#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg3 s LYS 2 N 0.00 4.11 0.28 2.12 2.20 -0.75 -4.81 119.74 122.89 1sg3 s LYS 2 Ca 0.00 0.63 0.07 0.00 -0.36 0.00 0.00 55.97 56.31 1sg3 s LYS 2 Cb 0.00 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 1sg3 s LYS 2 CO 0.00 0.64 0.31 -0.06 -0.36 0.00 0.00 175.35 175.89 1sg3 s PHE 3 N -1.13 3.15 0.04 4.03 0.40 -1.26 -1.60 117.98 121.62 1sg3 s PHE 3 Ca 0.28 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.49 1sg3 s PHE 3 Cb -0.18 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1sg3 s PHE 3 CO 0.18 0.32 -0.09 -0.06 0.70 0.00 0.00 175.22 176.26 1sg3 s PHE 4 N -2.14 0.79 0.20 0.36 0.40 -0.34 -4.99 117.98 112.26 1sg3 s PHE 4 Ca 0.37 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1sg3 s PHE 4 Cb -0.08 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 1sg3 s PHE 4 CO 0.28 -0.05 0.19 -1.54 0.70 0.00 0.00 175.22 174.80 1sg3 s SER 5 N -1.49 5.67 0.55 1.36 1.04 -1.26 -3.88 113.70 115.69 1sg3 s SER 5 Ca -0.07 -0.13 0.36 0.00 0.48 0.00 0.00 55.95 56.59 1sg3 s SER 5 Cb -0.09 -1.51 1.54 0.00 0.10 0.00 0.00 66.02 66.06 1sg3 s SER 5 CO 0.01 0.01 1.80 -0.07 0.98 0.00 0.00 173.24 175.97 1sg3 h LEU 6 N 1.91 0.00 -1.44 2.42 3.38 -2.00 0.71 115.31 120.30 1sg3 h LEU 6 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1sg3 h LEU 6 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1sg3 h LEU 6 CO 0.62 0.00 0.30 0.00 0.09 0.00 0.00 178.44 179.45 1sg3 h ALA 7 N 1.40 1.58 -0.29 1.53 0.00 -2.03 -2.94 119.26 118.51 1sg3 h ALA 7 Ca 0.55 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 1sg3 h ALA 7 Cb 2.24 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.75 1sg3 h ALA 7 CO -0.01 0.37 -0.10 -0.25 0.00 0.00 0.00 179.25 179.26 1sg3 n ASP 8 N -4.43 2.61 -0.07 0.00 8.00 0.25 -4.67 116.55 118.24 1sg3 n ASP 8 Ca 0.04 -3.63 0.12 0.00 0.71 0.00 0.00 54.79 52.03 1sg3 n ASP 8 Cb 0.08 -0.60 0.51 0.00 -0.02 0.00 0.00 41.12 41.09 1sg3 n ASP 8 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1sg3 h GLU 9 N 1.06 0.37 -0.48 -1.24 4.81 -1.28 -0.39 114.58 117.44 1sg3 h GLU 9 Ca 0.16 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1sg3 h GLU 9 Cb 1.53 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.77 1sg3 h GLU 9 CO 0.31 0.24 0.16 0.00 -0.73 0.00 0.00 179.01 178.99 1sg3 h ALA 10 N 1.71 0.57 -0.48 2.92 0.00 -1.84 0.98 119.26 123.12 1sg3 h ALA 10 Ca 0.27 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1sg3 h ALA 10 Cb 0.55 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sg3 h ALA 10 CO -0.07 -0.24 -0.17 1.49 0.00 0.00 0.00 179.25 180.26 1sg3 h GLU 11 N 0.32 0.96 -0.42 0.00 4.81 -1.47 -2.61 114.58 116.17 1sg3 h GLU 11 Ca 0.23 -0.39 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1sg3 h GLU 11 Cb 0.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1sg3 h GLU 11 CO -0.25 1.06 0.23 0.35 -0.73 0.00 0.00 179.01 179.67 1sg3 h PHE 12 N 0.81 0.42 0.00 0.92 3.57 -0.56 -0.69 116.94 121.40 1sg3 h PHE 12 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1sg3 h PHE 12 Cb 0.74 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 1sg3 h PHE 12 CO 0.05 0.23 -0.12 0.87 -2.23 0.00 0.00 178.31 177.11 1sg3 h LYS 13 N 0.46 0.00 -0.21 1.11 1.57 -0.75 -1.30 116.57 117.45 1sg3 h LYS 13 Ca 0.18 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1sg3 h LYS 13 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1sg3 h LYS 13 CO -0.11 0.12 -0.36 0.77 -0.57 0.00 0.00 179.45 179.31 1sg3 h SER 14 N 0.00 0.68 -0.52 0.86 0.02 -0.79 0.59 113.55 114.38 1sg3 h SER 14 Ca -0.00 -0.53 -0.10 0.00 -0.84 0.00 0.00 61.79 60.32 1sg3 h SER 14 Cb 0.23 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1sg3 h SER 14 CO 0.02 1.08 -0.04 0.40 -1.14 0.00 0.00 176.83 177.15 1sg3 h ILE 15 N 0.29 1.26 0.04 3.27 1.08 -0.72 -0.35 117.51 122.39 1sg3 h ILE 15 Ca 0.01 -1.16 -0.00 0.00 -0.39 0.00 0.00 64.86 63.32 1sg3 h ILE 15 Cb 0.95 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1sg3 h ILE 15 CO 0.08 0.41 -0.02 0.40 -0.69 0.00 0.00 178.15 178.34 1sg3 h ILE 16 N 0.89 0.21 0.02 -0.67 1.08 -1.19 -3.09 117.51 114.76 1sg3 h ILE 16 Ca 0.16 -1.11 -0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1sg3 h ILE 16 Cb 0.57 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1sg3 h ILE 16 CO 0.03 0.07 -0.01 0.40 -0.69 0.00 0.00 178.15 177.95 1sg3 h ILE 17 N -1.01 0.00 -0.05 -0.67 2.04 0.05 -2.77 117.51 115.10 1sg3 h ILE 17 Ca -0.01 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1sg3 h ILE 17 Cb 0.15 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1sg3 h ILE 17 CO 0.01 0.00 0.03 0.77 0.00 0.00 0.00 178.15 178.96 1sg3 h SER 18 N -0.31 0.07 0.71 1.72 4.64 -1.57 0.22 113.55 119.02 1sg3 h SER 18 Ca -0.00 -0.08 -0.19 0.00 -0.47 0.00 0.00 61.79 61.05 1sg3 h SER 18 Cb 0.02 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1sg3 h SER 18 CO 0.00 0.13 -0.89 0.11 -0.87 0.00 0.00 176.83 175.31 1sg3 h LYS 19 N 0.01 0.11 -0.11 4.77 1.79 -1.21 -3.36 116.57 118.56 1sg3 h LYS 19 Ca 0.02 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1sg3 h LYS 19 Cb 0.07 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1sg3 h LYS 19 CO -0.00 0.93 0.00 0.09 -1.08 0.00 0.00 179.45 179.38 1sg3 n ASN 20 N -3.59 2.15 -4.08 0.86 3.02 -1.17 -5.02 115.26 107.44 1sg3 n ASN 20 Ca -0.02 -1.80 -0.36 0.00 -0.03 0.00 0.00 54.58 52.36 1sg3 n ASN 20 Cb 0.83 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.89 1sg3 n ASN 20 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sg3 n LYS 21 N 0.02 -0.57 -4.09 3.52 4.76 0.77 -4.59 118.16 117.98 1sg3 n LYS 21 Ca 0.04 0.02 -0.23 0.00 -2.87 0.00 0.00 58.31 55.28 1sg3 n LYS 21 Cb 0.27 -2.51 -0.06 0.00 -1.84 0.00 0.00 35.03 30.89 1sg3 n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sg3 s ALA 22 N -3.93 3.51 0.11 7.82 0.00 -1.05 -4.48 121.76 123.74 1sg3 s ALA 22 Ca 0.25 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 1sg3 s ALA 22 Cb -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1sg3 s ALA 22 CO 0.87 0.03 0.07 0.08 0.00 0.00 0.00 175.76 176.81 1sg3 s VAL 23 N -2.43 0.13 -1.16 0.00 1.01 0.31 -4.62 120.40 113.65 1sg3 s VAL 23 Ca 0.38 -1.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.38 1sg3 s VAL 23 Cb -0.02 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1sg3 s VAL 23 CO 0.23 -0.60 1.79 -0.62 0.00 0.00 0.00 175.10 175.89 1sg3 s ASP 24 N -2.99 5.93 0.00 3.32 2.15 -1.26 0.17 116.67 123.99 1sg3 s ASP 24 Ca 0.17 -1.77 0.12 0.00 0.43 0.00 0.00 52.55 51.51 1sg3 s ASP 24 Cb 0.07 -2.58 0.68 0.00 -0.30 0.00 0.00 42.92 40.79 1sg3 s ASP 24 CO -0.03 -2.10 1.18 1.33 -0.17 0.00 0.00 175.17 175.39 1sg3 n VAL 25 N 7.17 0.19 0.36 1.11 0.24 -0.74 -2.20 118.33 124.45 1sg3 n VAL 25 Ca 0.44 0.05 0.04 0.00 -2.04 0.00 0.00 64.34 62.83 1sg3 n VAL 25 Cb 0.47 -0.86 0.04 0.00 -1.47 0.00 0.00 33.84 32.02 1sg3 n VAL 25 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1sg3 n ILE 26 N -1.08 0.02 -1.79 1.34 -5.35 -1.26 -2.13 119.36 109.12 1sg3 n ILE 26 Ca 0.08 -0.51 -0.41 0.00 -0.27 0.00 0.00 62.75 61.64 1sg3 n ILE 26 Cb 0.05 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 1sg3 n ILE 26 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1sg3 s GLY 27 N -0.75 2.94 0.31 3.28 0.00 -0.93 -3.92 107.32 108.24 1sg3 s GLY 27 Ca 0.11 1.55 0.02 0.00 0.00 0.00 0.00 44.72 46.40 1sg3 s GLY 27 CO 0.11 2.22 1.83 1.48 0.00 0.00 0.00 173.10 178.74 1sg3 h SER 28 N 2.78 0.59 -0.56 1.64 4.64 -1.40 0.24 113.55 121.48 1sg3 h SER 28 Ca -0.51 -0.13 0.16 0.00 -0.47 0.00 0.00 61.79 60.85 1sg3 h SER 28 Cb 1.25 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1sg3 h SER 28 CO 0.63 0.67 0.50 0.07 -0.87 0.00 0.00 176.83 177.83 1sg3 h LYS 29 N 0.59 0.00 -0.01 4.77 2.10 -1.90 -0.12 116.57 122.01 1sg3 h LYS 29 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1sg3 h LYS 29 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1sg3 h LYS 29 CO 0.01 0.00 -0.31 -0.11 -2.00 0.00 0.00 179.45 177.05 1sg3 n LEU 30 N -3.95 1.31 0.00 7.07 0.00 -0.99 -4.75 117.00 115.69 1sg3 n LEU 30 Ca 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 56.01 55.38 1sg3 n LEU 30 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.14 1sg3 n LEU 30 CO 0.32 0.26 0.00 0.61 0.00 0.00 0.00 177.39 178.58 1sg3 n GLY 31 N 1.05 0.79 3.70 -3.96 0.00 -0.06 -4.54 105.19 102.17 1sg3 n GLY 31 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1sg3 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sg3 n GLY 32 N 0.00 0.69 3.13 -0.02 0.00 0.80 -4.06 105.19 105.74 1sg3 n GLY 32 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1sg3 n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sg3 s GLN 33 N -1.55 0.73 -0.31 1.61 -0.21 -0.38 -4.26 119.66 115.29 1sg3 s GLN 33 Ca 0.58 -1.01 -0.19 0.00 0.02 0.00 0.00 55.36 54.76 1sg3 s GLN 33 Cb -0.58 -0.44 -0.01 0.00 1.00 0.00 0.00 33.01 32.98 1sg3 s GLN 33 CO 0.59 0.07 0.56 0.08 -2.12 0.00 0.00 175.29 174.48 1sg3 s VAL 34 N -2.06 4.99 -0.09 1.09 1.01 -1.26 -0.39 120.40 123.68 1sg3 s VAL 34 Ca -0.00 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 1sg3 s VAL 34 Cb -0.05 -3.95 -0.28 0.00 0.00 0.00 0.00 36.38 32.10 1sg3 s VAL 34 CO -0.00 -0.12 0.66 0.58 0.00 0.00 0.00 175.10 176.22 1sg3 h VAL 35 N 5.54 1.19 -2.49 2.92 2.07 -0.73 -3.48 116.25 121.26 1sg3 h VAL 35 Ca -0.28 -2.44 0.02 0.00 0.82 0.00 0.00 66.70 64.83 1sg3 h VAL 35 Cb 1.13 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1sg3 h VAL 35 CO 0.77 0.70 0.25 -0.24 0.02 0.00 0.00 177.57 179.06 1sg3 n SER 36 N -4.01 -1.36 -3.61 0.57 2.88 -1.18 -5.00 113.62 101.92 1sg3 n SER 36 Ca -0.21 -1.88 -0.02 0.00 -1.33 0.00 0.00 58.87 55.42 1sg3 n SER 36 Cb 0.87 2.25 -0.01 0.00 -0.75 0.00 0.00 64.21 66.57 1sg3 n SER 36 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1sg3 s PHE 37 N -4.23 -0.10 -0.03 0.66 -0.12 -1.26 -1.72 117.98 111.17 1sg3 s PHE 37 Ca 0.12 0.03 -0.15 0.00 -0.05 0.00 0.00 56.93 56.88 1sg3 s PHE 37 Cb -0.03 0.53 -0.32 0.00 -0.63 0.00 0.00 43.02 42.57 1sg3 s PHE 37 CO 0.06 -0.24 0.78 0.66 -0.05 0.00 0.00 175.22 176.43 1sg3 h SER 38 N 2.00 0.63 -5.08 1.98 4.64 -1.65 -3.49 113.55 112.58 1sg3 h SER 38 Ca -0.16 -0.92 -0.05 0.00 -0.47 0.00 0.00 61.79 60.18 1sg3 h SER 38 Cb 1.18 -0.21 -0.13 0.00 -0.31 0.00 0.00 62.40 62.93 1sg3 h SER 38 CO 0.25 1.69 -0.09 -0.62 -0.87 0.00 0.00 176.83 177.19 1sg3 s ASP 39 N -7.30 -0.21 0.00 4.97 2.15 -1.26 -5.02 116.67 109.99 1sg3 s ASP 39 Ca -0.14 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 52.51 1sg3 s ASP 39 Cb 0.04 0.47 0.03 0.00 -0.30 0.00 0.00 42.92 43.16 1sg3 s ASP 39 CO 0.87 -0.85 0.76 1.21 -0.17 0.00 0.00 175.17 176.98 1sg3 n GLU 40 N -0.22 0.00 -0.28 4.34 2.13 -1.26 -4.81 120.64 120.54 1sg3 n GLU 40 Ca -0.16 -0.57 -0.12 0.00 0.66 0.00 0.00 57.16 56.97 1sg3 n GLU 40 Cb 0.64 -0.04 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 1sg3 n GLU 40 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1sg3 h TRP 41 N 0.08 -1.77 0.00 4.31 2.91 -1.90 -3.16 115.95 116.42 1sg3 h TRP 41 Ca -0.11 0.11 -0.21 0.00 1.13 0.00 0.00 58.89 59.80 1sg3 h TRP 41 Cb 1.24 0.86 -0.03 0.00 -0.51 0.00 0.00 29.16 30.72 1sg3 h TRP 41 CO -0.14 -0.42 -1.32 0.74 -1.03 0.00 0.00 178.44 176.27 1sg3 h PHE 42 N -0.19 0.00 -2.36 2.65 -1.00 -1.58 -3.47 116.94 110.99 1sg3 h PHE 42 Ca 0.12 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.83 1sg3 h PHE 42 Cb 0.49 0.00 -0.23 0.00 3.61 0.00 0.00 35.95 39.82 1sg3 h PHE 42 CO -0.88 0.78 -0.11 0.00 -1.61 0.00 0.00 178.31 176.49 1sg3 s ALA 43 N -2.78 -1.41 0.39 2.45 0.00 -1.01 -4.59 121.76 114.80 1sg3 s ALA 43 Ca -0.02 1.78 -0.27 0.00 0.00 0.00 0.00 51.96 53.45 1sg3 s ALA 43 Cb 0.09 -1.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.05 1sg3 s ALA 43 CO 0.81 -0.29 1.42 0.43 0.00 0.00 0.00 175.76 178.13 1sg3 n SER 44 N 3.59 3.41 0.27 0.00 7.64 -1.23 -2.59 113.62 124.70 1sg3 n SER 44 Ca -0.18 1.20 0.13 0.00 1.01 0.00 0.00 58.87 61.03 1sg3 n SER 44 Cb 0.57 -1.58 0.76 0.00 -1.01 0.00 0.00 64.21 62.95 1sg3 n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sg3 h ALA 45 N 2.69 1.32 0.00 -0.43 0.00 -1.89 -2.37 119.26 118.57 1sg3 h ALA 45 Ca -0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1sg3 h ALA 45 Cb 1.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sg3 h ALA 45 CO 0.63 0.12 -0.11 0.93 0.00 0.00 0.00 179.25 180.82 1sg3 h GLU 46 N 0.00 0.00 -0.15 0.00 5.08 -1.91 -2.40 114.58 115.20 1sg3 h GLU 46 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1sg3 h GLU 46 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sg3 h GLU 46 CO 0.01 0.11 0.11 -0.91 -1.00 0.00 0.00 179.01 177.33 1sg3 h ASN 47 N 0.00 0.03 -0.98 1.42 2.35 -1.69 -3.02 115.58 113.69 1sg3 h ASN 47 Ca -0.00 -0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.93 1sg3 h ASN 47 Cb 0.22 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.48 1sg3 h ASN 47 CO 0.01 0.02 0.61 -0.07 -1.65 0.00 0.00 177.43 176.36 1sg3 h LEU 48 N 0.04 0.72 -3.34 1.61 3.38 -1.59 -3.05 115.31 113.08 1sg3 h LEU 48 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sg3 h LEU 48 Cb 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sg3 h LEU 48 CO -0.00 0.29 0.00 2.30 0.09 0.00 0.00 178.44 181.11 1sg3 n ILE 49 N -4.68 2.33 -2.69 1.22 -5.35 -1.14 -0.66 119.36 108.39 1sg3 n ILE 49 Ca 0.22 -1.58 -0.37 0.00 -0.27 0.00 0.00 62.75 60.75 1sg3 n ILE 49 Cb 0.57 -0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.24 1sg3 n ILE 49 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1sg3 s GLN 50 N -2.58 4.43 0.37 6.28 -1.52 -1.16 -1.37 119.66 124.11 1sg3 s GLN 50 Ca 0.47 1.40 0.06 0.00 -1.95 0.00 0.00 55.36 55.34 1sg3 s GLN 50 Cb 0.35 -2.69 0.72 0.00 -0.22 0.00 0.00 33.01 31.17 1sg3 s GLN 50 CO 0.14 0.12 1.93 -1.00 -0.25 0.00 0.00 175.29 176.23 1sg3 h PRO 51 N 2.90 0.44 -7.30 2.91 0.13 -1.95 -3.45 132.00 125.69 1sg3 h PRO 51 Ca -0.47 -0.08 -0.51 0.00 -0.87 0.00 0.00 66.00 64.07 1sg3 h PRO 51 Cb 1.20 -0.07 0.10 0.00 0.13 0.00 0.00 31.00 32.36 1sg3 h PRO 51 CO 0.64 0.45 0.35 0.95 -0.23 0.00 0.00 178.00 180.17 1sg3 s THR 52 N -5.03 3.70 0.52 1.56 -4.23 -1.26 -5.03 115.64 105.87 1sg3 s THR 52 Ca -0.07 0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 60.90 1sg3 s THR 52 Cb 0.16 -3.21 -0.07 0.00 1.34 0.00 0.00 72.50 70.72 1sg3 s THR 52 CO 0.75 -0.66 0.96 0.00 -0.54 0.00 0.00 174.62 175.13 1sg3 s ALA 53 N -2.85 3.11 0.18 3.99 0.00 -1.26 -4.99 121.76 119.94 1sg3 s ALA 53 Ca 0.61 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 52.33 1sg3 s ALA 53 Cb -0.16 -3.05 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 1sg3 s ALA 53 CO 0.51 -0.29 1.74 -2.14 0.00 0.00 0.00 175.76 175.58 1sg3 s PRO 54 N -4.25 4.14 0.30 0.00 0.02 -1.26 -5.03 135.00 128.91 1sg3 s PRO 54 Ca 0.57 2.58 0.07 0.00 0.02 0.00 0.00 61.00 64.24 1sg3 s PRO 54 Cb -0.10 -3.24 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 1sg3 s PRO 54 CO 0.35 -0.77 0.29 0.42 -0.33 0.00 0.00 177.00 176.97 1sg3 s ILE 55 N 1.65 4.12 0.42 2.83 1.09 -1.26 -5.04 121.20 125.01 1sg3 s ILE 55 Ca 0.76 -1.29 0.07 0.00 -1.10 0.00 0.00 60.65 59.09 1sg3 s ILE 55 Cb -0.48 -3.37 -0.06 0.00 -1.06 0.00 0.00 42.46 37.50 1sg3 s ILE 55 CO 0.33 -0.25 0.12 -0.60 -0.10 0.00 0.00 174.94 174.44 1sg3 s ARG 56 N -3.97 2.13 -0.15 2.79 3.52 -1.26 -4.27 118.95 117.74 1sg3 s ARG 56 Ca 0.38 -1.98 -0.01 0.00 -0.13 0.00 0.00 55.73 53.99 1sg3 s ARG 56 Cb -0.07 -1.84 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1sg3 s ARG 56 CO 0.27 -0.13 0.02 -3.47 -0.81 0.00 0.00 175.30 171.18 1sg3 n ASP 57 N -1.17 -4.85 -1.57 -2.12 -0.08 -1.26 -5.07 116.55 100.44 1sg3 n ASP 57 Ca -0.04 0.65 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 1sg3 n ASP 57 Cb 0.66 -3.05 0.00 0.00 2.34 0.00 0.00 41.12 41.06 1sg3 n ASP 57 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1sg3 n TRP 67 N 0.27 -3.65 -4.50 -0.67 -0.00 -1.26 -5.10 117.44 102.53 1sg3 n TRP 67 Ca 0.00 1.94 -0.23 0.00 -0.00 0.00 0.00 57.50 59.21 1sg3 n TRP 67 Cb 0.02 -2.97 -0.14 0.00 -0.00 0.00 0.00 31.31 28.22 1sg3 n TRP 67 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1sg3 s TYR 68 N -3.41 1.61 -1.19 5.87 1.51 -1.26 -5.06 117.35 115.42 1sg3 s TYR 68 Ca 0.00 -0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 55.54 1sg3 s TYR 68 Cb 0.00 -0.95 0.16 0.00 -0.11 0.00 0.00 41.96 41.06 1sg3 s TYR 68 CO 0.00 0.09 1.42 0.34 -1.11 0.00 0.00 175.55 176.29 1sg3 s ASP 69 N -1.26 7.03 0.00 2.29 2.15 -1.26 -4.85 116.67 120.76 1sg3 s ASP 69 Ca 0.05 -2.90 0.00 0.00 0.43 0.00 0.00 52.55 50.14 1sg3 s ASP 69 Cb -0.09 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1sg3 s ASP 69 CO 0.02 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 174.84 1sg3 n GLY 70 N 4.27 -0.76 3.24 2.66 0.00 -1.26 -4.59 105.19 108.75 1sg3 n GLY 70 Ca 0.36 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1sg3 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sg3 s TRP 71 N -3.00 3.15 -0.07 1.61 -0.00 0.14 -3.57 118.94 117.20 1sg3 s TRP 71 Ca 0.00 -1.45 0.02 0.00 -0.00 0.00 0.00 56.10 54.67 1sg3 s TRP 71 Cb 0.00 -2.15 0.02 0.00 -0.00 0.00 0.00 33.47 31.34 1sg3 s TRP 71 CO 0.00 -0.70 -0.10 -2.00 -0.00 0.00 0.00 176.95 174.14 1sg3 s GLU 72 N 1.37 1.54 0.37 5.86 2.12 -1.07 -1.10 118.70 127.79 1sg3 s GLU 72 Ca -0.01 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.06 1sg3 s GLU 72 Cb -0.18 -1.34 -0.01 0.00 0.26 0.00 0.00 34.13 32.86 1sg3 s GLU 72 CO -0.01 -0.03 0.43 0.95 -0.54 0.00 0.00 175.26 176.06 1sg3 s THR 73 N 0.85 3.44 1.31 -1.70 -4.23 -0.73 -1.60 115.64 112.98 1sg3 s THR 73 Ca -0.11 -1.16 -0.17 0.00 -1.18 0.00 0.00 61.69 59.07 1sg3 s THR 73 Cb -0.15 -3.19 0.34 0.00 1.34 0.00 0.00 72.50 70.84 1sg3 s THR 73 CO 0.02 -0.10 0.97 0.00 -0.54 0.00 0.00 174.62 174.96 1sg3 s ARG 74 N -4.16 -2.04 0.33 3.99 1.04 -1.26 -4.52 118.95 112.34 1sg3 s ARG 74 Ca 0.47 0.57 -0.03 0.00 -1.04 0.00 0.00 55.73 55.70 1sg3 s ARG 74 Cb -0.08 -1.44 -0.04 0.00 -2.04 0.00 0.00 34.95 31.35 1sg3 s ARG 74 CO 0.30 -4.40 0.58 1.03 -0.04 0.00 0.00 175.30 172.77 1sg3 s ARG 75 N -4.63 3.57 -1.14 3.89 0.52 -1.26 -4.62 118.95 115.28 1sg3 s ARG 75 Ca 0.69 -0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.75 1sg3 s ARG 75 Cb -0.21 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 1sg3 s ARG 75 CO 0.63 0.14 0.90 0.72 0.02 0.00 0.00 175.30 177.71 1sg3 n HIS 76 N -1.39 -2.25 -1.84 -0.53 8.25 -1.26 -4.92 115.22 111.28 1sg3 n HIS 76 Ca -0.02 0.83 -0.41 0.00 -0.26 0.00 0.00 57.72 57.85 1sg3 n HIS 76 Cb 0.55 -4.36 -0.02 0.00 1.12 0.00 0.00 29.99 27.28 1sg3 n HIS 76 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1sg3 s ASN 77 N -3.81 6.45 0.23 0.41 3.04 -1.26 -4.89 114.94 115.10 1sg3 s ASN 77 Ca 0.27 2.87 0.23 0.00 0.04 0.00 0.00 52.86 56.26 1sg3 s ASN 77 Cb -0.05 -2.63 0.16 0.00 -1.54 0.00 0.00 41.25 37.19 1sg3 s ASN 77 CO 0.76 -0.86 1.23 -0.33 -3.04 0.00 0.00 177.10 174.86 1sg3 h GLU 78 N 4.97 0.00 -7.19 0.43 5.08 -1.93 -3.46 114.58 112.48 1sg3 h GLU 78 Ca -0.47 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.41 1sg3 h GLU 78 Cb 1.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.49 1sg3 h GLU 78 CO 0.79 0.00 0.36 -1.64 -1.00 0.00 0.00 179.01 177.52 1sg3 s MET 79 N -3.29 3.86 0.62 2.33 -1.94 -1.26 -4.93 119.30 114.69 1sg3 s MET 79 Ca 0.03 0.86 0.32 0.00 -1.71 0.00 0.00 55.69 55.18 1sg3 s MET 79 Cb 0.10 -2.15 1.78 0.00 2.01 0.00 0.00 34.83 36.56 1sg3 s MET 79 CO 0.75 -0.31 2.10 1.05 -0.01 0.00 0.00 175.02 178.60 1sg3 h GLU 80 N 0.70 0.00 -2.23 2.03 4.11 -1.93 -3.45 114.58 113.81 1sg3 h GLU 80 Ca -0.46 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.10 1sg3 h GLU 80 Cb 1.19 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1sg3 h GLU 80 CO 0.62 0.00 0.51 1.52 0.07 0.00 0.00 179.01 181.73 1sg3 s TYR 81 N -4.44 -0.29 0.37 2.06 -0.85 -1.26 -4.53 117.35 108.41 1sg3 s TYR 81 Ca -0.04 0.14 0.07 0.00 -0.52 0.00 0.00 57.07 56.71 1sg3 s TYR 81 Cb 0.13 0.55 -0.00 0.00 0.38 0.00 0.00 41.96 43.03 1sg3 s TYR 81 CO 0.47 -0.57 0.52 -0.51 -1.52 0.00 0.00 175.55 173.94 1sg3 s ASP 82 N -2.55 5.84 0.25 -0.18 1.01 0.40 -4.91 116.67 116.53 1sg3 s ASP 82 Ca 0.07 -0.27 -0.22 0.00 0.71 0.00 0.00 52.55 52.84 1sg3 s ASP 82 Cb -0.01 -1.00 0.03 0.00 1.01 0.00 0.00 42.92 42.95 1sg3 s ASP 82 CO -0.07 -0.58 0.76 -1.66 0.21 0.00 0.00 175.17 173.83 1sg3 s TRP 83 N -2.26 -0.19 -0.11 4.23 1.48 -1.26 -0.93 118.94 119.90 1sg3 s TRP 83 Ca 0.49 -0.24 -0.18 0.00 -1.06 0.00 0.00 56.10 55.12 1sg3 s TRP 83 Cb -0.10 0.69 0.04 0.00 -1.16 0.00 0.00 33.47 32.95 1sg3 s TRP 83 CO 0.32 -1.16 0.44 0.54 -4.06 0.00 0.00 176.95 173.03 1sg3 s VAL 84 N -3.81 0.02 -0.20 -0.66 0.11 -0.67 -1.48 120.40 113.71 1sg3 s VAL 84 Ca 0.11 -0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1sg3 s VAL 84 Cb -0.05 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1sg3 s VAL 84 CO 0.06 -0.08 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.06 1sg3 s ILE 85 N -0.45 3.42 -0.05 7.04 1.01 -0.70 -1.89 121.20 129.59 1sg3 s ILE 85 Ca -0.06 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1sg3 s ILE 85 Cb -0.03 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1sg3 s ILE 85 CO 0.03 0.44 -0.24 -0.63 0.00 0.00 0.00 174.94 174.54 1sg3 s ILE 86 N 1.20 1.98 -0.21 2.92 1.01 -0.26 0.06 121.20 127.91 1sg3 s ILE 86 Ca 0.02 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1sg3 s ILE 86 Cb -0.14 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1sg3 s ILE 86 CO -0.01 0.55 0.12 -0.75 0.00 0.00 0.00 174.94 174.85 1sg3 s LYS 87 N -0.26 4.10 0.68 2.79 2.20 0.47 -1.22 119.74 128.50 1sg3 s LYS 87 Ca 0.00 -0.26 -0.17 0.00 -0.36 0.00 0.00 55.97 55.18 1sg3 s LYS 87 Cb -0.12 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1sg3 s LYS 87 CO 0.02 0.23 1.26 -1.64 -0.36 0.00 0.00 175.35 174.86 1sg3 s MET 88 N 0.55 2.38 0.16 4.03 -1.94 -0.80 -1.25 119.30 122.42 1sg3 s MET 88 Ca 0.07 1.94 -0.00 0.00 -1.71 0.00 0.00 55.69 55.98 1sg3 s MET 88 Cb -0.12 -1.84 -0.00 0.00 2.01 0.00 0.00 34.83 34.88 1sg3 s MET 88 CO 0.00 -1.70 1.38 0.78 -0.01 0.00 0.00 175.02 175.47 1sg3 h GLY 89 N 0.20 0.35 -0.83 -0.03 0.00 -1.57 -3.43 103.07 97.77 1sg3 h GLY 89 Ca -0.50 -0.57 -0.48 0.00 0.00 0.00 0.00 47.33 45.78 1sg3 h GLY 89 CO 0.52 0.51 0.40 0.14 0.00 0.00 0.00 176.54 178.10 1sg3 s VAL 90 N -3.35 2.68 0.18 4.60 1.01 -1.26 -4.83 120.40 119.42 1sg3 s VAL 90 Ca -0.04 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1sg3 s VAL 90 Cb 0.10 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.40 1sg3 s VAL 90 CO 0.84 -0.29 1.74 0.00 0.00 0.00 0.00 175.10 177.39 1sg3 h ALA 91 N -0.94 0.83 -1.37 5.51 0.00 -1.88 -3.48 119.26 117.93 1sg3 h ALA 91 Ca -0.46 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 54.58 1sg3 h ALA 91 Cb 1.29 -0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.67 1sg3 h ALA 91 CO 0.64 0.45 0.86 0.00 0.00 0.00 0.00 179.25 181.20 1sg3 s ALA 92 N -5.54 -2.19 0.10 0.00 0.00 -1.26 -4.70 121.76 108.17 1sg3 s ALA 92 Ca -0.13 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.84 1sg3 s ALA 92 Cb 0.13 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.37 1sg3 s ALA 92 CO 0.81 -0.79 0.88 0.00 0.00 0.00 0.00 175.76 176.66 1sg3 s ALA 93 N -2.34 -1.68 -0.10 0.00 0.00 -0.67 -0.40 121.76 116.57 1sg3 s ALA 93 Ca 0.12 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 1sg3 s ALA 93 Cb 0.02 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1sg3 s ALA 93 CO -0.04 -0.88 0.10 -1.01 0.00 0.00 0.00 175.76 173.93 1sg3 s HIS 94 N -3.31 3.47 -0.08 0.00 3.76 -0.40 -1.38 115.29 117.36 1sg3 s HIS 94 Ca 0.08 0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 55.37 1sg3 s HIS 94 Cb -0.01 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 1sg3 s HIS 94 CO -0.03 0.66 0.14 0.42 -0.85 0.00 0.00 174.74 175.08 1sg3 s ILE 95 N -1.01 5.38 -0.05 0.60 -1.09 -1.26 0.48 121.20 124.24 1sg3 s ILE 95 Ca 0.15 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.63 1sg3 s ILE 95 Cb -0.12 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1sg3 s ILE 95 CO 0.04 0.52 -0.04 2.30 -1.23 0.00 0.00 174.94 176.54 1sg3 n ILE 96 N 1.66 0.30 -2.36 2.92 -0.00 -1.12 -1.60 119.36 119.17 1sg3 n ILE 96 Ca -0.17 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 1sg3 n ILE 96 Cb 0.54 -0.72 0.00 0.00 -0.00 0.00 0.00 39.64 39.46 1sg3 n ILE 96 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sg3 n GLY 97 N 3.16 1.37 0.00 3.28 0.00 -1.22 0.02 105.19 111.80 1sg3 n GLY 97 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1sg3 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sg3 n GLY 98 N 0.00 -1.45 3.16 -0.02 0.00 -0.31 -1.33 105.19 105.24 1sg3 n GLY 98 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 1sg3 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sg3 s GLU 99 N -1.24 0.80 -0.17 1.61 2.12 0.18 -1.51 118.70 120.49 1sg3 s GLU 99 Ca 0.00 -0.92 -0.02 0.00 0.36 0.00 0.00 54.97 54.39 1sg3 s GLU 99 Cb 0.00 -0.79 0.05 0.00 0.26 0.00 0.00 34.13 33.65 1sg3 s GLU 99 CO 0.00 0.18 0.00 0.42 -0.54 0.00 0.00 175.26 175.32 1sg3 s ILE 100 N -1.25 0.69 -0.17 -3.70 -1.09 -0.87 -0.91 121.20 113.91 1sg3 s ILE 100 Ca -0.02 -0.50 -0.05 0.00 -2.23 0.00 0.00 60.65 57.85 1sg3 s ILE 100 Cb -0.10 -1.05 -0.03 0.00 -1.58 0.00 0.00 42.46 39.70 1sg3 s ILE 100 CO 0.02 -0.04 0.00 -0.62 -1.23 0.00 0.00 174.94 173.07 1sg3 s ASP 101 N 1.80 5.10 -0.22 3.58 2.15 0.08 -0.66 116.67 128.49 1sg3 s ASP 101 Ca 0.00 -0.06 0.14 0.00 0.43 0.00 0.00 52.55 53.06 1sg3 s ASP 101 Cb -0.16 -1.85 0.54 0.00 -0.30 0.00 0.00 42.92 41.15 1sg3 s ASP 101 CO -0.07 0.16 1.47 0.35 -0.17 0.00 0.00 175.17 176.91 1sg3 n THR 102 N 3.61 2.43 -1.12 1.71 -2.24 -0.22 0.11 114.28 118.55 1sg3 n THR 102 Ca -0.17 -2.09 -0.39 0.00 -2.27 0.00 0.00 64.05 59.13 1sg3 n THR 102 Cb 0.52 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1sg3 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg3 n ALA 103 N -0.66 -2.53 -0.75 6.98 0.00 -1.26 -0.92 120.51 121.38 1sg3 n ALA 103 Ca 0.27 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 54.06 1sg3 n ALA 103 Cb 0.98 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 1sg3 n ALA 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sg3 n PHE 104 N 0.05 -0.01 -3.64 0.00 3.01 -1.26 -4.65 117.46 110.96 1sg3 n PHE 104 Ca 0.14 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.24 1sg3 n PHE 104 Cb 0.19 -1.62 -0.07 0.00 -0.01 0.00 0.00 39.48 37.97 1sg3 n PHE 104 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1sg3 s PHE 105 N -0.78 3.84 -0.94 1.38 0.40 -0.10 -4.98 117.98 116.81 1sg3 s PHE 105 Ca 0.00 -2.97 -0.14 0.00 -0.60 0.00 0.00 56.93 53.22 1sg3 s PHE 105 Cb 0.00 -3.25 0.21 0.00 0.51 0.00 0.00 43.02 40.48 1sg3 s PHE 105 CO 0.00 -0.76 0.97 1.21 0.70 0.00 0.00 175.22 177.34 1sg3 s ASN 106 N 0.01 6.88 0.00 1.36 3.84 -1.26 -2.28 114.94 123.48 1sg3 s ASN 106 Ca 0.26 -2.77 0.00 0.00 0.21 0.00 0.00 52.86 50.56 1sg3 s ASN 106 Cb -0.09 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1sg3 s ASN 106 CO -0.11 -0.63 0.00 0.61 -2.79 0.00 0.00 177.10 174.18 1sg3 n GLY 107 N 4.04 3.50 1.45 1.21 0.00 -1.26 -4.89 105.19 109.24 1sg3 n GLY 107 Ca 0.20 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 1sg3 n GLY 107 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sg3 n ASN 108 N 0.00 3.62 -4.87 1.61 6.94 -1.26 -4.92 115.26 116.37 1sg3 n ASN 108 Ca 0.00 -2.68 -0.30 0.00 -0.02 0.00 0.00 54.58 51.58 1sg3 n ASN 108 Cb 0.00 -0.64 0.05 0.00 -2.36 0.00 0.00 39.78 36.83 1sg3 n ASN 108 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1sg3 s HIS 109 N -1.97 3.31 -0.04 -2.53 -3.43 -1.26 -0.60 115.29 108.77 1sg3 s HIS 109 Ca 0.32 1.10 -0.30 0.00 -0.80 0.00 0.00 55.06 55.38 1sg3 s HIS 109 Cb 0.25 -3.03 -0.07 0.00 -1.43 0.00 0.00 32.58 28.31 1sg3 s HIS 109 CO 0.08 -1.18 1.80 0.00 -2.00 0.00 0.00 174.74 173.45 1sg3 s ALA 110 N -3.31 3.52 0.10 -1.38 0.00 -0.84 -4.40 121.76 115.45 1sg3 s ALA 110 Ca 0.58 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 1sg3 s ALA 110 Cb -0.11 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 1sg3 s ALA 110 CO 0.52 -1.60 1.64 -1.00 0.00 0.00 0.00 175.76 175.33 1sg3 h PRO 111 N 10.37 0.39 -4.83 0.00 0.13 -1.79 -3.38 132.00 132.90 1sg3 h PRO 111 Ca -0.43 -0.07 -0.29 0.00 -0.87 0.00 0.00 66.00 64.34 1sg3 h PRO 111 Cb 1.20 -0.06 -0.17 0.00 0.13 0.00 0.00 31.00 32.10 1sg3 h PRO 111 CO 0.95 0.43 -0.72 -0.06 -0.23 0.00 0.00 178.00 178.37 1sg3 s PHE 112 N -5.53 0.97 -0.07 1.56 0.40 -1.19 -1.45 117.98 112.68 1sg3 s PHE 112 Ca -0.13 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.37 1sg3 s PHE 112 Cb 0.08 -0.54 0.02 0.00 0.51 0.00 0.00 43.02 43.09 1sg3 s PHE 112 CO 0.72 -0.05 0.29 0.08 0.70 0.00 0.00 175.22 176.97 1sg3 s VAL 113 N -2.65 0.03 0.04 -0.44 1.01 -0.02 -2.06 120.40 116.30 1sg3 s VAL 113 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 1sg3 s VAL 113 Cb -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1sg3 s VAL 113 CO -0.01 -0.12 -0.03 -0.94 0.00 0.00 0.00 175.10 173.99 1sg3 s SER 114 N -0.46 0.46 0.02 3.32 1.04 -1.13 -0.68 113.70 116.27 1sg3 s SER 114 Ca -0.06 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.63 1sg3 s SER 114 Cb -0.04 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 1sg3 s SER 114 CO 0.02 -0.47 -0.18 -0.63 0.98 0.00 0.00 173.24 172.96 1sg3 s ILE 115 N -2.91 1.42 0.21 -1.02 1.01 -0.43 -2.00 121.20 117.48 1sg3 s ILE 115 Ca -0.02 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.70 1sg3 s ILE 115 Cb 0.01 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1sg3 s ILE 115 CO -0.06 0.21 -0.09 -1.61 0.00 0.00 0.00 174.94 173.39 1sg3 s GLU 116 N -0.92 1.31 0.18 2.79 2.02 -0.02 -0.58 118.70 123.47 1sg3 s GLU 116 Ca 0.06 -1.61 -0.03 0.00 0.02 0.00 0.00 54.97 53.40 1sg3 s GLU 116 Cb -0.08 -0.93 -0.03 0.00 0.10 0.00 0.00 34.13 33.19 1sg3 s GLU 116 CO 0.01 0.09 0.17 0.00 0.02 0.00 0.00 175.26 175.54 1sg3 s ALA 117 N -3.14 0.77 -0.08 5.21 0.00 0.11 0.19 121.76 124.82 1sg3 s ALA 117 Ca 0.23 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 1sg3 s ALA 117 Cb 0.02 1.12 0.11 0.00 0.00 0.00 0.00 23.12 24.37 1sg3 s ALA 117 CO 0.07 -0.59 0.88 -0.48 0.00 0.00 0.00 175.76 175.63 1sg3 s LEU 118 N -3.08 -0.43 -0.17 0.00 2.34 -0.80 0.53 118.68 117.07 1sg3 s LEU 118 Ca 0.30 0.32 -0.01 0.00 0.06 0.00 0.00 54.13 54.80 1sg3 s LEU 118 Cb 0.06 2.08 -0.01 0.00 -0.56 0.00 0.00 46.19 47.76 1sg3 s LEU 118 CO 0.07 -0.51 -0.12 -0.47 -1.06 0.00 0.00 176.35 174.26 1sg3 s TYR 119 N -1.87 2.84 -0.30 3.48 5.04 -1.26 -1.84 117.35 123.44 1sg3 s TYR 119 Ca -0.01 -0.94 0.01 0.00 -2.44 0.00 0.00 57.07 53.69 1sg3 s TYR 119 Cb -0.01 -1.94 0.07 0.00 0.35 0.00 0.00 41.96 40.44 1sg3 s TYR 119 CO -0.01 -0.44 -0.01 0.34 -1.34 0.00 0.00 175.55 174.09 1sg3 s ASP 120 N 0.90 4.73 0.06 4.32 2.15 -1.26 -4.97 116.67 122.61 1sg3 s ASP 120 Ca -0.03 -1.60 -0.12 0.00 0.43 0.00 0.00 52.55 51.23 1sg3 s ASP 120 Cb -0.15 -1.64 -0.03 0.00 -0.30 0.00 0.00 42.92 40.80 1sg3 s ASP 120 CO -0.01 -0.29 0.88 1.21 -0.17 0.00 0.00 175.17 176.80 1sg3 n GLU 121 N 4.46 -0.18 -4.40 4.34 0.00 -1.26 -4.63 120.64 118.97 1sg3 n GLU 121 Ca -0.08 0.87 -0.20 0.00 0.00 0.00 0.00 57.16 57.74 1sg3 n GLU 121 Cb 0.42 -1.29 -0.10 0.00 0.00 0.00 0.00 31.44 30.47 1sg3 n GLU 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1sg3 s GLY 122 N -2.00 1.69 -0.25 8.31 0.00 -1.26 -5.00 107.32 108.81 1sg3 s GLY 122 Ca -0.05 -1.82 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 1sg3 s GLY 122 CO 0.25 -1.82 2.04 -2.21 0.00 0.00 0.00 173.10 171.36 1sg3 n GLU 123 N -0.51 1.26 0.31 2.90 4.07 -1.26 -4.47 120.64 122.93 1sg3 n GLU 123 Ca -0.06 -0.76 0.17 0.00 -0.06 0.00 0.00 57.16 56.45 1sg3 n GLU 123 Cb 0.62 -1.95 0.99 0.00 -0.06 0.00 0.00 31.44 31.04 1sg3 n GLU 123 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1sg3 h GLU 124 N 5.12 0.00 0.00 5.31 4.11 -1.94 -3.47 114.58 123.71 1sg3 h GLU 124 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1sg3 h GLU 124 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1sg3 h GLU 124 CO 0.68 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.17 1sg3 n GLY 125 N -1.26 -1.04 3.64 1.06 0.00 -1.26 -5.11 105.19 101.21 1sg3 n GLY 125 Ca -0.03 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1sg3 n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sg3 s ASN 126 N -4.00 6.50 0.43 1.61 0.01 -1.26 -5.04 114.94 113.18 1sg3 s ASN 126 Ca 0.00 0.60 -0.26 0.00 -0.71 0.00 0.00 52.86 52.49 1sg3 s ASN 126 Cb 0.00 -2.28 -0.09 0.00 0.41 0.00 0.00 41.25 39.29 1sg3 s ASN 126 CO 0.00 -0.22 1.42 -0.63 -1.51 0.00 0.00 177.10 176.16 1sg3 s ILE 127 N 1.91 2.16 -0.01 0.60 -1.09 -1.26 -5.02 121.20 118.49 1sg3 s ILE 127 Ca 0.22 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.78 1sg3 s ILE 127 Cb -0.15 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1sg3 s ILE 127 CO 0.09 0.02 0.08 -0.69 -1.23 0.00 0.00 174.94 173.22 1sg3 s VAL 128 N -1.19 4.77 0.17 2.92 1.01 -1.26 -4.82 120.40 121.99 1sg3 s VAL 128 Ca 0.58 -0.37 0.32 0.00 0.00 0.00 0.00 61.98 62.52 1sg3 s VAL 128 Cb -0.43 -3.17 0.33 0.00 0.00 0.00 0.00 36.38 33.10 1sg3 s VAL 128 CO 0.56 0.37 1.99 1.05 0.00 0.00 0.00 175.10 179.07 1sg3 h GLU 129 N 4.17 0.00 0.00 2.72 -0.00 -2.00 -0.92 114.58 118.55 1sg3 h GLU 129 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1sg3 h GLU 129 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1sg3 h GLU 129 CO 0.62 0.00 -0.21 -3.47 -0.00 0.00 0.00 179.01 175.95 1sg3 n ASP 130 N -2.66 0.76 -4.48 3.06 2.03 -1.26 -4.95 116.55 109.06 1sg3 n ASP 130 Ca -0.02 0.41 -0.44 0.00 0.52 0.00 0.00 54.79 55.26 1sg3 n ASP 130 Cb 0.08 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.01 1sg3 n ASP 130 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1sg3 n ASP 131 N -2.19 -0.27 0.06 1.67 4.64 -0.35 -4.88 116.55 115.22 1sg3 n ASP 131 Ca 0.05 1.06 0.13 0.00 -1.38 0.00 0.00 54.79 54.65 1sg3 n ASP 131 Cb 0.43 -1.12 0.47 0.00 -1.04 0.00 0.00 41.12 39.86 1sg3 n ASP 131 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1sg3 n SER 132 N 1.49 0.47 0.05 1.67 3.41 -1.26 -3.69 113.62 115.75 1sg3 n SER 132 Ca 0.13 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1sg3 n SER 132 Cb 0.33 -0.57 0.51 0.00 -0.26 0.00 0.00 64.21 64.22 1sg3 n SER 132 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sg3 n ARG 133 N -1.91 0.13 -1.64 4.33 1.74 -1.26 -4.90 116.66 113.14 1sg3 n ARG 133 Ca 0.06 0.11 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 1sg3 n ARG 133 Cb 0.39 -1.65 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1sg3 n ARG 133 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1sg3 n TRP 134 N -1.88 1.69 -3.96 -1.55 7.02 -1.24 -4.61 117.44 112.91 1sg3 n TRP 134 Ca 0.06 0.60 -0.16 0.00 -1.02 0.00 0.00 57.50 56.98 1sg3 n TRP 134 Cb 0.39 -2.32 -0.16 0.00 -2.42 0.00 0.00 31.31 26.80 1sg3 n TRP 134 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1sg3 s VAL 135 N -1.13 0.19 -0.07 -0.99 1.01 0.19 -4.91 120.40 114.69 1sg3 s VAL 135 Ca 0.58 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 1sg3 s VAL 135 Cb -0.61 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 1sg3 s VAL 135 CO 0.60 0.12 1.76 -0.70 0.00 0.00 0.00 175.10 176.88 1sg3 s GLU 136 N 0.72 4.04 -0.21 2.72 2.12 -1.26 0.08 118.70 126.92 1sg3 s GLU 136 Ca -0.07 2.19 0.11 0.00 0.36 0.00 0.00 54.97 57.56 1sg3 s GLU 136 Cb -0.10 -4.06 -0.21 0.00 0.26 0.00 0.00 34.13 30.02 1sg3 s GLU 136 CO -0.01 -1.03 -0.03 -0.89 -0.54 0.00 0.00 175.26 172.76 1sg3 n ILE 137 N 5.80 1.33 -3.67 -3.70 2.08 0.25 -4.89 119.36 116.54 1sg3 n ILE 137 Ca 0.19 -0.70 -0.26 0.00 0.56 0.00 0.00 62.75 62.54 1sg3 n ILE 137 Cb 0.43 -0.80 -0.17 0.00 -0.75 0.00 0.00 39.64 38.35 1sg3 n ILE 137 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1sg3 s VAL 138 N -2.47 0.16 0.65 1.39 1.01 -0.79 -4.97 120.40 115.39 1sg3 s VAL 138 Ca -0.18 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1sg3 s VAL 138 Cb 0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1sg3 s VAL 138 CO 0.70 -0.16 1.29 -1.83 0.00 0.00 0.00 175.10 175.09 1sg3 s GLU 139 N 2.03 2.54 0.12 2.72 1.03 -1.26 -1.32 118.70 124.55 1sg3 s GLU 139 Ca 0.02 2.05 -0.35 0.00 0.03 0.00 0.00 54.97 56.72 1sg3 s GLU 139 Cb -0.16 -1.84 -0.17 0.00 -0.80 0.00 0.00 34.13 31.16 1sg3 s GLU 139 CO -0.08 -1.61 1.14 1.17 -1.33 0.00 0.00 175.26 174.56 1sg3 n LYS 140 N -1.93 0.84 -4.00 -4.83 4.81 -1.26 -4.72 118.16 107.07 1sg3 n LYS 140 Ca 0.16 0.30 -0.09 0.00 -0.87 0.00 0.00 58.31 57.81 1sg3 n LYS 140 Cb 0.48 -1.80 -0.08 0.00 0.02 0.00 0.00 35.03 33.65 1sg3 n LYS 140 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1sg3 s PHE 141 N -0.03 0.47 0.13 5.64 -0.12 0.14 -4.93 117.98 119.28 1sg3 s PHE 141 Ca 0.79 -0.88 -0.18 0.00 -0.05 0.00 0.00 56.93 56.61 1sg3 s PHE 141 Cb -0.97 -0.21 -0.07 0.00 -0.63 0.00 0.00 43.02 41.14 1sg3 s PHE 141 CO 0.52 -0.58 0.61 -2.00 -0.05 0.00 0.00 175.22 173.72 1sg3 s GLU 142 N -3.96 4.18 0.20 1.99 2.12 -1.26 -0.84 118.70 121.13 1sg3 s GLU 142 Ca 0.15 0.73 0.08 0.00 0.36 0.00 0.00 54.97 56.29 1sg3 s GLU 142 Cb 0.05 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1sg3 s GLU 142 CO -0.04 0.54 -0.01 0.00 -0.54 0.00 0.00 175.26 175.21 1sg3 s GLY 144 N -3.14 2.14 0.53 0.00 0.00 -1.26 -4.82 107.32 100.77 1sg3 s GLY 144 Ca 0.28 -1.94 -0.18 0.00 0.00 0.00 0.00 44.72 42.88 1sg3 s GLY 144 CO 0.18 -1.79 1.04 2.56 0.00 0.00 0.00 173.10 175.09 1sg3 s PRO 145 N -3.96 3.63 -0.75 2.90 0.04 -1.26 -4.29 135.00 131.31 1sg3 s PRO 145 Ca 0.42 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 1sg3 s PRO 145 Cb -0.00 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1sg3 s PRO 145 CO 0.24 -0.56 0.26 0.45 0.04 0.00 0.00 177.00 177.43 1sg3 n SER 146 N -1.48 -1.36 -3.96 6.66 2.88 -0.97 -4.91 113.62 110.49 1sg3 n SER 146 Ca 0.09 -0.73 -0.10 0.00 -1.33 0.00 0.00 58.87 56.79 1sg3 n SER 146 Cb 0.53 -0.89 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 1sg3 n SER 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sg3 s GLN 147 N -6.11 1.54 -0.15 -1.46 -2.07 -1.26 -4.65 119.66 105.50 1sg3 s GLN 147 Ca 0.19 -1.32 -0.06 0.00 -1.82 0.00 0.00 55.36 52.34 1sg3 s GLN 147 Cb -0.11 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 1sg3 s GLN 147 CO 0.55 -0.63 0.07 1.03 -1.32 0.00 0.00 175.29 174.99 1sg3 s ARG 148 N -3.96 3.64 -0.38 9.60 0.52 -1.26 -1.05 118.95 126.07 1sg3 s ARG 148 Ca 0.25 -0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1sg3 s ARG 148 Cb 0.00 -3.12 0.09 0.00 0.52 0.00 0.00 34.95 32.44 1sg3 s ARG 148 CO 0.10 0.48 0.15 -1.01 0.02 0.00 0.00 175.30 175.04 1sg3 s HIS 149 N -0.23 3.48 -0.21 -0.53 3.76 0.16 -4.87 115.29 116.85 1sg3 s HIS 149 Ca 0.08 -2.18 -0.19 0.00 -0.15 0.00 0.00 55.06 52.62 1sg3 s HIS 149 Cb -0.12 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1sg3 s HIS 149 CO 0.01 -0.91 0.55 -0.51 -0.85 0.00 0.00 174.74 173.03 1sg3 s LEU 150 N 1.19 4.12 0.01 0.89 1.43 -1.25 -2.05 118.68 123.03 1sg3 s LEU 150 Ca 0.04 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1sg3 s LEU 150 Cb -0.22 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 1sg3 s LEU 150 CO -0.03 -0.23 -0.03 0.72 0.23 0.00 0.00 176.35 177.02 1sg3 s PHE 151 N 1.87 0.24 0.09 0.29 -0.12 -0.57 -1.20 117.98 118.57 1sg3 s PHE 151 Ca 0.25 -0.34 0.08 0.00 -0.05 0.00 0.00 56.93 56.87 1sg3 s PHE 151 Cb -0.16 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.04 1sg3 s PHE 151 CO 0.10 -0.11 -0.22 0.08 -0.05 0.00 0.00 175.22 175.02 1sg3 s VAL 152 N -0.94 1.78 0.21 -2.49 1.01 -0.62 -1.16 120.40 118.18 1sg3 s VAL 152 Ca -0.10 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 1sg3 s VAL 152 Cb -0.07 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 1sg3 s VAL 152 CO -0.01 0.05 1.26 -0.13 0.00 0.00 0.00 175.10 176.27 1sg3 s ARG 153 N -1.70 4.44 0.26 2.72 0.52 0.10 -1.82 118.95 123.47 1sg3 s ARG 153 Ca 0.08 1.99 -0.02 0.00 -0.52 0.00 0.00 55.73 57.26 1sg3 s ARG 153 Cb -0.10 -3.20 0.52 0.00 0.52 0.00 0.00 34.95 32.70 1sg3 s ARG 153 CO 0.04 -0.16 1.72 0.78 0.02 0.00 0.00 175.30 177.70 1sg3 h GLY 154 N 5.04 1.23 -1.08 -3.53 0.00 -1.90 -0.07 103.07 102.76 1sg3 h GLY 154 Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1sg3 h GLY 154 CO 0.74 -0.14 0.00 0.70 0.00 0.00 0.00 176.54 177.85 1sg3 n ASN 155 N -5.01 2.07 0.00 0.19 3.02 -1.26 -4.83 115.26 109.44 1sg3 n ASN 155 Ca 0.16 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1sg3 n ASN 155 Cb 0.47 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1sg3 n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sg3 n GLY 156 N 1.24 -0.24 3.68 7.41 0.00 -0.04 -4.90 105.19 112.34 1sg3 n GLY 156 Ca 0.17 -1.14 -0.53 0.00 0.00 0.00 0.00 46.02 44.52 1sg3 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sg3 n LEU 157 N 0.00 2.66 -4.71 0.99 7.94 -1.25 -4.64 117.00 117.98 1sg3 n LEU 157 Ca 0.00 1.05 -0.42 0.00 -1.11 0.00 0.00 56.01 55.53 1sg3 n LEU 157 Cb 0.00 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 42.68 1sg3 n LEU 157 CO 0.00 -0.39 1.27 0.42 -1.11 0.00 0.00 177.39 177.58 1sg3 s THR 158 N 3.06 2.56 -0.44 1.96 -4.23 -0.63 -4.87 115.64 113.05 1sg3 s THR 158 Ca 0.93 0.36 0.21 0.00 -1.18 0.00 0.00 61.69 62.01 1sg3 s THR 158 Cb -0.91 -3.23 0.21 0.00 1.34 0.00 0.00 72.50 69.91 1sg3 s THR 158 CO 0.57 0.02 1.64 2.29 -0.54 0.00 0.00 174.62 178.60 1sg3 n LYS 159 N 4.18 0.15 -4.00 3.99 2.85 -1.26 -4.58 118.16 119.49 1sg3 n LYS 159 Ca 0.14 0.49 -0.22 0.00 -1.05 0.00 0.00 58.31 57.68 1sg3 n LYS 159 Cb 0.38 -1.86 -0.03 0.00 -0.65 0.00 0.00 35.03 32.88 1sg3 n LYS 159 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1sg3 s GLU 160 N -3.36 3.33 0.28 -1.58 8.01 -1.26 -5.11 118.70 119.00 1sg3 s GLU 160 Ca 0.02 -0.81 -0.09 0.00 0.01 0.00 0.00 54.97 54.10 1sg3 s GLU 160 Cb 0.08 -2.83 -0.07 0.00 -4.31 0.00 0.00 34.13 27.00 1sg3 s GLU 160 CO 0.29 0.43 0.61 1.03 0.01 0.00 0.00 175.26 177.63 1sg3 s ARG 161 N -3.87 3.79 0.00 1.61 0.52 -1.26 -4.53 118.95 115.21 1sg3 s ARG 161 Ca 0.34 0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.81 1sg3 s ARG 161 Cb -0.09 -2.58 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1sg3 s ARG 161 CO 0.28 0.22 0.05 -0.06 0.02 0.00 0.00 175.30 175.82 1sg3 s PHE 162 N -1.98 0.09 -0.05 -0.53 2.99 -0.48 -4.53 117.98 113.50 1sg3 s PHE 162 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 56.93 57.21 1sg3 s PHE 162 Cb -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 43.02 42.80 1sg3 s PHE 162 CO 0.24 -0.18 -0.04 0.25 -0.00 0.00 0.00 175.22 175.48 1sg3 n THR 163 N 1.93 0.28 -4.52 0.64 -2.24 -0.76 -1.67 114.28 107.94 1sg3 n THR 163 Ca -0.20 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1sg3 n THR 163 Cb 0.56 -0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 1sg3 n THR 163 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1sg3 s HIS 164 N -2.10 2.46 0.09 4.78 3.76 -0.86 -1.90 115.29 121.52 1sg3 s HIS 164 Ca -0.07 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.60 1sg3 s HIS 164 Cb 0.02 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 1sg3 s HIS 164 CO 0.11 0.30 -0.17 0.96 -0.85 0.00 0.00 174.74 175.09 1sg3 s ILE 165 N -1.01 1.37 -0.13 0.60 -5.25 -0.36 -1.90 121.20 114.53 1sg3 s ILE 165 Ca 0.15 -1.47 0.00 0.00 -0.99 0.00 0.00 60.65 58.34 1sg3 s ILE 165 Cb -0.10 -1.33 0.02 0.00 2.95 0.00 0.00 42.46 44.00 1sg3 s ILE 165 CO 0.07 -0.20 -0.12 -0.75 -1.79 0.00 0.00 174.94 172.14 1sg3 s LYS 166 N -1.97 2.05 -0.02 0.37 2.20 0.13 -1.11 119.74 121.39 1sg3 s LYS 166 Ca 0.03 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.02 1sg3 s LYS 166 Cb -0.09 -1.91 -0.05 0.00 -1.51 0.00 0.00 37.83 34.26 1sg3 s LYS 166 CO 0.03 -0.22 0.43 -1.17 -0.36 0.00 0.00 175.35 174.06 1sg3 s LEU 167 N 1.49 4.44 -0.04 5.43 2.96 -0.79 -0.84 118.68 131.32 1sg3 s LEU 167 Ca 0.03 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 54.93 1sg3 s LEU 167 Cb -0.13 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.94 1sg3 s LEU 167 CO -0.09 0.26 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.49 1sg3 s LYS 168 N -0.74 1.75 -0.23 1.98 1.02 -0.84 -1.67 119.74 121.00 1sg3 s LYS 168 Ca 0.24 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.65 1sg3 s LYS 168 Cb -0.17 -1.53 0.05 0.00 -0.52 0.00 0.00 37.83 35.66 1sg3 s LYS 168 CO 0.13 0.25 -0.12 1.41 -0.92 0.00 0.00 175.35 176.09 1sg3 s MET 169 N 0.02 2.31 -0.36 1.68 -2.45 -0.11 -2.83 119.30 117.56 1sg3 s MET 169 Ca -0.03 -1.11 -0.16 0.00 -1.25 0.00 0.00 55.69 53.13 1sg3 s MET 169 Cb -0.11 -2.71 -0.00 0.00 1.25 0.00 0.00 34.83 33.26 1sg3 s MET 169 CO 0.02 -0.47 0.41 0.71 1.05 0.00 0.00 175.02 176.74 1sg3 s TYR 170 N 1.22 3.19 -0.49 4.11 1.51 -0.88 -0.45 117.35 125.57 1sg3 s TYR 170 Ca -0.04 -0.09 0.17 0.00 -1.01 0.00 0.00 57.07 56.10 1sg3 s TYR 170 Cb -0.18 -2.77 -0.21 0.00 -0.11 0.00 0.00 41.96 38.69 1sg3 s TYR 170 CO -0.07 -0.52 0.57 -0.35 -1.11 0.00 0.00 175.55 174.06 1sg3 n PRO 171 N 5.50 1.18 0.00 -1.71 -0.04 -1.26 -3.15 135.00 135.52 1sg3 n PRO 171 Ca -0.08 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1sg3 n PRO 171 Cb 0.49 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1sg3 n PRO 171 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sg3 n ASP 172 N -1.65 0.00 0.00 3.54 5.68 -1.20 -3.11 116.55 119.81 1sg3 n ASP 172 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1sg3 n ASP 172 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1sg3 n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sg3 n GLY 173 N -0.25 0.57 3.08 6.12 0.00 -1.26 -4.49 105.19 108.95 1sg3 n GLY 173 Ca 0.00 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 1sg3 n GLY 173 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg3 s GLY 174 N 0.00 0.62 -0.04 -0.02 0.00 0.23 -1.77 107.32 106.34 1sg3 s GLY 174 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1sg3 s GLY 174 CO 0.00 -0.55 -0.14 -0.42 0.00 0.00 0.00 173.10 171.99 1sg3 s ILE 175 N -0.52 1.16 -0.16 0.90 -1.09 -0.25 -1.98 121.20 119.26 1sg3 s ILE 175 Ca 0.03 -0.56 -0.24 0.00 -2.23 0.00 0.00 60.65 57.64 1sg3 s ILE 175 Cb -0.06 -1.01 -0.23 0.00 -1.58 0.00 0.00 42.46 39.58 1sg3 s ILE 175 CO 0.00 0.35 0.51 0.00 -1.23 0.00 0.00 174.94 174.56 1sg3 h ALA 176 N 6.37 0.13 -2.68 9.38 0.00 0.48 0.41 119.26 133.34 1sg3 h ALA 176 Ca -0.33 -0.88 -0.14 0.00 0.00 0.00 0.00 54.91 53.56 1sg3 h ALA 176 Cb 1.17 0.38 -0.19 0.00 0.00 0.00 0.00 17.79 19.16 1sg3 h ALA 176 CO 0.48 0.40 -0.62 1.03 0.00 0.00 0.00 179.25 180.54 1sg3 s ARG 177 N -2.31 0.48 -0.17 0.00 1.81 -0.43 -4.19 118.95 114.14 1sg3 s ARG 177 Ca -0.23 -0.76 -0.03 0.00 -1.72 0.00 0.00 55.73 52.99 1sg3 s ARG 177 Cb 0.02 0.18 0.05 0.00 -0.45 0.00 0.00 34.95 34.75 1sg3 s ARG 177 CO 0.66 -0.10 0.04 0.12 -0.68 0.00 0.00 175.30 175.33 1sg3 s PHE 178 N -2.33 0.82 -0.10 -0.53 5.99 0.16 -0.74 117.98 121.25 1sg3 s PHE 178 Ca -0.08 -0.63 0.01 0.00 0.00 0.00 0.00 56.93 56.24 1sg3 s PHE 178 Cb -0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 43.02 42.04 1sg3 s PHE 178 CO -0.04 -0.54 -0.14 1.03 -0.00 0.00 0.00 175.22 175.53 1sg3 s ARG 179 N 1.93 3.06 -0.31 10.12 1.81 -0.09 -4.54 118.95 130.94 1sg3 s ARG 179 Ca 0.01 -0.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 1sg3 s ARG 179 Cb -0.16 -2.52 0.09 0.00 -0.45 0.00 0.00 34.95 31.92 1sg3 s ARG 179 CO -0.08 0.35 0.07 -1.17 -0.68 0.00 0.00 175.30 173.79 1sg3 s LEU 180 N -0.01 2.85 0.25 2.53 2.96 -1.26 0.49 118.68 126.49 1sg3 s LEU 180 Ca -0.04 -1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.88 1sg3 s LEU 180 Cb -0.14 -1.07 -0.09 0.00 0.50 0.00 0.00 46.19 45.39 1sg3 s LEU 180 CO 0.04 -0.39 1.06 -0.31 -1.32 0.00 0.00 176.35 175.43 1sg3 s TYR 181 N 1.43 3.69 0.04 5.38 2.02 -0.44 -1.80 117.35 127.67 1sg3 s TYR 181 Ca 0.08 1.74 -0.26 0.00 -0.37 0.00 0.00 57.07 58.26 1sg3 s TYR 181 Cb -0.18 -3.20 0.07 0.00 -0.40 0.00 0.00 41.96 38.25 1sg3 s TYR 181 CO -0.19 -0.28 0.62 0.20 -1.57 0.00 0.00 175.55 174.33 1sg3 s GLY 182 N -0.82 -0.55 -0.32 0.71 0.00 0.13 -2.79 107.32 103.68 1sg3 s GLY 182 Ca 0.44 0.89 -0.26 0.00 0.00 0.00 0.00 44.72 45.79 1sg3 s GLY 182 CO 0.38 0.55 0.93 -1.60 0.00 0.00 0.00 173.10 173.35 1sg3 s ARG 183 N -2.28 3.98 0.14 2.90 3.52 0.18 -0.53 118.95 126.86 1sg3 s ARG 183 Ca -0.06 0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 56.01 1sg3 s ARG 183 Cb -0.01 -3.74 -0.09 0.00 -1.56 0.00 0.00 34.95 29.55 1sg3 s ARG 183 CO 0.00 -0.81 1.46 0.08 -0.81 0.00 0.00 175.30 175.22 1sg3 s VAL 184 N 3.31 3.00 -0.61 7.11 1.01 -1.26 -1.27 120.40 131.69 1sg3 s VAL 184 Ca 0.38 0.72 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 1sg3 s VAL 184 Cb -0.13 -3.46 0.10 0.00 0.00 0.00 0.00 36.38 32.88 1sg3 s VAL 184 CO 0.15 0.06 0.76 -0.69 0.00 0.00 0.00 175.10 175.38 1sg3 s VAL 185 N 1.06 4.71 0.81 2.92 1.01 0.47 -4.65 120.40 126.73 1sg3 s VAL 185 Ca 0.66 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1sg3 s VAL 185 Cb -0.40 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.44 1sg3 s VAL 185 CO 0.31 -1.20 0.46 -0.81 0.00 0.00 0.00 175.10 173.86 1sg3 n PRO 186 N 6.64 0.08 0.00 2.72 -0.04 -1.26 -4.18 135.00 138.97 1sg3 n PRO 186 Ca -0.08 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1sg3 n PRO 186 Cb 0.43 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1sg3 n PRO 186 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1sg3 n PRO 187 N -1.01 0.00 -0.97 0.54 -0.04 -1.26 -4.99 135.00 127.28 1sg3 n PRO 187 Ca 0.09 0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 63.40 1sg3 n PRO 187 Cb 0.51 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 1sg3 n PRO 187 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1sg3 n ILE 195 N -1.17 0.30 -3.97 0.52 3.06 -1.26 -5.19 119.36 111.65 1sg3 n ILE 195 Ca 0.00 -0.08 -0.09 0.00 -2.50 0.00 0.00 62.75 60.08 1sg3 n ILE 195 Cb 0.00 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.11 1sg3 n ILE 195 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 1sg3 s ILE 196 N -0.15 0.08 -0.59 9.51 -0.00 -0.44 -4.91 121.20 124.70 1sg3 s ILE 196 Ca 0.55 -1.42 -0.27 0.00 -0.00 0.00 0.00 60.65 59.51 1sg3 s ILE 196 Cb -0.78 -1.80 -0.01 0.00 -0.00 0.00 0.00 42.46 39.88 1sg3 s ILE 196 CO 0.37 -0.37 1.69 -0.62 -0.00 0.00 0.00 174.94 176.02 1sg3 s ASP 197 N -2.96 5.61 0.58 4.36 -1.08 -1.26 -2.61 116.67 119.31 1sg3 s ASP 197 Ca 0.16 0.31 0.38 0.00 -0.52 0.00 0.00 52.55 52.88 1sg3 s ASP 197 Cb 0.04 -2.54 1.79 0.00 -1.46 0.00 0.00 42.92 40.76 1sg3 s ASP 197 CO -0.01 -2.12 2.13 -0.07 0.52 0.00 0.00 175.17 175.61 1sg3 h LEU 198 N 15.09 0.00 -3.16 -1.34 3.38 -1.42 -2.42 115.31 125.45 1sg3 h LEU 198 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1sg3 h LEU 198 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1sg3 h LEU 198 CO 1.20 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.73 1sg3 n ALA 199 N -2.06 2.93 -2.71 1.53 0.00 -1.26 -1.68 120.51 117.25 1sg3 n ALA 199 Ca -0.01 -1.73 -0.41 0.00 0.00 0.00 0.00 53.44 51.29 1sg3 n ALA 199 Cb 0.20 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1sg3 n ALA 199 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1sg3 s TYR 200 N -2.02 3.61 0.34 0.00 5.04 -0.91 -4.53 117.35 118.87 1sg3 s TYR 200 Ca 0.43 1.42 0.02 0.00 -2.44 0.00 0.00 57.07 56.50 1sg3 s TYR 200 Cb 0.30 -2.92 0.62 0.00 0.35 0.00 0.00 41.96 40.30 1sg3 s TYR 200 CO 0.18 0.05 1.98 -0.24 -1.34 0.00 0.00 175.55 176.18 1sg3 h VAL 201 N 4.77 1.13 0.00 3.14 3.04 -1.44 0.11 116.25 127.01 1sg3 h VAL 201 Ca -0.41 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1sg3 h VAL 201 Cb 1.21 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1sg3 h VAL 201 CO 0.75 0.16 0.00 0.00 -1.01 0.00 0.00 177.57 177.48 1sg3 n ASN 203 N -1.36 2.36 0.00 0.00 3.02 0.01 -4.50 115.26 114.78 1sg3 n ASN 203 Ca 0.05 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 1sg3 n ASN 203 Cb 0.12 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1sg3 n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sg3 n GLY 204 N 0.85 0.84 3.83 7.41 0.00 -0.50 -4.48 105.19 113.14 1sg3 n GLY 204 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1sg3 n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg3 s ALA 205 N -2.00 3.00 0.01 4.61 0.00 -1.07 -3.95 121.76 122.36 1sg3 s ALA 205 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1sg3 s ALA 205 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.98 1sg3 s ALA 205 CO 0.00 -0.25 0.24 0.54 0.00 0.00 0.00 175.76 176.29 1sg3 s VAL 206 N -2.47 0.08 -0.03 0.00 0.11 -1.05 -4.33 120.40 112.71 1sg3 s VAL 206 Ca 0.61 -0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1sg3 s VAL 206 Cb -0.11 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1sg3 s VAL 206 CO 0.28 -0.36 0.93 0.00 -3.33 0.00 0.00 175.10 172.62 1sg3 s ALA 207 N -1.75 3.23 -0.09 1.54 0.00 -1.26 -1.30 121.76 122.13 1sg3 s ALA 207 Ca -0.11 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 1sg3 s ALA 207 Cb -0.04 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1sg3 s ALA 207 CO 0.01 -0.27 -0.16 1.28 0.00 0.00 0.00 175.76 176.62 1sg3 n LEU 208 N 4.06 0.96 -4.34 0.00 4.77 0.13 -4.95 117.00 117.64 1sg3 n LEU 208 Ca 0.05 0.22 -0.18 0.00 -0.03 0.00 0.00 56.01 56.07 1sg3 n LEU 208 Cb 0.51 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1sg3 n LEU 208 CO 0.51 -0.40 -0.24 -0.54 -1.33 0.00 0.00 177.39 175.38 1sg3 s LYS 209 N -1.90 1.49 -0.16 3.23 1.02 -1.22 -4.90 119.74 117.29 1sg3 s LYS 209 Ca -0.13 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 53.74 1sg3 s LYS 209 Cb 0.02 -0.31 0.12 0.00 -0.52 0.00 0.00 37.83 37.14 1sg3 s LYS 209 CO 0.20 -0.32 0.98 1.52 -0.92 0.00 0.00 175.35 176.81 1sg3 s TYR 210 N -3.66 -0.39 0.08 3.18 -0.85 -1.26 -1.51 117.35 112.93 1sg3 s TYR 210 Ca 0.37 0.69 -0.26 0.00 -0.52 0.00 0.00 57.07 57.36 1sg3 s TYR 210 Cb 0.07 0.44 -0.16 0.00 0.38 0.00 0.00 41.96 42.69 1sg3 s TYR 210 CO 0.14 -0.35 1.67 0.66 -1.52 0.00 0.00 175.55 176.16 1sg3 h SER 211 N 2.69 -0.19 -4.69 -0.18 4.64 -1.74 -3.47 113.55 110.61 1sg3 h SER 211 Ca -0.19 -0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.28 1sg3 h SER 211 Cb 1.16 0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 1sg3 h SER 211 CO 0.30 -0.11 0.61 -0.62 -0.87 0.00 0.00 176.83 176.15 1sg3 s ASP 212 N -5.02 -0.25 -0.07 4.97 2.15 -1.26 -5.03 116.67 112.15 1sg3 s ASP 212 Ca -0.14 -0.06 -0.00 0.00 0.43 0.00 0.00 52.55 52.78 1sg3 s ASP 212 Cb 0.05 0.31 0.03 0.00 -0.30 0.00 0.00 42.92 43.01 1sg3 s ASP 212 CO 0.65 -0.52 -0.02 -1.10 -0.17 0.00 0.00 175.17 174.01 1sg3 s GLN 213 N -2.89 0.76 -0.20 4.34 -0.21 -1.26 -4.80 119.66 115.40 1sg3 s GLN 213 Ca 0.08 0.00 -0.16 0.00 0.02 0.00 0.00 55.36 55.31 1sg3 s GLN 213 Cb -0.01 -0.97 -0.09 0.00 1.00 0.00 0.00 33.01 32.94 1sg3 s GLN 213 CO -0.06 -0.22 -0.22 1.58 -2.12 0.00 0.00 175.29 174.24 1sg3 n HIS 214 N 4.74 0.37 -4.30 0.91 -0.00 0.40 -4.98 115.22 112.37 1sg3 n HIS 214 Ca -0.14 0.16 -0.20 0.00 0.46 0.00 0.00 57.72 58.00 1sg3 n HIS 214 Cb 0.50 -0.79 -0.13 0.00 -0.12 0.00 0.00 29.99 29.45 1sg3 n HIS 214 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1sg3 s PHE 215 N -2.56 1.32 0.18 1.57 0.08 -1.16 -5.04 117.98 112.38 1sg3 s PHE 215 Ca -0.29 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1sg3 s PHE 215 Cb 0.07 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.76 1sg3 s PHE 215 CO 0.43 0.06 0.00 0.41 -0.10 0.00 0.00 175.22 176.02 1sg3 n GLY 216 N 1.59 -2.00 3.17 4.36 0.00 -1.26 -2.12 105.19 108.93 1sg3 n GLY 216 Ca -0.19 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 1sg3 n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sg3 s SER 217 N -4.98 1.15 0.55 1.61 1.04 -1.15 -4.73 113.70 107.19 1sg3 s SER 217 Ca 0.00 -0.98 0.25 0.00 0.48 0.00 0.00 55.95 55.70 1sg3 s SER 217 Cb 0.00 0.09 1.57 0.00 0.10 0.00 0.00 66.02 67.78 1sg3 s SER 217 CO 0.00 -0.45 2.18 -0.37 0.98 0.00 0.00 173.24 175.58 1sg3 h VAL 218 N 3.03 0.68 0.00 5.02 -1.51 -1.93 -0.66 116.25 120.89 1sg3 h VAL 218 Ca -0.35 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1sg3 h VAL 218 Cb 1.17 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1sg3 h VAL 218 CO 0.64 0.04 0.00 -0.90 -1.23 0.00 0.00 177.57 176.11 1sg3 n ASP 219 N -3.99 0.00 0.21 4.19 5.75 -1.26 -2.25 116.55 119.20 1sg3 n ASP 219 Ca -0.03 -0.60 0.10 0.00 -0.01 0.00 0.00 54.79 54.26 1sg3 n ASP 219 Cb 0.13 -0.04 0.14 0.00 -1.03 0.00 0.00 41.12 40.32 1sg3 n ASP 219 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1sg3 h ASN 220 N 0.00 0.00 -0.08 -1.12 -0.26 -1.42 -3.27 115.58 109.44 1sg3 h ASN 220 Ca 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1sg3 h ASN 220 Cb 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1sg3 h ASN 220 CO 0.00 0.08 -0.07 -0.07 -1.06 0.00 0.00 177.43 176.31 1sg3 h LEU 221 N 0.00 0.31 -2.60 1.61 3.38 -1.57 -2.95 115.31 113.49 1sg3 h LEU 221 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sg3 h LEU 221 Cb 1.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1sg3 h LEU 221 CO 0.01 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.14 1sg3 n LEU 222 N -4.29 3.98 -4.96 1.67 4.77 -1.23 -2.68 117.00 114.26 1sg3 n LEU 222 Ca 0.00 -2.02 -0.23 0.00 -0.03 0.00 0.00 56.01 53.74 1sg3 n LEU 222 Cb 0.24 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1sg3 n LEU 222 CO 0.38 0.51 0.36 -0.76 -1.33 0.00 0.00 177.39 176.55 1sg3 s LEU 223 N -1.74 3.40 0.52 2.23 1.43 -1.12 -1.45 118.68 121.96 1sg3 s LEU 223 Ca 0.36 0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 1sg3 s LEU 223 Cb 0.26 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.34 1sg3 s LEU 223 CO 0.12 -0.97 1.01 -2.16 0.23 0.00 0.00 176.35 174.57 1sg3 s PRO 224 N -4.72 3.79 0.18 1.29 0.04 -1.26 -4.91 135.00 129.41 1sg3 s PRO 224 Ca 0.53 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1sg3 s PRO 224 Cb -0.10 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1sg3 s PRO 224 CO 0.39 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1sg3 n GLY 225 N -1.09 -1.89 0.46 0.56 0.00 -1.26 -4.56 105.19 97.41 1sg3 n GLY 225 Ca 0.08 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.87 1sg3 n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg3 n ARG 226 N -2.87 1.18 0.00 1.61 1.74 -1.26 -5.01 116.66 112.05 1sg3 n ARG 226 Ca -0.01 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 1sg3 n ARG 226 Cb 0.30 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1sg3 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sg3 n GLY 227 N 1.40 -0.77 0.11 -0.13 0.00 -1.26 -4.86 105.19 99.67 1sg3 n GLY 227 Ca 0.10 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 1sg3 n GLY 227 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sg3 n HIS 228 N -0.86 0.00 -3.27 1.61 -0.00 -1.26 -5.08 115.22 106.36 1sg3 n HIS 228 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1sg3 n HIS 228 Cb 0.00 -0.92 0.00 0.00 -0.12 0.00 0.00 29.99 28.95 1sg3 n HIS 228 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1sg3 n ASP 229 N -2.95 -0.20 0.08 0.26 5.68 -1.26 -5.03 116.55 113.14 1sg3 n ASP 229 Ca -0.36 -1.17 0.09 0.00 -0.50 0.00 0.00 54.79 52.85 1sg3 n ASP 229 Cb 1.03 0.34 0.41 0.00 -1.14 0.00 0.00 41.12 41.76 1sg3 n ASP 229 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1sg3 n MET 230 N -0.06 0.11 0.23 0.11 2.81 -1.26 -3.16 117.12 115.91 1sg3 n MET 230 Ca -0.01 0.40 0.12 0.00 -1.81 0.00 0.00 57.70 56.40 1sg3 n MET 230 Cb 0.06 -1.74 0.49 0.00 -0.71 0.00 0.00 33.22 31.32 1sg3 n MET 230 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sg3 h SER 231 N 0.00 0.00 -0.54 7.83 4.64 -1.97 -2.96 113.55 120.55 1sg3 h SER 231 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sg3 h SER 231 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1sg3 h SER 231 CO 0.00 0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 175.22 1sg3 n ASP 232 N -3.29 5.43 -1.30 4.97 5.75 -1.19 -4.28 116.55 122.63 1sg3 n ASP 232 Ca 0.00 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 51.92 1sg3 n ASP 232 Cb 0.41 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1sg3 n ASP 232 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sg3 n GLY 233 N 0.58 4.91 3.20 6.12 0.00 -1.12 -4.77 105.19 114.12 1sg3 n GLY 233 Ca 0.26 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1sg3 n GLY 233 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sg3 s TRP 234 N -0.04 2.85 0.05 1.61 -0.00 -0.16 -2.92 118.94 120.33 1sg3 s TRP 234 Ca 0.00 -1.34 0.04 0.00 -0.00 0.00 0.00 56.10 54.80 1sg3 s TRP 234 Cb 0.00 -1.99 -0.02 0.00 -0.00 0.00 0.00 33.47 31.46 1sg3 s TRP 234 CO 0.00 -0.69 -0.13 -2.00 -0.00 0.00 0.00 176.95 174.13 1sg3 s GLU 235 N 1.33 0.80 0.07 5.86 2.12 -0.90 -0.92 118.70 127.05 1sg3 s GLU 235 Ca 0.05 -0.81 0.07 0.00 0.36 0.00 0.00 54.97 54.64 1sg3 s GLU 235 Cb -0.14 -0.77 -0.03 0.00 0.26 0.00 0.00 34.13 33.45 1sg3 s GLU 235 CO -0.08 0.18 -0.20 0.95 -0.54 0.00 0.00 175.26 175.57 1sg3 s THR 236 N -1.07 1.60 1.03 -1.70 -4.23 -0.70 -0.45 115.64 110.12 1sg3 s THR 236 Ca -0.02 -1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.00 1sg3 s THR 236 Cb -0.09 -1.42 -0.02 0.00 1.34 0.00 0.00 72.50 72.31 1sg3 s THR 236 CO 0.01 0.07 -0.36 0.29 -0.54 0.00 0.00 174.62 174.10 1sg3 n LYS 237 N 1.55 -0.64 -2.71 3.99 5.02 -1.26 -4.20 118.16 119.91 1sg3 n LYS 237 Ca -0.18 -0.17 -0.43 0.00 -2.02 0.00 0.00 58.31 55.51 1sg3 n LYS 237 Cb 0.54 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1sg3 n LYS 237 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1sg3 s ARG 238 N -2.94 3.86 0.52 1.97 3.52 -1.26 -4.60 118.95 120.02 1sg3 s ARG 238 Ca 0.49 0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 56.79 1sg3 s ARG 238 Cb -0.11 -3.81 0.02 0.00 -1.56 0.00 0.00 34.95 29.49 1sg3 s ARG 238 CO 0.69 -1.06 0.76 -1.54 -0.81 0.00 0.00 175.30 173.35 1sg3 s SER 239 N 1.97 5.52 0.00 -2.12 1.04 -1.26 -5.04 113.70 113.81 1sg3 s SER 239 Ca 0.43 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1sg3 s SER 239 Cb -0.11 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1sg3 s SER 239 CO 0.21 -0.97 0.00 0.54 0.98 0.00 0.00 173.24 174.00 1sg3 n ARG 240 N -2.29 2.38 -1.74 4.02 5.12 -1.26 -5.04 116.66 117.85 1sg3 n ARG 240 Ca 0.05 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.55 1sg3 n ARG 240 Cb 0.59 -0.76 -0.01 0.00 -1.16 0.00 0.00 32.46 31.12 1sg3 n ARG 240 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1sg3 n GLN 241 N -1.08 2.57 -2.08 5.56 3.00 -1.26 -4.94 117.38 119.16 1sg3 n GLN 241 Ca 0.00 0.91 -0.37 0.00 -0.01 0.00 0.00 57.00 57.54 1sg3 n GLN 241 Cb 0.16 -2.66 0.02 0.00 0.00 0.00 0.00 30.24 27.76 1sg3 n GLN 241 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1sg3 s PRO 242 N -0.85 3.31 -1.67 -1.09 0.02 -1.26 -2.41 135.00 131.05 1sg3 s PRO 242 Ca 0.62 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1sg3 s PRO 242 Cb -0.52 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 31.84 1sg3 s PRO 242 CO 0.52 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1sg3 n GLY 243 N 0.49 1.56 3.81 0.52 0.00 -1.26 -4.96 105.19 105.35 1sg3 n GLY 243 Ca 0.11 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1sg3 n GLY 243 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sg3 s HIS 244 N -2.48 3.18 0.25 1.61 5.04 -1.01 -5.06 115.29 116.82 1sg3 s HIS 244 Ca 0.00 1.60 -0.13 0.00 -1.54 0.00 0.00 55.06 54.99 1sg3 s HIS 244 Cb 0.00 -2.95 -0.00 0.00 0.04 0.00 0.00 32.58 29.66 1sg3 s HIS 244 CO 0.00 -0.43 0.48 0.95 -2.34 0.00 0.00 174.74 173.41 1sg3 s THR 245 N -2.06 0.00 0.05 0.89 -4.23 -1.23 -4.36 115.64 104.70 1sg3 s THR 245 Ca 0.64 -1.39 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1sg3 s THR 245 Cb -0.13 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 1sg3 s THR 245 CO 0.17 -0.00 -0.09 -1.81 -0.54 0.00 0.00 174.62 172.34 1sg3 s ASP 246 N -3.01 1.07 0.11 3.99 1.01 0.13 -4.93 116.67 115.04 1sg3 s ASP 246 Ca 0.22 -0.60 -0.13 0.00 0.71 0.00 0.00 52.55 52.76 1sg3 s ASP 246 Cb -0.01 0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.96 1sg3 s ASP 246 CO 0.09 -0.19 0.31 -1.66 0.21 0.00 0.00 175.17 173.93 1sg3 s TRP 247 N -1.50 -0.04 -0.03 4.23 1.48 -1.26 0.96 118.94 122.79 1sg3 s TRP 247 Ca -0.07 -0.33 0.00 0.00 -1.06 0.00 0.00 56.10 54.65 1sg3 s TRP 247 Cb -0.09 0.12 0.03 0.00 -1.16 0.00 0.00 33.47 32.37 1sg3 s TRP 247 CO 0.01 -0.64 0.01 0.00 -4.06 0.00 0.00 176.95 172.26 1sg3 s ALA 248 N -3.83 0.24 -0.34 2.67 0.00 -0.12 -1.76 121.76 118.62 1sg3 s ALA 248 Ca 0.04 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1sg3 s ALA 248 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1sg3 s ALA 248 CO -0.11 -0.09 0.20 0.08 0.00 0.00 0.00 175.76 175.84 1sg3 s VAL 249 N 1.05 4.91 0.00 0.00 1.01 -0.57 -1.15 120.40 125.65 1sg3 s VAL 249 Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1sg3 s VAL 249 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1sg3 s VAL 249 CO -0.02 -0.03 0.12 -0.63 0.00 0.00 0.00 175.10 174.53 1sg3 s ILE 250 N 1.65 4.95 -0.35 2.22 1.09 0.12 -0.69 121.20 130.19 1sg3 s ILE 250 Ca 0.05 -0.36 -0.05 0.00 -1.10 0.00 0.00 60.65 59.18 1sg3 s ILE 250 Cb -0.18 -3.29 0.05 0.00 -1.06 0.00 0.00 42.46 37.98 1sg3 s ILE 250 CO 0.08 0.32 0.12 -1.58 -0.10 0.00 0.00 174.94 173.78 1sg3 s GLN 251 N -1.87 2.51 0.47 2.79 0.74 -0.42 -0.26 119.66 123.62 1sg3 s GLN 251 Ca 0.25 -1.30 -0.22 0.00 0.05 0.00 0.00 55.36 54.13 1sg3 s GLN 251 Cb -0.12 -3.46 -0.09 0.00 1.10 0.00 0.00 33.01 30.43 1sg3 s GLN 251 CO 0.16 -0.74 0.92 1.28 -0.55 0.00 0.00 175.29 176.36 1sg3 n LEU 252 N 4.76 2.46 0.00 3.68 4.77 -0.17 -2.51 117.00 129.99 1sg3 n LEU 252 Ca -0.11 0.95 0.04 0.00 -0.03 0.00 0.00 56.01 56.86 1sg3 n LEU 252 Cb 0.44 -1.33 0.26 0.00 -2.33 0.00 0.00 43.42 40.46 1sg3 n LEU 252 CO 0.32 -1.82 0.53 0.61 -1.33 0.00 0.00 177.39 175.70 1sg3 n GLY 253 N 1.31 -0.64 3.43 -0.72 0.00 -0.68 -4.61 105.19 103.28 1sg3 n GLY 253 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1sg3 n GLY 253 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sg3 s ARG 254 N -2.00 0.27 0.24 1.61 3.00 -1.26 -4.75 118.95 116.07 1sg3 s ARG 254 Ca 0.13 0.63 -0.29 0.00 -1.00 0.00 0.00 55.73 55.20 1sg3 s ARG 254 Cb 0.06 0.33 -0.15 0.00 0.00 0.00 0.00 34.95 35.19 1sg3 s ARG 254 CO 0.10 -0.08 0.95 0.39 0.00 0.00 0.00 175.30 176.66 1sg3 n GLU 255 N 4.66 1.05 -2.53 5.12 1.02 -1.26 -4.94 120.64 123.75 1sg3 n GLU 255 Ca -0.11 0.37 -0.24 0.00 -0.02 0.00 0.00 57.16 57.17 1sg3 n GLU 255 Cb 0.54 -1.70 0.09 0.00 -0.02 0.00 0.00 31.44 30.35 1sg3 n GLU 255 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1sg3 s SER 256 N -0.52 4.52 0.00 1.62 1.04 -0.07 -4.95 113.70 115.34 1sg3 s SER 256 Ca 0.63 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1sg3 s SER 256 Cb -0.78 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1sg3 s SER 256 CO 0.58 -1.73 0.00 -1.54 0.98 0.00 0.00 173.24 171.52 1sg3 n SER 257 N -2.79 0.00 -3.79 7.02 3.41 -0.91 -3.99 113.62 112.57 1sg3 n SER 257 Ca 0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.50 1sg3 n SER 257 Cb 0.60 0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 64.40 1sg3 n SER 257 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1sg3 s PHE 258 N -1.29 0.78 -0.36 7.33 5.36 -1.24 -0.40 117.98 128.16 1sg3 s PHE 258 Ca 0.00 -0.24 -0.08 0.00 -0.96 0.00 0.00 56.93 55.64 1sg3 s PHE 258 Cb 0.00 -0.86 0.04 0.00 -0.34 0.00 0.00 43.02 41.86 1sg3 s PHE 258 CO 0.00 -0.35 0.16 0.42 -1.46 0.00 0.00 175.22 173.99 1sg3 s ILE 259 N 1.94 4.13 -0.04 3.12 1.01 -0.40 -0.16 121.20 130.80 1sg3 s ILE 259 Ca 0.05 -1.07 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 1sg3 s ILE 259 Cb -0.12 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1sg3 s ILE 259 CO -0.06 -0.24 0.38 -0.08 0.00 0.00 0.00 174.94 174.95 1sg3 h GLU 260 N 8.32 -0.27 -4.07 2.79 4.81 -0.35 -2.04 114.58 123.77 1sg3 h GLU 260 Ca -0.24 0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.80 1sg3 h GLU 260 Cb 1.09 0.06 -0.22 0.00 0.63 0.00 0.00 28.75 30.31 1sg3 h GLU 260 CO 0.64 -0.18 -0.71 -1.59 -0.73 0.00 0.00 179.01 176.44 1sg3 s LYS 261 N -2.44 0.31 -0.12 1.92 -2.85 -1.03 0.10 119.74 115.63 1sg3 s LYS 261 Ca -0.04 -0.53 0.02 0.00 -1.00 0.00 0.00 55.97 54.41 1sg3 s LYS 261 Cb 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1sg3 s LYS 261 CO 0.12 -0.02 -0.19 0.42 0.10 0.00 0.00 175.35 175.79 1sg3 s ILE 262 N -1.18 2.54 -0.11 3.79 1.01 0.28 -0.44 121.20 127.08 1sg3 s ILE 262 Ca -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1sg3 s ILE 262 Cb -0.08 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1sg3 s ILE 262 CO -0.01 0.54 -0.14 -0.63 0.00 0.00 0.00 174.94 174.71 1sg3 s ILE 263 N 0.38 2.99 -0.28 2.92 1.01 0.56 -0.71 121.20 128.06 1sg3 s ILE 263 Ca -0.14 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1sg3 s ILE 263 Cb -0.17 -2.24 0.07 0.00 0.01 0.00 0.00 42.46 40.13 1sg3 s ILE 263 CO 0.07 0.54 -0.06 -0.69 0.00 0.00 0.00 174.94 174.80 1sg3 s VAL 264 N 0.16 2.29 -0.25 2.92 1.01 -0.62 0.41 120.40 126.32 1sg3 s VAL 264 Ca -0.07 -1.78 -0.12 0.00 0.00 0.00 0.00 61.98 60.01 1sg3 s VAL 264 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1sg3 s VAL 264 CO 0.05 -0.17 0.23 -0.62 0.00 0.00 0.00 175.10 174.59 1sg3 s ASP 265 N 1.09 6.16 -0.28 3.32 -1.08 0.82 -1.49 116.67 125.21 1sg3 s ASP 265 Ca -0.04 0.17 0.11 0.00 -0.52 0.00 0.00 52.55 52.27 1sg3 s ASP 265 Cb -0.20 -2.14 0.59 0.00 -1.46 0.00 0.00 42.92 39.71 1sg3 s ASP 265 CO -0.05 -0.02 1.58 0.35 0.52 0.00 0.00 175.17 177.55 1sg3 n THR 266 N 4.58 2.63 -1.57 1.71 -2.24 -0.03 0.12 114.28 119.48 1sg3 n THR 266 Ca -0.13 -2.14 -0.50 0.00 -2.27 0.00 0.00 64.05 59.02 1sg3 n THR 266 Cb 0.52 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1sg3 n THR 266 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg3 n ALA 267 N -0.71 -1.07 -0.43 6.98 0.00 -1.26 -0.72 120.51 123.30 1sg3 n ALA 267 Ca 0.34 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.26 1sg3 n ALA 267 Cb 1.14 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1sg3 n ALA 267 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sg3 n HIS 268 N 1.66 0.00 -3.38 0.00 8.25 -1.26 -4.57 115.22 115.92 1sg3 n HIS 268 Ca 0.16 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.18 1sg3 n HIS 268 Cb 0.22 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 1sg3 n HIS 268 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sg3 s PHE 269 N -3.04 3.34 -0.19 4.41 0.40 0.10 -4.60 117.98 118.40 1sg3 s PHE 269 Ca 0.00 -1.51 0.14 0.00 -0.60 0.00 0.00 56.93 54.95 1sg3 s PHE 269 Cb 0.00 -3.71 -0.21 0.00 0.51 0.00 0.00 43.02 39.60 1sg3 s PHE 269 CO 0.00 -1.01 0.01 0.54 0.70 0.00 0.00 175.22 175.46 1sg3 n ARG 270 N 5.05 0.94 0.00 0.44 1.74 -1.26 -2.18 116.66 121.39 1sg3 n ARG 270 Ca -0.10 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1sg3 n ARG 270 Cb 0.41 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1sg3 n ARG 270 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sg3 n GLY 271 N 1.97 -0.88 0.38 -0.13 0.00 -1.26 -4.74 105.19 100.53 1sg3 n GLY 271 Ca -0.32 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1sg3 n GLY 271 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sg3 n ASN 272 N -0.06 0.67 -4.79 1.61 6.94 -1.26 -5.08 115.26 113.29 1sg3 n ASN 272 Ca 0.00 -2.31 -0.33 0.00 -0.02 0.00 0.00 54.58 51.93 1sg3 n ASN 272 Cb 0.04 -0.27 0.03 0.00 -2.36 0.00 0.00 39.78 37.23 1sg3 n ASN 272 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1sg3 s PHE 273 N -0.82 2.88 0.82 -2.53 -0.12 -1.26 -1.33 117.98 115.62 1sg3 s PHE 273 Ca 0.09 1.52 -0.13 0.00 -0.05 0.00 0.00 56.93 58.36 1sg3 s PHE 273 Cb 0.08 -3.04 0.09 0.00 -0.63 0.00 0.00 43.02 39.52 1sg3 s PHE 273 CO 0.01 -1.32 1.19 -1.25 -0.05 0.00 0.00 175.22 173.80 1sg3 s PRO 274 N -4.21 1.56 0.02 1.99 0.04 -1.25 -4.65 135.00 128.49 1sg3 s PRO 274 Ca 0.64 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1sg3 s PRO 274 Cb -0.17 -1.77 -0.26 0.00 0.04 0.00 0.00 34.50 32.34 1sg3 s PRO 274 CO 0.41 -2.26 0.92 0.37 0.04 0.00 0.00 177.00 176.48 1sg3 h GLN 275 N -1.07 0.16 -3.65 4.56 4.15 -1.15 -3.41 115.11 114.71 1sg3 h GLN 275 Ca -0.46 -0.27 -0.07 0.00 0.77 0.00 0.00 58.65 58.62 1sg3 h GLN 275 Cb 1.29 0.10 -0.13 0.00 0.21 0.00 0.00 27.48 28.95 1sg3 h GLN 275 CO 0.46 0.99 -0.25 -0.06 -1.93 0.00 0.00 178.83 178.04 1sg3 s PHE 276 N -2.63 0.04 0.09 3.99 0.40 -0.68 -2.52 117.98 116.67 1sg3 s PHE 276 Ca -0.06 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 1sg3 s PHE 276 Cb 0.08 0.07 -0.01 0.00 0.51 0.00 0.00 43.02 43.67 1sg3 s PHE 276 CO 0.84 -0.63 0.16 0.96 0.70 0.00 0.00 175.22 177.25 1sg3 s ILE 277 N -3.85 0.15 -0.14 0.64 -5.25 -0.93 -1.26 121.20 110.56 1sg3 s ILE 277 Ca 0.05 -1.31 -0.13 0.00 -0.99 0.00 0.00 60.65 58.27 1sg3 s ILE 277 Cb 0.03 -1.41 0.04 0.00 2.95 0.00 0.00 42.46 44.07 1sg3 s ILE 277 CO -0.10 -0.68 0.38 0.42 -1.79 0.00 0.00 174.94 173.16 1sg3 s THR 278 N -3.88 0.00 -0.00 8.37 -4.23 -1.08 -1.47 115.64 113.35 1sg3 s THR 278 Ca 0.06 -0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1sg3 s THR 278 Cb 0.05 -0.54 -0.03 0.00 1.34 0.00 0.00 72.50 73.33 1sg3 s THR 278 CO -0.10 -0.01 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.14 1sg3 s VAL 279 N 0.12 3.09 0.21 2.29 1.01 0.34 -1.77 120.40 125.69 1sg3 s VAL 279 Ca -0.01 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1sg3 s VAL 279 Cb -0.03 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1sg3 s VAL 279 CO 0.01 0.45 -0.08 -1.61 0.00 0.00 0.00 175.10 173.87 1sg3 s GLU 280 N -1.15 1.32 0.02 2.72 2.02 -0.56 0.05 118.70 123.11 1sg3 s GLU 280 Ca 0.14 -1.62 0.04 0.00 0.02 0.00 0.00 54.97 53.54 1sg3 s GLU 280 Cb -0.11 -0.88 -0.02 0.00 0.10 0.00 0.00 34.13 33.23 1sg3 s GLU 280 CO 0.04 0.05 -0.11 0.20 0.02 0.00 0.00 175.26 175.46 1sg3 s GLY 281 N -3.31 0.61 0.04 -1.39 0.00 0.24 -1.68 107.32 101.83 1sg3 s GLY 281 Ca 0.24 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.32 1sg3 s GLY 281 CO 0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 173.10 172.51 1sg3 s LEU 283 N -1.88 2.05 0.00 0.00 2.96 -1.26 -0.59 118.68 119.97 1sg3 s LEU 283 Ca -0.08 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 53.10 1sg3 s LEU 283 Cb -0.06 -1.34 -0.27 0.00 0.50 0.00 0.00 46.19 45.03 1sg3 s LEU 283 CO -0.02 0.21 1.38 1.17 -1.32 0.00 0.00 176.35 177.77 1sg3 n LYS 284 N 3.16 0.00 0.09 1.98 3.00 -1.26 -4.80 118.16 120.33 1sg3 n LYS 284 Ca -0.18 -0.83 0.00 0.00 -0.00 0.00 0.00 58.31 57.30 1sg3 n LYS 284 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 33.25 1sg3 n LYS 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sg3 n GLY 295 N 4.67 -1.80 3.82 3.14 0.00 -1.26 -5.09 105.19 108.66 1sg3 n GLY 295 Ca 0.33 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.49 1sg3 n GLY 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sg3 s THR 296 N -1.55 4.58 0.00 2.61 -4.23 -1.26 -5.06 115.64 110.73 1sg3 s THR 296 Ca 0.00 1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 61.65 1sg3 s THR 296 Cb 0.00 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1sg3 s THR 296 CO 0.00 0.14 0.33 0.26 -0.54 0.00 0.00 174.62 174.81 1sg3 s TRP 297 N -1.60 3.64 -0.04 3.99 0.52 -1.26 -4.40 118.94 119.79 1sg3 s TRP 297 Ca 0.45 0.78 0.06 0.00 0.02 0.00 0.00 56.10 57.41 1sg3 s TRP 297 Cb -0.16 -2.14 -0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1sg3 s TRP 297 CO 0.20 0.62 -0.22 0.08 0.02 0.00 0.00 176.95 177.66 1sg3 s VAL 298 N -1.19 1.78 0.16 4.03 1.01 0.88 -4.88 120.40 122.19 1sg3 s VAL 298 Ca 0.25 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1sg3 s VAL 298 Cb -0.14 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 1sg3 s VAL 298 CO 0.13 0.50 1.25 -0.70 0.00 0.00 0.00 175.10 176.28 1sg3 s GLU 299 N -0.26 4.44 -0.04 2.72 2.56 -1.26 0.79 118.70 127.64 1sg3 s GLU 299 Ca 0.01 1.92 0.03 0.00 0.00 0.00 0.00 54.97 56.94 1sg3 s GLU 299 Cb -0.11 -3.25 -0.05 0.00 2.00 0.00 0.00 34.13 32.72 1sg3 s GLU 299 CO 0.01 -0.19 0.01 1.28 -0.56 0.00 0.00 175.26 175.81 1sg3 n LEU 300 N 2.91 0.45 -3.48 2.70 4.77 0.11 -4.87 117.00 119.58 1sg3 n LEU 300 Ca 0.06 -0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1sg3 n LEU 300 Cb 0.44 0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1sg3 n LEU 300 CO 0.57 0.18 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.88 1sg3 s VAL 301 N -2.10 -0.28 1.08 4.08 1.01 -0.93 -4.93 120.40 118.33 1sg3 s VAL 301 Ca -0.03 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1sg3 s VAL 301 Cb 0.01 -0.84 0.23 0.00 0.00 0.00 0.00 36.38 35.79 1sg3 s VAL 301 CO 0.17 -0.41 1.13 -0.83 0.00 0.00 0.00 175.10 175.15 1sg3 s GLY 302 N 2.28 1.59 -0.23 4.51 0.00 -1.26 -0.50 107.32 113.70 1sg3 s GLY 302 Ca 0.08 -0.75 -0.36 0.00 0.00 0.00 0.00 44.72 43.69 1sg3 s GLY 302 CO -0.24 0.00 1.12 0.28 0.00 0.00 0.00 173.10 174.26 1sg3 n LYS 303 N -4.37 0.00 -3.71 2.90 5.02 -1.25 -4.58 118.16 112.17 1sg3 n LYS 303 Ca 0.10 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.21 1sg3 n LYS 303 Cb 0.59 -1.22 -0.17 0.00 -0.02 0.00 0.00 35.03 34.21 1sg3 n LYS 303 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1sg3 s SER 304 N 1.40 0.72 0.23 4.39 0.01 -0.54 -4.93 113.70 114.97 1sg3 s SER 304 Ca 0.81 0.10 -0.31 0.00 1.31 0.00 0.00 55.95 57.85 1sg3 s SER 304 Cb -1.14 -0.07 -0.11 0.00 0.21 0.00 0.00 66.02 64.90 1sg3 s SER 304 CO 0.58 -0.21 1.65 -0.75 0.41 0.00 0.00 173.24 174.92 1sg3 s LYS 305 N 1.79 4.15 0.20 12.44 2.20 -1.26 -2.20 119.74 137.06 1sg3 s LYS 305 Ca -0.00 2.54 0.07 0.00 -0.36 0.00 0.00 55.97 58.22 1sg3 s LYS 305 Cb -0.12 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1sg3 s LYS 305 CO -0.03 -0.68 0.06 0.95 -0.36 0.00 0.00 175.35 175.29 1sg3 s THR 306 N 0.79 3.92 0.49 3.43 -4.23 -1.05 -4.95 115.64 114.04 1sg3 s THR 306 Ca 0.70 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.79 1sg3 s THR 306 Cb -0.48 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.32 1sg3 s THR 306 CO 0.37 -0.20 0.14 -0.83 -0.54 0.00 0.00 174.62 173.55 1sg3 s GLY 307 N -3.27 2.66 0.23 3.99 0.00 -1.26 -4.82 107.32 104.85 1sg3 s GLY 307 Ca 0.30 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.62 1sg3 s GLY 307 CO 0.21 -2.07 0.76 2.56 0.00 0.00 0.00 173.10 174.56 1sg3 s PRO 308 N -3.96 4.34 -1.35 2.90 0.04 -1.26 -4.33 135.00 131.38 1sg3 s PRO 308 Ca 0.24 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 1sg3 s PRO 308 Cb 0.02 -2.92 0.08 0.00 0.04 0.00 0.00 34.50 31.71 1sg3 s PRO 308 CO 0.13 0.41 0.55 -3.47 0.04 0.00 0.00 177.00 174.66 1sg3 n ASP 309 N 0.83 -3.91 -4.34 6.66 -0.08 -0.93 -4.96 116.55 109.83 1sg3 n ASP 309 Ca -0.02 -0.46 -0.19 0.00 -1.51 0.00 0.00 54.79 52.61 1sg3 n ASP 309 Cb 0.51 -3.21 -0.10 0.00 2.34 0.00 0.00 41.12 40.65 1sg3 n ASP 309 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1sg3 s LYS 310 N -6.10 1.32 -0.80 -0.67 2.47 -1.26 -4.55 119.74 110.15 1sg3 s LYS 310 Ca 0.44 -1.55 -0.14 0.00 -1.56 0.00 0.00 55.97 53.15 1sg3 s LYS 310 Cb -0.23 -1.18 0.21 0.00 -1.46 0.00 0.00 37.83 35.17 1sg3 s LYS 310 CO 0.54 0.21 0.75 -1.21 0.16 0.00 0.00 175.35 175.79 1sg3 s GLU 311 N -3.46 3.54 -0.30 4.03 2.02 -1.26 -0.85 118.70 122.42 1sg3 s GLU 311 Ca 0.21 -2.36 -0.29 0.00 0.02 0.00 0.00 54.97 52.55 1sg3 s GLU 311 Cb -0.02 -4.42 -0.00 0.00 0.10 0.00 0.00 34.13 29.78 1sg3 s GLU 311 CO 0.07 -1.31 1.40 -1.01 0.02 0.00 0.00 175.26 174.43 1sg3 s HIS 312 N 0.38 2.49 -0.25 1.61 3.76 -0.55 -4.89 115.29 117.83 1sg3 s HIS 312 Ca 0.17 0.76 -0.10 0.00 -0.15 0.00 0.00 55.06 55.74 1sg3 s HIS 312 Cb -0.12 -3.98 -0.04 0.00 1.11 0.00 0.00 32.58 29.54 1sg3 s HIS 312 CO -0.08 -2.06 0.15 0.08 -0.85 0.00 0.00 174.74 171.98 1sg3 s VAL 313 N 4.76 5.08 -0.29 -0.90 1.01 -1.26 -1.59 120.40 127.20 1sg3 s VAL 313 Ca 0.61 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 1sg3 s VAL 313 Cb -0.18 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1sg3 s VAL 313 CO 0.26 0.31 0.03 -0.31 0.00 0.00 0.00 175.10 175.39 1sg3 s TYR 314 N 1.40 3.16 -0.30 5.22 1.51 0.11 -4.99 117.35 123.46 1sg3 s TYR 314 Ca 0.07 -1.37 -0.29 0.00 -1.01 0.00 0.00 57.07 54.47 1sg3 s TYR 314 Cb -0.15 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.54 1sg3 s TYR 314 CO 0.07 -0.68 1.10 -1.21 -1.11 0.00 0.00 175.55 173.72 1sg3 s GLU 315 N 1.39 4.08 -0.21 -0.62 0.41 -1.26 -0.56 118.70 121.93 1sg3 s GLU 315 Ca -0.00 1.15 -0.16 0.00 -0.41 0.00 0.00 54.97 55.55 1sg3 s GLU 315 Cb -0.18 -3.74 -0.12 0.00 -1.78 0.00 0.00 34.13 28.31 1sg3 s GLU 315 CO -0.00 -0.88 -0.13 -0.89 -0.49 0.00 0.00 175.26 172.87 1sg3 n ILE 316 N 5.82 1.50 -4.04 -1.63 2.08 0.28 -4.97 119.36 118.40 1sg3 n ILE 316 Ca 0.12 -0.06 -0.32 0.00 0.56 0.00 0.00 62.75 63.06 1sg3 n ILE 316 Cb 0.47 -2.11 -0.00 0.00 -0.75 0.00 0.00 39.64 37.24 1sg3 n ILE 316 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1sg3 n ARG 317 N -4.42 -4.20 -4.36 0.38 5.12 -0.34 -4.96 116.66 103.89 1sg3 n ARG 317 Ca -0.31 0.48 -0.25 0.00 -1.93 0.00 0.00 57.85 55.84 1sg3 n ARG 317 Cb 0.64 -5.18 -0.12 0.00 -1.16 0.00 0.00 32.46 26.64 1sg3 n ARG 317 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1sg3 s LYS 318 N -6.71 1.33 -0.25 5.56 -0.14 -1.09 -5.00 119.74 113.45 1sg3 s LYS 318 Ca 0.57 -1.38 -0.09 0.00 -1.36 0.00 0.00 55.97 53.70 1sg3 s LYS 318 Cb -0.30 -1.59 -0.04 0.00 -1.68 0.00 0.00 37.83 34.22 1sg3 s LYS 318 CO 0.88 0.35 0.13 -1.54 -0.76 0.00 0.00 175.35 174.41 1sg3 s SER 319 N -2.41 5.69 -0.09 2.83 1.04 -1.26 -1.27 113.70 118.23 1sg3 s SER 319 Ca 0.15 -0.05 -0.21 0.00 0.48 0.00 0.00 55.95 56.32 1sg3 s SER 319 Cb -0.08 -2.03 0.05 0.00 0.10 0.00 0.00 66.02 64.05 1sg3 s SER 319 CO 0.07 -0.00 0.50 0.27 0.98 0.00 0.00 173.24 175.06 1sg3 s ILE 320 N 1.45 0.02 -1.12 -1.02 -0.00 0.46 -4.97 121.20 116.02 1sg3 s ILE 320 Ca 0.06 -0.16 -0.09 0.00 -0.00 0.00 0.00 60.65 60.46 1sg3 s ILE 320 Cb -0.15 -0.78 0.28 0.00 -0.00 0.00 0.00 42.46 41.81 1sg3 s ILE 320 CO 0.06 -0.09 1.16 0.54 -0.00 0.00 0.00 174.94 176.62 1sg3 n ARG 321 N 1.67 3.61 -3.97 0.37 1.74 -1.26 -2.59 116.66 116.23 1sg3 n ARG 321 Ca -0.18 -4.44 -0.33 0.00 -0.77 0.00 0.00 57.85 52.13 1sg3 n ARG 321 Cb 0.56 -2.57 -0.05 0.00 -1.02 0.00 0.00 32.46 29.38 1sg3 n ARG 321 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1sg3 s VAL 322 N -1.29 5.17 -0.03 1.55 -7.23 -1.26 -4.43 120.40 112.89 1sg3 s VAL 322 Ca 0.32 -0.28 0.04 0.00 -1.81 0.00 0.00 61.98 60.24 1sg3 s VAL 322 Cb -0.09 -3.41 -0.06 0.00 0.56 0.00 0.00 36.38 33.38 1sg3 s VAL 322 CO -0.06 0.31 0.05 -1.54 -0.31 0.00 0.00 175.10 173.54 1sg3 n SER 323 N 0.94 4.00 -4.25 4.85 3.41 0.24 -0.90 113.62 121.92 1sg3 n SER 323 Ca -0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.26 1sg3 n SER 323 Cb 0.52 0.83 -0.13 0.00 -0.26 0.00 0.00 64.21 65.17 1sg3 n SER 323 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1sg3 s HIS 324 N -2.18 1.72 0.08 7.33 3.76 -0.77 -1.00 115.29 124.24 1sg3 s HIS 324 Ca -0.02 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 54.58 1sg3 s HIS 324 Cb 0.02 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 1sg3 s HIS 324 CO 0.17 0.13 -0.21 0.08 -0.85 0.00 0.00 174.74 174.06 1sg3 s VAL 325 N -0.95 1.70 -0.08 -0.90 1.01 0.64 -1.80 120.40 120.01 1sg3 s VAL 325 Ca 0.06 -1.43 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 1sg3 s VAL 325 Cb -0.09 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1sg3 s VAL 325 CO 0.03 0.03 -0.02 -0.75 0.00 0.00 0.00 175.10 174.38 1sg3 s LYS 326 N -1.66 0.86 -0.12 2.72 2.20 -0.68 0.13 119.74 123.19 1sg3 s LYS 326 Ca 0.07 0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.57 1sg3 s LYS 326 Cb -0.10 -1.14 -0.05 0.00 -1.51 0.00 0.00 37.83 35.04 1sg3 s LYS 326 CO 0.03 -0.29 0.25 -1.17 -0.36 0.00 0.00 175.35 173.81 1sg3 s LEU 327 N 1.89 4.33 -0.14 5.43 2.96 -0.30 -1.50 118.68 131.35 1sg3 s LEU 327 Ca 0.05 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1sg3 s LEU 327 Cb -0.12 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.29 1sg3 s LEU 327 CO -0.06 0.25 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.11 1sg3 s THR 328 N -0.29 2.00 -0.19 3.68 2.01 -0.73 -0.95 115.64 121.17 1sg3 s THR 328 Ca 0.16 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 1sg3 s THR 328 Cb -0.13 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1sg3 s THR 328 CO 0.05 0.54 0.11 -0.63 -0.69 0.00 0.00 174.62 174.00 1sg3 s ILE 329 N 0.82 5.22 -0.06 1.82 -1.09 0.27 -2.64 121.20 125.53 1sg3 s ILE 329 Ca -0.07 0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1sg3 s ILE 329 Cb -0.16 -3.37 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1sg3 s ILE 329 CO -0.02 0.45 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.44 1sg3 s ILE 330 N 0.34 0.83 -1.20 2.92 1.01 -0.39 -0.70 121.20 124.01 1sg3 s ILE 330 Ca 0.07 -0.28 0.28 0.00 0.00 0.00 0.00 60.65 60.72 1sg3 s ILE 330 Cb -0.11 -0.81 0.25 0.00 0.01 0.00 0.00 42.46 41.79 1sg3 s ILE 330 CO -0.01 0.30 1.78 -0.81 0.00 0.00 0.00 174.94 176.19 1sg3 n PRO 331 N 4.09 0.21 0.00 2.79 -0.04 -1.26 -0.80 135.00 140.00 1sg3 n PRO 331 Ca -0.22 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1sg3 n PRO 331 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1sg3 n PRO 331 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sg3 n ASP 332 N -1.34 0.00 0.00 3.54 5.75 -1.25 -3.49 116.55 119.76 1sg3 n ASP 332 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1sg3 n ASP 332 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1sg3 n ASP 332 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sg3 n GLY 333 N -0.28 0.32 2.99 6.12 0.00 -1.26 -3.96 105.19 109.13 1sg3 n GLY 333 Ca 0.00 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 1sg3 n GLY 333 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg3 s GLY 334 N 0.00 0.61 0.01 -0.02 0.00 -0.44 -1.73 107.32 105.75 1sg3 s GLY 334 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.46 1sg3 s GLY 334 CO 0.00 0.06 -0.17 0.14 0.00 0.00 0.00 173.10 173.14 1sg3 s VAL 335 N 0.47 1.31 -0.20 1.40 1.01 -0.09 -4.26 120.40 120.04 1sg3 s VAL 335 Ca -0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1sg3 s VAL 335 Cb -0.12 -1.12 -0.20 0.00 0.00 0.00 0.00 36.38 34.93 1sg3 s VAL 335 CO 0.01 0.24 0.27 0.50 0.00 0.00 0.00 175.10 176.13 1sg3 h LYS 336 N 5.35 0.01 -3.33 2.72 1.63 -0.56 -0.41 116.57 121.98 1sg3 h LYS 336 Ca -0.38 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.33 1sg3 h LYS 336 Cb 1.16 0.01 -0.15 0.00 -0.60 0.00 0.00 32.23 32.65 1sg3 h LYS 336 CO 0.46 1.01 -0.15 1.03 -3.45 0.00 0.00 179.45 178.36 1sg3 s ARG 337 N -2.36 0.96 -0.05 1.90 1.81 -0.79 -3.94 118.95 116.48 1sg3 s ARG 337 Ca -0.28 -0.61 0.02 0.00 -1.72 0.00 0.00 55.73 53.14 1sg3 s ARG 337 Cb 0.05 0.42 0.01 0.00 -0.45 0.00 0.00 34.95 34.98 1sg3 s ARG 337 CO 0.61 -0.34 -0.10 -1.50 -0.68 0.00 0.00 175.30 173.28 1sg3 s ILE 338 N -3.25 0.97 0.09 1.52 2.07 -1.09 -0.12 121.20 121.39 1sg3 s ILE 338 Ca -0.00 -0.40 0.09 0.00 -1.41 0.00 0.00 60.65 58.93 1sg3 s ILE 338 Cb 0.01 -0.90 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 1sg3 s ILE 338 CO -0.08 0.31 -0.25 -0.13 -1.91 0.00 0.00 174.94 172.89 1sg3 s ARG 339 N 0.61 1.45 -0.37 3.50 1.81 0.16 -4.68 118.95 121.43 1sg3 s ARG 339 Ca -0.12 -1.19 0.01 0.00 -1.72 0.00 0.00 55.73 52.71 1sg3 s ARG 339 Cb -0.14 -1.76 0.15 0.00 -0.45 0.00 0.00 34.95 32.74 1sg3 s ARG 339 CO 0.02 0.43 0.24 0.08 -0.68 0.00 0.00 175.30 175.40 1sg3 s VAL 340 N -0.97 0.33 0.00 3.52 1.01 -1.26 -0.32 120.40 122.71 1sg3 s VAL 340 Ca 0.11 -1.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.80 1sg3 s VAL 340 Cb -0.10 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1sg3 s VAL 340 CO 0.04 -1.03 1.01 0.26 0.00 0.00 0.00 175.10 175.39 1sg3 s TRP 341 N 0.79 3.61 0.00 5.22 0.52 0.42 -1.07 118.94 128.43 1sg3 s TRP 341 Ca 0.21 1.63 0.00 0.00 0.02 0.00 0.00 56.10 57.96 1sg3 s TRP 341 Cb -0.18 -3.17 0.00 0.00 -1.15 0.00 0.00 33.47 28.97 1sg3 s TRP 341 CO -0.03 -0.21 0.00 0.41 0.02 0.00 0.00 176.95 177.13 1sg3 n GLY 342 N 2.96 0.53 0.10 0.98 0.00 -1.07 0.38 105.19 109.07 1sg3 n GLY 342 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.39 1sg3 n GLY 342 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60