0.51 -0.95 0.00 0.00 178.83 177.71 3mg3 s LEU 31 N -6.16 3.11 0.51 1.46 1.43 -0.50 -4.99 118.68 113.55 3mg3 s LEU 31 Ca 0.06 1.78 -0.22 0.00 -1.03 0.00 0.00 54.13 54.72 3mg3 s LEU 31 Cb 0.06 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.70 3mg3 s LEU 31 CO 0.65 -1.79 1.31 0.21 0.23 0.00 0.00 176.35 176.96 3mg3 s ASN 32 N -3.41 5.56 0.22 2.29 2.47 -1.26 -4.78 114.94 116.03 3mg3 s ASN 32 Ca 0.61 2.66 -0.09 0.00 0.42 0.00 0.00 52.86 56.46 3mg3 s ASN 32 Cb -0.16 -2.63 0.21 0.00 -1.45 0.00 0.00 41.25 37.21 3mg3 s ASN 32 CO 0.54 -1.36 1.87 0.00 -3.72 0.00 0.00 177.10 174.42 3mg3 h ALA 33 N 1.70 1.00 -0.33 1.71 0.00 -1.93 -0.40 119.26 121.01 3mg3 h ALA 33 Ca -0.50 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3mg3 h ALA 33 Cb 1.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3mg3 h ALA 33 CO 0.58 0.31 -0.06 1.49 0.00 0.00 0.00 179.25 181.58 3mg3 h GLU 34 N 0.97 0.54 -0.32 0.00 4.57 -1.94 -1.04 114.58 117.35 3mg3 h GLU 34 Ca 0.30 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.21 3mg3 h GLU 34 Cb -0.01 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3mg3 h GLU 34 CO -0.10 0.61 -0.35 -0.44 -1.18 0.00 0.00 179.01 177.55 3mg3 h ASP 35 N 0.51 0.77 -0.15 1.04 3.32 -1.64 -0.72 116.42 119.55 3mg3 h ASP 35 Ca 0.10 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.86 3mg3 h ASP 35 Cb 0.41 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3mg3 h ASP 35 CO 0.02 1.04 -0.04 1.56 -1.72 0.00 0.00 179.24 180.10 3mg3 h GLN 36 N 0.61 -0.01 -0.60 3.56 4.20 -0.55 0.48 115.11 122.80 3mg3 h GLN 36 Ca 0.06 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3mg3 h GLN 36 Cb 0.88 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3mg3 h GLN 36 CO 0.08 -0.00 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.15 3mg3 h LEU 37 N -0.01 1.06 -0.55 1.46 3.38 -1.11 -1.93 115.31 117.61 3mg3 h LEU 37 Ca 0.07 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 3mg3 h LEU 37 Cb 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3mg3 h LEU 37 CO -0.15 1.11 -0.18 0.00 0.09 0.00 0.00 178.44 179.31 3mg3 h ALA 38 N 0.99 0.75 -0.47 1.53 0.00 -0.97 -0.96 119.26 120.12 3mg3 h ALA 38 Ca 0.17 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3mg3 h ALA 38 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3mg3 h ALA 38 CO 0.03 0.67 0.31 1.25 0.00 0.00 0.00 179.25 181.51 3mg3 h LEU 39 N 0.85 0.54 -0.55 0.00 6.46 -0.72 0.16 115.31 122.06 3mg3 h LEU 39 Ca 0.12 -0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.72 3mg3 h LEU 39 Cb 0.74 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3mg3 h LEU 39 CO 0.06 0.39 -0.42 0.40 -0.62 0.00 0.00 178.44 178.25 3mg3 h ILE 40 N 0.64 1.29 -0.38 4.05 2.04 -1.22 0.11 117.51 124.04 3mg3 h ILE 40 Ca 0.17 -1.60 0.05 0.00 1.00 0.00 0.00 64.86 64.48 3mg3 h ILE 40 Cb -0.07 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3mg3 h ILE 40 CO -0.04 0.51 0.12 -0.25 0.00 0.00 0.00 178.15 178.50 3mg3 h TRP 41 N 0.57 0.21 -0.54 1.37 2.91 -0.71 0.23 115.95 119.98 3mg3 h TRP 41 Ca 0.04 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 3mg3 h TRP 41 Cb 0.96 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.55 3mg3 h TRP 41 CO 0.05 0.08 0.30 0.74 -1.03 0.00 0.00 178.44 178.58 3mg3 h PHE 42 N 0.27 0.74 -0.62 2.65 0.04 -0.26 -0.78 116.94 118.98 3mg3 h PHE 42 Ca 0.18 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 3mg3 h PHE 42 Cb 0.17 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3mg3 h PHE 42 CO -0.16 0.54 0.03 0.00 -0.60 0.00 0.00 178.31 178.13 3mg3 h ALA 43 N 1.14 0.84 -0.27 2.45 0.00 -0.34 -1.74 119.26 121.32 3mg3 h ALA 43 Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3mg3 h ALA 43 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3mg3 h ALA 43 CO -0.03 0.65 -0.05 -0.92 0.00 0.00 0.00 179.25 178.90 3mg3 h TYR 44 N 0.98 0.57 -0.52 0.00 3.20 -0.34 0.37 116.97 121.24 3mg3 h TYR 44 Ca 0.18 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3mg3 h TYR 44 Cb 0.52 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 3mg3 h TYR 44 CO 0.04 0.71 0.34 -0.07 -1.64 0.00 0.00 178.16 177.53 3mg3 h LEU 45 N 0.28 0.60 -0.23 2.82 3.38 -1.04 -0.71 115.31 120.42 3mg3 h LEU 45 Ca 0.07 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 3mg3 h LEU 45 Cb 0.51 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3mg3 h LEU 45 CO 0.02 0.45 -0.85 -0.33 0.09 0.00 0.00 178.44 177.83 3mg3 h GLU 46 N 0.70 0.53 -0.26 1.13 4.39 -1.15 -3.05 114.58 116.86 3mg3 h GLU 46 Ca 0.19 -0.49 -0.10 0.00 0.34 0.00 0.00 59.36 59.30 3mg3 h GLU 46 Cb -0.06 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3mg3 h GLU 46 CO -0.04 1.12 -0.25 0.52 -1.16 0.00 0.00 179.01 179.20 3mg3 h MET 47 N 0.33 0.51 0.00 2.33 2.86 -0.83 -2.46 114.93 117.67 3mg3 h MET 47 Ca -0.06 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3mg3 h MET 47 Cb 1.46 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3mg3 h MET 47 CO 0.15 0.72 0.00 0.41 1.06 0.00 0.00 176.91 179.25 3mg3 n GLY 48 N -0.36 -0.87 0.20 8.32 0.00 -0.28 -1.29 105.19 110.92 3mg3 n GLY 48 Ca -0.00 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3mg3 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg3 h LYS 49 N 0.00 0.00 0.00 1.61 6.56 -1.46 -3.35 116.57 119.93 3mg3 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3mg3 h LYS 49 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 3mg3 h LYS 49 CO 0.00 0.32 0.00 0.25 -2.06 0.00 0.00 179.45 177.96 3mg3 n THR 50 N -3.78 0.00 -3.95 -0.16 -2.24 -0.79 -5.04 114.28 98.32 3mg3 n THR 50 Ca -0.01 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 3mg3 n THR 50 Cb 0.41 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.51 3mg3 n THR 50 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3mg3 s LEU 51 N -0.93 1.05 -0.15 3.22 2.96 -0.41 -5.13 118.68 119.29 3mg3 s LEU 51 Ca 0.00 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 3mg3 s LEU 51 Cb 0.00 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 3mg3 s LEU 51 CO 0.00 -0.12 0.10 0.28 -1.32 0.00 0.00 176.35 175.28 3mg3 s THR 52 N 1.62 5.13 0.13 3.68 -1.32 -1.26 -4.05 115.64 119.57 3mg3 s THR 52 Ca 0.02 0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 3mg3 s THR 52 Cb -0.13 -3.27 -0.06 0.00 -1.51 0.00 0.00 72.50 67.52 3mg3 s THR 52 CO -0.05 0.53 1.02 -0.63 -2.21 0.00 0.00 174.62 173.27 3mg3 s ILE 53 N -0.28 4.26 0.59 5.08 1.01 -1.26 -4.77 121.20 125.83 3mg3 s ILE 53 Ca 0.10 1.90 -0.20 0.00 0.00 0.00 0.00 60.65 62.44 3mg3 s ILE 53 Cb -0.12 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3mg3 s ILE 53 CO 0.01 0.30 1.32 0.00 0.00 0.00 0.00 174.94 176.57 3mg3 s ALA 54 N -0.07 2.60 0.41 9.38 0.00 0.26 -4.96 121.76 129.38 3mg3 s ALA 54 Ca 0.48 1.25 -0.26 0.00 0.00 0.00 0.00 51.96 53.43 3mg3 s ALA 54 Cb -0.26 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.23 3mg3 s ALA 54 CO 0.32 -1.45 1.29 0.00 0.00 0.00 0.00 175.76 175.92 3mg3 s ALA 55 N -1.37 3.23 0.53 0.00 0.00 -1.26 -4.97 121.76 117.93 3mg3 s ALA 55 Ca 0.77 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 53.71 3mg3 s ALA 55 Cb -0.38 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.21 3mg3 s ALA 55 CO 0.43 -0.81 1.37 -2.14 0.00 0.00 0.00 175.76 174.61 3mg3 s PRO 56 N -2.27 3.20 0.71 0.00 0.02 -1.26 -4.98 135.00 130.43 3mg3 s PRO 56 Ca 0.57 2.26 -0.15 0.00 0.02 0.00 0.00 61.00 63.70 3mg3 s PRO 56 Cb -0.37 -2.30 0.03 0.00 0.02 0.00 0.00 34.50 31.87 3mg3 s PRO 56 CO 0.48 -1.15 1.20 0.20 -0.33 0.00 0.00 177.00 177.40 3mg3 s GLY 57 N -0.90 2.37 0.23 0.52 0.00 -1.26 -4.85 107.32 103.43 3mg3 s GLY 57 Ca 0.70 0.87 -0.08 0.00 0.00 0.00 0.00 44.72 46.21 3mg3 s GLY 57 CO 0.49 1.27 1.89 0.00 0.00 0.00 0.00 173.10 176.75 3mg3 h ALA 58 N -0.16 1.08 -0.58 3.20 0.00 -2.00 -1.96 119.26 118.84 3mg3 h ALA 58 Ca -0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3mg3 h ALA 58 Cb 1.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3mg3 h ALA 58 CO 0.51 0.42 0.15 0.00 0.00 0.00 0.00 179.25 180.33 3mg3 h ALA 59 N 1.33 0.77 -0.37 0.00 0.00 -1.99 -1.16 119.26 117.83 3mg3 h ALA 59 Ca 0.32 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3mg3 h ALA 59 Cb -0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3mg3 h ALA 59 CO -0.09 0.46 0.10 1.03 0.00 0.00 0.00 179.25 180.76 3mg3 h SER 60 N 0.84 0.08 0.11 0.00 0.87 -1.85 -0.61 113.55 112.99 3mg3 h SER 60 Ca 0.18 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 3mg3 h SER 60 Cb 0.33 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3mg3 h SER 60 CO -0.00 0.08 -0.31 0.24 -0.53 0.00 0.00 176.83 176.31 3mg3 h MET 61 N 0.24 0.30 -0.39 2.24 2.86 -0.91 -1.99 114.93 117.29 3mg3 h MET 61 Ca 0.17 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 3mg3 h MET 61 Cb 0.17 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3mg3 h MET 61 CO -0.20 0.59 -0.22 1.96 1.06 0.00 0.00 176.91 180.09 3mg3 h GLN 62 N 0.27 0.77 -0.02 1.72 1.08 -0.61 -1.03 115.11 117.28 3mg3 h GLN 62 Ca 0.04 -0.31 -0.10 0.00 -1.45 0.00 0.00 58.65 56.83 3mg3 h GLN 62 Cb 0.68 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 3mg3 h GLN 62 CO 0.05 0.92 -0.46 -0.07 -0.95 0.00 0.00 178.83 178.32 3mg3 h LEU 63 N 0.67 0.06 -0.50 1.46 3.38 -0.44 -2.81 115.31 117.13 3mg3 h LEU 63 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mg3 h LEU 63 Cb 0.73 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3mg3 h LEU 63 CO 0.06 0.51 -0.38 0.00 0.09 0.00 0.00 178.44 178.71 3mg3 n ALA 64 N -2.46 3.35 -0.18 1.53 0.00 -0.82 -4.55 120.51 117.38 3mg3 n ALA 64 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 3mg3 n ALA 64 Cb 0.49 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.97 3mg3 n ALA 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mg3 h GLU 65 N 1.22 0.50 -0.69 0.00 4.81 -0.91 -0.98 114.58 118.53 3mg3 h GLU 65 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3mg3 h GLU 65 Cb 0.56 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3mg3 h GLU 65 CO 0.00 0.33 0.27 -0.91 -0.73 0.00 0.00 179.01 177.97 3mg3 h ASN 66 N 0.51 0.97 -0.54 1.04 2.35 -1.80 -0.12 115.58 118.00 3mg3 h ASN 66 Ca 0.25 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3mg3 h ASN 66 Cb 0.18 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3mg3 h ASN 66 CO -0.18 0.88 -0.02 0.00 -1.65 0.00 0.00 177.43 176.46 3mg3 h ALA 67 N 1.12 0.73 -0.55 -0.83 0.00 -1.74 -2.01 119.26 115.98 3mg3 h ALA 67 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3mg3 h ALA 67 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mg3 h ALA 67 CO -0.02 0.56 0.22 -0.07 0.00 0.00 0.00 179.25 179.95 3mg3 h LEU 68 N 0.84 0.75 -0.84 0.00 3.38 -0.80 -2.32 115.31 116.33 3mg3 h LEU 68 Ca 0.15 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3mg3 h LEU 68 Cb 0.56 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3mg3 h LEU 68 CO 0.03 0.72 0.55 0.11 0.09 0.00 0.00 178.44 179.94 3mg3 h LYS 69 N 0.74 1.08 -0.19 1.13 1.57 -0.85 -0.27 116.57 119.79 3mg3 h LYS 69 Ca 0.18 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3mg3 h LYS 69 Cb 0.20 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3mg3 h LYS 69 CO -0.01 0.71 0.09 1.49 -0.57 0.00 0.00 179.45 181.16 3mg3 h GLU 70 N 1.11 0.19 -0.49 3.15 4.81 -1.10 -0.70 114.58 121.55 3mg3 h GLU 70 Ca 0.31 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3mg3 h GLU 70 Cb -0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3mg3 h GLU 70 CO -0.08 0.12 0.17 0.82 -0.73 0.00 0.00 179.01 179.32 3mg3 h ILE 71 N 0.19 1.22 0.00 2.32 2.04 -1.15 -2.82 117.51 119.31 3mg3 h ILE 71 Ca 0.08 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3mg3 h ILE 71 Cb 0.02 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3mg3 h ILE 71 CO -0.06 0.26 -0.08 1.56 0.00 0.00 0.00 178.15 179.84 3mg3 h GLN 72 N 0.66 0.00 0.00 2.37 4.20 -0.45 -2.01 115.11 119.87 3mg3 h GLN 72 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3mg3 h GLN 72 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3mg3 h GLN 72 CO -0.01 0.08 -0.08 0.00 -0.67 0.00 0.00 178.83 178.15 3mg3 h ALA 73 N 1.92 0.95 -2.49 3.87 0.00 -0.89 -3.46 119.26 119.16 3mg3 h ALA 73 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3mg3 h ALA 73 Cb 0.22 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.10 3mg3 h ALA 73 CO 0.01 0.00 0.39 -1.64 0.00 0.00 0.00 179.25 178.01 3mg3 s MET 74 N -3.17 2.95 0.92 0.00 -1.94 -0.76 -5.04 119.30 112.26 3mg3 s MET 74 Ca 0.08 1.45 -0.11 0.00 -1.71 0.00 0.00 55.69 55.39 3mg3 s MET 74 Cb 0.08 -1.97 0.14 0.00 2.01 0.00 0.00 34.83 35.10 3mg3 s MET 74 CO 0.65 -1.14 1.09 0.20 -0.01 0.00 0.00 175.02 175.81 3mg3 s GLY 75 N -2.38 1.62 0.31 -0.03 0.00 -1.26 -4.71 107.32 100.87 3mg3 s GLY 75 Ca 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 44.72 45.39 3mg3 s GLY 75 CO 0.38 0.49 1.96 -2.55 0.00 0.00 0.00 173.10 173.37 3mg3 h PRO 76 N -1.66 0.95 -0.35 2.90 0.11 -1.96 -0.26 132.00 131.73 3mg3 h PRO 76 Ca -0.50 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 65.39 3mg3 h PRO 76 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3mg3 h PRO 76 CO 0.53 0.67 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.59 3mg3 h LEU 77 N 0.97 0.82 -0.53 2.35 3.38 -2.00 -2.18 115.31 118.12 3mg3 h LEU 77 Ca 0.25 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 3mg3 h LEU 77 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3mg3 h LEU 77 CO -0.05 1.08 -0.53 1.56 0.09 0.00 0.00 178.44 180.59 3mg3 h GLN 78 N 0.66 0.56 -0.62 1.13 7.50 -1.76 -1.47 115.11 121.10 3mg3 h GLN 78 Ca 0.07 -0.34 -0.00 0.00 0.50 0.00 0.00 58.65 58.87 3mg3 h GLN 78 Cb 0.87 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.41 3mg3 h GLN 78 CO 0.08 0.95 0.37 1.96 -1.50 0.00 0.00 178.83 180.69 3mg3 h GLN 79 N 0.43 0.85 -0.68 1.46 4.20 -0.83 -0.80 115.11 119.74 3mg3 h GLN 79 Ca 0.01 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3mg3 h GLN 79 Cb 1.07 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 3mg3 h GLN 79 CO 0.10 0.61 0.21 1.15 -0.67 0.00 0.00 178.83 180.24 3mg3 h THR 80 N 0.84 1.25 -0.56 -0.54 2.02 -1.16 -1.87 112.91 112.90 3mg3 h THR 80 Ca 0.22 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 3mg3 h THR 80 Cb -0.02 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3mg3 h THR 80 CO -0.04 0.34 0.15 -0.61 0.37 0.00 0.00 175.52 175.73 3mg3 h GLN 81 N 0.99 0.86 -0.57 6.66 5.75 -0.92 -0.47 115.11 127.41 3mg3 h GLN 81 Ca 0.22 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 3mg3 h GLN 81 Cb 0.30 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3mg3 h GLN 81 CO -0.01 0.76 -0.02 0.00 -2.65 0.00 0.00 178.83 176.91 3mg3 h ALA 82 N 1.34 0.77 -0.41 3.38 0.00 -0.73 0.47 119.26 124.08 3mg3 h ALA 82 Ca 0.18 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3mg3 h ALA 82 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mg3 h ALA 82 CO -0.00 0.62 -0.27 0.52 0.00 0.00 0.00 179.25 180.12 3mg3 h MET 83 N 0.90 0.87 -0.86 0.00 2.86 -1.03 -2.25 114.93 115.42 3mg3 h MET 83 Ca 0.16 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3mg3 h MET 83 Cb 0.57 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 3mg3 h MET 83 CO 0.03 1.03 0.47 0.00 1.06 0.00 0.00 176.91 179.51 3mg3 h ASP 85 N 1.21 1.10 -0.19 0.00 3.32 -0.46 0.83 116.42 122.22 3mg3 h ASP 85 Ca 0.30 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 3mg3 h ASP 85 Cb 0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3mg3 h ASP 85 CO -0.05 0.80 0.08 -0.07 -1.72 0.00 0.00 179.24 178.27 3mg3 h LEU 86 N 1.30 0.27 -1.02 1.55 3.38 -0.92 -1.01 115.31 118.87 3mg3 h LEU 86 Ca 0.36 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3mg3 h LEU 86 Cb -0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3mg3 h LEU 86 CO -0.08 0.36 -0.27 0.00 0.09 0.00 0.00 178.44 178.55 3mg3 h ALA 87 N 0.92 1.17 0.00 1.53 0.00 -0.75 -0.81 119.26 121.32 3mg3 h ALA 87 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mg3 h ALA 87 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3mg3 h ALA 87 CO -0.01 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.87 3mg3 n ASN 88 N -4.12 0.00 -3.03 0.00 3.02 0.23 -4.87 115.26 106.48 3mg3 n ASN 88 Ca -0.01 0.27 -0.22 0.00 -0.03 0.00 0.00 54.58 54.60 3mg3 n ASN 88 Cb 0.40 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.19 3mg3 n ASN 88 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mg3 n ARG 89 N -1.42 -5.45 -1.86 3.52 1.74 -0.65 -4.96 116.66 107.57 3mg3 n ARG 89 Ca 0.09 0.86 -0.33 0.00 -0.77 0.00 0.00 57.85 57.69 3mg3 n ARG 89 Cb 0.29 -5.68 0.04 0.00 -1.02 0.00 0.00 32.46 26.09 3mg3 n ARG 89 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mg3 s ALA 90 N -3.19 2.52 -0.70 7.54 0.00 -0.48 -4.65 121.76 122.80 3mg3 s ALA 90 Ca 0.36 0.60 -0.22 0.00 0.00 0.00 0.00 51.96 52.70 3mg3 s ALA 90 Cb -0.16 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.72 3mg3 s ALA 90 CO 0.44 -1.17 0.98 0.34 0.00 0.00 0.00 175.76 176.36 3mg3 s ASP 91 N -2.42 6.25 0.15 0.00 2.15 -1.26 -4.40 116.67 117.14 3mg3 s ASP 91 Ca 0.68 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 52.48 3mg3 s ASP 91 Cb -0.21 -2.41 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 3mg3 s ASP 91 CO 0.39 -1.37 0.03 0.42 -0.17 0.00 0.00 175.17 174.47 3mg3 s THR 92 N 3.79 0.33 0.20 1.71 -4.23 -1.26 -5.03 115.64 111.15 3mg3 s THR 92 Ca 0.24 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 3mg3 s THR 92 Cb -0.15 -2.06 0.12 0.00 1.34 0.00 0.00 72.50 71.74 3mg3 s THR 92 CO 0.07 -0.48 1.86 -0.65 -0.54 0.00 0.00 174.62 174.88 3mg3 h PRO 93 N 2.80 0.87 -0.60 3.99 0.11 -1.99 0.02 132.00 137.20 3mg3 h PRO 93 Ca -0.36 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3mg3 h PRO 93 Cb 1.20 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3mg3 h PRO 93 CO 0.61 0.58 0.33 1.25 -0.21 0.00 0.00 178.00 180.56 3mg3 h LEU 94 N 0.90 0.75 -1.24 2.35 5.85 -1.97 -0.54 115.31 121.41 3mg3 h LEU 94 Ca 0.24 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3mg3 h LEU 94 Cb -0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3mg3 h LEU 94 CO -0.05 0.63 0.02 0.00 -0.34 0.00 0.00 178.44 178.70 3mg3 h ARG 96 N 0.52 0.88 -0.19 0.00 3.08 -0.56 -0.90 114.38 117.21 3mg3 h ARG 96 Ca 0.12 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 3mg3 h ARG 96 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3mg3 h ARG 96 CO 0.01 1.08 0.06 1.15 -1.07 0.00 0.00 179.97 181.20 3mg3 h THR 97 N 0.73 1.18 -0.69 2.04 2.02 -0.64 -2.55 112.91 115.01 3mg3 h THR 97 Ca 0.07 -0.58 0.05 0.00 0.77 0.00 0.00 66.41 66.73 3mg3 h THR 97 Cb 0.92 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 3mg3 h THR 97 CO 0.08 0.18 0.40 0.22 0.37 0.00 0.00 175.52 176.78 3mg3 h TYR 98 N 0.14 0.74 0.00 3.16 3.20 -0.97 -1.48 116.97 121.76 3mg3 h TYR 98 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3mg3 h TYR 98 Cb 0.22 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3mg3 h TYR 98 CO -0.00 0.37 -0.03 0.00 -1.64 0.00 0.00 178.16 176.86 3mg3 h ALA 99 N 1.34 1.20 0.00 1.82 0.00 -0.91 -2.10 119.26 120.61 3mg3 h ALA 99 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3mg3 h ALA 99 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mg3 h ALA 99 CO -0.16 0.04 -0.02 -1.13 0.00 0.00 0.00 179.25 177.97 3mg3 n SER 100 N -3.41 0.23 -4.83 0.00 3.41 -0.56 -4.88 113.62 103.57 3mg3 n SER 100 Ca -0.02 0.49 -0.34 0.00 -0.26 0.00 0.00 58.87 58.74 3mg3 n SER 100 Cb 0.14 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 3mg3 n SER 100 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3mg3 s TRP 101 N -3.03 3.51 0.89 7.33 0.51 -0.79 -0.49 118.94 126.86 3mg3 s TRP 101 Ca 0.13 1.33 -0.11 0.00 -2.12 0.00 0.00 56.10 55.33 3mg3 s TRP 101 Cb 0.17 -2.60 0.12 0.00 -0.81 0.00 0.00 33.47 30.36 3mg3 s TRP 101 CO 0.55 0.20 1.09 -1.54 -0.51 0.00 0.00 176.95 176.75 3mg3 s SER 102 N -1.97 3.48 0.27 2.95 1.04 -0.20 -4.80 113.70 114.47 3mg3 s SER 102 Ca 0.49 1.67 -0.01 0.00 0.48 0.00 0.00 55.95 58.58 3mg3 s SER 102 Cb -0.13 -2.32 0.47 0.00 0.10 0.00 0.00 66.02 64.13 3mg3 s SER 102 CO 0.19 -2.66 1.87 -0.65 0.98 0.00 0.00 173.24 172.97 3mg3 h PRO 103 N -1.56 1.08 -0.65 4.02 0.11 -1.92 -1.89 132.00 131.19 3mg3 h PRO 103 Ca -0.48 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 3mg3 h PRO 103 Cb 1.27 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3mg3 h PRO 103 CO 0.52 0.71 0.35 -0.91 -0.21 0.00 0.00 178.00 178.46 3mg3 h ASN 104 N 1.11 0.80 -0.30 -2.05 2.35 -1.92 0.11 115.58 115.67 3mg3 h ASN 104 Ca 0.45 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.97 3mg3 h ASN 104 Cb 0.28 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3mg3 h ASN 104 CO -0.20 0.65 -0.48 0.40 -1.65 0.00 0.00 177.43 176.14 3mg3 h ILE 105 N 0.90 1.27 -0.49 2.81 2.04 -1.72 -1.07 117.51 121.26 3mg3 h ILE 105 Ca 0.23 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 3mg3 h ILE 105 Cb 0.03 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3mg3 h ILE 105 CO -0.04 0.55 0.23 0.11 0.00 0.00 0.00 178.15 179.00 3mg3 h LYS 106 N 0.69 0.72 -0.85 2.37 1.57 -0.96 -1.15 116.57 118.95 3mg3 h LYS 106 Ca 0.03 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3mg3 h LYS 106 Cb 1.08 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 3mg3 h LYS 106 CO 0.11 0.61 0.43 -0.07 -0.57 0.00 0.00 179.45 179.96 3mg3 h LEU 107 N 0.66 1.10 -0.89 2.94 3.38 -0.66 -2.37 115.31 119.47 3mg3 h LEU 107 Ca 0.17 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3mg3 h LEU 107 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3mg3 h LEU 107 CO -0.02 0.91 -0.55 1.23 0.09 0.00 0.00 178.44 180.10 3mg3 h GLY 108 N 1.22 0.03 0.85 0.83 0.00 -0.84 0.35 103.07 105.51 3mg3 h GLY 108 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3mg3 h GLY 108 CO -0.04 0.03 0.02 -2.75 0.00 0.00 0.00 176.54 173.80 3mg3 h PHE 109 N 0.02 0.07 -0.07 5.60 3.57 -0.93 -2.06 116.94 123.15 3mg3 h PHE 109 Ca -0.00 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 3mg3 h PHE 109 Cb 0.97 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3mg3 h PHE 109 CO 0.00 0.21 -0.53 -1.49 -2.23 0.00 0.00 178.31 174.28 3mg3 h TRP 110 N -0.09 0.24 -0.62 0.41 4.06 -1.18 -1.83 115.95 116.95 3mg3 h TRP 110 Ca 0.02 -0.08 0.05 0.00 2.06 0.00 0.00 58.89 60.93 3mg3 h TRP 110 Cb 0.17 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.24 3mg3 h TRP 110 CO -0.02 0.68 0.35 -0.92 -3.56 0.00 0.00 178.44 174.97 3mg3 h TYR 111 N 0.15 0.64 -0.25 0.49 3.20 -0.78 0.95 116.97 121.37 3mg3 h TYR 111 Ca 0.00 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.72 3mg3 h TYR 111 Cb 0.98 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3mg3 h TYR 111 CO 0.01 0.32 -0.53 -0.09 -1.64 0.00 0.00 178.16 176.24 3mg3 h ARG 112 N 0.66 0.80 -0.38 1.82 9.65 -1.11 -2.01 114.38 123.81 3mg3 h ARG 112 Ca 0.27 -0.53 -0.03 0.00 -1.10 0.00 0.00 59.98 58.59 3mg3 h ARG 112 Cb 0.13 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3mg3 h ARG 112 CO -0.16 1.15 0.10 -0.07 2.80 0.00 0.00 179.97 183.80 3mg3 h LEU 113 N 0.56 0.51 -0.31 3.80 3.38 -1.09 -1.35 115.31 120.80 3mg3 h LEU 113 Ca 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3mg3 h LEU 113 Cb 1.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3mg3 h LEU 113 CO 0.12 0.51 0.19 1.23 0.09 0.00 0.00 178.44 180.57 3mg3 h GLY 114 N 0.77 0.44 1.00 0.83 0.00 -0.53 0.14 103.07 105.72 3mg3 h GLY 114 Ca 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3mg3 h GLY 114 CO -0.00 0.18 0.43 0.83 0.00 0.00 0.00 176.54 177.97 3mg3 h GLU 115 N 0.40 0.96 -0.16 4.80 5.08 -0.90 -1.41 114.58 123.34 3mg3 h GLU 115 Ca 0.11 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3mg3 h GLU 115 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3mg3 h GLU 115 CO -0.02 0.67 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.19 3mg3 h LEU 116 N 0.96 0.39 -0.38 1.33 3.38 -0.74 -1.81 115.31 118.45 3mg3 h LEU 116 Ca 0.25 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3mg3 h LEU 116 Cb -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3mg3 h LEU 116 CO -0.05 0.76 -0.31 0.24 0.09 0.00 0.00 178.44 179.17 3mg3 h MET 117 N 0.31 0.89 -0.24 1.13 2.86 -0.52 -0.29 114.93 119.07 3mg3 h MET 117 Ca 0.03 -0.44 0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3mg3 h MET 117 Cb 0.85 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 3mg3 h MET 117 CO 0.07 1.09 0.16 0.93 1.06 0.00 0.00 176.91 180.23 3mg3 h GLU 118 N 0.70 0.26 0.00 1.72 5.08 -0.98 -1.79 114.58 119.57 3mg3 h GLU 118 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3mg3 h GLU 118 Cb 0.90 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3mg3 h GLU 118 CO 0.08 0.17 -0.48 1.04 -1.00 0.00 0.00 179.01 178.82 3mg3 n GLN 119 N -4.50 0.09 -0.66 2.33 6.02 -0.70 -4.96 117.38 115.00 3mg3 n GLN 119 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3mg3 n GLN 119 Cb 0.12 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.82 3mg3 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mg3 n GLY 120 N 1.45 0.70 0.06 1.08 0.00 -0.41 -4.95 105.19 103.12 3mg3 n GLY 120 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3mg3 n GLY 120 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3mg3 h PHE 121 N 0.00 0.00 -4.11 1.61 0.04 -1.36 -3.45 116.94 109.67 3mg3 h PHE 121 Ca 0.00 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 3mg3 h PHE 121 Cb 0.00 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 37.89 3mg3 h PHE 121 CO 0.00 0.00 -0.81 0.08 -0.60 0.00 0.00 178.31 176.98 3mg3 s VAL 122 N -3.19 1.22 -0.03 -0.55 1.01 -1.19 -4.99 120.40 112.69 3mg3 s VAL 122 Ca 0.05 -0.93 -0.33 0.00 0.00 0.00 0.00 61.98 60.76 3mg3 s VAL 122 Cb 0.13 -1.08 -0.12 0.00 0.00 0.00 0.00 36.38 35.32 3mg3 s VAL 122 CO 0.74 0.13 1.85 0.00 0.00 0.00 0.00 175.10 177.82 3mg3 n ALA 123 N 2.11 1.12 -1.92 5.51 0.00 -1.26 -4.33 120.51 121.73 3mg3 n ALA 123 Ca -0.17 0.30 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 3mg3 n ALA 123 Cb 0.54 -2.51 0.08 0.00 0.00 0.00 0.00 19.45 17.57 3mg3 n ALA 123 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mg3 s PRO 124 N 3.61 2.06 0.31 0.00 0.02 -1.26 -4.88 135.00 134.86 3mg3 s PRO 124 Ca 0.90 -0.13 -0.29 0.00 0.02 0.00 0.00 61.00 61.49 3mg3 s PRO 124 Cb -0.64 -2.08 -0.12 0.00 0.02 0.00 0.00 34.50 31.68 3mg3 s PRO 124 CO 0.48 -1.41 1.50 -0.89 -0.33 0.00 0.00 177.00 176.35 3mg3 n ILE 125 N -3.09 1.37 -1.68 2.83 2.08 -1.26 -4.88 119.36 114.72 3mg3 n ILE 125 Ca 0.08 -0.34 -0.42 0.00 0.56 0.00 0.00 62.75 62.64 3mg3 n ILE 125 Cb 0.61 -1.84 0.01 0.00 -0.75 0.00 0.00 39.64 37.66 3mg3 n ILE 125 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3mg3 n PRO 126 N 1.53 1.83 -1.77 0.38 -0.02 -1.26 -4.87 135.00 130.82 3mg3 n PRO 126 Ca 0.07 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 3mg3 n PRO 126 Cb 0.36 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3mg3 n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mg3 s ALA 127 N -1.18 3.73 -0.33 3.55 0.00 -1.26 -2.17 121.76 124.09 3mg3 s ALA 127 Ca 0.60 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.14 3mg3 s ALA 127 Cb -0.54 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.93 3mg3 s ALA 127 CO 0.59 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3mg3 n GLY 128 N 1.98 0.61 3.75 0.00 0.00 -1.26 -4.98 105.19 105.28 3mg3 n GLY 128 Ca 0.07 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3mg3 n GLY 128 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mg3 n TYR 129 N -2.77 2.85 -4.81 1.61 9.36 -0.92 -5.00 117.16 117.48 3mg3 n TYR 129 Ca -0.03 0.36 -0.33 0.00 3.32 0.00 0.00 57.90 61.22 3mg3 n TYR 129 Cb 0.17 -2.55 -0.14 0.00 -0.63 0.00 0.00 39.34 36.19 3mg3 n TYR 129 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3mg3 s GLN 130 N -1.23 3.15 0.66 2.98 -1.52 -1.26 -5.10 119.66 117.34 3mg3 s GLN 130 Ca 0.59 -0.69 -0.15 0.00 -1.95 0.00 0.00 55.36 53.16 3mg3 s GLN 130 Cb -0.50 -2.56 -0.00 0.00 -0.22 0.00 0.00 33.01 29.73 3mg3 s GLN 130 CO 0.56 0.33 1.12 -0.51 -0.25 0.00 0.00 175.29 176.53 3mg3 s LEU 131 N 0.05 3.41 1.09 2.90 1.43 -1.26 -5.03 118.68 121.27 3mg3 s LEU 131 Ca -0.05 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 3mg3 s LEU 131 Cb -0.14 -4.56 0.24 0.00 0.03 0.00 0.00 46.19 41.76 3mg3 s LEU 131 CO 0.04 -1.66 1.06 -0.94 0.23 0.00 0.00 176.35 175.08 3mg3 s SER 132 N -2.48 1.62 0.11 2.29 1.04 -1.26 -4.70 113.70 110.33 3mg3 s SER 132 Ca 0.68 1.58 -0.23 0.00 0.48 0.00 0.00 55.95 58.46 3mg3 s SER 132 Cb -0.21 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 3mg3 s SER 132 CO 0.41 -3.81 1.69 0.00 0.98 0.00 0.00 173.24 172.50 3mg3 h ALA 133 N -2.36 -0.09 -0.56 5.32 0.00 -2.00 -0.79 119.26 118.78 3mg3 h ALA 133 Ca -0.57 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3mg3 h ALA 133 Cb 1.32 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3mg3 h ALA 133 CO 0.50 -0.59 0.16 -0.91 0.00 0.00 0.00 179.25 178.41 3mg3 h ASN 134 N -0.17 0.79 -0.37 0.00 4.21 -2.00 -2.93 115.58 115.11 3mg3 h ASN 134 Ca 0.05 -0.13 -0.12 0.00 1.21 0.00 0.00 56.30 57.31 3mg3 h ASN 134 Cb 0.23 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 3mg3 h ASN 134 CO -0.13 0.76 -0.25 0.00 -1.29 0.00 0.00 177.43 176.52 3mg3 h ALA 135 N 1.35 0.53 -0.83 -0.83 0.00 -1.76 -1.72 119.26 115.99 3mg3 h ALA 135 Ca 0.19 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3mg3 h ALA 135 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3mg3 h ALA 135 CO -0.01 0.52 0.39 -0.91 0.00 0.00 0.00 179.25 179.24 3mg3 h ASN 136 N 0.61 1.09 -0.75 0.00 2.35 -1.08 -1.02 115.58 116.78 3mg3 h ASN 136 Ca 0.07 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3mg3 h ASN 136 Cb 0.82 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 3mg3 h ASN 136 CO 0.07 0.93 0.38 0.00 -1.65 0.00 0.00 177.43 177.15 3mg3 h ALA 137 N 1.24 1.23 -0.38 -0.83 0.00 -1.32 -0.39 119.26 118.80 3mg3 h ALA 137 Ca 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3mg3 h ALA 137 Cb 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mg3 h ALA 137 CO -0.03 0.60 0.04 0.28 0.00 0.00 0.00 179.25 180.14 3mg3 h VAL 138 N 1.08 1.25 -0.64 0.00 2.07 -0.85 -1.46 116.25 117.70 3mg3 h VAL 138 Ca 0.27 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 3mg3 h VAL 138 Cb 0.09 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3mg3 h VAL 138 CO -0.04 0.31 0.04 0.25 0.02 0.00 0.00 177.57 178.15 3mg3 h LEU 139 N 0.49 1.06 -0.61 2.57 5.85 -0.99 -1.60 115.31 122.08 3mg3 h LEU 139 Ca 0.11 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.62 3mg3 h LEU 139 Cb 0.40 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3mg3 h LEU 139 CO 0.01 1.09 0.30 0.00 -0.34 0.00 0.00 178.44 179.49 3mg3 h ALA 140 N 1.02 0.81 -0.29 1.25 0.00 -0.90 -0.32 119.26 120.84 3mg3 h ALA 140 Ca 0.19 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3mg3 h ALA 140 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3mg3 h ALA 140 CO 0.02 -0.08 0.14 1.15 0.00 0.00 0.00 179.25 180.49 3mg3 h THR 141 N 0.54 0.98 -0.36 0.00 2.02 -0.78 -2.38 112.91 112.93 3mg3 h THR 141 Ca 0.29 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3mg3 h THR 141 Cb 0.26 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3mg3 h THR 141 CO -0.23 0.05 0.23 0.40 0.37 0.00 0.00 175.52 176.34 3mg3 h ILE 142 N 0.29 1.06 0.00 3.11 2.04 -0.87 -2.02 117.51 121.12 3mg3 h ILE 142 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3mg3 h ILE 142 Cb 0.04 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3mg3 h ILE 142 CO -0.09 0.08 0.00 1.56 0.00 0.00 0.00 178.15 179.71 3mg3 h GLN 143 N 0.46 0.00 0.00 2.37 4.20 -0.79 -1.75 115.11 119.59 3mg3 h GLN 143 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3mg3 h GLN 143 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3mg3 h GLN 143 CO -0.05 0.00 -0.11 0.41 -0.67 0.00 0.00 178.83 178.41 3mg3 n GLY 144 N -0.28 -1.49 3.86 3.46 0.00 -0.77 -4.94 105.19 105.03 3mg3 n GLY 144 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3mg3 n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mg3 s LEU 145 N -3.31 3.57 0.74 0.99 1.43 -0.66 -5.05 118.68 116.38 3mg3 s LEU 145 Ca 0.13 1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 54.43 3mg3 s LEU 145 Cb 0.17 -4.31 0.03 0.00 0.03 0.00 0.00 46.19 42.11 3mg3 s LEU 145 CO 0.58 -0.62 1.06 -0.62 0.23 0.00 0.00 176.35 176.98 3mg3 n GLU 146 N -1.90 0.49 -0.27 1.70 1.02 -1.26 -4.72 120.64 115.69 3mg3 n GLU 146 Ca 0.05 0.23 0.06 0.00 -0.02 0.00 0.00 57.16 57.47 3mg3 n GLU 146 Cb 0.54 -2.31 0.29 0.00 -0.02 0.00 0.00 31.44 29.94 3mg3 n GLU 146 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3mg3 h SER 147 N -0.35 0.80 -0.06 1.62 0.02 -1.96 -0.54 113.55 113.08 3mg3 h SER 147 Ca -0.47 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 3mg3 h SER 147 Cb 1.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3mg3 h SER 147 CO 0.47 0.50 -0.15 1.23 -1.14 0.00 0.00 176.83 177.74 3mg3 h GLY 148 N 0.90 0.43 1.42 -3.77 0.00 -1.91 -1.70 103.07 98.44 3mg3 h GLY 148 Ca 0.38 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 47.21 3mg3 h GLY 148 CO -0.15 0.27 -0.80 1.46 0.00 0.00 0.00 176.54 177.33 3mg3 h GLN 149 N 0.37 0.56 -0.13 4.80 4.20 -1.54 -2.92 115.11 120.45 3mg3 h GLN 149 Ca 0.07 -0.49 0.01 0.00 0.06 0.00 0.00 58.65 58.30 3mg3 h GLN 149 Cb 0.49 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3mg3 h GLN 149 CO 0.03 1.11 0.06 1.96 -0.67 0.00 0.00 178.83 181.32 3mg3 h GLN 150 N 0.37 0.13 0.00 1.46 4.20 -0.71 -1.20 115.11 119.36 3mg3 h GLN 150 Ca -0.05 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3mg3 h GLN 150 Cb 1.41 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 3mg3 h GLN 150 CO 0.15 0.09 -0.25 -0.84 -0.67 0.00 0.00 178.83 177.31 3mg3 h ILE 151 N 0.14 0.78 -0.08 2.54 3.07 -1.38 -1.74 117.51 120.83 3mg3 h ILE 151 Ca 0.05 -1.02 -0.21 0.00 1.55 0.00 0.00 64.86 65.24 3mg3 h ILE 151 Cb 0.01 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 3mg3 h ILE 151 CO -0.04 0.24 -0.81 0.74 -1.05 0.00 0.00 178.15 177.23 3mg3 h THR 152 N 0.00 1.34 -0.32 0.16 2.02 -1.25 -0.82 112.91 114.04 3mg3 h THR 152 Ca -0.00 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.03 3mg3 h THR 152 Cb 0.60 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3mg3 h THR 152 CO 0.03 0.66 0.21 0.58 0.37 0.00 0.00 175.52 177.37 3mg3 h VAL 153 N 0.36 1.09 -0.55 3.16 2.07 -0.85 -1.14 116.25 120.39 3mg3 h VAL 153 Ca -0.06 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3mg3 h VAL 153 Cb 1.42 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3mg3 h VAL 153 CO 0.15 0.08 0.18 -0.07 0.02 0.00 0.00 177.57 177.93 3mg3 h LEU 154 N 0.44 0.80 -0.20 2.57 3.38 -1.18 -0.89 115.31 120.22 3mg3 h LEU 154 Ca 0.12 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3mg3 h LEU 154 Cb -0.05 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3mg3 h LEU 154 CO -0.03 0.79 -0.10 0.25 0.09 0.00 0.00 178.44 179.44 3mg3 h LEU 155 N 0.77 -0.34 -0.77 1.67 5.85 -0.98 -1.21 115.31 120.29 3mg3 h LEU 155 Ca 0.18 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 3mg3 h LEU 155 Cb 0.27 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3mg3 h LEU 155 CO -0.01 -0.14 0.14 0.78 -0.34 0.00 0.00 178.44 178.88 3mg3 h ASN 156 N -0.08 1.01 -0.72 1.25 2.35 -0.93 -0.08 115.58 118.38 3mg3 h ASN 156 Ca 0.11 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3mg3 h ASN 156 Cb 0.25 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 3mg3 h ASN 156 CO -0.25 0.99 0.45 0.00 -1.65 0.00 0.00 177.43 176.96 3mg3 h ALA 157 N 1.13 0.95 -0.27 -0.83 0.00 -0.83 -1.33 119.26 118.08 3mg3 h ALA 157 Ca 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3mg3 h ALA 157 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3mg3 h ALA 157 CO 0.01 0.22 -0.03 0.28 0.00 0.00 0.00 179.25 179.73 3mg3 h VAL 158 N 0.87 1.27 -0.25 0.00 2.07 -0.88 -3.18 116.25 116.15 3mg3 h VAL 158 Ca 0.29 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 3mg3 h VAL 158 Cb 0.04 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3mg3 h VAL 158 CO -0.12 0.31 -0.17 0.58 0.02 0.00 0.00 177.57 178.19 3mg3 h VAL 159 N 0.26 1.24 0.00 2.57 2.07 -0.74 -2.74 116.25 118.90 3mg3 h VAL 159 Ca 0.07 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3mg3 h VAL 159 Cb 0.47 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3mg3 h VAL 159 CO 0.02 0.34 0.00 0.47 0.02 0.00 0.00 177.57 178.42 3mg3 n ASP 160 N -4.18 0.00 -4.84 0.57 8.00 -0.53 -4.84 116.55 110.74 3mg3 n ASP 160 Ca 0.00 0.44 -0.29 0.00 0.71 0.00 0.00 54.79 55.65 3mg3 n ASP 160 Cb 0.34 -0.47 0.11 0.00 -0.02 0.00 0.00 41.12 41.08 3mg3 n ASP 160 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3mg3 s MET 161 N -2.95 1.65 0.42 -1.24 -1.94 -1.04 -4.89 119.30 109.31 3mg3 s MET 161 Ca 0.11 0.25 0.00 0.00 -1.71 0.00 0.00 55.69 54.34 3mg3 s MET 161 Cb 0.13 -1.90 0.00 0.00 2.01 0.00 0.00 34.83 35.07 3mg3 s MET 161 CO 0.37 -1.84 0.00 0.41 -0.01 0.00 0.00 175.02 173.95 3mg3 n GLY 162 N -2.71 -2.32 2.78 -0.03 0.00 -0.36 -4.69 105.19 97.86 3mg3 n GLY 162 Ca 0.07 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 3mg3 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mg3 s PHE 163 N -0.33 0.73 0.15 1.61 5.36 -0.71 -4.28 117.98 120.51 3mg3 s PHE 163 Ca 0.00 -0.22 -0.04 0.00 -0.96 0.00 0.00 56.93 55.71 3mg3 s PHE 163 Cb 0.00 -0.83 -0.05 0.00 -0.34 0.00 0.00 43.02 41.79 3mg3 s PHE 163 CO 0.00 -0.35 0.38 0.99 -1.46 0.00 0.00 175.22 174.79 3mg3 s THR 164 N 1.95 5.17 0.16 0.12 2.01 -1.26 -4.07 115.64 119.72 3mg3 s THR 164 Ca 0.05 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3mg3 s THR 164 Cb -0.12 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3mg3 s THR 164 CO -0.05 0.01 0.00 2.29 -0.69 0.00 0.00 174.62 176.17 3mg3 n LYS 170 N -0.02 -1.54 -4.03 4.92 2.85 -1.26 -5.17 118.16 113.91 3mg3 n LYS 170 Ca -0.03 1.14 -0.27 0.00 -1.05 0.00 0.00 58.31 58.11 3mg3 n LYS 170 Cb 0.52 -1.63 -0.17 0.00 -0.65 0.00 0.00 35.03 33.10 3mg3 n LYS 170 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3mg3 s ARG 171 N -2.68 1.60 -0.18 -1.58 0.52 -1.26 -4.64 118.95 110.73 3mg3 s ARG 171 Ca 0.00 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 3mg3 s ARG 171 Cb 0.00 -1.58 -0.01 0.00 0.52 0.00 0.00 34.95 33.87 3mg3 s ARG 171 CO 0.00 -0.21 -0.07 0.42 0.02 0.00 0.00 175.30 175.45 3mg3 s ILE 172 N 1.51 3.31 0.17 1.52 1.01 0.35 -5.03 121.20 124.04 3mg3 s ILE 172 Ca 0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3mg3 s ILE 172 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3mg3 s ILE 172 CO -0.06 0.47 0.08 0.00 0.00 0.00 0.00 174.94 175.43 3mg3 s ALA 173 N 0.94 1.08 0.66 9.38 0.00 -1.26 -1.04 121.76 131.52 3mg3 s ALA 173 Ca -0.01 -1.60 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 3mg3 s ALA 173 Cb -0.15 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.02 3mg3 s ALA 173 CO 0.00 -0.51 1.14 -1.21 0.00 0.00 0.00 175.76 175.18 3mg3 s GLU 174 N -4.08 2.72 0.57 0.00 2.02 -1.26 -4.99 118.70 113.69 3mg3 s GLU 174 Ca 0.31 1.52 -0.20 0.00 0.02 0.00 0.00 54.97 56.62 3mg3 s GLU 174 Cb 0.07 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 3mg3 s GLU 174 CO 0.07 -1.34 1.04 -2.30 0.02 0.00 0.00 175.26 172.75 3mg3 n PRO 175 N -2.31 1.08 -2.55 0.39 -0.02 -1.26 -4.92 135.00 125.41 3mg3 n PRO 175 Ca 0.11 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3mg3 n PRO 175 Cb 0.51 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3mg3 n PRO 175 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mg3 s VAL 176 N -1.44 4.27 0.42 -1.45 1.01 -1.26 -5.03 120.40 116.92 3mg3 s VAL 176 Ca 0.74 1.72 -0.22 0.00 0.00 0.00 0.00 61.98 64.22 3mg3 s VAL 176 Cb -0.43 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 3mg3 s VAL 176 CO 0.48 0.18 0.95 0.68 0.00 0.00 0.00 175.10 177.40 3mg3 s VAL 177 N 0.64 4.35 0.42 2.92 -7.23 -1.26 -5.02 120.40 115.21 3mg3 s VAL 177 Ca 0.54 1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 61.97 3mg3 s VAL 177 Cb -0.27 -3.64 -0.08 0.00 0.56 0.00 0.00 36.38 32.95 3mg3 s VAL 177 CO 0.30 -0.27 1.15 -2.84 -0.31 0.00 0.00 175.10 173.13 3mg3 s PRO 178 N -3.06 3.99 0.81 4.82 0.02 -1.26 -4.98 135.00 135.35 3mg3 s PRO 178 Ca 0.61 1.76 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 3mg3 s PRO 178 Cb -0.10 -2.57 0.09 0.00 0.02 0.00 0.00 34.50 31.93 3mg3 s PRO 178 CO 0.14 -0.35 1.19 -2.14 -0.33 0.00 0.00 177.00 175.51 3mg3 s PRO 179 N -2.45 1.64 0.32 5.54 0.02 -1.26 -4.91 135.00 133.91 3mg3 s PRO 179 Ca 0.59 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 63.00 3mg3 s PRO 179 Cb -0.28 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 3mg3 s PRO 179 CO 0.35 -2.20 1.38 -1.14 -0.33 0.00 0.00 177.00 175.06 3mg3 s GLN 180 N -4.24 4.28 0.33 5.54 0.74 0.25 -4.92 119.66 121.63 3mg3 s GLN 180 Ca 0.71 2.32 -0.29 0.00 0.05 0.00 0.00 55.36 58.15 3mg3 s GLN 180 Cb -0.27 -3.06 -0.12 0.00 1.10 0.00 0.00 33.01 30.67 3mg3 s GLN 180 CO 0.51 -0.32 1.50 -0.40 -0.55 0.00 0.00 175.29 176.04 3mg3 n ASP 181 N 1.06 3.59 -0.29 6.67 5.75 -1.26 -4.87 116.55 127.20 3mg3 n ASP 181 Ca 0.02 1.18 0.12 0.00 -0.01 0.00 0.00 54.79 56.10 3mg3 n ASP 181 Cb 0.41 -1.57 0.28 0.00 -1.03 0.00 0.00 41.12 39.20 3mg3 n ASP 181 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mg3 h THR 182 N 3.07 0.45 -0.93 2.12 1.03 -1.99 -0.87 112.91 115.80 3mg3 h THR 182 Ca -0.48 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 3mg3 h THR 182 Cb 1.24 0.08 -0.05 0.00 -1.07 0.00 0.00 68.15 68.36 3mg3 h THR 182 CO 0.71 0.06 0.60 0.00 -0.01 0.00 0.00 175.52 176.88 3mg3 h ALA 183 N 1.70 1.18 0.00 0.00 0.00 -2.03 -2.84 119.26 117.28 3mg3 h ALA 183 Ca 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3mg3 h ALA 183 Cb 1.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3mg3 h ALA 183 CO -0.55 0.60 0.00 0.77 0.00 0.00 0.00 179.25 180.08 3mg3 h SER 184 N 1.27 0.00 -3.87 0.00 0.02 -1.51 -3.46 113.55 105.99 3mg3 h SER 184 Ca 0.34 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.76 3mg3 h SER 184 Cb -0.11 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.50 3mg3 h SER 184 CO -0.07 0.00 0.67 -0.13 -1.14 0.00 0.00 176.83 176.16 3mg3 s ARG 185 N -3.43 4.31 0.34 3.45 0.52 -1.07 -5.03 118.95 118.03 3mg3 s ARG 185 Ca 0.04 2.28 0.04 0.00 -0.52 0.00 0.00 55.73 57.57 3mg3 s ARG 185 Cb 0.09 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 3mg3 s ARG 185 CO 0.51 -0.26 0.50 0.95 0.02 0.00 0.00 175.30 177.02 3mg3 s THR 186 N -1.09 4.52 -0.03 0.02 -4.23 -1.26 -5.10 115.64 108.47 3mg3 s THR 186 Ca 0.50 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 60.28 3mg3 s THR 186 Cb -0.41 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 3mg3 s THR 186 CO 0.54 -0.30 -0.25 -0.54 -0.54 0.00 0.00 174.62 173.53 3mg3 s LYS 187 N -4.23 2.22 0.64 3.99 1.02 -1.26 -4.94 119.74 117.18 3mg3 s LYS 187 Ca 0.42 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 3mg3 s LYS 187 Cb -0.09 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 3mg3 s LYS 187 CO 0.33 0.49 1.04 0.14 -0.92 0.00 0.00 175.35 176.42 3mg3 s VAL 188 N -0.44 4.50 -0.06 3.17 -7.23 -1.26 -5.08 120.40 114.00 3mg3 s VAL 188 Ca 0.05 0.83 0.02 0.00 -1.81 0.00 0.00 61.98 61.07 3mg3 s VAL 188 Cb -0.11 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.12 3mg3 s VAL 188 CO 0.01 -1.04 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.08 3mg3 s SER 189 N -4.01 1.75 -0.13 4.85 0.15 -1.26 -5.07 113.70 109.97 3mg3 s SER 189 Ca 0.56 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.93 3mg3 s SER 189 Cb -0.12 -0.77 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 3mg3 s SER 189 CO 0.53 0.04 -0.14 -0.63 1.20 0.00 0.00 173.24 174.25 3mg3 s ILE 190 N 0.59 1.47 0.22 6.45 1.01 -1.26 -4.66 121.20 125.01 3mg3 s ILE 190 Ca -0.13 -0.59 -0.32 0.00 0.00 0.00 0.00 60.65 59.61 3mg3 s ILE 190 Cb -0.15 -1.38 -0.12 0.00 0.01 0.00 0.00 42.46 40.81 3mg3 s ILE 190 CO 0.03 0.44 1.70 -0.62 0.00 0.00 0.00 174.94 176.49 3mg3 n GLU 191 N 4.63 2.72 0.00 2.79 1.02 -0.27 -1.99 120.64 129.53 3mg3 n GLU 191 Ca -0.17 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 3mg3 n GLU 191 Cb 0.50 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 3mg3 n GLU 191 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mg3 n GLY 192 N 3.69 2.51 2.93 0.62 0.00 -1.26 -1.44 105.19 112.24 3mg3 n GLY 192 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3mg3 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mg3 s VAL 193 N -2.26 1.37 -1.29 1.61 1.01 -0.84 -4.85 120.40 115.15 3mg3 s VAL 193 Ca 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 61.98 61.21 3mg3 s VAL 193 Cb 0.00 -1.54 0.15 0.00 0.00 0.00 0.00 36.38 34.99 3mg3 s VAL 193 CO 0.00 0.09 0.96 0.35 0.00 0.00 0.00 175.10 176.50 3mg3 n THR 194 N 4.77 0.26 -1.69 3.92 -2.24 -1.26 -4.39 114.28 113.65 3mg3 n THR 194 Ca -0.13 -0.63 -0.54 0.00 -2.27 0.00 0.00 64.05 60.48 3mg3 n THR 194 Cb 0.47 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 3mg3 n THR 194 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3mg3 n ASN 195 N 0.61 2.79 -0.14 3.42 2.85 -1.26 -4.85 115.26 118.67 3mg3 n ASN 195 Ca 0.08 1.01 -0.01 0.00 -0.11 0.00 0.00 54.58 55.54 3mg3 n ASN 195 Cb 0.32 -1.23 0.23 0.00 1.24 0.00 0.00 39.78 40.33 3mg3 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mg3 h ALA 196 N 8.24 1.32 -0.39 5.20 0.00 -1.98 -1.34 119.26 130.31 3mg3 h ALA 196 Ca -0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 3mg3 h ALA 196 Cb 1.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3mg3 h ALA 196 CO 0.96 0.51 0.09 1.15 0.00 0.00 0.00 179.25 181.96 3mg3 h THR 197 N 0.84 1.23 -0.20 0.00 2.02 -1.89 0.41 112.91 115.33 3mg3 h THR 197 Ca 0.20 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3mg3 h THR 197 Cb 0.15 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3mg3 h THR 197 CO -0.02 0.27 0.06 0.58 0.37 0.00 0.00 175.52 176.78 3mg3 h VAL 198 N 0.49 1.19 -0.67 3.16 2.07 -1.83 0.11 116.25 120.77 3mg3 h VAL 198 Ca 0.12 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3mg3 h VAL 198 Cb 0.32 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3mg3 h VAL 198 CO 0.00 0.19 0.37 -0.07 0.02 0.00 0.00 177.57 178.09 3mg3 h LEU 199 N 0.14 0.83 -0.87 2.57 3.38 -1.18 -1.96 115.31 118.22 3mg3 h LEU 199 Ca 0.06 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3mg3 h LEU 199 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3mg3 h LEU 199 CO -0.00 0.68 -0.18 0.78 0.09 0.00 0.00 178.44 179.81 3mg3 h ASN 200 N 0.91 0.64 0.05 -0.43 2.35 -0.69 -0.20 115.58 118.21 3mg3 h ASN 200 Ca 0.24 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3mg3 h ASN 200 Cb 0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3mg3 h ASN 200 CO -0.04 0.83 -0.09 0.22 -1.65 0.00 0.00 177.43 176.69 3mg3 h TYR 201 N 0.58 -0.24 -0.36 1.19 3.20 -0.39 -0.50 116.97 120.45 3mg3 h TYR 201 Ca 0.09 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3mg3 h TYR 201 Cb 0.63 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3mg3 h TYR 201 CO 0.03 -0.14 0.00 0.52 -1.64 0.00 0.00 178.16 176.92 3mg3 h MET 202 N -0.18 0.64 -0.35 1.82 2.86 -1.10 -1.64 114.93 116.97 3mg3 h MET 202 Ca 0.02 -0.20 -0.16 0.00 -2.06 0.00 0.00 59.70 57.30 3mg3 h MET 202 Cb 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3mg3 h MET 202 CO -0.06 0.75 -0.40 -0.44 1.06 0.00 0.00 176.91 177.81 3mg3 h ASP 203 N 0.45 0.92 0.39 1.22 3.32 -0.97 -1.35 116.42 120.41 3mg3 h ASP 203 Ca 0.10 -0.43 -0.14 0.00 0.02 0.00 0.00 57.03 56.58 3mg3 h ASP 203 Cb 0.46 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3mg3 h ASP 203 CO 0.02 1.20 -0.60 0.78 -1.72 0.00 0.00 179.24 178.93 3mg3 h ASN 204 N 0.70 0.23 -0.34 6.45 2.35 -1.03 -2.39 115.58 121.55 3mg3 h ASN 204 Ca 0.05 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 3mg3 h ASN 204 Cb 0.98 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3mg3 h ASN 204 CO 0.09 0.77 -0.28 0.25 -1.65 0.00 0.00 177.43 176.62 3mg3 h LEU 205 N 0.15 0.84 -2.72 1.61 5.85 -1.11 0.20 115.31 120.13 3mg3 h LEU 205 Ca -0.01 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3mg3 h LEU 205 Cb 1.09 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 3mg3 h LEU 205 CO 0.09 1.11 -0.01 0.78 -0.34 0.00 0.00 178.44 180.08 3mg3 h ASN 206 N 0.58 0.00 -0.42 1.25 2.35 -1.15 -1.67 115.58 116.52 3mg3 h ASN 206 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3mg3 h ASN 206 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3mg3 h ASN 206 CO 0.07 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 3mg3 n ALA 207 N -2.14 2.42 -2.41 -0.83 0.00 -0.91 -4.93 120.51 111.71 3mg3 n ALA 207 Ca -0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.26 3mg3 n ALA 207 Cb 0.10 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3mg3 n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mg3 n ASN 208 N 1.42 -4.79 -4.18 0.00 3.02 -0.63 -0.59 115.26 109.51 3mg3 n ASN 208 Ca 0.20 0.11 -0.44 0.00 -0.03 0.00 0.00 54.58 54.42 3mg3 n ASN 208 Cb 0.58 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 3mg3 n ASN 208 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3mg3 n ASP 209 N -1.89 5.46 0.11 6.41 -0.08 0.01 -4.27 116.55 122.31 3mg3 n ASP 209 Ca -0.19 -3.11 -0.04 0.00 -1.51 0.00 0.00 54.79 49.94 3mg3 n ASP 209 Cb 0.64 -1.45 0.09 0.00 2.34 0.00 0.00 41.12 42.74 3mg3 n ASP 209 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3mg3 h PHE 210 N 6.32 0.10 -0.47 -0.67 0.04 -1.91 -1.49 116.94 118.87 3mg3 h PHE 210 Ca 0.29 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 3mg3 h PHE 210 Cb 0.75 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 3mg3 h PHE 210 CO 1.06 0.76 -0.04 -0.44 -0.60 0.00 0.00 178.31 179.04 3mg3 h ASP 211 N 0.05 0.78 -0.24 2.17 3.32 -1.98 -1.13 116.42 119.38 3mg3 h ASP 211 Ca -0.01 -0.21 -0.19 0.00 0.02 0.00 0.00 57.03 56.64 3mg3 h ASP 211 Cb 1.26 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3mg3 h ASP 211 CO 0.10 0.87 -0.58 0.74 -1.72 0.00 0.00 179.24 178.65 3mg3 h THR 212 N 0.74 1.28 -0.66 0.35 2.02 -1.93 -3.28 112.91 111.43 3mg3 h THR 212 Ca 0.14 -1.78 0.02 0.00 0.77 0.00 0.00 66.41 65.56 3mg3 h THR 212 Cb 0.51 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 3mg3 h THR 212 CO 0.03 0.57 0.42 0.25 0.37 0.00 0.00 175.52 177.16 3mg3 h LEU 213 N 0.57 0.70 -1.45 2.58 5.85 -1.06 -2.64 115.31 119.85 3mg3 h LEU 213 Ca -0.01 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3mg3 h LEU 213 Cb 1.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3mg3 h LEU 213 CO 0.13 0.49 -0.26 -0.29 -0.34 0.00 0.00 178.44 178.17 3mg3 h ILE 214 N 0.83 0.89 0.00 4.05 6.09 -1.28 -1.44 117.51 126.66 3mg3 h ILE 214 Ca 0.26 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 3mg3 h ILE 214 Cb -0.02 1.59 0.00 0.00 0.47 0.00 0.00 36.82 38.86 3mg3 h ILE 214 CO -0.09 0.26 0.00 -0.33 -3.07 0.00 0.00 178.15 174.92 3mg3 h GLU 215 N 0.00 0.00 0.00 2.19 5.08 -1.52 -1.96 114.58 118.37 3mg3 h GLU 215 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mg3 h GLU 215 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3mg3 h GLU 215 CO 0.03 0.00 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.94 3mg3 h LEU 216 N 0.00 0.00-10.03 1.33 3.38 -1.34 -3.47 115.31 105.18 3mg3 h LEU 216 Ca 0.00 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.46 3mg3 h LEU 216 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3mg3 h LEU 216 CO 0.00 0.01 0.07 -0.36 0.09 0.00 0.00 178.44 178.25 3mg3 s PHE 217 N -3.12 3.39 0.80 1.13 0.08 -0.74 -0.05 117.98 119.47 3mg3 s PHE 217 Ca 0.10 1.14 -0.11 0.00 0.12 0.00 0.00 56.93 58.18 3mg3 s PHE 217 Cb 0.12 -2.48 0.07 0.00 -0.57 0.00 0.00 43.02 40.16 3mg3 s PHE 217 CO 0.61 0.09 1.09 0.95 -0.10 0.00 0.00 175.22 177.86 3mg3 s THR 218 N -2.02 3.20 0.48 0.64 -4.23 -0.41 -4.72 115.64 108.58 3mg3 s THR 218 Ca 0.53 0.39 0.14 0.00 -1.18 0.00 0.00 61.69 61.57 3mg3 s THR 218 Cb -0.10 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 71.11 3mg3 s THR 218 CO 0.20 -0.51 2.09 0.28 -0.54 0.00 0.00 174.62 176.15 3mg3 h SER 219 N -1.21 0.07 -0.54 3.99 0.02 -1.97 -0.91 113.55 113.00 3mg3 h SER 219 Ca -0.45 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3mg3 h SER 219 Cb 1.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3mg3 h SER 219 CO 0.52 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 175.41 3mg3 n ASP 220 N -4.47 4.20 -4.74 3.07 5.75 -1.26 -3.12 116.55 115.97 3mg3 n ASP 220 Ca -0.02 -2.39 -0.32 0.00 -0.01 0.00 0.00 54.79 52.05 3mg3 n ASP 220 Cb 0.13 -0.49 0.10 0.00 -1.03 0.00 0.00 41.12 39.82 3mg3 n ASP 220 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3mg3 s GLY 221 N -1.08 1.87 0.11 6.12 0.00 -0.35 -4.21 107.32 109.78 3mg3 s GLY 221 Ca 0.44 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.68 3mg3 s GLY 221 CO 0.22 0.85 -0.10 0.00 0.00 0.00 0.00 173.10 174.07 3mg3 s ALA 222 N -2.60 1.25 -0.06 3.20 0.00 -0.48 -0.46 121.76 122.60 3mg3 s ALA 222 Ca 0.65 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3mg3 s ALA 222 Cb -0.21 0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3mg3 s ALA 222 CO 0.52 -0.05 -0.10 -1.17 0.00 0.00 0.00 175.76 174.96 3mg3 s LEU 223 N -2.69 1.53 -0.31 0.00 0.20 -0.45 -1.20 118.68 115.77 3mg3 s LEU 223 Ca 0.09 -0.25 -0.02 0.00 0.69 0.00 0.00 54.13 54.65 3mg3 s LEU 223 Cb -0.01 -0.71 0.05 0.00 -0.43 0.00 0.00 46.19 45.09 3mg3 s LEU 223 CO 0.00 -0.00 0.01 -1.58 -0.29 0.00 0.00 176.35 174.49 3mg3 s GLN 224 N 0.79 2.45 0.89 1.98 0.74 0.42 -0.41 119.66 126.51 3mg3 s GLN 224 Ca -0.13 -1.26 -0.12 0.00 0.05 0.00 0.00 55.36 53.90 3mg3 s GLN 224 Cb -0.15 -3.21 0.12 0.00 1.10 0.00 0.00 33.01 30.87 3mg3 s GLN 224 CO 0.02 -0.63 1.11 -2.14 -0.55 0.00 0.00 175.29 173.10 3mg3 s PRO 225 N 1.27 1.34 -0.00 1.67 0.02 -1.26 -0.53 135.00 137.50 3mg3 s PRO 225 Ca -0.05 0.51 -0.34 0.00 0.02 0.00 0.00 61.00 61.15 3mg3 s PRO 225 Cb -0.20 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 3mg3 s PRO 225 CO -0.01 -2.11 1.78 -2.30 -0.33 0.00 0.00 177.00 174.03 3mg3 n PRO 226 N -3.74 2.17 -1.31 5.54 -0.02 -0.89 -1.98 135.00 134.76 3mg3 n PRO 226 Ca 0.07 0.79 -0.11 0.00 -2.02 0.00 0.00 63.50 62.23 3mg3 n PRO 226 Cb 0.57 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 3mg3 n PRO 226 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mg3 n PHE 227 N 5.56 0.00 -4.39 6.00 3.72 -1.26 -4.99 117.46 122.10 3mg3 n PHE 227 Ca 0.21 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.36 3mg3 n PHE 227 Cb 0.29 -2.30 -0.09 0.00 -0.94 0.00 0.00 39.48 36.45 3mg3 n PHE 227 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3mg3 s GLN 228 N -2.76 2.00 0.70 -1.08 -1.52 -0.84 -5.08 119.66 111.09 3mg3 s GLN 228 Ca 0.00 -1.75 -0.11 0.00 -1.95 0.00 0.00 55.36 51.55 3mg3 s GLN 228 Cb 0.00 -1.89 0.01 0.00 -0.22 0.00 0.00 33.01 30.91 3mg3 s GLN 228 CO 0.00 0.19 1.06 1.03 -0.25 0.00 0.00 175.29 177.32 3mg3 s ARG 229 N -3.66 2.87 0.38 2.91 1.81 -1.26 -4.53 118.95 117.46 3mg3 s ARG 229 Ca 0.33 0.89 -0.28 0.00 -1.72 0.00 0.00 55.73 54.96 3mg3 s ARG 229 Cb -0.01 -1.99 -0.11 0.00 -0.45 0.00 0.00 34.95 32.39 3mg3 s ARG 229 CO 0.18 -1.13 1.47 -2.30 -0.68 0.00 0.00 175.30 172.84 3mg3 n PRO 230 N -3.14 2.62 -3.38 3.54 -0.02 -1.26 -4.51 135.00 128.84 3mg3 n PRO 230 Ca 0.07 0.92 -0.39 0.00 -2.02 0.00 0.00 63.50 62.08 3mg3 n PRO 230 Cb 0.54 -2.64 -0.09 0.00 -0.02 0.00 0.00 33.50 31.29 3mg3 n PRO 230 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mg3 s ILE 231 N -1.12 5.17 -0.13 4.25 1.01 0.45 -4.94 121.20 125.89 3mg3 s ILE 231 Ca 0.54 0.60 -0.00 0.00 0.00 0.00 0.00 60.65 61.78 3mg3 s ILE 231 Cb -0.48 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3mg3 s ILE 231 CO 0.64 0.15 -0.12 -0.69 0.00 0.00 0.00 174.94 174.92 3mg3 s VAL 232 N 2.06 3.14 0.00 2.92 1.01 -1.26 -1.34 120.40 126.94 3mg3 s VAL 232 Ca 0.16 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3mg3 s VAL 232 Cb -0.16 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3mg3 s VAL 232 CO 0.10 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3mg3 n GLY 233 N 3.49 1.03 0.33 4.51 0.00 0.39 -4.42 105.19 110.52 3mg3 n GLY 233 Ca -0.18 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 3mg3 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg3 h LYS 234 N 0.00 1.00 0.12 1.61 1.57 -1.77 -1.34 116.57 117.76 3mg3 h LYS 234 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3mg3 h LYS 234 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3mg3 h LYS 234 CO 0.00 0.77 -0.11 1.49 -0.57 0.00 0.00 179.45 181.03 3mg3 h GLU 235 N 1.00 -0.24 -0.44 3.15 4.81 -1.90 0.24 114.58 121.20 3mg3 h GLU 235 Ca 0.25 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3mg3 h GLU 235 Cb 0.09 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3mg3 h GLU 235 CO -0.03 -0.16 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.10 3mg3 h ASN 236 N -0.25 0.74 -0.14 1.04 2.35 -1.65 -1.77 115.58 115.90 3mg3 h ASN 236 Ca 0.00 -0.21 -0.23 0.00 -0.55 0.00 0.00 56.30 55.32 3mg3 h ASN 236 Cb 0.24 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.42 3mg3 h ASN 236 CO -0.03 0.86 -0.79 0.58 -1.65 0.00 0.00 177.43 176.40 3mg3 h VAL 237 N 0.70 1.28 -0.64 2.81 2.07 -1.09 -1.34 116.25 120.04 3mg3 h VAL 237 Ca 0.13 -1.99 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 3mg3 h VAL 237 Cb 0.54 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 3mg3 h VAL 237 CO 0.03 0.63 0.18 0.25 0.02 0.00 0.00 177.57 178.68 3mg3 h LEU 238 N 0.54 0.94 -0.52 2.57 5.85 -0.83 -0.04 115.31 123.81 3mg3 h LEU 238 Ca -0.06 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.50 3mg3 h LEU 238 Cb 1.42 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3mg3 h LEU 238 CO 0.16 0.91 0.25 -0.09 -0.34 0.00 0.00 178.44 179.33 3mg3 h ARG 239 N 0.92 0.48 -0.46 1.25 2.43 -1.22 -1.11 114.38 116.67 3mg3 h ARG 239 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3mg3 h ARG 239 Cb 0.32 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3mg3 h ARG 239 CO -0.00 0.32 0.31 0.35 -1.51 0.00 0.00 179.97 179.43 3mg3 h PHE 240 N 0.49 0.58 -0.16 2.20 3.57 -0.53 -0.78 116.94 122.32 3mg3 h PHE 240 Ca 0.23 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3mg3 h PHE 240 Cb 0.16 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3mg3 h PHE 240 CO -0.11 0.37 -0.09 0.74 -2.23 0.00 0.00 178.31 176.99 3mg3 h PHE 241 N 0.63 -0.21 -0.15 0.41 0.04 -0.67 -0.86 116.94 116.11 3mg3 h PHE 241 Ca 0.17 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 3mg3 h PHE 241 Cb -0.07 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3mg3 h PHE 241 CO -0.04 -0.14 -0.32 0.00 -0.60 0.00 0.00 178.31 177.21 3mg3 h ARG 242 N -0.08 0.30 0.01 1.51 3.08 -0.88 -0.94 114.38 117.37 3mg3 h ARG 242 Ca 0.09 -0.12 -0.25 0.00 0.07 0.00 0.00 59.98 59.77 3mg3 h ARG 242 Cb 0.22 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3mg3 h ARG 242 CO -0.21 0.60 -1.35 0.93 -1.07 0.00 0.00 179.97 178.86 3mg3 h GLU 243 N 0.27 0.01 0.00 0.04 5.08 -0.94 -3.43 114.58 115.61 3mg3 h GLU 243 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3mg3 h GLU 243 Cb 0.70 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3mg3 h GLU 243 CO 0.05 0.77 -0.38 0.39 -1.00 0.00 0.00 179.01 178.84 3mg3 n GLU 244 N -3.22 3.11 -0.51 2.33 1.02 -0.35 -4.76 120.64 118.26 3mg3 n GLU 244 Ca -0.09 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.11 3mg3 n GLU 244 Cb 1.00 -0.63 0.23 0.00 -0.02 0.00 0.00 31.44 32.01 3mg3 n GLU 244 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mg3 s GLN 246 N -2.95 4.58 -1.37 0.00 -0.21 -1.25 -4.24 119.66 114.21 3mg3 s GLN 246 Ca 0.42 1.28 0.00 0.00 0.02 0.00 0.00 55.36 57.08 3mg3 s GLN 246 Cb 0.35 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 31.46 3mg3 s GLN 246 CO 0.06 0.34 0.00 0.09 -2.12 0.00 0.00 175.29 173.66 3mg3 n ASN 247 N 0.77 -4.62 -4.83 5.90 3.02 -1.26 -4.80 115.26 109.44 3mg3 n ASN 247 Ca 0.00 0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.34 3mg3 n ASN 247 Cb 0.50 -3.67 0.04 0.00 -0.61 0.00 0.00 39.78 36.03 3mg3 n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mg3 s LEU 248 N -4.07 3.18 -0.23 3.41 1.43 -1.26 -3.82 118.68 117.31 3mg3 s LEU 248 Ca 0.00 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 3mg3 s LEU 248 Cb 0.00 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.79 3mg3 s LEU 248 CO 0.00 -1.27 -0.08 -0.75 0.23 0.00 0.00 176.35 174.48 3mg3 s LYS 249 N -5.02 1.85 -0.15 1.70 2.20 -0.68 -4.66 119.74 114.98 3mg3 s LYS 249 Ca 0.57 -1.04 -0.18 0.00 -0.36 0.00 0.00 55.97 54.97 3mg3 s LYS 249 Cb -0.13 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 3mg3 s LYS 249 CO 0.54 -0.55 0.48 -0.51 -0.36 0.00 0.00 175.35 174.94 3mg3 s LEU 250 N 1.33 4.23 -0.57 5.43 1.02 -1.26 -1.06 118.68 127.80 3mg3 s LEU 250 Ca -0.06 0.75 0.06 0.00 0.02 0.00 0.00 54.13 54.91 3mg3 s LEU 250 Cb -0.19 -2.68 0.24 0.00 0.02 0.00 0.00 46.19 43.58 3mg3 s LEU 250 CO -0.06 -0.05 0.64 -0.38 0.02 0.00 0.00 176.35 176.51 3mg3 n ILE 251 N 3.95 1.28 -2.26 -0.59 5.41 0.51 -5.02 119.36 122.64 3mg3 n ILE 251 Ca -0.07 -4.77 -0.38 0.00 1.00 0.00 0.00 62.75 58.54 3mg3 n ILE 251 Cb 0.51 -2.05 -0.01 0.00 -0.71 0.00 0.00 39.64 37.38 3mg3 n ILE 251 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3mg3 s PRO 252 N -1.88 3.90 -0.11 0.38 0.04 -1.26 -1.64 135.00 134.43 3mg3 s PRO 252 Ca 0.37 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 3mg3 s PRO 252 Cb 0.13 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3mg3 s PRO 252 CO -0.07 -0.44 -0.14 0.39 0.04 0.00 0.00 177.00 176.78 3mg3 n GLU 253 N -0.19 0.23 -3.75 4.56 1.02 0.28 -4.73 120.64 118.06 3mg3 n GLU 253 Ca 0.06 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.20 3mg3 n GLU 253 Cb 0.47 -0.90 -0.05 0.00 -0.02 0.00 0.00 31.44 30.95 3mg3 n GLU 253 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3mg3 s ARG 254 N -2.20 1.26 0.35 3.49 1.70 -1.06 -1.11 118.95 121.38 3mg3 s ARG 254 Ca -0.15 -0.88 -0.11 0.00 -0.47 0.00 0.00 55.73 54.12 3mg3 s ARG 254 Cb 0.06 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 34.95 3mg3 s ARG 254 CO 0.19 -0.51 0.63 0.20 -1.08 0.00 0.00 175.30 174.73 3mg3 s GLY 255 N -2.87 0.80 -0.03 3.88 0.00 -0.52 -0.66 107.32 107.91 3mg3 s GLY 255 Ca 0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 3mg3 s GLY 255 CO -0.05 -0.60 0.12 0.54 0.00 0.00 0.00 173.10 173.11 3mg3 s VAL 256 N -2.90 0.03 -0.08 1.40 0.11 -0.26 -4.67 120.40 114.03 3mg3 s VAL 256 Ca 0.22 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 3mg3 s VAL 256 Cb -0.03 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 3mg3 s VAL 256 CO 0.14 -0.13 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.75 3mg3 s THR 257 N -0.39 1.34 0.02 5.04 2.01 -1.26 -1.34 115.64 121.05 3mg3 s THR 257 Ca -0.05 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 3mg3 s THR 257 Cb -0.03 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 3mg3 s THR 257 CO 0.00 0.40 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.71 3mg3 s GLU 258 N 0.67 0.36 0.59 4.92 2.02 0.21 -5.01 118.70 122.46 3mg3 s GLU 258 Ca -0.14 -0.66 -0.18 0.00 0.02 0.00 0.00 54.97 54.01 3mg3 s GLU 258 Cb -0.16 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 3mg3 s GLU 258 CO 0.04 -0.06 1.13 -1.25 0.02 0.00 0.00 175.26 175.13 3mg3 s PRO 259 N -1.75 3.14 0.29 0.39 0.04 -1.26 -0.03 135.00 135.81 3mg3 s PRO 259 Ca -0.13 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.47 3mg3 s PRO 259 Cb -0.08 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3mg3 s PRO 259 CO -0.02 -1.01 0.06 0.00 0.04 0.00 0.00 177.00 176.08 3mg3 n ALA 260 N -1.71 0.35 -1.28 8.56 0.00 -0.03 -4.61 120.51 121.78 3mg3 n ALA 260 Ca 0.11 -1.41 -0.33 0.00 0.00 0.00 0.00 53.44 51.82 3mg3 n ALA 260 Cb 0.51 0.89 0.09 0.00 0.00 0.00 0.00 19.45 20.94 3mg3 n ALA 260 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mg3 s GLU 261 N -3.08 2.18 -1.49 0.00 2.02 -1.26 -3.69 118.70 113.38 3mg3 s GLU 261 Ca 0.09 1.52 -0.05 0.00 0.02 0.00 0.00 54.97 56.55 3mg3 s GLU 261 Cb 0.00 -1.86 0.02 0.00 0.10 0.00 0.00 34.13 32.39 3mg3 s GLU 261 CO 0.06 -1.75 0.44 -0.25 0.02 0.00 0.00 175.26 173.78 3mg3 n ASP 262 N -3.00 -5.39 0.00 -0.19 8.00 -1.26 -1.65 116.55 113.07 3mg3 n ASP 262 Ca 0.11 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3mg3 n ASP 262 Cb 0.51 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.21 3mg3 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mg3 n GLY 263 N -1.31 0.40 3.87 0.44 0.00 -1.25 -4.79 105.19 102.56 3mg3 n GLY 263 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3mg3 n GLY 263 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mg3 s PHE 264 N -1.84 2.86 -0.01 1.61 0.40 -0.66 -3.93 117.98 116.42 3mg3 s PHE 264 Ca 0.00 0.79 0.04 0.00 -0.60 0.00 0.00 56.93 57.16 3mg3 s PHE 264 Cb 0.00 -3.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.06 3mg3 s PHE 264 CO 0.00 -1.90 -0.12 0.99 0.70 0.00 0.00 175.22 174.89 3mg3 s THR 265 N -3.50 0.95 -0.06 0.64 2.01 -0.45 -0.85 115.64 114.38 3mg3 s THR 265 Ca 0.62 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3mg3 s THR 265 Cb -0.12 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 3mg3 s THR 265 CO 0.50 0.26 -0.17 0.00 -0.69 0.00 0.00 174.62 174.52 3mg3 s GLN 266 N -0.31 2.57 -0.03 4.92 -2.07 0.96 -0.73 119.66 124.97 3mg3 s GLN 266 Ca 0.05 -0.74 0.02 0.00 -1.82 0.00 0.00 55.36 52.86 3mg3 s GLN 266 Cb -0.05 -2.35 0.01 0.00 -1.09 0.00 0.00 33.01 29.54 3mg3 s GLN 266 CO -0.00 0.54 -0.07 0.42 -1.32 0.00 0.00 175.29 174.85 3mg3 s ILE 267 N -0.52 0.67 -0.11 3.63 1.01 -0.36 -0.62 121.20 124.89 3mg3 s ILE 267 Ca 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.48 3mg3 s ILE 267 Cb -0.12 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 3mg3 s ILE 267 CO 0.01 0.23 -0.19 -0.75 0.00 0.00 0.00 174.94 174.24 3mg3 s LYS 268 N 0.45 3.18 -0.03 2.79 2.20 -0.45 -0.13 119.74 127.75 3mg3 s LYS 268 Ca -0.07 -0.79 0.06 0.00 -0.36 0.00 0.00 55.97 54.82 3mg3 s LYS 268 Cb -0.10 -2.45 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 3mg3 s LYS 268 CO 0.01 0.21 -0.22 0.08 -0.36 0.00 0.00 175.35 175.06 3mg3 s VAL 269 N 0.31 1.80 0.20 4.02 1.01 0.01 -1.10 120.40 126.65 3mg3 s VAL 269 Ca -0.14 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 60.99 3mg3 s VAL 269 Cb -0.17 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3mg3 s VAL 269 CO 0.07 0.51 -0.22 0.42 0.00 0.00 0.00 175.10 175.88 3mg3 s THR 270 N -0.38 2.26 -1.47 3.92 -4.23 0.17 -0.63 115.64 115.28 3mg3 s THR 270 Ca 0.04 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3mg3 s THR 270 Cb -0.10 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3mg3 s THR 270 CO 0.00 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3mg3 n GLY 271 N 0.12 -0.70 3.31 3.99 0.00 -0.29 -0.55 105.19 111.06 3mg3 n GLY 271 Ca -0.11 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 3mg3 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg3 s LYS 272 N -0.59 1.21 0.01 1.61 1.02 -0.65 -1.25 119.74 121.11 3mg3 s LYS 272 Ca 0.00 -1.41 0.02 0.00 0.02 0.00 0.00 55.97 54.60 3mg3 s LYS 272 Cb 0.00 -1.12 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 3mg3 s LYS 272 CO 0.00 0.21 -0.06 0.54 -0.92 0.00 0.00 175.35 175.12 3mg3 s VAL 273 N -2.39 0.44 -0.04 3.17 0.11 -0.48 -0.36 120.40 120.85 3mg3 s VAL 273 Ca 0.16 -0.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 3mg3 s VAL 273 Cb -0.04 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 3mg3 s VAL 273 CO 0.05 -0.09 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.44 3mg3 s GLN 274 N -0.71 2.37 -0.01 1.54 -0.21 -0.22 -0.84 119.66 121.57 3mg3 s GLN 274 Ca -0.03 -0.80 -0.04 0.00 0.02 0.00 0.00 55.36 54.50 3mg3 s GLN 274 Cb -0.05 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 3mg3 s GLN 274 CO 0.00 0.57 0.20 -0.08 -2.12 0.00 0.00 175.29 173.87 3mg3 s THR 275 N -0.62 5.41 -0.32 -0.19 -1.32 -1.26 -1.69 115.64 115.64 3mg3 s THR 275 Ca 0.09 -0.03 0.20 0.00 -1.21 0.00 0.00 61.69 60.74 3mg3 s THR 275 Cb -0.11 -3.53 0.20 0.00 -1.51 0.00 0.00 72.50 67.55 3mg3 s THR 275 CO 0.00 0.36 1.60 -0.81 -2.21 0.00 0.00 174.62 173.57 3mg3 n PRO 276 N 1.09 0.13 0.25 7.08 -0.04 -1.25 -0.73 135.00 141.53 3mg3 n PRO 276 Ca -0.12 0.59 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 3mg3 n PRO 276 Cb 0.53 -1.90 0.62 0.00 -0.04 0.00 0.00 33.50 32.71 3mg3 n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3mg3 h TRP 277 N 0.00 0.00 0.00 0.54 4.06 -1.93 -3.34 115.95 115.27 3mg3 h TRP 277 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3mg3 h TRP 277 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 3mg3 h TRP 277 CO 0.00 0.15 0.00 1.19 -3.56 0.00 0.00 178.44 176.22 3mg3 n PHE 278 N -3.44 0.00 -3.76 0.49 3.72 -0.55 -0.57 117.46 113.34 3mg3 n PHE 278 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3mg3 n PHE 278 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3mg3 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mg3 n GLY 279 N 0.35 2.17 0.00 1.37 0.00 0.09 -1.81 105.19 107.35 3mg3 n GLY 279 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3mg3 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mg3 n GLY 280 N 0.00 -0.94 0.18 -0.02 0.00 -1.26 -3.43 105.19 99.72 3mg3 n GLY 280 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3mg3 n GLY 280 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mg3 h ASN 281 N 0.00 0.00 -3.24 1.61 -0.26 -1.76 -3.41 115.58 108.52 3mg3 h ASN 281 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 3mg3 h ASN 281 Cb 0.00 0.00 -0.38 0.00 -1.06 0.00 0.00 38.32 36.88 3mg3 h ASN 281 CO 0.00 0.00 -0.78 -0.69 -1.06 0.00 0.00 177.43 174.90 3mg3 s VAL 282 N -3.24 0.74 -0.34 2.81 1.01 -1.22 -5.08 120.40 115.08 3mg3 s VAL 282 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3mg3 s VAL 282 Cb 0.08 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.61 3mg3 s VAL 282 CO 0.61 0.24 0.14 -0.83 0.00 0.00 0.00 175.10 175.26 3mg3 s GLY 283 N 1.81 1.87 0.25 4.51 0.00 -1.26 -4.54 107.32 109.96 3mg3 s GLY 283 Ca 0.04 -1.66 -0.28 0.00 0.00 0.00 0.00 44.72 42.82 3mg3 s GLY 283 CO -0.07 0.77 0.90 1.06 0.00 0.00 0.00 173.10 175.77 3mg3 s MET 284 N 1.49 4.71 -0.26 2.90 -1.94 -0.02 -4.74 119.30 121.44 3mg3 s MET 284 Ca 0.01 1.36 -0.24 0.00 -1.71 0.00 0.00 55.69 55.11 3mg3 s MET 284 Cb -0.19 -3.13 -0.00 0.00 2.01 0.00 0.00 34.83 33.52 3mg3 s MET 284 CO 0.04 0.46 0.81 -0.80 -0.01 0.00 0.00 175.02 175.53 3mg3 s ASN 285 N -1.31 6.77 0.01 3.03 0.01 -1.26 -1.39 114.94 120.80 3mg3 s ASN 285 Ca 0.43 0.91 0.04 0.00 -0.71 0.00 0.00 52.86 53.52 3mg3 s ASN 285 Cb -0.23 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 3mg3 s ASN 285 CO 0.28 -0.55 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.57 3mg3 s ILE 286 N 2.88 0.98 0.05 0.60 -1.09 -0.38 -0.63 121.20 123.61 3mg3 s ILE 286 Ca 0.34 -0.72 0.08 0.00 -2.23 0.00 0.00 60.65 58.12 3mg3 s ILE 286 Cb -0.15 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 39.84 3mg3 s ILE 286 CO 0.09 0.13 -0.20 0.00 -1.23 0.00 0.00 174.94 173.74 3mg3 s ALA 287 N -0.54 2.54 -0.11 9.38 0.00 -0.13 -1.14 121.76 131.76 3mg3 s ALA 287 Ca 0.03 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3mg3 s ALA 287 Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3mg3 s ALA 287 CO 0.00 0.57 -0.08 -1.58 0.00 0.00 0.00 175.76 174.67 3mg3 s TRP 288 N -0.93 2.93 -0.23 0.00 0.51 0.20 0.05 118.94 121.47 3mg3 s TRP 288 Ca 0.14 -0.24 0.02 0.00 -2.12 0.00 0.00 56.10 53.90 3mg3 s TRP 288 Cb -0.10 -1.82 0.05 0.00 -0.81 0.00 0.00 33.47 30.79 3mg3 s TRP 288 CO 0.05 0.09 -0.09 1.03 -0.51 0.00 0.00 176.95 177.51 3mg3 s ARG 289 N -0.17 2.02 -0.08 4.98 0.52 0.24 -0.81 118.95 125.65 3mg3 s ARG 289 Ca 0.02 -1.05 -0.03 0.00 -0.52 0.00 0.00 55.73 54.15 3mg3 s ARG 289 Cb -0.13 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 3mg3 s ARG 289 CO 0.03 -0.51 0.06 -0.06 0.02 0.00 0.00 175.30 174.83 3mg3 s PHE 290 N 1.29 3.32 -0.21 -0.53 0.08 0.82 -0.77 117.98 121.98 3mg3 s PHE 290 Ca -0.05 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.32 3mg3 s PHE 290 Cb -0.18 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.48 3mg3 s PHE 290 CO -0.07 0.57 -0.15 -1.17 -0.10 0.00 0.00 175.22 174.30 3mg3 s LEU 291 N -1.09 2.63 -0.08 -0.37 2.96 0.43 -1.22 118.68 121.94 3mg3 s LEU 291 Ca 0.16 -0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 53.10 3mg3 s LEU 291 Cb -0.12 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3mg3 s LEU 291 CO 0.05 -0.09 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.21 3mg3 s LEU 292 N 1.24 3.46 1.03 -0.68 1.43 0.09 -1.38 118.68 123.87 3mg3 s LEU 292 Ca -0.01 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 3mg3 s LEU 292 Cb -0.16 -1.79 0.23 0.00 0.03 0.00 0.00 46.19 44.50 3mg3 s LEU 292 CO -0.09 0.37 1.32 0.54 0.23 0.00 0.00 176.35 178.72 3mg3 s ASN 293 N -0.90 2.54 0.58 2.29 2.20 0.13 -1.34 114.94 120.43 3mg3 s ASN 293 Ca 0.13 0.21 0.34 0.00 -0.94 0.00 0.00 52.86 52.61 3mg3 s ASN 293 Cb -0.11 -0.19 1.78 0.00 -2.00 0.00 0.00 41.25 40.73 3mg3 s ASN 293 CO 0.02 -3.09 2.17 -0.65 -2.94 0.00 0.00 177.10 172.62 3mg3 h PRO 294 N -1.89 0.00 -0.03 3.55 0.11 -1.87 -0.79 132.00 131.08 3mg3 h PRO 294 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mg3 h PRO 294 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mg3 h PRO 294 CO 0.32 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 3mg3 n GLU 295 N -3.41 1.64 -0.33 1.05 4.71 -1.26 -4.92 120.64 118.12 3mg3 n GLU 295 Ca -0.02 -0.93 0.00 0.00 -0.01 0.00 0.00 57.16 56.20 3mg3 n GLU 295 Cb 0.18 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 3mg3 n GLU 295 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mg3 n GLY 296 N 1.16 0.80 3.85 0.62 0.00 -0.30 -5.06 105.19 106.24 3mg3 n GLY 296 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3mg3 n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg3 s LYS 297 N -0.67 4.03 -0.46 1.61 -0.14 -1.26 -4.76 119.74 118.09 3mg3 s LYS 297 Ca 0.00 0.69 -0.29 0.00 -1.36 0.00 0.00 55.97 55.01 3mg3 s LYS 297 Cb 0.00 -2.47 0.03 0.00 -1.68 0.00 0.00 37.83 33.70 3mg3 s LYS 297 CO 0.00 0.18 1.13 0.42 -0.76 0.00 0.00 175.35 176.32 3mg3 s ILE 298 N -1.94 4.24 0.03 2.17 1.01 0.93 -0.69 121.20 126.94 3mg3 s ILE 298 Ca 0.53 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.45 3mg3 s ILE 298 Cb -0.11 -4.59 -0.26 0.00 0.01 0.00 0.00 42.46 37.52 3mg3 s ILE 298 CO 0.18 -0.96 0.96 0.15 0.00 0.00 0.00 174.94 175.26 3mg3 h PHE 299 N 9.13 0.31 -2.33 3.97 3.57 -1.55 -1.07 116.94 128.96 3mg3 h PHE 299 Ca -0.23 -0.23 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 3mg3 h PHE 299 Cb 1.06 -0.01 -0.23 0.00 2.79 0.00 0.00 35.95 39.56 3mg3 h PHE 299 CO 0.96 1.24 -0.10 0.12 -2.23 0.00 0.00 178.31 178.31 3mg3 s PHE 300 N -2.64 -0.76 -0.06 0.41 5.36 -1.07 -1.38 117.98 117.84 3mg3 s PHE 300 Ca -0.06 1.65 0.01 0.00 -0.96 0.00 0.00 56.93 57.57 3mg3 s PHE 300 Cb 0.08 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.14 3mg3 s PHE 300 CO 0.85 -0.38 -0.05 0.54 -1.46 0.00 0.00 175.22 174.71 3mg3 s VAL 301 N 1.03 0.63 -0.03 3.12 0.11 -0.34 -0.43 120.40 124.48 3mg3 s VAL 301 Ca -0.06 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.84 3mg3 s VAL 301 Cb -0.06 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3mg3 s VAL 301 CO -0.09 0.26 0.07 0.00 -3.33 0.00 0.00 175.10 172.01 3mg3 s ALA 302 N 1.17 3.54 -0.17 1.54 0.00 0.05 -0.43 121.76 127.46 3mg3 s ALA 302 Ca -0.07 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3mg3 s ALA 302 Cb -0.14 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.40 3mg3 s ALA 302 CO -0.01 0.66 -0.19 0.42 0.00 0.00 0.00 175.76 176.63 3mg3 s ILE 303 N -1.11 2.17 -0.03 0.00 1.09 0.30 -0.59 121.20 123.04 3mg3 s ILE 303 Ca 0.20 -0.91 0.08 0.00 -1.10 0.00 0.00 60.65 58.91 3mg3 s ILE 303 Cb -0.12 -1.91 -0.02 0.00 -1.06 0.00 0.00 42.46 39.36 3mg3 s ILE 303 CO 0.10 0.53 -0.26 -1.81 -0.10 0.00 0.00 174.94 173.41 3mg3 s ASP 304 N 1.16 3.06 -0.10 3.58 1.01 0.11 -2.09 116.67 123.40 3mg3 s ASP 304 Ca 0.02 -0.47 -0.23 0.00 0.71 0.00 0.00 52.55 52.57 3mg3 s ASP 304 Cb -0.14 -0.42 -0.03 0.00 1.01 0.00 0.00 42.92 43.34 3mg3 s ASP 304 CO -0.09 0.31 0.71 -0.22 0.21 0.00 0.00 175.17 176.09 3mg3 s LEU 305 N -0.54 4.27 0.27 1.23 2.96 -1.26 -0.95 118.68 124.65 3mg3 s LEU 305 Ca 0.08 1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 55.03 3mg3 s LEU 305 Cb -0.11 -3.08 -0.07 0.00 0.50 0.00 0.00 46.19 43.44 3mg3 s LEU 305 CO -0.00 -0.18 0.59 -0.76 -1.32 0.00 0.00 176.35 174.68 3mg3 s LEU 306 N 1.15 4.10 0.42 -0.68 1.43 0.20 -0.64 118.68 124.67 3mg3 s LEU 306 Ca 0.36 0.94 0.08 0.00 -1.03 0.00 0.00 54.13 54.48 3mg3 s LEU 306 Cb -0.17 -3.72 0.89 0.00 0.03 0.00 0.00 46.19 43.21 3mg3 s LEU 306 CO 0.16 -0.14 2.05 0.00 0.23 0.00 0.00 176.35 178.65 3mg3 h ALA 307 N 2.22 1.70 -2.43 4.21 0.00 -1.02 -3.39 119.26 120.56 3mg3 h ALA 307 Ca -0.47 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.55 3mg3 h ALA 307 Cb 1.18 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3mg3 h ALA 307 CO 0.68 0.25 0.47 -1.54 0.00 0.00 0.00 179.25 179.11 3mg3 s SER 308 N -6.76 -0.15 0.45 0.00 1.04 -1.26 -4.87 113.70 102.14 3mg3 s SER 308 Ca -0.08 -0.48 0.30 0.00 0.48 0.00 0.00 55.95 56.17 3mg3 s SER 308 Cb 0.17 0.52 1.63 0.00 0.10 0.00 0.00 66.02 68.44 3mg3 s SER 308 CO 0.73 -0.98 1.93 -0.65 0.98 0.00 0.00 173.24 175.25 3mg3 h PRO 309 N 2.00 0.00 0.00 4.02 0.11 -1.98 -0.84 132.00 135.31 3mg3 h PRO 309 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 3mg3 h PRO 309 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mg3 h PRO 309 CO 0.27 0.00 -0.08 0.87 -0.21 0.00 0.00 178.00 178.85 3mg3 h LYS 310 N 0.00 0.00 0.00 1.05 1.57 -1.98 -3.53 116.57 113.68 3mg3 h LYS 310 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mg3 h LYS 310 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3mg3 h LYS 310 CO 0.00 0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.35