#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g35 h VAL 29 N 0.00 1.03 -0.60 0.00 2.07 -1.98 -0.56 116.25 116.21 3g35 h VAL 29 Ca 0.00 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3g35 h VAL 29 Cb 0.00 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 3g35 h VAL 29 CO 0.00 0.15 0.37 1.56 0.02 0.00 0.00 177.57 179.68 3g35 h GLN 30 N 0.85 0.72 -0.50 1.57 1.08 -1.99 -0.50 115.11 116.33 3g35 h GLN 30 Ca 0.33 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.37 3g35 h GLN 30 Cb 0.14 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3g35 h GLN 30 CO -0.16 0.47 -0.15 0.37 -0.95 0.00 0.00 178.83 178.41 3g35 h GLN 31 N 0.74 0.97 -0.52 1.46 4.15 -1.89 -1.55 115.11 118.48 3g35 h GLN 31 Ca 0.24 -0.38 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 3g35 h GLN 31 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3g35 h GLN 31 CO -0.09 1.05 0.11 0.87 -1.93 0.00 0.00 178.83 178.83 3g35 h LYS 32 N 0.86 0.84 -0.42 1.69 1.57 -0.80 -0.55 116.57 119.76 3g35 h LYS 32 Ca 0.13 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3g35 h LYS 32 Cb 0.71 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3g35 h LYS 32 CO 0.05 0.82 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.59 3g35 h LEU 33 N 0.73 0.73 -0.63 2.94 3.38 -1.01 -0.59 115.31 120.85 3g35 h LEU 33 Ca 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3g35 h LEU 33 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3g35 h LEU 33 CO 0.01 0.86 0.15 0.00 0.09 0.00 0.00 178.44 179.54 3g35 h ALA 34 N 1.22 0.83 -0.43 1.53 0.00 -1.04 0.10 119.26 121.47 3g35 h ALA 34 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3g35 h ALA 34 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3g35 h ALA 34 CO 0.03 0.55 0.10 0.00 0.00 0.00 0.00 179.25 179.94 3g35 h ALA 35 N 1.05 0.57 -0.40 0.00 0.00 -0.82 -0.38 119.26 119.28 3g35 h ALA 35 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3g35 h ALA 35 Cb 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3g35 h ALA 35 CO 0.00 0.26 0.22 1.25 0.00 0.00 0.00 179.25 180.99 3g35 h LEU 36 N 0.57 0.35 -0.49 0.00 5.85 -0.97 -1.48 115.31 119.15 3g35 h LEU 36 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3g35 h LEU 36 Cb 0.33 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3g35 h LEU 36 CO 0.00 0.25 0.31 -0.08 -0.34 0.00 0.00 178.44 178.59 3g35 h GLU 37 N 0.45 0.65 -0.21 1.25 4.81 -0.75 -1.37 114.58 119.42 3g35 h GLU 37 Ca 0.16 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3g35 h GLU 37 Cb 0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3g35 h GLU 37 CO -0.09 0.45 0.14 -0.22 -0.73 0.00 0.00 179.01 178.56 3g35 h LYS 38 N 0.66 0.28 0.00 1.92 1.63 -0.76 -2.41 116.57 117.89 3g35 h LYS 38 Ca 0.18 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 3g35 h LYS 38 Cb -0.05 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3g35 h LYS 38 CO -0.04 0.18 -0.23 0.66 -3.45 0.00 0.00 179.45 176.57 3g35 h SER 39 N 0.28 0.00 0.94 4.20 4.64 -1.13 -2.90 113.55 119.59 3g35 h SER 39 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3g35 h SER 39 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3g35 h SER 39 CO -0.02 0.23 -0.48 0.77 -0.87 0.00 0.00 176.83 176.46 3g35 h SER 40 N 0.00 0.00 0.00 4.97 4.64 -0.77 -3.47 113.55 118.92 3g35 h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g35 h SER 40 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3g35 h SER 40 CO 0.03 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 3g35 n GLY 41 N 0.50 1.50 0.00 -0.77 0.00 -0.99 -4.99 105.19 100.44 3g35 n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g35 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g35 n GLY 42 N -2.00 5.61 3.08 -0.02 0.00 -1.25 -4.61 105.19 106.00 3g35 n GLY 42 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 3g35 n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g35 s ARG 43 N 1.84 2.48 -0.08 1.61 3.52 0.77 -4.80 118.95 124.29 3g35 s ARG 43 Ca 0.00 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 3g35 s ARG 43 Cb 0.00 -2.12 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 3g35 s ARG 43 CO 0.00 -0.10 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.11 3g35 s LEU 44 N 1.08 2.92 -0.08 -0.88 2.96 -1.26 -1.42 118.68 122.01 3g35 s LEU 44 Ca -0.03 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3g35 s LEU 44 Cb -0.14 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3g35 s LEU 44 CO -0.05 0.29 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.31 3g35 s GLY 45 N -0.41 0.91 -0.02 7.98 0.00 0.67 -4.55 107.32 111.90 3g35 s GLY 45 Ca 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.24 3g35 s GLY 45 CO 0.02 0.11 -0.07 0.14 0.00 0.00 0.00 173.10 173.30 3g35 s VAL 46 N 0.73 0.63 -0.05 1.40 1.01 0.12 -0.39 120.40 123.85 3g35 s VAL 46 Ca -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 3g35 s VAL 46 Cb -0.16 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.68 3g35 s VAL 46 CO 0.03 0.20 0.03 0.00 0.00 0.00 0.00 175.10 175.36 3g35 s ALA 47 N 0.20 0.42 -0.11 5.51 0.00 -0.66 -0.85 121.76 126.28 3g35 s ALA 47 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 3g35 s ALA 47 Cb -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3g35 s ALA 47 CO 0.00 -0.40 -0.06 -1.17 0.00 0.00 0.00 175.76 174.13 3g35 s LEU 48 N 1.89 3.17 -0.15 0.00 2.96 0.05 -0.76 118.68 125.83 3g35 s LEU 48 Ca 0.02 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3g35 s LEU 48 Cb -0.12 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 3g35 s LEU 48 CO -0.04 0.27 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.47 3g35 s ILE 49 N -0.23 2.56 -0.41 6.68 1.01 0.10 -1.80 121.20 129.11 3g35 s ILE 49 Ca 0.03 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 3g35 s ILE 49 Cb -0.13 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.29 3g35 s ILE 49 CO 0.03 0.52 0.33 -0.62 0.00 0.00 0.00 174.94 175.20 3g35 s ASP 50 N 0.80 6.13 0.00 3.58 -1.08 0.13 -1.05 116.67 125.17 3g35 s ASP 50 Ca -0.06 -0.80 0.23 0.00 -0.52 0.00 0.00 52.55 51.40 3g35 s ASP 50 Cb -0.15 -2.17 1.16 0.00 -1.46 0.00 0.00 42.92 40.30 3g35 s ASP 50 CO -0.00 -0.46 1.75 0.35 0.52 0.00 0.00 175.17 177.32 3g35 n THR 51 N 5.22 0.27 -0.03 1.71 -2.24 -0.78 -0.48 114.28 117.94 3g35 n THR 51 Ca -0.10 0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 3g35 n THR 51 Cb 0.47 -0.69 0.36 0.00 -2.10 0.00 0.00 70.33 68.38 3g35 n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g35 h ALA 52 N 3.10 1.58 0.00 6.98 0.00 -1.83 -3.38 119.26 125.71 3g35 h ALA 52 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g35 h ALA 52 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g35 h ALA 52 CO 0.00 0.35 -0.04 -0.40 0.00 0.00 0.00 179.25 179.16 3g35 n ASP 53 N -4.42 0.00 -0.93 0.00 5.68 -1.13 -5.02 116.55 110.72 3g35 n ASP 53 Ca 0.03 -1.08 -0.12 0.00 -0.50 0.00 0.00 54.79 53.12 3g35 n ASP 53 Cb 0.10 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.01 3g35 n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3g35 n ASN 54 N 0.00 -5.11 -4.77 -1.12 3.02 0.36 -4.98 115.26 102.67 3g35 n ASN 54 Ca 0.00 0.30 -0.40 0.00 -0.03 0.00 0.00 54.58 54.45 3g35 n ASN 54 Cb 0.52 -3.68 -0.00 0.00 -0.61 0.00 0.00 39.78 36.00 3g35 n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g35 s THR 55 N -2.24 2.45 0.03 3.41 2.01 -1.17 -4.79 115.64 115.34 3g35 s THR 55 Ca 0.00 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.49 3g35 s THR 55 Cb 0.00 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 3g35 s THR 55 CO 0.00 0.08 -0.21 -1.10 -0.69 0.00 0.00 174.62 172.70 3g35 s GLN 56 N -2.14 1.49 -0.14 4.92 -0.21 -1.26 -0.70 119.66 121.62 3g35 s GLN 56 Ca 0.55 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 55.05 3g35 s GLN 56 Cb -0.41 -1.56 0.01 0.00 1.00 0.00 0.00 33.01 32.05 3g35 s GLN 56 CO 0.54 0.41 -0.19 0.08 -2.12 0.00 0.00 175.29 174.00 3g35 s VAL 57 N -0.72 1.86 -0.02 1.09 1.01 -0.75 -4.98 120.40 117.91 3g35 s VAL 57 Ca 0.08 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3g35 s VAL 57 Cb -0.09 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3g35 s VAL 57 CO 0.01 0.51 -0.21 -0.76 0.00 0.00 0.00 175.10 174.65 3g35 s LEU 59 N 1.01 2.04 -0.11 3.92 1.43 -1.26 -0.77 118.68 124.93 3g35 s LEU 59 Ca -0.04 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3g35 s LEU 59 Cb -0.15 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.01 3g35 s LEU 59 CO -0.05 0.26 0.04 -0.47 0.23 0.00 0.00 176.35 176.36 3g35 s TYR 60 N -0.47 0.52 -1.53 0.29 5.04 -0.03 -4.73 117.35 116.44 3g35 s TYR 60 Ca 0.07 -0.25 -0.14 0.00 -2.44 0.00 0.00 57.07 54.32 3g35 s TYR 60 Cb -0.08 -0.76 0.11 0.00 0.35 0.00 0.00 41.96 41.57 3g35 s TYR 60 CO -0.01 -0.39 0.80 0.54 -1.34 0.00 0.00 175.55 175.15 3g35 n ARG 61 N 5.18 -4.23 0.29 4.97 1.74 -1.26 -0.70 116.66 122.66 3g35 n ARG 61 Ca -0.07 0.50 0.16 0.00 -0.77 0.00 0.00 57.85 57.68 3g35 n ARG 61 Cb 0.49 -5.30 0.90 0.00 -1.02 0.00 0.00 32.46 27.53 3g35 n ARG 61 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3g35 h GLY 62 N -1.61 0.00 -0.91 -0.13 0.00 -1.85 -2.47 103.07 96.11 3g35 h GLY 62 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3g35 h GLY 62 CO 0.67 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.43 3g35 n ASP 63 N -3.53 2.82 -4.86 0.19 8.00 -1.26 -1.32 116.55 116.59 3g35 n ASP 63 Ca -0.02 -2.27 -0.34 0.00 0.71 0.00 0.00 54.79 52.87 3g35 n ASP 63 Cb 0.16 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 3g35 n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3g35 s GLU 64 N -1.48 3.91 0.24 -1.24 2.02 -0.93 -4.97 118.70 116.24 3g35 s GLU 64 Ca 0.22 0.41 -0.28 0.00 0.02 0.00 0.00 54.97 55.33 3g35 s GLU 64 Cb 0.14 -2.77 -0.09 0.00 0.10 0.00 0.00 34.13 31.52 3g35 s GLU 64 CO 0.10 0.38 0.91 1.03 0.02 0.00 0.00 175.26 177.69 3g35 s ARG 65 N -2.42 4.76 0.05 1.61 0.52 -1.26 -4.12 118.95 118.09 3g35 s ARG 65 Ca 0.43 1.40 0.03 0.00 -0.52 0.00 0.00 55.73 57.07 3g35 s ARG 65 Cb -0.13 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 3g35 s ARG 65 CO 0.20 0.50 -0.10 -0.06 0.02 0.00 0.00 175.30 175.85 3g35 s PHE 66 N -1.24 0.88 0.09 -0.53 0.40 -0.17 -4.97 117.98 112.45 3g35 s PHE 66 Ca 0.41 -0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 55.99 3g35 s PHE 66 Cb -0.24 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 42.69 3g35 s PHE 66 CO 0.30 -0.02 1.48 -2.14 0.70 0.00 0.00 175.22 175.53 3g35 s PRO 67 N -1.49 4.27 0.26 0.24 0.02 -1.26 -2.13 135.00 134.90 3g35 s PRO 67 Ca -0.06 2.15 0.06 0.00 0.02 0.00 0.00 61.00 63.18 3g35 s PRO 67 Cb -0.09 -3.38 0.32 0.00 0.02 0.00 0.00 34.50 31.38 3g35 s PRO 67 CO 0.01 -0.56 1.61 0.52 -0.33 0.00 0.00 177.00 178.25 3g35 h MET 68 N 7.34 0.19 0.00 5.54 2.86 -1.55 -3.48 114.93 125.84 3g35 h MET 68 Ca -0.41 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 3g35 h MET 68 Cb 1.20 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3g35 h MET 68 CO 0.89 0.70 0.00 0.00 1.06 0.00 0.00 176.91 179.57 3g35 n SER 70 N -1.34 0.00 0.31 0.00 7.64 -1.26 -1.71 113.62 117.26 3g35 n SER 70 Ca 0.00 -0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.08 3g35 n SER 70 Cb 0.00 -0.24 0.99 0.00 -1.01 0.00 0.00 64.21 63.95 3g35 n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3g35 h THR 71 N 0.00 0.05 0.00 0.44 1.35 -1.44 -1.03 112.91 112.29 3g35 h THR 71 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3g35 h THR 71 Cb 0.11 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3g35 h THR 71 CO 0.00 0.01 0.00 0.77 -0.25 0.00 0.00 175.52 176.05 3g35 h SER 72 N 0.00 0.00 0.07 5.36 4.64 -1.50 -2.82 113.55 119.30 3g35 h SER 72 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3g35 h SER 72 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3g35 h SER 72 CO 0.00 0.00 -0.05 0.11 -0.87 0.00 0.00 176.83 176.02 3g35 h LYS 73 N 0.00 0.00 -0.52 4.77 1.57 -1.41 -1.91 116.57 119.07 3g35 h LYS 73 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3g35 h LYS 73 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3g35 h LYS 73 CO 0.00 0.05 0.29 0.28 -0.57 0.00 0.00 179.45 179.50 3g35 h VAL 74 N 0.00 1.17 -0.57 0.50 2.07 -1.70 -1.26 116.25 116.46 3g35 h VAL 74 Ca -0.00 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 3g35 h VAL 74 Cb 0.10 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3g35 h VAL 74 CO 0.01 0.18 0.01 -0.03 0.02 0.00 0.00 177.57 177.76 3g35 h MET 75 N 0.70 0.99 -0.21 1.57 1.85 -1.55 -0.41 114.93 117.87 3g35 h MET 75 Ca 0.18 -0.30 -0.02 0.00 -0.61 0.00 0.00 59.70 58.95 3g35 h MET 75 Cb 0.04 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 3g35 h MET 75 CO -0.03 0.97 0.04 0.00 -0.40 0.00 0.00 176.91 177.48 3g35 h ALA 76 N 1.09 0.28 -0.75 0.39 0.00 -1.35 -1.20 119.26 117.72 3g35 h ALA 76 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3g35 h ALA 76 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3g35 h ALA 76 CO 0.03 -0.05 0.35 0.00 0.00 0.00 0.00 179.25 179.58 3g35 h ALA 77 N 0.84 0.97 -0.53 0.00 0.00 -1.13 -2.34 119.26 117.07 3g35 h ALA 77 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3g35 h ALA 77 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3g35 h ALA 77 CO 0.00 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.90 3g35 h ALA 78 N 1.18 1.20 -0.59 0.00 0.00 -0.95 -0.93 119.26 119.16 3g35 h ALA 78 Ca 0.26 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3g35 h ALA 78 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3g35 h ALA 78 CO -0.03 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 3g35 h ALA 79 N 1.34 0.84 -0.60 0.00 0.00 -0.84 0.17 119.26 120.16 3g35 h ALA 79 Ca 0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3g35 h ALA 79 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3g35 h ALA 79 CO 0.00 0.67 -0.00 0.28 0.00 0.00 0.00 179.25 180.20 3g35 h VAL 80 N 0.96 1.26 -0.99 0.00 2.07 -1.13 -1.20 116.25 117.22 3g35 h VAL 80 Ca 0.17 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3g35 h VAL 80 Cb 0.58 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3g35 h VAL 80 CO 0.03 0.42 0.65 -0.07 0.02 0.00 0.00 177.57 178.63 3g35 h LEU 81 N 0.97 1.12 -0.63 2.57 3.38 -0.78 -0.87 115.31 121.06 3g35 h LEU 81 Ca 0.17 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3g35 h LEU 81 Cb 0.56 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3g35 h LEU 81 CO 0.03 0.79 0.32 0.50 0.09 0.00 0.00 178.44 180.17 3g35 h LYS 82 N 1.31 0.90 -0.55 1.13 1.63 -0.47 -1.98 116.57 118.55 3g35 h LYS 82 Ca 0.38 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3g35 h LYS 82 Cb -0.10 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.34 3g35 h LYS 82 CO -0.10 0.70 0.34 1.96 -3.45 0.00 0.00 179.45 178.91 3g35 h GLN 83 N 0.86 0.73 0.00 1.90 4.20 -0.54 -2.15 115.11 120.11 3g35 h GLN 83 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3g35 h GLN 83 Cb 0.09 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3g35 h GLN 83 CO -0.03 0.51 0.00 -1.13 -0.67 0.00 0.00 178.83 177.50 3g35 n SER 84 N -4.43 0.36 0.18 1.46 3.41 -0.40 -2.10 113.62 112.10 3g35 n SER 84 Ca 0.05 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.29 3g35 n SER 84 Cb 0.07 -0.67 0.32 0.00 -0.26 0.00 0.00 64.21 63.67 3g35 n SER 84 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3g35 h GLU 85 N 0.00 0.00 0.00 4.33 5.08 -1.23 -3.19 114.58 119.56 3g35 h GLU 85 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g35 h GLU 85 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3g35 h GLU 85 CO 0.00 0.43 -0.72 0.25 -1.00 0.00 0.00 179.01 177.97 3g35 n THR 86 N -3.80 0.00 -3.87 1.13 -2.24 -0.97 -4.69 114.28 99.85 3g35 n THR 86 Ca -0.01 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 3g35 n THR 86 Cb 0.49 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 69.45 3g35 n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g35 s GLN 87 N -2.23 1.57 0.48 -0.78 -0.21 -0.89 -5.00 119.66 112.59 3g35 s GLN 87 Ca 0.03 -2.17 0.32 0.00 0.02 0.00 0.00 55.36 53.56 3g35 s GLN 87 Cb 0.09 -2.87 1.55 0.00 1.00 0.00 0.00 33.01 32.78 3g35 s GLN 87 CO 0.49 -1.09 1.98 0.87 -2.12 0.00 0.00 175.29 175.42 3g35 h LYS 88 N 6.89 0.00 -0.26 2.91 1.79 -1.83 -1.37 116.57 124.70 3g35 h LYS 88 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3g35 h LYS 88 Cb 0.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3g35 h LYS 88 CO 0.58 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.99 3g35 n GLN 89 N -2.75 2.37 -0.34 3.15 1.13 -1.26 -4.63 117.38 115.05 3g35 n GLN 89 Ca -0.00 -2.04 -0.01 0.00 -1.94 0.00 0.00 57.00 53.00 3g35 n GLN 89 Cb 0.17 -1.49 0.12 0.00 0.11 0.00 0.00 30.24 29.15 3g35 n GLN 89 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3g35 h LEU 90 N 4.26 1.01 -1.52 1.08 5.85 -1.56 -1.52 115.31 122.91 3g35 h LEU 90 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3g35 h LEU 90 Cb 0.93 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3g35 h LEU 90 CO 0.00 0.70 0.00 -0.07 -0.34 0.00 0.00 178.44 178.73 3g35 h LEU 91 N 1.18 0.00 -0.56 2.25 3.38 -1.82 -1.32 115.31 118.42 3g35 h LEU 91 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3g35 h LEU 91 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3g35 h LEU 91 CO -0.11 0.00 -0.17 0.59 0.09 0.00 0.00 178.44 178.85 3g35 n ASN 92 N -2.74 1.03 -4.68 -0.43 3.02 -0.58 -0.97 115.26 109.92 3g35 n ASN 92 Ca 0.00 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 3g35 n ASN 92 Cb 0.21 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 3g35 n ASN 92 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3g35 s GLN 93 N -2.36 4.24 0.36 3.52 0.74 -0.50 -4.79 119.66 120.87 3g35 s GLN 93 Ca 0.29 2.10 -0.26 0.00 0.05 0.00 0.00 55.36 57.54 3g35 s GLN 93 Cb 0.20 -3.66 -0.09 0.00 1.10 0.00 0.00 33.01 30.56 3g35 s GLN 93 CO 0.46 -0.67 1.07 -1.25 -0.55 0.00 0.00 175.29 174.35 3g35 s PRO 94 N 2.78 4.30 -0.07 1.67 0.04 -1.26 -1.65 135.00 140.80 3g35 s PRO 94 Ca 0.68 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.34 3g35 s PRO 94 Cb -0.34 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.48 3g35 s PRO 94 CO 0.28 -0.04 -0.13 0.08 0.04 0.00 0.00 177.00 177.23 3g35 s VAL 95 N -1.51 1.19 0.23 -0.36 1.01 0.44 -4.94 120.40 116.46 3g35 s VAL 95 Ca 0.54 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3g35 s VAL 95 Cb -0.25 -1.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 3g35 s VAL 95 CO 0.32 0.37 1.33 -1.61 0.00 0.00 0.00 175.10 175.51 3g35 s GLU 96 N 0.73 4.37 -0.30 2.72 2.02 -1.26 -1.27 118.70 125.71 3g35 s GLU 96 Ca -0.13 2.12 -0.04 0.00 0.02 0.00 0.00 54.97 56.93 3g35 s GLU 96 Cb -0.16 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 30.94 3g35 s GLU 96 CO 0.03 -0.27 0.04 0.42 0.02 0.00 0.00 175.26 175.50 3g35 s ILE 97 N -0.08 3.45 0.13 -1.63 -1.09 -0.28 -4.92 121.20 116.78 3g35 s ILE 97 Ca 0.56 -1.05 0.02 0.00 -2.23 0.00 0.00 60.65 57.95 3g35 s ILE 97 Cb -0.38 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 3g35 s ILE 97 CO 0.41 -0.01 0.25 -0.54 -1.23 0.00 0.00 174.94 173.81 3g35 s LYS 98 N 1.38 3.35 0.34 2.79 1.02 -1.26 0.03 119.74 127.39 3g35 s LYS 98 Ca -0.01 -0.61 0.10 0.00 0.02 0.00 0.00 55.97 55.47 3g35 s LYS 98 Cb -0.18 -2.93 0.86 0.00 -0.52 0.00 0.00 37.83 35.05 3g35 s LYS 98 CO 0.00 0.53 1.80 -1.35 -0.92 0.00 0.00 175.35 175.41 3g35 h PRO 99 N 2.37 0.63 0.00 -1.68 0.11 -1.98 0.50 132.00 131.95 3g35 h PRO 99 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3g35 h PRO 99 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3g35 h PRO 99 CO 0.69 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.90 3g35 h ALA 100 N 1.63 1.00 0.00 -0.75 0.00 -2.04 -2.72 119.26 116.38 3g35 h ALA 100 Ca 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 3g35 h ALA 100 Cb 1.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3g35 h ALA 100 CO -0.32 0.00 -0.20 -0.44 0.00 0.00 0.00 179.25 178.30 3g35 h ASP 101 N 0.00 0.00 -3.20 0.00 3.32 -1.28 -3.45 116.42 111.81 3g35 h ASP 101 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3g35 h ASP 101 Cb 0.33 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.93 3g35 h ASP 101 CO 0.00 0.18 0.77 -0.76 -1.72 0.00 0.00 179.24 177.71 3g35 s LEU 102 N -6.28 4.38 0.00 1.55 1.43 -1.03 -4.82 118.68 113.91 3g35 s LEU 102 Ca 0.06 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 3g35 s LEU 102 Cb 0.06 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3g35 s LEU 102 CO 0.70 -0.70 0.00 1.33 0.23 0.00 0.00 176.35 177.90 3g35 n VAL 103 N 2.98 0.00 1.01 -1.59 0.24 -1.26 -5.05 118.33 114.66 3g35 n VAL 103 Ca 0.09 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.50 3g35 n VAL 103 Cb 0.40 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.78 3g35 n VAL 103 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3g35 n ASN 104 N 0.00 1.92 -3.18 -1.34 6.94 -1.26 -4.77 115.26 113.56 3g35 n ASN 104 Ca 0.00 -1.45 0.01 0.00 -0.02 0.00 0.00 54.58 53.12 3g35 n ASN 104 Cb 0.00 0.49 -0.01 0.00 -2.36 0.00 0.00 39.78 37.90 3g35 n ASN 104 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3g35 s TYR 105 N -2.51 -1.71 -0.37 -2.53 6.14 -1.26 -5.07 117.35 110.04 3g35 s TYR 105 Ca 0.18 0.81 0.14 0.00 0.64 0.00 0.00 57.07 58.84 3g35 s TYR 105 Cb 0.18 0.25 0.43 0.00 0.42 0.00 0.00 41.96 43.24 3g35 s TYR 105 CO 0.59 -1.09 0.95 0.09 0.64 0.00 0.00 175.55 176.73 3g35 n ASN 106 N 5.22 2.20 0.18 4.32 3.02 -1.26 -0.70 115.26 128.23 3g35 n ASN 106 Ca 0.06 -3.02 0.09 0.00 -0.03 0.00 0.00 54.58 51.67 3g35 n ASN 106 Cb 0.54 -0.53 0.60 0.00 -0.61 0.00 0.00 39.78 39.78 3g35 n ASN 106 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3g35 h PRO 107 N 2.91 0.11 0.00 3.52 0.13 -1.94 -1.36 132.00 135.38 3g35 h PRO 107 Ca 0.03 -0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.73 3g35 h PRO 107 Cb 1.06 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.10 3g35 h PRO 107 CO 0.59 0.07 -2.34 -0.89 -0.23 0.00 0.00 178.00 175.20 3g35 n ILE 108 N -4.51 1.53 0.17 -3.56 2.08 -1.26 -4.55 119.36 109.26 3g35 n ILE 108 Ca -0.00 -0.38 0.06 0.00 0.56 0.00 0.00 62.75 62.99 3g35 n ILE 108 Cb 0.14 -1.82 0.55 0.00 -0.75 0.00 0.00 39.64 37.77 3g35 n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g35 h ALA 109 N -0.72 1.87 0.00 -1.39 0.00 -1.93 -1.85 119.26 115.24 3g35 h ALA 109 Ca -0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3g35 h ALA 109 Cb 1.64 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3g35 h ALA 109 CO -0.32 0.11 -0.06 1.05 0.00 0.00 0.00 179.25 180.03 3g35 h GLU 110 N 0.19 0.00 0.00 0.00 4.11 -1.49 -1.07 114.58 116.33 3g35 h GLU 110 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3g35 h GLU 110 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3g35 h GLU 110 CO -0.01 0.06 0.00 0.87 0.07 0.00 0.00 179.01 180.00 3g35 h LYS 111 N 0.00 0.00 -0.21 1.06 1.79 -1.59 -3.25 116.57 114.37 3g35 h LYS 111 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3g35 h LYS 111 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3g35 h LYS 111 CO 0.01 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.10 3g35 n HIS 112 N -3.01 0.39 -1.90 -1.35 8.25 -0.42 -5.01 115.22 112.17 3g35 n HIS 112 Ca 0.02 -0.61 -0.40 0.00 -0.26 0.00 0.00 57.72 56.46 3g35 n HIS 112 Cb 0.35 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3g35 n HIS 112 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g35 s VAL 113 N -1.49 2.29 -1.74 1.59 0.11 -1.15 -0.76 120.40 119.25 3g35 s VAL 113 Ca 0.21 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 3g35 s VAL 113 Cb 0.14 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 3g35 s VAL 113 CO 0.09 0.05 0.00 0.59 -3.33 0.00 0.00 175.10 172.50 3g35 n ASN 114 N 0.12 -5.20 0.00 3.54 3.02 0.10 -4.93 115.26 111.91 3g35 n ASN 114 Ca 0.03 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 3g35 n ASN 114 Cb 0.42 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 3g35 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g35 n GLY 115 N -0.66 5.41 3.12 7.41 0.00 0.06 -4.99 105.19 115.54 3g35 n GLY 115 Ca -0.16 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 3g35 n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g35 s THR 116 N 1.44 0.40 0.02 2.61 -4.23 -1.24 -1.13 115.64 113.51 3g35 s THR 116 Ca 0.00 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 3g35 s THR 116 Cb 0.00 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 3g35 s THR 116 CO 0.00 -0.95 -0.11 -0.04 -0.54 0.00 0.00 174.62 172.98 3g35 s MET 117 N -3.88 0.78 0.72 3.99 -1.94 -0.39 -4.91 119.30 113.66 3g35 s MET 117 Ca 0.09 -0.57 -0.11 0.00 -1.71 0.00 0.00 55.69 53.39 3g35 s MET 117 Cb 0.07 -0.74 0.02 0.00 2.01 0.00 0.00 34.83 36.19 3g35 s MET 117 CO -0.08 0.19 1.07 0.95 -0.01 0.00 0.00 175.02 177.14 3g35 s THR 118 N -0.65 3.74 0.45 2.05 -4.23 -1.26 -0.42 115.64 115.31 3g35 s THR 118 Ca 0.01 0.56 0.11 0.00 -1.18 0.00 0.00 61.69 61.19 3g35 s THR 118 Cb -0.06 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.64 3g35 s THR 118 CO 0.00 -0.74 2.07 -0.07 -0.54 0.00 0.00 174.62 175.34 3g35 h LEU 119 N -0.77 0.25 -0.39 4.79 3.38 -1.24 0.58 115.31 121.92 3g35 h LEU 119 Ca -0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3g35 h LEU 119 Cb 1.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3g35 h LEU 119 CO 0.59 0.22 0.19 0.00 0.09 0.00 0.00 178.44 179.54 3g35 h ALA 120 N 1.82 0.50 -0.62 1.53 0.00 -1.35 -0.70 119.26 120.45 3g35 h ALA 120 Ca 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3g35 h ALA 120 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3g35 h ALA 120 CO -0.01 0.06 0.11 0.93 0.00 0.00 0.00 179.25 180.35 3g35 h GLU 121 N 0.49 0.99 -0.52 0.00 5.08 -1.53 -1.31 114.58 117.78 3g35 h GLU 121 Ca 0.13 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 3g35 h GLU 121 Cb 0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3g35 h GLU 121 CO -0.02 0.91 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.81 3g35 h LEU 122 N 0.94 0.92 -0.23 1.33 3.38 -0.83 0.20 115.31 121.02 3g35 h LEU 122 Ca 0.19 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3g35 h LEU 122 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3g35 h LEU 122 CO 0.01 1.01 0.13 0.28 0.09 0.00 0.00 178.44 179.96 3g35 h SER 123 N 0.80 0.28 -0.72 -0.43 0.02 -0.87 -0.32 113.55 112.33 3g35 h SER 123 Ca 0.14 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3g35 h SER 123 Cb 0.56 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3g35 h SER 123 CO 0.03 0.27 0.20 0.00 -1.14 0.00 0.00 176.83 176.20 3g35 h ALA 124 N 1.02 1.00 -0.38 3.77 0.00 -1.16 -0.84 119.26 122.66 3g35 h ALA 124 Ca 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3g35 h ALA 124 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3g35 h ALA 124 CO -0.01 0.66 0.02 0.00 0.00 0.00 0.00 179.25 179.92 3g35 h ALA 125 N 1.13 0.51 -0.31 0.00 0.00 -0.75 0.12 119.26 119.96 3g35 h ALA 125 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3g35 h ALA 125 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3g35 h ALA 125 CO -0.00 0.26 0.15 0.00 0.00 0.00 0.00 179.25 179.66 3g35 h ALA 126 N 0.89 0.40 -0.01 0.00 0.00 -0.91 -1.82 119.26 117.81 3g35 h ALA 126 Ca 0.11 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3g35 h ALA 126 Cb 0.43 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3g35 h ALA 126 CO 0.01 -0.03 -0.48 -0.07 0.00 0.00 0.00 179.25 178.68 3g35 h LEU 127 N 0.37 0.45 0.00 0.00 3.38 -1.06 -2.21 115.31 116.23 3g35 h LEU 127 Ca 0.11 -0.75 -0.14 0.00 0.09 0.00 0.00 57.88 57.19 3g35 h LEU 127 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3g35 h LEU 127 CO -0.01 1.13 -1.61 0.00 0.09 0.00 0.00 178.44 178.04 3g35 n GLN 128 N -4.31 0.64 0.00 1.13 6.02 0.40 -4.24 117.38 117.02 3g35 n GLN 128 Ca -0.10 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 56.99 3g35 n GLN 128 Cb 0.61 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 3g35 n GLN 128 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3g35 n TYR 129 N -2.71 0.00 -3.04 1.08 4.02 -0.85 -1.47 117.16 114.20 3g35 n TYR 129 Ca -0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.57 3g35 n TYR 129 Cb 0.79 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.15 3g35 n TYR 129 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3g35 n SER 130 N -0.66 -5.96 -4.66 7.72 2.88 -0.74 -4.93 113.62 107.27 3g35 n SER 130 Ca 0.01 -0.30 -0.42 0.00 -1.33 0.00 0.00 58.87 56.83 3g35 n SER 130 Cb 0.05 -4.76 -0.03 0.00 -0.75 0.00 0.00 64.21 58.73 3g35 n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3g35 s ASP 131 N -2.79 6.72 0.23 -3.46 -1.08 -0.88 -4.92 116.67 110.50 3g35 s ASP 131 Ca 0.32 2.15 0.05 0.00 -0.52 0.00 0.00 52.55 54.55 3g35 s ASP 131 Cb -0.14 -2.54 0.22 0.00 -1.46 0.00 0.00 42.92 39.00 3g35 s ASP 131 CO 0.39 -0.89 1.53 0.78 0.52 0.00 0.00 175.17 177.51 3g35 h ASN 132 N 9.18 0.20 -0.39 -0.34 2.35 -1.27 -2.09 115.58 123.23 3g35 h ASN 132 Ca -0.37 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.17 3g35 h ASN 132 Cb 1.17 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3g35 h ASN 132 CO 0.95 0.80 -0.09 0.74 -1.65 0.00 0.00 177.43 178.19 3g35 h THR 133 N 0.12 1.27 -0.37 2.81 2.02 -1.88 -1.58 112.91 115.30 3g35 h THR 133 Ca -0.01 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.04 3g35 h THR 133 Cb 1.18 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3g35 h THR 133 CO 0.10 0.39 0.16 0.00 0.37 0.00 0.00 175.52 176.54 3g35 h ALA 134 N 0.84 0.45 -0.68 6.16 0.00 -1.86 -1.77 119.26 122.39 3g35 h ALA 134 Ca 0.10 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3g35 h ALA 134 Cb 0.60 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3g35 h ALA 134 CO 0.04 -0.21 0.38 1.98 0.00 0.00 0.00 179.25 181.43 3g35 h MET 135 N 0.34 0.68 -0.67 0.00 -1.53 -1.25 -1.71 114.93 110.79 3g35 h MET 135 Ca 0.16 -0.04 0.04 0.00 -3.44 0.00 0.00 59.70 56.42 3g35 h MET 135 Cb 0.10 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 30.96 3g35 h MET 135 CO -0.13 0.45 0.44 -0.91 0.14 0.00 0.00 176.91 176.90 3g35 h ASN 136 N 0.70 0.68 -0.04 1.39 2.35 -0.59 -0.09 115.58 119.97 3g35 h ASN 136 Ca 0.31 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 3g35 h ASN 136 Cb 0.19 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3g35 h ASN 136 CO -0.19 0.46 -0.41 0.11 -1.65 0.00 0.00 177.43 175.75 3g35 h LYS 137 N 0.78 0.56 -0.36 0.81 1.79 -0.60 -0.88 116.57 118.67 3g35 h LYS 137 Ca 0.27 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3g35 h LYS 137 Cb 0.10 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3g35 h LYS 137 CO -0.08 0.88 0.14 -0.07 -1.08 0.00 0.00 179.45 179.24 3g35 h LEU 138 N 0.46 0.49 -0.54 2.94 3.38 -0.48 -1.30 115.31 120.28 3g35 h LEU 138 Ca 0.04 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3g35 h LEU 138 Cb 0.92 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3g35 h LEU 138 CO 0.08 0.52 0.32 0.40 0.09 0.00 0.00 178.44 179.85 3g35 h ILE 139 N 0.43 1.04 -0.69 1.22 2.04 -0.86 -2.23 117.51 118.46 3g35 h ILE 139 Ca 0.12 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3g35 h ILE 139 Cb 0.18 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3g35 h ILE 139 CO -0.01 0.11 0.23 0.00 0.00 0.00 0.00 178.15 178.48 3g35 h ALA 140 N 1.25 1.09 0.00 1.87 0.00 -1.03 -0.15 119.26 122.29 3g35 h ALA 140 Ca 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g35 h ALA 140 Cb 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3g35 h ALA 140 CO -0.11 0.63 -0.03 0.37 0.00 0.00 0.00 179.25 180.11 3g35 h GLN 141 N 1.02 0.00 -0.17 0.00 5.75 -0.74 -1.82 115.11 119.15 3g35 h GLN 141 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3g35 h GLN 141 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3g35 h GLN 141 CO -0.01 0.03 0.00 1.28 -2.65 0.00 0.00 178.83 177.48 3g35 n LEU 142 N -4.06 2.45 0.00 -2.39 4.77 -0.58 -4.93 117.00 112.25 3g35 n LEU 142 Ca -0.03 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3g35 n LEU 142 Cb 0.11 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3g35 n LEU 142 CO 0.30 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3g35 n GLY 143 N 1.30 0.65 0.00 -0.72 0.00 -0.68 -4.08 105.19 101.65 3g35 n GLY 143 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3g35 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g35 n GLY 144 N -2.62 1.46 0.38 -0.02 0.00 -0.17 -4.56 105.19 99.66 3g35 n GLY 144 Ca 0.00 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 44.02 3g35 n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g35 h PRO 145 N 0.00 0.58 -0.01 1.61 0.11 -1.84 0.44 132.00 132.89 3g35 h PRO 145 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3g35 h PRO 145 Cb 0.00 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 3g35 h PRO 145 CO 0.00 0.38 0.01 0.78 -0.21 0.00 0.00 178.00 178.96 3g35 h GLY 146 N 0.60 0.00 1.62 -0.55 0.00 -1.85 -1.35 103.07 101.54 3g35 h GLY 146 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.64 3g35 h GLY 146 CO -0.19 0.00 -0.44 -1.33 0.00 0.00 0.00 176.54 174.59 3g35 h GLY 147 N 0.00 0.45 0.86 4.60 0.00 -1.05 0.60 103.07 108.53 3g35 h GLY 147 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3g35 h GLY 147 CO -0.00 0.41 -0.08 -2.08 0.00 0.00 0.00 176.54 174.79 3g35 h VAL 148 N 0.34 1.29 -0.71 4.60 2.07 -1.26 -2.10 116.25 120.47 3g35 h VAL 148 Ca 0.03 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.47 3g35 h VAL 148 Cb 0.91 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3g35 h VAL 148 CO 0.08 0.35 0.44 0.74 0.02 0.00 0.00 177.57 179.19 3g35 h THR 149 N 0.24 1.07 -0.77 2.57 2.02 -1.33 -1.85 112.91 114.86 3g35 h THR 149 Ca 0.06 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3g35 h THR 149 Cb 0.56 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 3g35 h THR 149 CO 0.03 0.15 0.49 0.00 0.37 0.00 0.00 175.52 176.56 3g35 h ALA 150 N 1.32 1.01 -0.47 6.16 0.00 -0.75 -0.63 119.26 125.90 3g35 h ALA 150 Ca 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3g35 h ALA 150 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3g35 h ALA 150 CO -0.13 0.29 0.22 0.35 0.00 0.00 0.00 179.25 179.98 3g35 h PHE 151 N 0.94 0.68 -0.51 0.00 3.57 -1.05 -1.17 116.94 119.41 3g35 h PHE 151 Ca 0.31 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.85 3g35 h PHE 151 Cb 0.02 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 3g35 h PHE 151 CO -0.03 0.55 0.16 0.00 -2.23 0.00 0.00 178.31 176.76 3g35 h ALA 152 N 1.07 0.61 -0.85 2.41 0.00 -0.71 -2.04 119.26 119.76 3g35 h ALA 152 Ca 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3g35 h ALA 152 Cb 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3g35 h ALA 152 CO -0.02 -0.24 0.43 0.00 0.00 0.00 0.00 179.25 179.41 3g35 h ARG 153 N 0.32 1.21 0.00 0.00 2.47 -0.89 -0.13 114.38 117.35 3g35 h ARG 153 Ca 0.25 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3g35 h ARG 153 Cb 0.29 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3g35 h ARG 153 CO -0.27 0.91 -0.02 0.00 0.56 0.00 0.00 179.97 181.15 3g35 h ALA 154 N 1.23 1.88 -0.60 0.04 0.00 -0.52 -0.95 119.26 120.34 3g35 h ALA 154 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3g35 h ALA 154 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3g35 h ALA 154 CO -0.04 0.03 0.00 0.44 0.00 0.00 0.00 179.25 179.68 3g35 n ILE 155 N -4.39 0.79 -0.26 0.00 -5.35 -0.94 -4.95 119.36 104.26 3g35 n ILE 155 Ca -0.03 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 3g35 n ILE 155 Cb 0.11 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 3g35 n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g35 n GLY 156 N 1.57 0.86 3.51 3.28 0.00 -0.36 -5.05 105.19 109.00 3g35 n GLY 156 Ca 0.22 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3g35 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g35 s ASP 157 N -2.06 6.30 0.00 1.61 -1.08 -0.09 -4.90 116.67 116.45 3g35 s ASP 157 Ca 0.00 -0.43 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 3g35 s ASP 157 Cb 0.00 -2.32 0.58 0.00 -1.46 0.00 0.00 42.92 39.73 3g35 s ASP 157 CO 0.00 -0.80 1.48 -0.62 0.52 0.00 0.00 175.17 175.75 3g35 n GLU 158 N 6.27 2.03 -0.08 4.34 1.02 -1.26 -3.15 120.64 129.81 3g35 n GLU 158 Ca -0.02 -1.51 -0.17 0.00 -0.02 0.00 0.00 57.16 55.45 3g35 n GLU 158 Cb 0.47 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 3g35 n GLU 158 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3g35 n THR 159 N 0.82 0.94 -1.58 2.62 -1.04 -1.26 -5.00 114.28 109.78 3g35 n THR 159 Ca 0.16 -0.27 -0.48 0.00 -2.04 0.00 0.00 64.05 61.42 3g35 n THR 159 Cb 0.49 -1.55 -0.04 0.00 -1.82 0.00 0.00 70.33 67.41 3g35 n THR 159 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3g35 n PHE 160 N -3.55 1.29 -3.74 -1.42 -0.00 -1.26 -4.70 117.46 104.08 3g35 n PHE 160 Ca -0.32 0.68 -0.14 0.00 -0.00 0.00 0.00 57.45 57.67 3g35 n PHE 160 Cb 0.76 -2.28 -0.15 0.00 -0.00 0.00 0.00 39.48 37.82 3g35 n PHE 160 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3g35 s ARG 161 N -0.55 0.09 -0.17 -4.13 1.70 -0.84 -4.92 118.95 110.14 3g35 s ARG 161 Ca 0.71 0.38 -0.03 0.00 -0.47 0.00 0.00 55.73 56.32 3g35 s ARG 161 Cb -0.83 -0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 33.35 3g35 s ARG 161 CO 0.53 -0.18 -0.06 -1.17 -1.08 0.00 0.00 175.30 173.35 3g35 s LEU 162 N 1.25 3.04 -0.01 -1.89 2.96 -1.26 -2.80 118.68 119.97 3g35 s LEU 162 Ca -0.08 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3g35 s LEU 162 Cb -0.12 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3g35 s LEU 162 CO -0.06 0.12 0.01 0.47 -1.32 0.00 0.00 176.35 175.57 3g35 n ASP 163 N 3.86 4.72 -4.33 3.68 8.00 -1.26 -3.93 116.55 127.29 3g35 n ASP 163 Ca -0.18 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.15 3g35 n ASP 163 Cb 0.52 0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 42.27 3g35 n ASP 163 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3g35 s ARG 164 N -2.05 1.38 0.72 -1.24 0.52 -1.26 -4.82 118.95 112.20 3g35 s ARG 164 Ca -0.01 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 53.48 3g35 s ARG 164 Cb 0.01 -0.50 0.13 0.00 0.52 0.00 0.00 34.95 35.11 3g35 s ARG 164 CO 0.05 -0.18 0.99 0.95 0.02 0.00 0.00 175.30 177.13 3g35 s THR 165 N -3.54 2.08 0.36 0.02 -4.23 -1.26 -4.70 115.64 104.37 3g35 s THR 165 Ca 0.32 -0.63 -0.25 0.00 -1.18 0.00 0.00 61.69 59.95 3g35 s THR 165 Cb 0.07 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 3g35 s THR 165 CO 0.11 0.00 0.98 -1.61 -0.54 0.00 0.00 174.62 173.56 3g35 s GLU 166 N -5.13 4.42 0.00 3.99 0.41 -1.26 -1.77 118.70 119.36 3g35 s GLU 166 Ca 0.67 1.37 0.26 0.00 -0.41 0.00 0.00 54.97 56.86 3g35 s GLU 166 Cb -0.05 -2.66 0.64 0.00 -1.78 0.00 0.00 34.13 30.29 3g35 s GLU 166 CO 0.44 0.11 1.50 -0.35 -0.49 0.00 0.00 175.26 176.47 3g35 n PRO 167 N 0.25 0.76 0.14 0.39 -0.04 -1.26 -4.92 135.00 130.31 3g35 n PRO 167 Ca 0.03 -0.47 0.12 0.00 -0.04 0.00 0.00 63.50 63.14 3g35 n PRO 167 Cb 0.50 -1.49 0.50 0.00 -0.04 0.00 0.00 33.50 32.97 3g35 n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3g35 n THR 168 N -0.70 0.81 0.27 0.52 -2.24 -1.03 -2.25 114.28 109.65 3g35 n THR 168 Ca 0.11 0.21 0.04 0.00 -2.27 0.00 0.00 64.05 62.14 3g35 n THR 168 Cb 0.36 -1.16 0.17 0.00 -2.10 0.00 0.00 70.33 67.60 3g35 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g35 n LEU 169 N -2.29 0.00 -1.40 3.22 -0.00 -0.73 -2.11 117.00 113.69 3g35 n LEU 169 Ca 0.02 0.48 0.09 0.00 -0.00 0.00 0.00 56.01 56.60 3g35 n LEU 169 Cb 0.24 -0.48 0.32 0.00 -0.00 0.00 0.00 43.42 43.51 3g35 n LEU 169 CO 0.20 -0.35 0.78 0.59 -0.00 0.00 0.00 177.39 178.62 3g35 n ASN 170 N -1.48 4.42 0.21 1.45 3.02 -0.96 -4.50 115.26 117.43 3g35 n ASN 170 Ca 0.02 -2.41 0.06 0.00 -0.03 0.00 0.00 54.58 52.21 3g35 n ASN 170 Cb 0.09 -0.53 0.52 0.00 -0.61 0.00 0.00 39.78 39.25 3g35 n ASN 170 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3g35 h THR 171 N 3.66 1.10 -5.52 3.41 1.35 -1.64 -2.37 112.91 112.90 3g35 h THR 171 Ca 0.00 -0.47 -0.42 0.00 -0.55 0.00 0.00 66.41 64.97 3g35 h THR 171 Cb 1.34 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3g35 h THR 171 CO 0.19 0.14 -0.66 0.00 -0.25 0.00 0.00 175.52 174.94 3g35 n ALA 172 N -2.51 -1.14 -2.17 6.62 0.00 -1.26 -4.24 120.51 115.81 3g35 n ALA 172 Ca -0.02 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3g35 n ALA 172 Cb 0.20 -4.05 -0.03 0.00 0.00 0.00 0.00 19.45 15.57 3g35 n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3g35 s ILE 173 N -3.17 3.38 0.25 0.00 1.01 -1.26 -4.68 121.20 116.72 3g35 s ILE 173 Ca 0.49 0.94 -0.31 0.00 0.00 0.00 0.00 60.65 61.77 3g35 s ILE 173 Cb -0.24 -3.60 -0.13 0.00 0.01 0.00 0.00 42.46 38.49 3g35 s ILE 173 CO 0.61 0.05 1.39 -2.65 0.00 0.00 0.00 174.94 174.33 3g35 n PRO 174 N 4.37 2.03 0.00 2.79 -0.02 -1.26 -1.71 135.00 141.21 3g35 n PRO 174 Ca 0.12 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3g35 n PRO 174 Cb 0.42 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3g35 n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g35 n GLY 175 N 1.98 2.58 3.67 -1.23 0.00 -1.26 -5.01 105.19 105.92 3g35 n GLY 175 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3g35 n GLY 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g35 s ASP 176 N -2.26 7.00 0.19 1.61 -1.08 -0.69 -4.92 116.67 116.52 3g35 s ASP 176 Ca 0.00 1.72 0.26 0.00 -0.52 0.00 0.00 52.55 54.01 3g35 s ASP 176 Cb 0.00 -2.55 0.89 0.00 -1.46 0.00 0.00 42.92 39.80 3g35 s ASP 176 CO 0.00 -0.69 1.77 -0.81 0.52 0.00 0.00 175.17 175.97 3g35 n PRO 177 N 6.04 0.21 -1.79 4.34 -0.04 -1.26 -4.86 135.00 137.64 3g35 n PRO 177 Ca 0.13 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.41 3g35 n PRO 177 Cb 0.45 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 3g35 n PRO 177 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g35 s ARG 178 N -3.13 4.13 -1.24 0.54 0.52 -1.26 -3.18 118.95 115.34 3g35 s ARG 178 Ca 0.10 2.56 -0.07 0.00 -0.52 0.00 0.00 55.73 57.80 3g35 s ARG 178 Cb 0.12 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.57 3g35 s ARG 178 CO 0.54 -0.62 1.08 -0.25 0.02 0.00 0.00 175.30 176.06 3g35 n ASP 179 N 2.23 -5.61 -4.45 0.23 8.00 -1.15 -4.89 116.55 110.90 3g35 n ASP 179 Ca 0.08 -0.51 -0.23 0.00 0.71 0.00 0.00 54.79 54.85 3g35 n ASP 179 Cb 0.37 -4.69 -0.10 0.00 -0.02 0.00 0.00 41.12 36.69 3g35 n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3g35 s THR 180 N -3.30 2.31 0.21 -3.53 -4.23 -1.12 -1.38 115.64 104.60 3g35 s THR 180 Ca 0.48 -2.35 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 3g35 s THR 180 Cb -0.21 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.34 3g35 s THR 180 CO 0.67 -0.41 0.30 1.07 -0.54 0.00 0.00 174.62 175.71 3g35 n THR 181 N -0.59 0.00 -4.13 3.99 5.66 -0.91 -1.98 114.28 116.33 3g35 n THR 181 Ca -0.06 -1.01 -0.26 0.00 -3.05 0.00 0.00 64.05 59.68 3g35 n THR 181 Cb 0.60 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.96 3g35 n THR 181 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3g35 s THR 182 N -2.64 4.22 0.24 1.09 -4.23 -1.26 -0.99 115.64 112.06 3g35 s THR 182 Ca 0.16 -1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 3g35 s THR 182 Cb -0.01 -3.15 0.20 0.00 1.34 0.00 0.00 72.50 70.89 3g35 s THR 182 CO 0.12 -0.12 1.81 -0.65 -0.54 0.00 0.00 174.62 175.24 3g35 h PRO 183 N 2.48 0.75 -0.29 3.99 0.11 -1.70 -1.65 132.00 135.70 3g35 h PRO 183 Ca -0.47 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3g35 h PRO 183 Cb 1.20 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3g35 h PRO 183 CO 0.61 0.49 0.14 -0.09 -0.21 0.00 0.00 178.00 178.95 3g35 h ARG 184 N 0.77 0.29 -0.53 1.05 2.43 -1.52 -1.14 114.38 115.73 3g35 h ARG 184 Ca 0.38 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.44 3g35 h ARG 184 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3g35 h ARG 184 CO -0.24 0.20 -0.04 0.00 -1.51 0.00 0.00 179.97 178.38 3g35 h ALA 185 N 1.15 0.72 -0.22 2.80 0.00 -1.72 -2.17 119.26 119.82 3g35 h ALA 185 Ca 0.12 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3g35 h ALA 185 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3g35 h ALA 185 CO -0.08 0.58 -0.41 1.98 0.00 0.00 0.00 179.25 181.32 3g35 h MET 186 N 0.84 0.52 -0.36 0.00 1.85 -1.10 -0.91 114.93 115.77 3g35 h MET 186 Ca 0.15 -0.26 -0.02 0.00 -0.61 0.00 0.00 59.70 58.95 3g35 h MET 186 Cb 0.59 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.61 3g35 h MET 186 CO 0.04 0.84 0.13 0.00 -0.40 0.00 0.00 176.91 177.52 3g35 h ALA 187 N 1.13 0.47 -0.05 0.39 0.00 -1.10 0.52 119.26 120.63 3g35 h ALA 187 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3g35 h ALA 187 Cb 0.90 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3g35 h ALA 187 CO 0.08 0.09 0.01 0.37 0.00 0.00 0.00 179.25 179.80 3g35 h GLN 188 N 0.44 0.04 -0.50 0.00 5.75 -1.19 -1.13 115.11 118.51 3g35 h GLN 188 Ca 0.12 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 3g35 h GLN 188 Cb 0.22 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3g35 h GLN 188 CO -0.01 0.02 0.27 1.15 -2.65 0.00 0.00 178.83 177.62 3g35 h THR 189 N 0.04 1.18 -0.75 2.39 2.02 -1.09 -1.11 112.91 115.58 3g35 h THR 189 Ca 0.02 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 3g35 h THR 189 Cb 0.01 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3g35 h THR 189 CO -0.02 0.19 0.42 0.25 0.37 0.00 0.00 175.52 176.72 3g35 h LEU 190 N 0.66 0.92 -0.18 2.58 5.85 -0.70 -0.49 115.31 123.96 3g35 h LEU 190 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3g35 h LEU 190 Cb 0.06 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3g35 h LEU 190 CO -0.03 0.74 0.09 -0.09 -0.34 0.00 0.00 178.44 178.81 3g35 h ARG 191 N 1.05 0.25 -0.91 1.25 2.43 -0.87 -1.38 114.38 116.20 3g35 h ARG 191 Ca 0.27 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3g35 h ARG 191 Cb 0.01 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3g35 h ARG 191 CO -0.04 0.28 0.59 1.96 -1.51 0.00 0.00 179.97 181.25 3g35 h GLN 192 N 0.16 1.13 -0.33 0.20 4.20 -0.58 0.12 115.11 120.02 3g35 h GLN 192 Ca 0.06 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 3g35 h GLN 192 Cb 0.11 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3g35 h GLN 192 CO -0.01 0.75 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.34 3g35 h LEU 193 N 1.17 0.99 0.00 1.46 3.38 -0.94 -2.56 115.31 118.81 3g35 h LEU 193 Ca 0.36 -0.51 -0.23 0.00 0.09 0.00 0.00 57.88 57.59 3g35 h LEU 193 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3g35 h LEU 193 CO -0.11 1.31 -2.21 0.35 0.09 0.00 0.00 178.44 177.87 3g35 n THR 194 N -4.03 0.88 0.00 0.22 -2.24 -0.53 -4.63 114.28 103.95 3g35 n THR 194 Ca -0.04 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3g35 n THR 194 Cb 0.60 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3g35 n THR 194 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3g35 n LEU 195 N -2.58 0.00 0.00 3.22 4.77 0.32 -4.92 117.00 117.81 3g35 n LEU 195 Ca -0.22 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3g35 n LEU 195 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3g35 n LEU 195 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3g35 n GLY 196 N 1.20 3.65 0.55 -0.72 0.00 -0.69 -4.98 105.19 104.21 3g35 n GLY 196 Ca 0.00 -1.88 0.06 0.00 0.00 0.00 0.00 46.02 44.20 3g35 n GLY 196 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g35 n HIS 197 N 0.00 0.31 -0.13 1.61 8.25 -1.18 -4.60 115.22 119.47 3g35 n HIS 197 Ca 0.00 -1.27 -0.01 0.00 -0.26 0.00 0.00 57.72 56.17 3g35 n HIS 197 Cb 0.00 -0.27 0.23 0.00 1.12 0.00 0.00 29.99 31.07 3g35 n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g35 h ALA 198 N 0.75 1.32 -2.49 -1.41 0.00 -1.84 -3.43 119.26 112.16 3g35 h ALA 198 Ca 0.04 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.20 3g35 h ALA 198 Cb 1.17 -0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 3g35 h ALA 198 CO 0.10 0.50 -0.69 -0.51 0.00 0.00 0.00 179.25 178.64 3g35 s LEU 199 N -9.45 3.00 0.91 0.00 1.43 -1.26 -5.03 118.68 108.28 3g35 s LEU 199 Ca -0.10 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 3g35 s LEU 199 Cb 0.16 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.93 3g35 s LEU 199 CO 0.79 0.04 1.01 0.61 0.23 0.00 0.00 176.35 179.03 3g35 n GLY 200 N -0.52 -0.66 0.30 -3.19 0.00 -1.26 -4.66 105.19 95.20 3g35 n GLY 200 Ca -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 3g35 n GLY 200 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g35 h GLU 201 N -1.74 0.91 -0.74 1.61 4.57 -1.98 0.65 114.58 117.87 3g35 h GLU 201 Ca -0.43 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.64 3g35 h GLU 201 Cb 1.28 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 3g35 h GLU 201 CO 0.40 0.60 0.26 1.15 -1.18 0.00 0.00 179.01 180.25 3g35 h THR 202 N 0.94 1.26 -0.31 0.32 2.02 -1.99 -1.76 112.91 113.39 3g35 h THR 202 Ca 0.31 -0.85 -0.15 0.00 0.77 0.00 0.00 66.41 66.48 3g35 h THR 202 Cb 0.03 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3g35 h THR 202 CO -0.12 0.34 -0.41 1.56 0.37 0.00 0.00 175.52 177.26 3g35 h GLN 203 N 1.07 0.82 -0.41 6.66 7.50 -1.73 -1.60 115.11 127.42 3g35 h GLN 203 Ca 0.24 -0.47 0.02 0.00 0.50 0.00 0.00 58.65 58.94 3g35 h GLN 203 Cb 0.26 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.80 3g35 h GLN 203 CO -0.01 1.11 0.25 -0.09 -1.50 0.00 0.00 178.83 178.58 3g35 h ARG 204 N 0.59 0.48 -0.91 1.46 2.43 -0.79 -0.48 114.38 117.17 3g35 h ARG 204 Ca 0.04 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3g35 h ARG 204 Cb 1.00 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 3g35 h ARG 204 CO 0.10 0.32 0.59 0.00 -1.51 0.00 0.00 179.97 179.47 3g35 h ALA 205 N 1.18 1.15 -0.52 2.80 0.00 -1.21 -0.84 119.26 121.81 3g35 h ALA 205 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3g35 h ALA 205 Cb -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3g35 h ALA 205 CO -0.07 0.56 0.09 0.37 0.00 0.00 0.00 179.25 180.20 3g35 h GLN 206 N 1.23 0.87 -0.38 0.00 5.75 -0.80 0.04 115.11 121.81 3g35 h GLN 206 Ca 0.33 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3g35 h GLN 206 Cb -0.13 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 3g35 h GLN 206 CO -0.07 0.85 0.17 1.25 -2.65 0.00 0.00 178.83 178.38 3g35 h LEU 207 N 0.75 0.51 -0.61 -2.39 5.85 -0.69 -0.60 115.31 118.12 3g35 h LEU 207 Ca 0.16 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3g35 h LEU 207 Cb 0.40 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3g35 h LEU 207 CO 0.01 0.51 0.31 0.58 -0.34 0.00 0.00 178.44 179.51 3g35 h VAL 208 N 0.48 1.21 -0.62 1.05 2.07 -0.97 -0.93 116.25 118.53 3g35 h VAL 208 Ca 0.13 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3g35 h VAL 208 Cb 0.15 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3g35 h VAL 208 CO -0.01 0.23 0.38 0.74 0.02 0.00 0.00 177.57 178.93 3g35 h THR 209 N 0.83 1.07 -0.17 2.57 2.02 -0.73 0.09 112.91 118.58 3g35 h THR 209 Ca 0.21 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3g35 h THR 209 Cb 0.09 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3g35 h THR 209 CO -0.03 0.14 0.08 -0.50 0.37 0.00 0.00 175.52 175.57 3g35 h TRP 210 N 0.74 0.26 -0.72 3.16 6.55 -0.70 -2.02 115.95 123.22 3g35 h TRP 210 Ca 0.25 -0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.06 3g35 h TRP 210 Cb 0.03 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 3g35 h TRP 210 CO -0.05 0.30 0.41 -0.07 -1.05 0.00 0.00 178.44 177.97 3g35 h LEU 211 N 0.14 0.88 -2.07 -4.49 3.38 -0.86 -1.70 115.31 110.60 3g35 h LEU 211 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3g35 h LEU 211 Cb 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3g35 h LEU 211 CO -0.01 0.71 -0.05 0.11 0.09 0.00 0.00 178.44 179.30 3g35 h LYS 212 N 0.98 0.00 -0.56 1.13 1.57 -0.85 -2.18 116.57 116.67 3g35 h LYS 212 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3g35 h LYS 212 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3g35 h LYS 212 CO -0.04 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 3g35 n GLY 213 N -0.55 1.60 3.66 3.86 0.00 -0.66 -4.86 105.19 108.23 3g35 n GLY 213 Ca -0.01 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3g35 n GLY 213 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g35 n ASN 214 N 1.11 2.24 -0.00 1.61 5.15 -0.85 -4.88 115.26 119.64 3g35 n ASN 214 Ca 0.18 1.20 0.10 0.00 -0.60 0.00 0.00 54.58 55.46 3g35 n ASN 214 Cb 0.47 -1.41 -0.12 0.00 -0.53 0.00 0.00 39.78 38.19 3g35 n ASN 214 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3g35 n THR 215 N 0.29 0.00 0.34 -0.44 -2.24 -0.54 -4.61 114.28 107.08 3g35 n THR 215 Ca 0.06 -0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 3g35 n THR 215 Cb 0.35 0.95 0.16 0.00 -2.10 0.00 0.00 70.33 69.69 3g35 n THR 215 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g35 n THR 216 N -1.53 0.42 0.82 4.28 -2.24 -1.26 -4.69 114.28 110.09 3g35 n THR 216 Ca 0.04 -0.71 0.09 0.00 -2.27 0.00 0.00 64.05 61.20 3g35 n THR 216 Cb 0.34 1.03 0.04 0.00 -2.10 0.00 0.00 70.33 69.63 3g35 n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g35 n GLY 217 N 1.18 0.25 0.31 3.38 0.00 -1.26 -4.62 105.19 104.42 3g35 n GLY 217 Ca 0.15 -0.55 0.20 0.00 0.00 0.00 0.00 46.02 45.82 3g35 n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g35 h ALA 218 N 3.52 1.00 -0.02 4.61 0.00 -1.93 -2.41 119.26 124.03 3g35 h ALA 218 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g35 h ALA 218 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3g35 h ALA 218 CO 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.98 3g35 n ALA 219 N -2.09 3.10 -2.21 0.00 0.00 -1.26 -3.40 120.51 114.65 3g35 n ALA 219 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3g35 n ALA 219 Cb 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3g35 n ALA 219 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g35 n SER 220 N 0.40 0.00 -0.25 0.00 7.64 -0.91 -4.28 113.62 116.23 3g35 n SER 220 Ca 0.12 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.05 3g35 n SER 220 Cb 0.50 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.87 3g35 n SER 220 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3g35 h ILE 221 N 0.00 0.46 0.00 0.44 2.04 -1.78 -1.59 117.51 117.08 3g35 h ILE 221 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3g35 h ILE 221 Cb 0.00 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3g35 h ILE 221 CO 0.00 0.04 -0.04 0.03 0.00 0.00 0.00 178.15 178.17 3g35 h ARG 222 N 0.21 0.00 0.00 2.37 3.08 -1.85 -0.73 114.38 117.46 3g35 h ARG 222 Ca 0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 3g35 h ARG 222 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 3g35 h ARG 222 CO -0.56 0.04 -0.05 0.00 -1.07 0.00 0.00 179.97 178.34 3g35 h ALA 223 N 1.96 1.06 -0.39 0.04 0.00 -1.30 -2.69 119.26 117.93 3g35 h ALA 223 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3g35 h ALA 223 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g35 h ALA 223 CO 0.01 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3g35 n GLY 224 N -0.34 1.72 3.77 0.00 0.00 -0.28 -4.97 105.19 105.08 3g35 n GLY 224 Ca -0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 3g35 n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g35 s LEU 225 N -1.49 3.74 0.34 0.99 1.43 -1.02 -3.28 118.68 119.40 3g35 s LEU 225 Ca 0.39 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.14 3g35 s LEU 225 Cb 0.23 -2.41 -0.12 0.00 0.03 0.00 0.00 46.19 43.92 3g35 s LEU 225 CO 0.32 0.13 1.10 -2.65 0.23 0.00 0.00 176.35 175.48 3g35 n PRO 226 N 0.17 1.60 0.23 1.29 -0.02 -1.26 -4.88 135.00 132.12 3g35 n PRO 226 Ca -0.09 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3g35 n PRO 226 Cb 0.53 -2.05 0.55 0.00 -0.02 0.00 0.00 33.50 32.50 3g35 n PRO 226 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3g35 h THR 227 N 2.03 0.87 0.00 3.45 1.35 -1.98 -2.62 112.91 116.02 3g35 h THR 227 Ca -0.43 -0.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3g35 h THR 227 Cb 1.32 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3g35 h THR 227 CO 0.60 0.22 -0.02 0.77 -0.25 0.00 0.00 175.52 176.84 3g35 h SER 228 N 0.00 0.00 -4.11 5.36 4.64 -2.00 -3.44 113.55 114.00 3g35 h SER 228 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3g35 h SER 228 Cb 0.48 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3g35 h SER 228 CO 0.03 0.02 0.37 0.26 -0.87 0.00 0.00 176.83 176.64 3g35 s TRP 229 N -3.80 3.13 0.14 4.77 0.52 -0.99 -5.01 118.94 117.70 3g35 s TRP 229 Ca -0.00 1.55 0.08 0.00 0.02 0.00 0.00 56.10 57.75 3g35 s TRP 229 Cb 0.10 -2.97 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 3g35 s TRP 229 CO 0.52 -0.67 -0.09 0.95 0.02 0.00 0.00 176.95 177.68 3g35 s THR 230 N -2.22 3.29 0.16 2.01 -4.23 -0.87 -4.99 115.64 108.79 3g35 s THR 230 Ca 0.64 -1.46 -0.19 0.00 -1.18 0.00 0.00 61.69 59.50 3g35 s THR 230 Cb -0.14 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.16 3g35 s THR 230 CO 0.24 -0.00 0.52 0.00 -0.54 0.00 0.00 174.62 174.84 3g35 s ALA 231 N -1.46 -1.20 0.15 3.99 0.00 -1.26 0.09 121.76 122.07 3g35 s ALA 231 Ca 0.23 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.37 3g35 s ALA 231 Cb -0.10 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3g35 s ALA 231 CO 0.14 -0.75 -0.19 0.20 0.00 0.00 0.00 175.76 175.17 3g35 s GLY 232 N -2.81 1.34 0.20 0.00 0.00 -0.28 -4.54 107.32 101.25 3g35 s GLY 232 Ca 0.04 -1.43 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 3g35 s GLY 232 CO -0.09 -1.47 0.55 0.51 0.00 0.00 0.00 173.10 172.61 3g35 s ASP 233 N -2.50 -0.29 -0.07 1.64 -4.77 -1.05 -1.36 116.67 108.28 3g35 s ASP 233 Ca 0.13 -0.46 -0.00 0.00 -3.30 0.00 0.00 52.55 48.92 3g35 s ASP 233 Cb -0.07 0.60 0.03 0.00 -1.09 0.00 0.00 42.92 42.39 3g35 s ASP 233 CO 0.06 -1.08 -0.03 -0.75 0.70 0.00 0.00 175.17 174.07 3g35 s LYS 234 N -3.87 0.87 0.57 2.11 2.47 -0.13 -4.72 119.74 117.04 3g35 s LYS 234 Ca 0.09 -0.04 -0.04 0.00 -1.56 0.00 0.00 55.97 54.42 3g35 s LYS 234 Cb -0.02 -1.06 0.01 0.00 -1.46 0.00 0.00 37.83 35.31 3g35 s LYS 234 CO -0.02 -0.22 0.86 0.95 0.16 0.00 0.00 175.35 177.07 3g35 s THR 235 N 1.58 3.47 0.07 3.43 -4.23 -1.26 -1.42 115.64 117.28 3g35 s THR 235 Ca -0.00 -0.18 -0.21 0.00 -1.18 0.00 0.00 61.69 60.12 3g35 s THR 235 Cb -0.13 -3.37 0.05 0.00 1.34 0.00 0.00 72.50 70.39 3g35 s THR 235 CO -0.04 -0.35 0.49 -0.83 -0.54 0.00 0.00 174.62 173.35 3g35 s GLY 236 N -4.32 -0.39 0.19 3.99 0.00 -0.50 -3.34 107.32 102.95 3g35 s GLY 236 Ca 0.54 0.43 -0.17 0.00 0.00 0.00 0.00 44.72 45.52 3g35 s GLY 236 CO 0.43 0.14 0.51 -1.35 0.00 0.00 0.00 173.10 172.83 3g35 s SER 237 N -2.18 -0.25 0.00 1.64 1.04 -1.26 -0.38 113.70 112.31 3g35 s SER 237 Ca -0.03 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3g35 s SER 237 Cb -0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3g35 s SER 237 CO -0.04 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3g35 n GLY 238 N -0.33 2.21 3.48 7.32 0.00 -0.83 -4.58 105.19 112.47 3g35 n GLY 238 Ca -0.10 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 3g35 n GLY 238 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g35 s ASP 240 N 1.39 0.49 -1.61 1.61 1.01 -0.89 -3.07 116.67 115.61 3g35 s ASP 240 Ca 0.00 1.00 -0.00 0.00 0.71 0.00 0.00 52.55 54.25 3g35 s ASP 240 Cb 0.00 -1.48 0.00 0.00 1.01 0.00 0.00 42.92 42.45 3g35 s ASP 240 CO 0.00 -4.43 0.04 -1.22 0.21 0.00 0.00 175.17 169.77 3g35 n TYR 241 N -5.02 -1.16 -2.54 4.23 4.01 -0.05 -2.16 117.16 114.47 3g35 n TYR 241 Ca 0.09 0.03 -0.15 0.00 -0.16 0.00 0.00 57.90 57.71 3g35 n TYR 241 Cb 0.58 -3.72 -0.00 0.00 -0.31 0.00 0.00 39.34 35.88 3g35 n TYR 241 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g35 n GLY 242 N -1.00 -0.50 3.72 2.72 0.00 -1.19 -0.56 105.19 108.38 3g35 n GLY 242 Ca -0.22 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3g35 n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g35 s THR 243 N -2.73 3.45 -0.13 2.61 2.01 -0.92 -4.45 115.64 115.48 3g35 s THR 243 Ca 0.05 1.07 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 3g35 s THR 243 Cb -0.02 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.86 3g35 s THR 243 CO 0.06 0.10 0.17 -0.89 -0.69 0.00 0.00 174.62 173.37 3g35 s THR 244 N 0.83 -0.25 0.13 -0.82 2.01 0.27 -1.96 115.64 115.84 3g35 s THR 244 Ca 0.61 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.82 3g35 s THR 244 Cb -0.35 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3g35 s THR 244 CO 0.32 -0.00 -0.11 0.20 -0.69 0.00 0.00 174.62 174.33 3g35 s ASN 245 N 2.28 1.78 -0.24 3.53 0.01 0.49 -1.92 114.94 120.88 3g35 s ASN 245 Ca 0.04 -0.90 -0.23 0.00 -0.71 0.00 0.00 52.86 51.06 3g35 s ASN 245 Cb -0.14 -0.03 0.06 0.00 0.41 0.00 0.00 41.25 41.56 3g35 s ASN 245 CO -0.08 -0.25 0.66 -0.62 -1.51 0.00 0.00 177.10 175.29 3g35 s ASP 246 N -2.77 -0.68 -0.03 -1.22 2.15 -0.31 -1.41 116.67 112.40 3g35 s ASP 246 Ca 0.12 1.31 0.05 0.00 0.43 0.00 0.00 52.55 54.45 3g35 s ASP 246 Cb -0.01 1.32 -0.01 0.00 -0.30 0.00 0.00 42.92 43.92 3g35 s ASP 246 CO 0.01 -0.24 -0.17 0.27 -0.17 0.00 0.00 175.17 174.88 3g35 s ILE 247 N 0.31 1.38 0.00 4.11 -4.36 -0.50 -1.07 121.20 121.08 3g35 s ILE 247 Ca -0.00 -0.72 -0.03 0.00 -0.26 0.00 0.00 60.65 59.63 3g35 s ILE 247 Cb -0.04 -1.17 -0.01 0.00 1.25 0.00 0.00 42.46 42.49 3g35 s ILE 247 CO 0.01 0.39 0.05 0.00 0.24 0.00 0.00 174.94 175.64 3g35 s ALA 248 N -0.21 -0.10 -0.10 2.27 0.00 0.59 -0.95 121.76 123.24 3g35 s ALA 248 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3g35 s ALA 248 Cb -0.09 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3g35 s ALA 248 CO 0.00 -0.16 -0.12 0.54 0.00 0.00 0.00 175.76 176.03 3g35 s VAL 249 N -1.17 3.18 -0.05 0.00 0.11 -0.46 -1.08 120.40 120.93 3g35 s VAL 249 Ca -0.13 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.31 3g35 s VAL 249 Cb -0.07 -2.31 0.01 0.00 -1.53 0.00 0.00 36.38 32.48 3g35 s VAL 249 CO 0.00 0.55 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.58 3g35 s ILE 250 N -0.05 0.98 -0.51 7.04 1.01 0.33 -1.12 121.20 128.87 3g35 s ILE 250 Ca -0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 3g35 s ILE 250 Cb -0.14 -0.89 0.13 0.00 0.01 0.00 0.00 42.46 41.57 3g35 s ILE 250 CO 0.04 0.31 0.33 0.26 0.00 0.00 0.00 174.94 175.88 3g35 s TRP 251 N 0.52 3.51 0.00 3.97 0.51 0.11 -0.42 118.94 127.14 3g35 s TRP 251 Ca -0.10 -2.41 0.00 0.00 -2.12 0.00 0.00 56.10 51.46 3g35 s TRP 251 Cb -0.13 -3.29 0.00 0.00 -0.81 0.00 0.00 33.47 29.24 3g35 s TRP 251 CO 0.02 -0.93 0.00 -2.30 -0.51 0.00 0.00 176.95 173.23 3g35 n PRO 252 N 4.24 0.45 0.00 4.98 -0.02 -1.26 -2.06 135.00 141.33 3g35 n PRO 252 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3g35 n PRO 252 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 3g35 n PRO 252 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g35 n GLY 255 N 4.56 0.00 3.54 -1.23 0.00 -1.26 -4.86 105.19 105.94 3g35 n GLY 255 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3g35 n GLY 255 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3g35 s ARG 256 N 0.00 1.46 0.80 1.61 1.70 -1.26 -5.17 118.95 118.09 3g35 s ARG 256 Ca 0.00 -1.16 -0.12 0.00 -0.47 0.00 0.00 55.73 53.98 3g35 s ARG 256 Cb 0.00 0.47 0.08 0.00 -0.57 0.00 0.00 34.95 34.93 3g35 s ARG 256 CO 0.00 -0.60 1.15 0.00 -1.08 0.00 0.00 175.30 174.77 3g35 s ALA 257 N -3.98 1.94 0.73 7.88 0.00 -1.26 -4.96 121.76 122.11 3g35 s ALA 257 Ca 0.19 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 3g35 s ALA 257 Cb -0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3g35 s ALA 257 CO 0.05 -2.13 1.02 -2.30 0.00 0.00 0.00 175.76 172.40 3g35 n PRO 258 N -3.46 0.50 -4.34 0.00 -0.02 -1.26 -4.56 135.00 121.86 3g35 n PRO 258 Ca 0.11 0.23 -0.28 0.00 -2.02 0.00 0.00 63.50 61.54 3g35 n PRO 258 Cb 0.52 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.61 3g35 n PRO 258 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g35 s LEU 259 N -3.55 2.66 -0.09 2.45 1.43 0.44 -1.87 118.68 120.14 3g35 s LEU 259 Ca 0.74 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3g35 s LEU 259 Cb -0.34 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 3g35 s LEU 259 CO 0.50 0.15 -0.24 -0.69 0.23 0.00 0.00 176.35 176.30 3g35 s VAL 260 N -1.36 2.11 -0.04 -1.59 1.01 -0.21 -0.51 120.40 119.81 3g35 s VAL 260 Ca 0.19 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3g35 s VAL 260 Cb -0.10 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.51 3g35 s VAL 260 CO 0.11 0.56 -0.02 -0.22 0.00 0.00 0.00 175.10 175.53 3g35 s LEU 261 N 0.25 1.22 -0.11 3.92 2.96 -0.24 -0.72 118.68 125.96 3g35 s LEU 261 Ca -0.16 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3g35 s LEU 261 Cb -0.17 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 3g35 s LEU 261 CO 0.08 -0.08 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.15 3g35 s VAL 262 N 1.01 2.53 -0.16 1.68 1.01 0.06 -0.30 120.40 126.23 3g35 s VAL 262 Ca -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3g35 s VAL 262 Cb -0.14 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.27 3g35 s VAL 262 CO -0.01 0.54 -0.04 0.42 0.00 0.00 0.00 175.10 176.01 3g35 s THR 263 N 0.31 1.02 -0.01 3.92 -4.23 -0.23 -1.65 115.64 114.77 3g35 s THR 263 Ca -0.14 -0.59 0.05 0.00 -1.18 0.00 0.00 61.69 59.83 3g35 s THR 263 Cb -0.17 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 3g35 s THR 263 CO 0.07 0.10 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.79 3g35 s TYR 264 N 1.67 2.65 -0.13 3.99 2.02 0.47 -1.16 117.35 126.86 3g35 s TYR 264 Ca 0.01 -0.20 -0.08 0.00 -0.37 0.00 0.00 57.07 56.43 3g35 s TYR 264 Cb -0.15 -1.56 0.05 0.00 -0.40 0.00 0.00 41.96 39.89 3g35 s TYR 264 CO -0.08 0.21 0.31 0.12 -1.57 0.00 0.00 175.55 174.55 3g35 s PHE 265 N -0.82 -0.41 0.04 2.71 5.36 -0.81 -0.24 117.98 123.82 3g35 s PHE 265 Ca 0.13 0.93 -0.10 0.00 -0.96 0.00 0.00 56.93 56.94 3g35 s PHE 265 Cb -0.11 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 3g35 s PHE 265 CO 0.03 -0.24 0.20 -0.08 -1.46 0.00 0.00 175.22 173.67 3g35 s THR 266 N 0.99 0.10 0.19 0.12 -1.32 -0.51 -0.57 115.64 114.66 3g35 s THR 266 Ca -0.07 -0.87 0.07 0.00 -1.21 0.00 0.00 61.69 59.62 3g35 s THR 266 Cb -0.07 -0.89 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 3g35 s THR 266 CO -0.07 -0.48 -0.14 -1.10 -2.21 0.00 0.00 174.62 170.62 3g35 s GLN 267 N -2.50 1.29 0.49 7.08 -0.21 0.28 -0.17 119.66 125.93 3g35 s GLN 267 Ca -0.06 -1.55 0.30 0.00 0.02 0.00 0.00 55.36 54.07 3g35 s GLN 267 Cb -0.01 -1.09 1.00 0.00 1.00 0.00 0.00 33.01 33.91 3g35 s GLN 267 CO -0.03 0.18 1.85 -1.00 -2.12 0.00 0.00 175.29 174.16 3g35 h PRO 268 N 2.66 0.00 -5.74 2.91 0.13 -1.82 -3.44 132.00 126.70 3g35 h PRO 268 Ca -0.38 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.08 3g35 h PRO 268 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 3g35 h PRO 268 CO 0.61 0.00 -0.61 -0.65 -0.23 0.00 0.00 178.00 177.12 3g35 s GLN 269 N -3.49 3.27 0.39 0.86 -1.52 -1.26 -5.01 119.66 112.89 3g35 s GLN 269 Ca 0.03 -0.40 0.09 0.00 -1.95 0.00 0.00 55.36 53.14 3g35 s GLN 269 Cb 0.08 -2.90 0.85 0.00 -0.22 0.00 0.00 33.01 30.82 3g35 s GLN 269 CO 0.58 0.57 1.95 0.37 -0.25 0.00 0.00 175.29 178.51 3g35 h GLN 270 N 5.63 0.61 -0.65 2.91 4.15 -1.91 -2.16 115.11 123.69 3g35 h GLN 270 Ca -0.46 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3g35 h GLN 270 Cb 1.19 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3g35 h GLN 270 CO 0.58 0.40 0.00 0.27 -1.93 0.00 0.00 178.83 178.16 3g35 n ASN 271 N -4.49 4.38 -4.70 -0.69 6.94 -1.26 -0.87 115.26 114.56 3g35 n ASN 271 Ca 0.11 -2.41 -0.38 0.00 -0.02 0.00 0.00 54.58 51.88 3g35 n ASN 271 Cb 0.32 -0.55 0.05 0.00 -2.36 0.00 0.00 39.78 37.23 3g35 n ASN 271 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g35 n ALA 272 N 1.00 1.10 -1.79 -2.53 0.00 -0.81 -4.88 120.51 112.60 3g35 n ALA 272 Ca 0.23 0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 3g35 n ALA 272 Cb 0.83 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 3g35 n ALA 272 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3g35 s GLU 273 N -2.85 3.84 0.59 0.00 2.02 -1.26 -3.19 118.70 117.85 3g35 s GLU 273 Ca 0.73 1.23 -0.19 0.00 0.02 0.00 0.00 54.97 56.76 3g35 s GLU 273 Cb -0.42 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 3g35 s GLU 273 CO 0.48 -0.38 1.25 -1.12 0.02 0.00 0.00 175.26 175.51 3g35 s SER 274 N -2.29 5.16 -0.47 -0.19 0.01 -1.26 -4.66 113.70 110.00 3g35 s SER 274 Ca 0.64 2.49 0.08 0.00 1.31 0.00 0.00 55.95 60.48 3g35 s SER 274 Cb -0.14 -2.61 0.27 0.00 0.21 0.00 0.00 66.02 63.75 3g35 s SER 274 CO 0.22 -1.62 0.65 0.54 0.41 0.00 0.00 173.24 173.44 3g35 n ARG 275 N -1.47 1.45 0.24 12.44 5.12 -1.26 -4.91 116.66 128.27 3g35 n ARG 275 Ca 0.13 -3.78 0.07 0.00 -1.93 0.00 0.00 57.85 52.35 3g35 n ARG 275 Cb 0.48 -1.65 0.58 0.00 -1.16 0.00 0.00 32.46 30.71 3g35 n ARG 275 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g35 h ARG 276 N 3.83 0.00 -0.15 5.56 3.08 -1.94 -1.72 114.38 123.03 3g35 h ARG 276 Ca 0.12 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3g35 h ARG 276 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3g35 h ARG 276 CO 0.60 0.13 0.10 0.38 -1.07 0.00 0.00 179.97 180.11 3g35 h ASP 277 N 0.00 0.14 -0.54 7.04 2.03 -1.91 -1.44 116.42 121.74 3g35 h ASP 277 Ca -0.00 -0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 3g35 h ASP 277 Cb 0.25 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 3g35 h ASP 277 CO 0.02 0.10 -0.13 0.58 -1.03 0.00 0.00 179.24 178.78 3g35 h VAL 278 N 0.16 1.27 -0.51 4.15 2.07 -1.68 -0.52 116.25 121.19 3g35 h VAL 278 Ca 0.06 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 3g35 h VAL 278 Cb 0.04 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3g35 h VAL 278 CO -0.01 0.46 0.12 -0.07 0.02 0.00 0.00 177.57 178.09 3g35 h LEU 279 N 0.91 0.78 -0.84 2.57 3.38 -1.33 -0.48 115.31 120.29 3g35 h LEU 279 Ca 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3g35 h LEU 279 Cb 0.70 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3g35 h LEU 279 CO 0.05 0.81 0.54 0.00 0.09 0.00 0.00 178.44 179.93 3g35 h ALA 280 N 1.00 1.07 -0.52 1.53 0.00 -1.21 -0.82 119.26 120.30 3g35 h ALA 280 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3g35 h ALA 280 Cb 0.34 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3g35 h ALA 280 CO 0.00 0.49 0.09 0.77 0.00 0.00 0.00 179.25 180.61 3g35 h SER 281 N 1.14 0.82 -0.58 0.00 0.02 -0.75 -0.45 113.55 113.76 3g35 h SER 281 Ca 0.31 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3g35 h SER 281 Cb -0.10 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 3g35 h SER 281 CO -0.06 0.87 0.27 0.00 -1.14 0.00 0.00 176.83 176.76 3g35 h ALA 282 N 0.98 0.74 -0.82 3.77 0.00 -0.83 -1.45 119.26 121.65 3g35 h ALA 282 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3g35 h ALA 282 Cb 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3g35 h ALA 282 CO 0.01 0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.96 3g35 h ALA 283 N 1.10 1.06 -0.54 0.00 0.00 -0.94 -1.56 119.26 118.38 3g35 h ALA 283 Ca 0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3g35 h ALA 283 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3g35 h ALA 283 CO -0.02 0.63 0.14 -0.09 0.00 0.00 0.00 179.25 179.91 3g35 h ARG 284 N 1.17 0.87 -0.36 0.00 2.43 -0.75 0.53 114.38 118.26 3g35 h ARG 284 Ca 0.28 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3g35 h ARG 284 Cb 0.14 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3g35 h ARG 284 CO -0.03 0.81 0.18 0.82 -1.51 0.00 0.00 179.97 180.24 3g35 h ILE 285 N 0.77 0.99 -0.07 1.20 2.04 -1.01 -0.55 117.51 120.87 3g35 h ILE 285 Ca 0.17 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3g35 h ILE 285 Cb 0.33 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3g35 h ILE 285 CO 0.00 0.07 0.05 0.40 0.00 0.00 0.00 178.15 178.66 3g35 h ILE 286 N 0.37 1.02 -0.83 -0.67 1.08 -0.95 -1.94 117.51 115.59 3g35 h ILE 286 Ca 0.15 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.54 3g35 h ILE 286 Cb 0.06 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 3g35 h ILE 286 CO -0.10 0.02 0.38 0.00 -0.69 0.00 0.00 178.15 177.76 3g35 h ALA 287 N 1.02 1.07 0.00 1.87 0.00 -0.67 -2.11 119.26 120.44 3g35 h ALA 287 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3g35 h ALA 287 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3g35 h ALA 287 CO -0.01 0.65 -0.11 0.93 0.00 0.00 0.00 179.25 180.72 3g35 h GLU 288 N 1.19 0.00 -0.00 0.00 5.08 -1.03 -2.95 114.58 116.87 3g35 h GLU 288 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3g35 h GLU 288 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3g35 h GLU 288 CO -0.03 0.11 -0.22 0.41 -1.00 0.00 0.00 179.01 178.27 3g35 n GLY 289 N 0.31 -1.32 0.00 -3.84 0.00 -0.74 -5.09 105.19 94.51 3g35 n GLY 289 Ca 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3g35 n GLY 289 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36