#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a97 s ASP 8 N 0.00 5.52 -0.01 1.61 1.01 -1.12 -4.56 116.67 119.13 3a97 s ASP 8 Ca 0.00 0.78 0.06 0.00 0.71 0.00 0.00 52.55 54.10 3a97 s ASP 8 Cb 0.00 -1.71 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 3a97 s ASP 8 CO 0.00 -1.15 -0.20 -0.69 0.21 0.00 0.00 175.17 173.34 3a97 s VAL 9 N -3.08 1.58 -0.11 -1.27 1.01 -0.15 -1.28 120.40 117.10 3a97 s VAL 9 Ca 0.55 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3a97 s VAL 9 Cb -0.11 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3a97 s VAL 9 CO 0.46 0.40 -0.17 -0.22 0.00 0.00 0.00 175.10 175.58 3a97 s LEU 10 N -0.58 2.53 -0.25 3.92 2.96 -0.56 -0.57 118.68 126.13 3a97 s LEU 10 Ca 0.08 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3a97 s LEU 10 Cb -0.08 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3a97 s LEU 10 CO -0.00 0.19 0.03 -0.63 -1.32 0.00 0.00 176.35 174.62 3a97 s ILE 11 N 0.18 3.85 -0.47 6.68 -1.09 0.38 -0.91 121.20 129.81 3a97 s ILE 11 Ca -0.10 -0.46 -0.15 0.00 -2.23 0.00 0.00 60.65 57.71 3a97 s ILE 11 Cb -0.16 -2.85 0.08 0.00 -1.58 0.00 0.00 42.46 37.95 3a97 s ILE 11 CO 0.06 0.28 0.40 -0.69 -1.23 0.00 0.00 174.94 173.76 3a97 s VAL 12 N 1.53 5.23 0.00 2.92 1.01 -0.73 -1.15 120.40 129.21 3a97 s VAL 12 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3a97 s VAL 12 Cb -0.15 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3a97 s VAL 12 CO 0.01 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.13 3a97 n GLY 13 N 5.20 0.44 2.51 4.51 0.00 0.13 0.39 105.19 118.37 3a97 n GLY 13 Ca -0.12 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3a97 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a97 n SER 14 N 0.00 7.13 -0.93 1.61 3.41 -1.25 -4.03 113.62 119.57 3a97 n SER 14 Ca 0.00 -3.23 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 3a97 n SER 14 Cb 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 3a97 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a97 n GLY 15 N 1.08 1.53 0.28 5.00 0.00 -1.26 -4.59 105.19 107.22 3a97 n GLY 15 Ca 0.54 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 3a97 n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a97 h LEU 16 N 0.00 -0.66 -0.52 0.99 3.38 -1.92 -0.92 115.31 115.67 3a97 h LEU 16 Ca 0.00 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3a97 h LEU 16 Cb 0.00 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3a97 h LEU 16 CO 0.00 -0.34 -0.70 1.62 0.09 0.00 0.00 178.44 179.10 3a97 h VAL 17 N -0.49 1.43 -0.73 1.22 3.04 -1.91 -2.93 116.25 115.89 3a97 h VAL 17 Ca 0.01 -2.22 -0.02 0.00 -1.01 0.00 0.00 66.70 63.45 3a97 h VAL 17 Cb 0.47 2.18 -0.03 0.00 -2.01 0.00 0.00 31.29 31.90 3a97 h VAL 17 CO -0.08 0.65 0.36 1.23 -1.01 0.00 0.00 177.57 178.72 3a97 h GLY 18 N 1.63 1.10 1.16 3.17 0.00 -1.66 -0.67 103.07 107.81 3a97 h GLY 18 Ca -0.02 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 3a97 h GLY 18 CO 0.11 0.49 -0.10 3.21 0.00 0.00 0.00 176.54 180.25 3a97 h ARG 19 N 1.02 0.98 -0.29 4.80 3.08 -1.08 -0.75 114.38 122.15 3a97 h ARG 19 Ca 0.25 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3a97 h ARG 19 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3a97 h ARG 19 CO -0.04 1.02 0.08 0.77 -1.07 0.00 0.00 179.97 180.73 3a97 h SER 20 N 0.88 0.44 -0.80 7.04 0.02 -1.24 -2.28 113.55 117.61 3a97 h SER 20 Ca 0.14 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3a97 h SER 20 Cb 0.65 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 3a97 h SER 20 CO 0.04 0.56 0.53 -0.50 -1.14 0.00 0.00 176.83 176.32 3a97 h TRP 21 N 0.31 1.01 -0.49 3.45 4.06 -0.98 -1.28 115.95 122.04 3a97 h TRP 21 Ca 0.09 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.12 3a97 h TRP 21 Cb 0.28 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 28.05 3a97 h TRP 21 CO 0.01 0.64 0.21 0.00 -3.56 0.00 0.00 178.44 175.74 3a97 h ALA 22 N 1.29 0.61 -0.18 1.49 0.00 -0.87 -0.40 119.26 121.20 3a97 h ALA 22 Ca 0.29 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3a97 h ALA 22 Cb -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a97 h ALA 22 CO -0.06 -0.17 -0.32 0.52 0.00 0.00 0.00 179.25 179.22 3a97 h MET 23 N 0.41 0.37 0.20 0.00 2.86 -0.94 -1.49 114.93 116.34 3a97 h MET 23 Ca 0.23 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3a97 h MET 23 Cb 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3a97 h MET 23 CO -0.20 0.65 -0.09 -0.07 1.06 0.00 0.00 176.91 178.26 3a97 h LEU 24 N 0.32 -0.22 -0.92 1.22 3.38 -0.51 -2.40 115.31 116.16 3a97 h LEU 24 Ca 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3a97 h LEU 24 Cb 0.72 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3a97 h LEU 24 CO 0.06 0.12 0.41 -0.26 0.09 0.00 0.00 178.44 178.85 3a97 h PHE 25 N -0.59 1.17 -0.24 1.13 0.04 -1.06 -2.23 116.94 115.16 3a97 h PHE 25 Ca -0.03 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 3a97 h PHE 25 Cb 0.44 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3a97 h PHE 25 CO 0.03 0.84 -0.05 0.00 -0.60 0.00 0.00 178.31 178.52 3a97 h ALA 26 N 1.27 1.47 0.00 2.45 0.00 -1.28 -0.87 119.26 122.30 3a97 h ALA 26 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a97 h ALA 26 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3a97 h ALA 26 CO -0.04 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.25 3a97 h SER 27 N 0.35 0.00 -0.03 0.00 4.64 -0.87 -0.94 113.55 116.71 3a97 h SER 27 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3a97 h SER 27 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3a97 h SER 27 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3a97 n GLY 28 N -0.20 0.12 1.25 -0.77 0.00 -0.36 -4.55 105.19 100.69 3a97 n GLY 28 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3a97 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a97 n GLY 29 N 1.19 0.71 3.78 -0.02 0.00 -0.36 -5.00 105.19 105.49 3a97 n GLY 29 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3a97 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a97 s PHE 30 N -2.09 3.86 0.01 1.61 0.08 -1.01 -5.02 117.98 115.42 3a97 s PHE 30 Ca 0.00 1.58 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 3a97 s PHE 30 Cb 0.00 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 3a97 s PHE 30 CO 0.00 0.49 1.10 1.03 -0.10 0.00 0.00 175.22 177.74 3a97 s ARG 31 N -1.28 4.48 -0.14 0.44 0.52 -1.26 -4.22 118.95 117.49 3a97 s ARG 31 Ca 0.36 1.59 -0.01 0.00 -0.52 0.00 0.00 55.73 57.16 3a97 s ARG 31 Cb -0.22 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.81 3a97 s ARG 31 CO 0.25 -0.19 -0.12 0.08 0.02 0.00 0.00 175.30 175.34 3a97 s VAL 32 N 1.21 3.11 -0.13 3.52 1.01 0.11 -0.97 120.40 128.25 3a97 s VAL 32 Ca 0.55 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 3a97 s VAL 32 Cb -0.25 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3a97 s VAL 32 CO 0.27 0.51 -0.01 -0.54 0.00 0.00 0.00 175.10 175.33 3a97 s LYS 33 N 0.46 3.46 -0.14 2.72 1.02 0.26 -1.08 119.74 126.44 3a97 s LYS 33 Ca -0.09 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 3a97 s LYS 33 Cb -0.16 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3a97 s LYS 33 CO 0.04 0.41 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.37 3a97 s LEU 34 N -0.08 3.45 -0.03 3.17 1.43 0.92 -0.47 118.68 127.07 3a97 s LEU 34 Ca 0.03 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3a97 s LEU 34 Cb -0.13 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3a97 s LEU 34 CO 0.02 0.23 -0.08 -0.47 0.23 0.00 0.00 176.35 176.29 3a97 s TYR 35 N -0.00 0.85 -0.01 0.29 5.04 -0.30 -0.81 117.35 122.41 3a97 s TYR 35 Ca 0.02 -0.21 -0.21 0.00 -2.44 0.00 0.00 57.07 54.24 3a97 s TYR 35 Cb -0.13 -0.63 0.04 0.00 0.35 0.00 0.00 41.96 41.59 3a97 s TYR 35 CO 0.02 -0.11 0.45 0.34 -1.34 0.00 0.00 175.55 174.91 3a97 s ASP 36 N 0.29 -0.36 0.40 4.32 -1.08 -1.26 0.22 116.67 119.19 3a97 s ASP 36 Ca -0.04 0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.52 3a97 s ASP 36 Cb -0.09 0.41 0.76 0.00 -1.46 0.00 0.00 42.92 42.53 3a97 s ASP 36 CO 0.00 -0.55 1.75 -0.29 0.52 0.00 0.00 175.17 176.60 3a97 h ILE 37 N 3.41 0.00 -3.58 4.11 6.09 -1.98 -3.42 117.51 122.14 3a97 h ILE 37 Ca -0.29 -0.69 -0.68 0.00 -1.37 0.00 0.00 64.86 61.83 3a97 h ILE 37 Cb 1.17 1.66 -0.30 0.00 0.47 0.00 0.00 36.82 39.82 3a97 h ILE 37 CO 0.40 0.00 -0.70 -0.70 -3.07 0.00 0.00 178.15 174.09 3a97 s GLU 38 N -3.31 2.85 0.32 2.19 2.56 -1.26 -5.00 118.70 117.05 3a97 s GLU 38 Ca 0.06 -0.99 0.07 0.00 0.00 0.00 0.00 54.97 54.11 3a97 s GLU 38 Cb 0.08 -3.14 0.75 0.00 2.00 0.00 0.00 34.13 33.82 3a97 s GLU 38 CO 0.59 -0.45 1.82 -1.35 -0.56 0.00 0.00 175.26 175.31 3a97 h PRO 39 N 8.08 0.74 0.00 4.30 0.11 -2.02 -0.72 132.00 142.50 3a97 h PRO 39 Ca -0.30 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3a97 h PRO 39 Cb 1.11 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3a97 h PRO 39 CO 0.58 0.49 -0.10 0.00 -0.21 0.00 0.00 178.00 178.76 3a97 h ARG 40 N 0.76 0.00 0.00 1.05 3.08 -1.98 -1.73 114.38 115.57 3a97 h ARG 40 Ca 0.53 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.43 3a97 h ARG 40 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 3a97 h ARG 40 CO -0.30 0.10 -0.71 1.96 -1.07 0.00 0.00 179.97 179.95 3a97 h GLN 41 N 0.00 0.00 -0.00 0.04 1.08 -1.48 -0.68 115.11 114.06 3a97 h GLN 41 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3a97 h GLN 41 Cb 0.22 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3a97 h GLN 41 CO 0.01 0.71 -0.31 0.82 -0.95 0.00 0.00 178.83 179.11 3a97 h ILE 42 N 0.00 1.52 -0.58 2.54 1.08 -1.31 -1.33 117.51 119.43 3a97 h ILE 42 Ca -0.01 -1.96 -0.01 0.00 -0.39 0.00 0.00 64.86 62.50 3a97 h ILE 42 Cb 1.36 2.72 -0.03 0.00 -3.07 0.00 0.00 36.82 37.80 3a97 h ILE 42 CO 0.09 0.54 0.33 0.74 -0.69 0.00 0.00 178.15 179.16 3a97 h THR 43 N -0.42 1.18 -0.53 -0.27 2.02 -1.37 -1.02 112.91 112.50 3a97 h THR 43 Ca -0.04 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3a97 h THR 43 Cb 1.05 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3a97 h THR 43 CO 0.06 0.20 0.05 1.23 0.37 0.00 0.00 175.52 177.43 3a97 h GLY 44 N 0.78 0.93 0.80 2.16 0.00 -1.17 -2.30 103.07 104.27 3a97 h GLY 44 Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3a97 h GLY 44 CO -0.03 0.56 0.02 0.00 0.00 0.00 0.00 176.54 177.08 3a97 h ALA 45 N 1.24 0.09 -0.76 3.60 0.00 -0.75 -0.51 119.26 122.16 3a97 h ALA 45 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a97 h ALA 45 Cb 0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3a97 h ALA 45 CO 0.01 -0.29 0.48 -0.07 0.00 0.00 0.00 179.25 179.38 3a97 h LEU 46 N -0.11 0.90 0.11 0.00 3.38 -1.11 0.74 115.31 119.22 3a97 h LEU 46 Ca 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3a97 h LEU 46 Cb 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3a97 h LEU 46 CO 0.00 0.67 -0.05 -0.08 0.09 0.00 0.00 178.44 179.07 3a97 h GLU 47 N 1.04 -0.14 -0.70 1.13 4.81 -1.28 -2.23 114.58 117.21 3a97 h GLU 47 Ca 0.28 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3a97 h GLU 47 Cb -0.07 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3a97 h GLU 47 CO -0.05 0.25 0.19 -0.91 -0.73 0.00 0.00 179.01 177.75 3a97 h ASN 48 N -0.56 1.05 -0.44 1.04 -0.26 -0.95 -1.53 115.58 113.93 3a97 h ASN 48 Ca -0.01 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.50 3a97 h ASN 48 Cb 0.45 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 3a97 h ASN 48 CO 0.02 1.00 0.22 0.40 -1.06 0.00 0.00 177.43 178.01 3a97 h ILE 49 N 1.06 1.18 -0.38 2.81 2.04 -0.89 0.14 117.51 123.47 3a97 h ILE 49 Ca 0.22 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3a97 h ILE 49 Cb 0.35 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3a97 h ILE 49 CO -0.00 0.19 0.23 -0.09 0.00 0.00 0.00 178.15 178.48 3a97 h ARG 50 N 0.57 0.46 -0.50 2.37 2.43 -1.12 0.99 114.38 119.58 3a97 h ARG 50 Ca 0.15 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3a97 h ARG 50 Cb 0.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3a97 h ARG 50 CO -0.02 0.31 0.12 0.87 -1.51 0.00 0.00 179.97 179.74 3a97 h LYS 51 N 0.48 0.81 -0.56 0.20 1.57 -0.99 -1.90 116.57 116.18 3a97 h LYS 51 Ca 0.14 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3a97 h LYS 51 Cb -0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3a97 h LYS 51 CO -0.05 0.78 -0.08 1.49 -0.57 0.00 0.00 179.45 181.02 3a97 h GLU 52 N 0.70 1.04 -0.47 3.15 4.57 -0.49 -1.57 114.58 121.50 3a97 h GLU 52 Ca 0.16 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3a97 h GLU 52 Cb 0.34 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3a97 h GLU 52 CO 0.00 1.06 0.31 1.98 -1.18 0.00 0.00 179.01 181.18 3a97 h MET 53 N 0.93 0.61 -0.65 1.92 4.05 -0.65 -0.17 114.93 120.97 3a97 h MET 53 Ca 0.15 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.47 3a97 h MET 53 Cb 0.65 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 3a97 h MET 53 CO 0.04 0.40 0.17 0.87 0.23 0.00 0.00 176.91 178.63 3a97 h LYS 54 N 0.63 1.03 -0.27 0.39 1.79 -1.18 -0.83 116.57 118.12 3a97 h LYS 54 Ca 0.17 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3a97 h LYS 54 Cb -0.07 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.43 3a97 h LYS 54 CO -0.04 0.92 0.15 1.03 -1.08 0.00 0.00 179.45 180.43 3a97 h SER 55 N 0.95 0.33 -0.62 0.86 0.87 -0.88 -0.32 113.55 114.75 3a97 h SER 55 Ca 0.20 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3a97 h SER 55 Cb 0.34 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3a97 h SER 55 CO -0.00 0.31 0.37 -0.07 -0.53 0.00 0.00 176.83 176.91 3a97 h LEU 56 N 0.33 0.76 -0.38 2.23 3.38 -0.86 -2.10 115.31 118.67 3a97 h LEU 56 Ca 0.10 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3a97 h LEU 56 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3a97 h LEU 56 CO -0.02 0.60 0.18 -0.61 0.09 0.00 0.00 178.44 178.69 3a97 h GLN 57 N 0.84 0.37 0.00 1.13 4.15 -0.83 0.48 115.11 121.25 3a97 h GLN 57 Ca 0.22 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 3a97 h GLN 57 Cb -0.00 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 3a97 h GLN 57 CO -0.04 0.24 -0.16 0.37 -1.93 0.00 0.00 178.83 177.32 3a97 h GLN 58 N 0.38 0.00 -0.57 1.69 4.15 -0.68 -1.90 115.11 118.18 3a97 h GLN 58 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3a97 h GLN 58 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3a97 h GLN 58 CO -0.12 0.16 0.00 -1.13 -1.93 0.00 0.00 178.83 175.81 3a97 n SER 59 N -4.21 3.60 -3.63 -0.69 3.41 -0.82 -4.94 113.62 106.34 3a97 n SER 59 Ca -0.02 -1.99 -0.25 0.00 -0.26 0.00 0.00 58.87 56.35 3a97 n SER 59 Cb 0.23 -0.38 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 3a97 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a97 n GLY 60 N 1.57 -0.55 0.42 5.00 0.00 -0.49 -4.90 105.19 106.24 3a97 n GLY 60 Ca 0.22 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.57 3a97 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a97 n SER 61 N -3.00 2.91 -4.76 1.61 7.64 0.16 -5.01 113.62 113.17 3a97 n SER 61 Ca 0.01 -2.76 -0.40 0.00 1.01 0.00 0.00 58.87 56.74 3a97 n SER 61 Cb 0.56 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 3a97 n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3a97 s LEU 62 N -2.33 4.55 0.40 -3.43 1.43 -1.23 -4.88 118.68 113.19 3a97 s LEU 62 Ca 0.30 2.12 -0.15 0.00 -1.03 0.00 0.00 54.13 55.36 3a97 s LEU 62 Cb 0.24 -3.68 -0.08 0.00 0.03 0.00 0.00 46.19 42.70 3a97 s LEU 62 CO 0.06 -0.05 0.84 -0.54 0.23 0.00 0.00 176.35 176.89 3a97 s LYS 63 N -1.45 3.98 1.31 1.70 1.02 -1.26 -4.94 119.74 120.10 3a97 s LYS 63 Ca 0.44 0.76 0.00 0.00 0.02 0.00 0.00 55.97 57.19 3a97 s LYS 63 Cb -0.28 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3a97 s LYS 63 CO 0.36 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 3a97 n GLY 64 N -0.91 -1.77 0.45 -3.33 0.00 -1.26 -4.55 105.19 93.82 3a97 n GLY 64 Ca 0.04 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 44.79 3a97 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a97 n SER 65 N 0.06 2.21 -4.83 1.61 3.41 -1.26 -5.00 113.62 109.82 3a97 n SER 65 Ca 0.00 -1.65 -0.36 0.00 -0.26 0.00 0.00 58.87 56.60 3a97 n SER 65 Cb 0.00 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 3a97 n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3a97 s LEU 66 N -0.88 4.38 0.78 1.04 1.43 -1.26 -5.06 118.68 119.12 3a97 s LEU 66 Ca 0.15 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 3a97 s LEU 66 Cb 0.09 -3.27 0.06 0.00 0.03 0.00 0.00 46.19 43.10 3a97 s LEU 66 CO 0.12 0.12 1.11 -0.94 0.23 0.00 0.00 176.35 176.99 3a97 s SER 67 N -1.57 4.31 0.31 2.29 1.04 -1.26 -4.81 113.70 114.01 3a97 s SER 67 Ca 0.37 1.92 -0.01 0.00 0.48 0.00 0.00 55.95 58.71 3a97 s SER 67 Cb -0.16 -2.53 0.50 0.00 0.10 0.00 0.00 66.02 63.92 3a97 s SER 67 CO 0.20 -2.17 1.98 0.00 0.98 0.00 0.00 173.24 174.23 3a97 h ALA 68 N -1.10 1.45 -0.06 5.32 0.00 -1.97 -0.87 119.26 122.03 3a97 h ALA 68 Ca -0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3a97 h ALA 68 Cb 1.24 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3a97 h ALA 68 CO 0.50 0.51 0.03 0.93 0.00 0.00 0.00 179.25 181.22 3a97 h GLU 69 N 1.05 0.09 -0.62 0.00 3.07 -1.97 -0.18 114.58 116.02 3a97 h GLU 69 Ca 0.28 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.07 3a97 h GLU 69 Cb -0.12 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 3a97 h GLU 69 CO -0.06 0.17 0.16 1.49 -1.40 0.00 0.00 179.01 179.36 3a97 h GLU 70 N -0.01 0.99 -0.46 2.33 4.81 -1.83 -1.98 114.58 118.43 3a97 h GLU 70 Ca 0.02 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3a97 h GLU 70 Cb 0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3a97 h GLU 70 CO -0.00 0.90 0.29 1.96 -0.73 0.00 0.00 179.01 181.43 3a97 h GLN 71 N 0.91 0.57 -0.63 1.92 4.20 -0.99 -2.30 115.11 118.79 3a97 h GLN 71 Ca 0.20 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3a97 h GLN 71 Cb 0.35 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3a97 h GLN 71 CO 0.00 0.38 0.32 -0.07 -0.67 0.00 0.00 178.83 178.79 3a97 h LEU 72 N 0.59 0.80 -2.10 1.46 3.38 -0.80 -1.96 115.31 116.68 3a97 h LEU 72 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3a97 h LEU 72 Cb -0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3a97 h LEU 72 CO -0.06 0.67 -0.06 0.77 0.09 0.00 0.00 178.44 179.85 3a97 h SER 73 N 0.89 0.00 1.16 -0.43 4.64 -0.80 -2.04 113.55 116.97 3a97 h SER 73 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3a97 h SER 73 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3a97 h SER 73 CO -0.03 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 3a97 n LEU 74 N -3.37 0.33 -4.51 5.97 4.77 -0.74 -4.75 117.00 114.70 3a97 n LEU 74 Ca -0.02 0.53 -0.37 0.00 -0.03 0.00 0.00 56.01 56.13 3a97 n LEU 74 Cb 0.21 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 3a97 n LEU 74 CO 0.27 -0.09 -0.24 -0.63 -1.33 0.00 0.00 177.39 175.36 3a97 s ILE 75 N -3.05 4.71 0.32 -0.08 1.01 -0.77 0.04 121.20 123.38 3a97 s ILE 75 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.79 3a97 s ILE 75 Cb 0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 3a97 s ILE 75 CO 0.54 0.32 0.25 -0.94 0.00 0.00 0.00 174.94 175.11 3a97 s SER 76 N 1.54 1.59 0.22 3.58 1.04 -0.24 -5.00 113.70 116.44 3a97 s SER 76 Ca 0.06 -1.71 0.11 0.00 0.48 0.00 0.00 55.95 54.89 3a97 s SER 76 Cb -0.15 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 3a97 s SER 76 CO 0.06 -1.02 -0.21 -0.94 0.98 0.00 0.00 173.24 172.10 3a97 s SER 77 N -3.37 3.32 0.00 7.02 1.04 -1.26 -0.05 113.70 120.40 3a97 s SER 77 Ca 0.39 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.92 3a97 s SER 77 Cb 0.03 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 3a97 s SER 77 CO 0.25 0.05 -0.10 0.00 0.98 0.00 0.00 173.24 174.42 3a97 n THR 79 N 2.66 1.50 -3.58 0.00 -2.24 -1.26 -4.49 114.28 106.87 3a97 n THR 79 Ca -0.14 -0.81 -0.39 0.00 -2.27 0.00 0.00 64.05 60.43 3a97 n THR 79 Cb 0.56 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.89 3a97 n THR 79 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3a97 s ASN 80 N -5.85 5.88 0.15 3.42 3.84 -1.26 -4.99 114.94 116.14 3a97 s ASN 80 Ca -0.09 -0.36 -0.16 0.00 0.21 0.00 0.00 52.86 52.45 3a97 s ASN 80 Cb 0.07 -2.09 0.03 0.00 -0.55 0.00 0.00 41.25 38.71 3a97 s ASN 80 CO 0.81 -0.18 1.80 0.25 -2.79 0.00 0.00 177.10 176.99 3a97 h LEU 81 N 8.42 0.39 -0.90 3.21 5.85 -1.98 0.24 115.31 130.54 3a97 h LEU 81 Ca -0.32 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.54 3a97 h LEU 81 Cb 1.16 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 3a97 h LEU 81 CO 0.61 0.28 0.51 0.00 -0.34 0.00 0.00 178.44 179.50 3a97 h ALA 82 N 1.17 1.37 0.03 1.25 0.00 -1.98 0.08 119.26 121.18 3a97 h ALA 82 Ca 0.15 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3a97 h ALA 82 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3a97 h ALA 82 CO -0.06 -0.00 -0.99 0.93 0.00 0.00 0.00 179.25 179.13 3a97 h GLU 83 N 0.74 0.12 -0.13 0.00 5.08 -1.86 -3.29 114.58 115.24 3a97 h GLU 83 Ca 0.48 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3a97 h GLU 83 Cb 0.62 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3a97 h GLU 83 CO -0.33 1.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.69 3a97 h ALA 84 N 0.93 1.76 -0.00 3.43 0.00 0.14 -2.15 119.26 123.37 3a97 h ALA 84 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a97 h ALA 84 Cb 1.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3a97 h ALA 84 CO 0.14 0.19 -0.06 1.33 0.00 0.00 0.00 179.25 180.85 3a97 n VAL 85 N -4.43 0.00 -1.70 0.00 0.24 -0.68 -4.78 118.33 106.99 3a97 n VAL 85 Ca -0.01 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.85 3a97 n VAL 85 Cb 0.15 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 3a97 n VAL 85 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3a97 s GLU 86 N -2.58 4.13 -1.92 7.34 2.12 -0.81 -2.39 118.70 124.59 3a97 s GLU 86 Ca 0.27 2.62 0.00 0.00 0.36 0.00 0.00 54.97 58.22 3a97 s GLU 86 Cb 0.20 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3a97 s GLU 86 CO 0.48 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 3a97 n GLY 87 N 4.26 1.50 3.82 -1.50 0.00 -1.26 -4.96 105.19 107.05 3a97 n GLY 87 Ca 0.18 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3a97 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a97 s VAL 88 N -2.72 5.26 -0.44 1.61 1.01 -1.01 -2.44 120.40 121.66 3a97 s VAL 88 Ca 0.00 0.56 0.16 0.00 0.00 0.00 0.00 61.98 62.70 3a97 s VAL 88 Cb 0.00 -3.59 -0.20 0.00 0.00 0.00 0.00 36.38 32.58 3a97 s VAL 88 CO 0.00 0.54 0.54 1.33 0.00 0.00 0.00 175.10 177.51 3a97 n VAL 89 N 2.35 0.00 -3.71 2.92 0.24 -0.41 -4.45 118.33 115.28 3a97 n VAL 89 Ca -0.15 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 3a97 n VAL 89 Cb 0.53 0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 33.42 3a97 n VAL 89 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3a97 s HIS 90 N -2.74 -0.40 -0.20 6.34 5.65 -1.24 -1.71 115.29 120.98 3a97 s HIS 90 Ca 0.01 0.92 0.00 0.00 0.25 0.00 0.00 55.06 56.24 3a97 s HIS 90 Cb 0.11 0.09 0.02 0.00 -1.18 0.00 0.00 32.58 31.62 3a97 s HIS 90 CO 0.66 -0.27 -0.16 0.42 -0.65 0.00 0.00 174.74 174.73 3a97 s ILE 91 N 1.41 2.30 -0.33 0.89 1.01 0.06 -1.49 121.20 125.05 3a97 s ILE 91 Ca -0.08 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 3a97 s ILE 91 Cb -0.10 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.35 3a97 s ILE 91 CO -0.10 0.45 0.15 -1.58 0.00 0.00 0.00 174.94 173.86 3a97 s GLN 92 N 1.30 2.99 0.00 2.79 2.00 -0.09 -0.36 119.66 128.29 3a97 s GLN 92 Ca 0.03 -0.94 -0.29 0.00 -2.00 0.00 0.00 55.36 52.16 3a97 s GLN 92 Cb -0.14 -3.56 -0.03 0.00 0.80 0.00 0.00 33.01 30.08 3a97 s GLN 92 CO -0.10 -0.56 0.95 -2.00 -0.50 0.00 0.00 175.29 173.08 3a97 s GLU 93 N 1.53 4.56 -0.29 1.67 -6.30 0.20 -1.77 118.70 118.30 3a97 s GLU 93 Ca 0.02 1.38 0.18 0.00 -2.50 0.00 0.00 54.97 54.05 3a97 s GLU 93 Cb -0.18 -3.45 0.48 0.00 0.00 0.00 0.00 34.13 30.98 3a97 s GLU 93 CO 0.05 -0.02 1.08 0.00 0.02 0.00 0.00 175.26 176.38 3a97 s VAL 95 N -3.87 2.59 0.70 0.00 -7.23 -1.24 -4.58 120.40 106.78 3a97 s VAL 95 Ca 0.32 -0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 59.70 3a97 s VAL 95 Cb 0.38 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 3a97 s VAL 95 CO -0.02 0.00 0.41 -2.65 -0.31 0.00 0.00 175.10 172.53 3a97 n PRO 96 N -2.43 0.28 -1.79 4.82 -0.02 -1.26 -4.79 135.00 129.81 3a97 n PRO 96 Ca 0.08 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.30 3a97 n PRO 96 Cb 0.60 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 3a97 n PRO 96 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3a97 n GLU 97 N -0.32 2.13 -3.69 -0.52 4.07 -1.26 -4.73 120.64 116.32 3a97 n GLU 97 Ca 0.09 -2.44 -0.23 0.00 -0.06 0.00 0.00 57.16 54.52 3a97 n GLU 97 Cb 0.50 -3.32 -0.18 0.00 -0.06 0.00 0.00 31.44 28.38 3a97 n GLU 97 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3a97 s ASN 98 N 4.88 1.69 0.16 4.31 3.84 -1.26 -5.06 114.94 123.51 3a97 s ASN 98 Ca 0.58 -0.20 -0.16 0.00 0.21 0.00 0.00 52.86 53.29 3a97 s ASN 98 Cb 0.08 -0.29 0.10 0.00 -0.55 0.00 0.00 41.25 40.59 3a97 s ASN 98 CO 0.07 -0.26 1.72 0.25 -2.79 0.00 0.00 177.10 176.09 3a97 h LEU 99 N 8.39 -0.04 -0.62 3.21 5.85 -2.00 -0.96 115.31 129.15 3a97 h LEU 99 Ca -0.15 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3a97 h LEU 99 Cb 1.13 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 3a97 h LEU 99 CO 0.23 0.01 0.35 0.44 -0.34 0.00 0.00 178.44 179.13 3a97 h ASP 100 N 0.17 0.53 -0.16 1.25 3.32 -1.98 -0.91 116.42 118.64 3a97 h ASP 100 Ca 0.19 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3a97 h ASP 100 Cb 0.24 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3a97 h ASP 100 CO -0.27 0.35 0.02 0.25 -1.72 0.00 0.00 179.24 177.88 3a97 h LEU 101 N 0.66 0.25 -0.88 1.55 5.85 -1.82 -2.02 115.31 118.89 3a97 h LEU 101 Ca 0.27 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3a97 h LEU 101 Cb 0.13 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3a97 h LEU 101 CO -0.15 0.46 0.47 0.11 -0.34 0.00 0.00 178.44 178.98 3a97 h LYS 102 N 0.04 1.25 -0.85 1.25 1.57 -0.97 -0.92 116.57 117.95 3a97 h LYS 102 Ca 0.05 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3a97 h LYS 102 Cb 0.31 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3a97 h LYS 102 CO 0.00 0.93 0.56 0.00 -0.57 0.00 0.00 179.45 180.37 3a97 h ARG 103 N 1.25 1.12 -0.58 3.15 3.08 -1.06 -0.75 114.38 120.59 3a97 h ARG 103 Ca 0.31 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 3a97 h ARG 103 Cb 0.06 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3a97 h ARG 103 CO -0.05 0.74 0.19 -0.22 -1.07 0.00 0.00 179.97 179.57 3a97 h LYS 104 N 1.15 0.89 -0.15 0.04 3.64 -0.67 -1.01 116.57 120.46 3a97 h LYS 104 Ca 0.31 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3a97 h LYS 104 Cb -0.13 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3a97 h LYS 104 CO -0.07 0.80 0.09 0.82 -2.27 0.00 0.00 179.45 178.82 3a97 h ILE 105 N 0.81 1.03 -0.01 2.00 1.08 -0.49 -0.83 117.51 121.09 3a97 h ILE 105 Ca 0.19 -0.07 -0.09 0.00 -0.39 0.00 0.00 64.86 64.50 3a97 h ILE 105 Cb 0.27 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 3a97 h ILE 105 CO -0.01 0.04 -0.42 -0.26 -0.69 0.00 0.00 178.15 176.80 3a97 h PHE 106 N 0.20 0.04 -0.36 1.37 0.04 -1.02 -1.03 116.94 116.17 3a97 h PHE 106 Ca 0.06 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.69 3a97 h PHE 106 Cb -0.01 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3a97 h PHE 106 CO -0.07 0.45 -0.30 0.00 -0.60 0.00 0.00 178.31 177.79 3a97 h ALA 107 N 1.55 0.78 -0.47 2.45 0.00 -0.87 0.18 119.26 122.89 3a97 h ALA 107 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3a97 h ALA 107 Cb 0.76 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3a97 h ALA 107 CO 0.06 0.65 -0.17 1.96 0.00 0.00 0.00 179.25 181.74 3a97 h GLN 108 N 0.67 0.91 -0.34 0.00 4.20 -0.66 -2.96 115.11 116.93 3a97 h GLN 108 Ca 0.08 -0.36 -0.18 0.00 0.06 0.00 0.00 58.65 58.25 3a97 h GLN 108 Cb 0.84 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 3a97 h GLN 108 CO 0.07 1.01 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.70 3a97 h LEU 109 N 0.80 1.00 -1.84 1.46 3.38 -1.01 -3.17 115.31 115.93 3a97 h LEU 109 Ca 0.12 -0.50 0.17 0.00 0.09 0.00 0.00 57.88 57.76 3a97 h LEU 109 Cb 0.72 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3a97 h LEU 109 CO 0.06 1.30 0.47 -0.78 0.09 0.00 0.00 178.44 179.58 3a97 h ASP 110 N 0.72 0.15 0.73 -0.43 3.58 -0.48 -1.21 116.42 119.48 3a97 h ASP 110 Ca 0.04 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3a97 h ASP 110 Cb 1.08 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.11 3a97 h ASP 110 CO 0.11 0.07 -0.23 -1.54 -2.88 0.00 0.00 179.24 174.77 3a97 n SER 111 N -4.40 0.26 0.00 2.28 3.41 -1.16 -4.25 113.62 109.76 3a97 n SER 111 Ca 0.13 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3a97 n SER 111 Cb 0.64 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3a97 n SER 111 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3a97 n ILE 112 N -1.46 0.00 -2.88 -1.33 -5.35 -0.53 -5.08 119.36 102.74 3a97 n ILE 112 Ca 0.07 -0.43 -0.24 0.00 -0.27 0.00 0.00 62.75 61.87 3a97 n ILE 112 Cb 0.33 0.98 0.01 0.00 -1.74 0.00 0.00 39.64 39.22 3a97 n ILE 112 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3a97 s VAL 113 N -0.92 4.21 0.00 7.28 -7.23 -0.76 -5.04 120.40 117.94 3a97 s VAL 113 Ca 0.00 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 3a97 s VAL 113 Cb 0.00 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.36 3a97 s VAL 113 CO 0.00 -0.46 0.00 -0.90 -0.31 0.00 0.00 175.10 173.43 3a97 n ASP 114 N -2.16 0.00 -0.62 4.85 5.68 -1.26 -5.01 116.55 118.04 3a97 n ASP 114 Ca 0.01 -0.81 0.13 0.00 -0.50 0.00 0.00 54.79 53.62 3a97 n ASP 114 Cb 0.57 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.95 3a97 n ASP 114 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a97 n ASP 115 N -2.42 1.91 -0.11 -1.12 5.75 -1.26 -4.33 116.55 114.97 3a97 n ASP 115 Ca 0.00 -1.66 -0.23 0.00 -0.01 0.00 0.00 54.79 52.89 3a97 n ASP 115 Cb 0.00 -0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 39.95 3a97 n ASP 115 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3a97 n ARG 116 N 0.49 0.57 -1.66 0.11 0.63 -1.26 -4.98 116.66 110.56 3a97 n ARG 116 Ca 0.18 0.52 -0.44 0.00 -0.92 0.00 0.00 57.85 57.19 3a97 n ARG 116 Cb 0.41 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.60 3a97 n ARG 116 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3a97 n VAL 117 N -4.40 1.70 -3.44 5.15 3.14 -1.26 -4.98 118.33 114.24 3a97 n VAL 117 Ca -0.36 -0.43 -0.37 0.00 -2.96 0.00 0.00 64.34 60.22 3a97 n VAL 117 Cb 0.72 -1.38 -0.06 0.00 -1.06 0.00 0.00 33.84 32.05 3a97 n VAL 117 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3a97 s VAL 118 N -0.80 5.24 -0.46 1.55 1.01 -0.70 -4.84 120.40 121.39 3a97 s VAL 118 Ca 0.60 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 3a97 s VAL 118 Cb -0.63 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.11 3a97 s VAL 118 CO 0.58 0.38 0.36 -0.76 0.00 0.00 0.00 175.10 175.66 3a97 s LEU 119 N 0.39 5.51 -0.11 3.92 1.43 -0.06 -0.76 118.68 128.99 3a97 s LEU 119 Ca 0.21 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 3a97 s LEU 119 Cb -0.14 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 3a97 s LEU 119 CO 0.07 -0.62 -0.15 -0.55 0.23 0.00 0.00 176.35 175.33 3a97 s SER 120 N 2.50 3.89 -0.08 2.29 0.15 0.51 -1.53 113.70 121.43 3a97 s SER 120 Ca 0.04 -0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 3a97 s SER 120 Cb -0.24 -1.45 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 3a97 s SER 120 CO 0.05 0.19 0.11 -0.55 1.20 0.00 0.00 173.24 174.24 3a97 s SER 121 N 0.17 6.03 0.00 5.45 0.15 -0.30 0.62 113.70 125.82 3a97 s SER 121 Ca -0.08 0.34 0.28 0.00 0.70 0.00 0.00 55.95 57.18 3a97 s SER 121 Cb -0.15 -1.86 1.08 0.00 -1.71 0.00 0.00 66.02 63.37 3a97 s SER 121 CO 0.05 0.36 1.76 -1.20 1.20 0.00 0.00 173.24 175.41 3a97 n SER 122 N 1.77 1.42 -3.46 5.45 7.64 -0.76 0.10 113.62 125.79 3a97 n SER 122 Ca -0.18 -1.49 -0.44 0.00 1.01 0.00 0.00 58.87 57.78 3a97 n SER 122 Cb 0.54 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 3a97 n SER 122 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3a97 n SER 123 N 0.11 -0.16 0.11 6.43 2.88 -1.26 -4.53 113.62 117.19 3a97 n SER 123 Ca 0.19 0.89 -0.01 0.00 -1.33 0.00 0.00 58.87 58.61 3a97 n SER 123 Cb 0.34 -0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 63.05 3a97 n SER 123 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3a97 h SER 124 N 2.07 0.00 0.00 -3.46 0.02 -1.96 -3.43 113.55 106.80 3a97 h SER 124 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3a97 h SER 124 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3a97 h SER 124 CO 0.49 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.87 3a97 s LEU 126 N 0.00 4.37 0.30 0.00 1.43 -1.26 -4.64 118.68 118.88 3a97 s LEU 126 Ca 0.00 2.74 -0.27 0.00 -1.03 0.00 0.00 54.13 55.57 3a97 s LEU 126 Cb 0.00 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 3a97 s LEU 126 CO 0.00 -0.78 0.95 -0.76 0.23 0.00 0.00 176.35 175.99 3a97 s LEU 127 N -0.20 4.44 0.36 1.79 1.43 -1.26 -4.95 118.68 120.28 3a97 s LEU 127 Ca 0.62 1.89 0.10 0.00 -1.03 0.00 0.00 54.13 55.70 3a97 s LEU 127 Cb -0.44 -3.88 0.85 0.00 0.03 0.00 0.00 46.19 42.75 3a97 s LEU 127 CO 0.43 -0.00 1.85 -0.65 0.23 0.00 0.00 176.35 178.21 3a97 h PRO 128 N 3.49 0.64 -0.34 1.29 0.11 -1.88 -0.50 132.00 134.81 3a97 h PRO 128 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3a97 h PRO 128 Cb 1.19 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3a97 h PRO 128 CO 0.66 0.42 0.10 0.66 -0.21 0.00 0.00 178.00 179.63 3a97 h SER 129 N 0.66 0.44 1.29 -2.05 4.64 -1.93 0.55 113.55 117.15 3a97 h SER 129 Ca 0.47 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 3a97 h SER 129 Cb 0.82 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3a97 h SER 129 CO -0.22 0.44 -0.73 0.11 -0.87 0.00 0.00 176.83 175.55 3a97 h LYS 130 N 0.48 0.00 0.15 4.77 1.79 -1.51 -3.25 116.57 119.00 3a97 h LYS 130 Ca 0.12 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.25 3a97 h LYS 130 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3a97 h LYS 130 CO -0.01 0.43 -1.73 -0.07 -1.08 0.00 0.00 179.45 177.00 3a97 h LEU 131 N 0.00 0.51 -0.05 2.94 3.38 -0.70 -3.43 115.31 117.96 3a97 h LEU 131 Ca -0.04 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.01 3a97 h LEU 131 Cb 1.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3a97 h LEU 131 CO 0.06 1.77 -0.41 0.49 0.09 0.00 0.00 178.44 180.43 3a97 n PHE 132 N -3.66 0.00 -1.74 1.13 3.72 0.13 -4.70 117.46 112.33 3a97 n PHE 132 Ca -0.27 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.72 3a97 n PHE 132 Cb 1.02 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.55 3a97 n PHE 132 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3a97 n THR 133 N -1.15 1.12 0.00 4.37 -1.04 -1.23 -2.12 114.28 114.24 3a97 n THR 133 Ca 0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3a97 n THR 133 Cb 0.15 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 3a97 n THR 133 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a97 n GLY 134 N 1.98 1.04 3.75 3.41 0.00 -1.26 -5.05 105.19 109.06 3a97 n GLY 134 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3a97 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a97 s LEU 135 N 0.00 4.63 0.23 0.99 1.43 -0.90 -4.96 118.68 120.10 3a97 s LEU 135 Ca 0.00 1.99 -0.07 0.00 -1.03 0.00 0.00 54.13 55.03 3a97 s LEU 135 Cb 0.00 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.80 3a97 s LEU 135 CO 0.00 0.11 1.82 0.00 0.23 0.00 0.00 176.35 178.51 3a97 h ALA 136 N 4.08 1.12 -0.74 4.21 0.00 -1.90 -2.74 119.26 123.29 3a97 h ALA 136 Ca -0.45 -0.17 -0.41 0.00 0.00 0.00 0.00 54.91 53.88 3a97 h ALA 136 Cb 1.20 -0.33 -0.23 0.00 0.00 0.00 0.00 17.79 18.43 3a97 h ALA 136 CO 0.68 0.66 0.52 0.72 0.00 0.00 0.00 179.25 181.83 3a97 n HIS 137 N -4.30 2.30 0.11 0.00 8.25 -1.26 -4.62 115.22 115.70 3a97 n HIS 137 Ca 0.08 -1.68 0.14 0.00 -0.26 0.00 0.00 57.72 56.00 3a97 n HIS 137 Cb 0.15 -0.85 0.65 0.00 1.12 0.00 0.00 29.99 31.06 3a97 n HIS 137 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3a97 h VAL 138 N 0.79 0.87 0.00 1.59 3.04 -1.78 -0.51 116.25 120.25 3a97 h VAL 138 Ca 0.47 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 66.14 3a97 h VAL 138 Cb 2.12 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 32.22 3a97 h VAL 138 CO 0.89 0.01 -0.03 0.11 -1.01 0.00 0.00 177.57 177.54 3a97 h LYS 139 N 0.04 0.00 -0.33 4.17 1.57 -1.82 -1.83 116.57 118.38 3a97 h LYS 139 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3a97 h LYS 139 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3a97 h LYS 139 CO -0.01 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 179.94 3a97 n GLN 140 N -3.27 2.38 -3.59 3.15 6.02 -0.20 -1.80 117.38 120.07 3a97 n GLN 140 Ca -0.02 -2.08 -0.32 0.00 -0.01 0.00 0.00 57.00 54.57 3a97 n GLN 140 Cb 0.17 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 3a97 n GLN 140 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a97 s ILE 142 N -1.63 0.00 -0.18 0.00 2.07 -0.58 -4.39 121.20 116.49 3a97 s ILE 142 Ca 0.40 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.57 3a97 s ILE 142 Cb -0.12 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 3a97 s ILE 142 CO 0.22 0.00 0.05 -0.69 -1.91 0.00 0.00 174.94 172.61 3a97 s VAL 143 N -2.86 4.67 -0.51 4.00 1.01 0.17 -1.15 120.40 125.73 3a97 s VAL 143 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3a97 s VAL 143 Cb -0.01 -3.10 0.14 0.00 0.00 0.00 0.00 36.38 33.41 3a97 s VAL 143 CO -0.07 0.46 0.30 0.00 0.00 0.00 0.00 175.10 175.78 3a97 s ALA 144 N 0.41 2.83 -0.40 5.51 0.00 0.12 -0.62 121.76 129.61 3a97 s ALA 144 Ca 0.02 -3.06 -0.23 0.00 0.00 0.00 0.00 51.96 48.70 3a97 s ALA 144 Cb -0.13 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.99 3a97 s ALA 144 CO 0.01 -2.05 0.76 -1.58 0.00 0.00 0.00 175.76 172.89 3a97 s HIS 145 N -0.22 3.07 0.83 0.00 5.65 -0.08 -4.19 115.29 120.35 3a97 s HIS 145 Ca 0.19 0.34 -0.09 0.00 0.25 0.00 0.00 55.06 55.75 3a97 s HIS 145 Cb -0.20 -3.47 0.15 0.00 -1.18 0.00 0.00 32.58 27.88 3a97 s HIS 145 CO -0.04 -0.83 1.16 -1.25 -0.65 0.00 0.00 174.74 173.13 3a97 s PRO 146 N 3.11 1.27 -0.12 2.88 0.04 -1.26 -0.46 135.00 140.46 3a97 s PRO 146 Ca 0.29 -0.63 0.02 0.00 0.04 0.00 0.00 61.00 60.72 3a97 s PRO 146 Cb -0.13 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3a97 s PRO 146 CO 0.19 -1.88 -0.17 0.08 0.04 0.00 0.00 177.00 175.27 3a97 s VAL 147 N -3.52 1.62 0.10 -0.36 1.01 -1.23 -4.92 120.40 113.11 3a97 s VAL 147 Ca 0.69 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3a97 s VAL 147 Cb -0.05 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3a97 s VAL 147 CO 0.49 0.47 1.34 0.21 0.00 0.00 0.00 175.10 177.60 3a97 s ASN 148 N 0.96 6.90 -0.24 3.32 3.84 -1.26 -0.93 114.94 127.53 3a97 s ASN 148 Ca -0.06 2.24 -0.21 0.00 0.21 0.00 0.00 52.86 55.03 3a97 s ASN 148 Cb -0.15 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 37.95 3a97 s ASN 148 CO -0.02 -0.60 0.68 -2.16 -2.79 0.00 0.00 177.10 172.21 3a97 s PRO 149 N 1.08 4.15 0.53 0.43 0.04 -1.26 -4.95 135.00 135.02 3a97 s PRO 149 Ca 0.63 0.66 0.28 0.00 0.04 0.00 0.00 61.00 62.60 3a97 s PRO 149 Cb -0.35 -3.63 1.43 0.00 0.04 0.00 0.00 34.50 31.99 3a97 s PRO 149 CO 0.30 -0.40 1.96 -1.35 0.04 0.00 0.00 177.00 177.55 3a97 h PRO 150 N 7.76 0.00 0.00 0.56 0.11 -1.25 -0.53 132.00 138.65 3a97 h PRO 150 Ca -0.27 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3a97 h PRO 150 Cb 1.12 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3a97 h PRO 150 CO 0.80 0.00 -0.19 -0.92 -0.21 0.00 0.00 178.00 177.48 3a97 h TYR 151 N 0.00 0.00 0.00 0.65 3.20 -1.89 -3.31 116.97 115.63 3a97 h TYR 151 Ca 0.32 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.91 3a97 h TYR 151 Cb 1.27 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 3a97 h TYR 151 CO -0.00 0.19 -2.03 0.66 -1.64 0.00 0.00 178.16 175.34 3a97 n TYR 152 N -3.41 0.00 -3.46 -3.82 4.01 -0.57 -4.88 117.16 105.04 3a97 n TYR 152 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3a97 n TYR 152 Cb 0.38 -0.72 -0.10 0.00 -0.31 0.00 0.00 39.34 38.60 3a97 n TYR 152 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3a97 s ILE 153 N -2.36 5.24 0.07 -0.72 1.01 -0.31 -4.66 121.20 119.47 3a97 s ILE 153 Ca -0.16 -0.42 0.31 0.00 0.00 0.00 0.00 60.65 60.37 3a97 s ILE 153 Cb 0.05 -3.87 0.35 0.00 0.01 0.00 0.00 42.46 39.00 3a97 s ILE 153 CO 0.51 -0.22 1.92 1.55 0.00 0.00 0.00 174.94 178.71 3a97 h PRO 154 N 8.59 0.00 -6.55 2.79 0.13 -1.88 -3.40 132.00 131.67 3a97 h PRO 154 Ca -0.28 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 3a97 h PRO 154 Cb 1.13 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.34 3a97 h PRO 154 CO 0.71 0.05 0.65 -0.11 -0.23 0.00 0.00 178.00 179.07 3a97 n LEU 155 N -3.17 3.02 -3.71 1.56 7.94 -1.26 0.11 117.00 121.50 3a97 n LEU 155 Ca 0.01 1.13 -0.25 0.00 -1.11 0.00 0.00 56.01 55.79 3a97 n LEU 155 Cb 0.35 -1.42 -0.17 0.00 0.53 0.00 0.00 43.42 42.71 3a97 n LEU 155 CO 0.29 -0.47 -0.36 -0.69 -1.11 0.00 0.00 177.39 175.05 3a97 s VAL 156 N 0.20 0.25 -0.35 1.96 1.01 -0.85 -3.49 120.40 119.13 3a97 s VAL 156 Ca 0.71 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 3a97 s VAL 156 Cb -0.67 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3a97 s VAL 156 CO 0.47 -0.02 0.89 -1.61 0.00 0.00 0.00 175.10 174.83 3a97 s GLU 157 N 2.00 3.88 -0.44 2.72 2.02 0.40 -1.68 118.70 127.59 3a97 s GLU 157 Ca 0.02 0.60 -0.19 0.00 0.02 0.00 0.00 54.97 55.42 3a97 s GLU 157 Cb -0.15 -3.78 0.03 0.00 0.10 0.00 0.00 34.13 30.33 3a97 s GLU 157 CO -0.07 -0.87 0.57 -0.51 0.02 0.00 0.00 175.26 174.40 3a97 s LEU 158 N 3.33 4.68 -0.24 1.80 1.43 -0.68 -0.90 118.68 128.10 3a97 s LEU 158 Ca 0.37 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3a97 s LEU 158 Cb -0.13 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.54 3a97 s LEU 158 CO 0.17 -0.72 -0.07 -0.69 0.23 0.00 0.00 176.35 175.26 3a97 s VAL 159 N 2.55 2.84 0.48 -1.59 1.01 0.20 -1.28 120.40 124.62 3a97 s VAL 159 Ca 0.18 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3a97 s VAL 159 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3a97 s VAL 159 CO 0.16 0.25 0.76 -2.16 0.00 0.00 0.00 175.10 174.12 3a97 s PRO 160 N 1.33 3.36 0.34 2.72 0.04 -1.26 -0.65 135.00 140.89 3a97 s PRO 160 Ca 0.01 0.02 -0.07 0.00 0.04 0.00 0.00 61.00 61.00 3a97 s PRO 160 Cb -0.16 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 3a97 s PRO 160 CO -0.05 -0.26 0.65 -1.58 0.04 0.00 0.00 177.00 175.80 3a97 s HIS 161 N -2.72 3.48 0.59 0.56 2.46 -1.26 -4.39 115.29 114.02 3a97 s HIS 161 Ca 0.48 0.81 0.29 0.00 0.47 0.00 0.00 55.06 57.11 3a97 s HIS 161 Cb -0.10 -2.25 1.57 0.00 -0.13 0.00 0.00 32.58 31.67 3a97 s HIS 161 CO 0.43 0.04 1.99 -1.35 -2.47 0.00 0.00 174.74 173.38 3a97 h PRO 162 N 1.46 0.00 -0.03 2.88 0.11 -1.97 0.03 132.00 134.48 3a97 h PRO 162 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3a97 h PRO 162 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3a97 h PRO 162 CO 0.65 0.00 -0.06 0.39 -0.21 0.00 0.00 178.00 178.77 3a97 n GLU 163 N -3.70 2.06 -1.76 1.05 1.02 -1.26 -4.95 120.64 113.10 3a97 n GLU 163 Ca 0.05 -1.64 -0.42 0.00 -0.02 0.00 0.00 57.16 55.13 3a97 n GLU 163 Cb 0.50 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3a97 n GLU 163 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3a97 s THR 164 N -2.07 2.09 0.56 2.62 2.01 -0.01 -4.20 115.64 116.64 3a97 s THR 164 Ca 0.28 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 3a97 s THR 164 Cb 0.20 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 3a97 s THR 164 CO 0.34 0.01 1.04 -0.94 -0.69 0.00 0.00 174.62 174.38 3a97 s SER 165 N 1.05 6.07 0.31 3.53 1.04 -0.75 -4.88 113.70 120.08 3a97 s SER 165 Ca 0.72 1.79 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 3a97 s SER 165 Cb -0.49 -2.53 0.50 0.00 0.10 0.00 0.00 66.02 63.60 3a97 s SER 165 CO 0.35 -0.97 1.97 -0.65 0.98 0.00 0.00 173.24 174.93 3a97 h PRO 166 N 0.77 1.01 -0.72 4.02 0.11 -1.92 -2.06 132.00 133.20 3a97 h PRO 166 Ca -0.47 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.63 3a97 h PRO 166 Cb 1.21 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 3a97 h PRO 166 CO 0.59 0.67 0.42 0.00 -0.21 0.00 0.00 178.00 179.47 3a97 h ALA 167 N 1.52 0.97 -0.58 -0.75 0.00 -1.94 0.23 119.26 118.70 3a97 h ALA 167 Ca 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3a97 h ALA 167 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3a97 h ALA 167 CO -0.07 0.13 0.32 1.15 0.00 0.00 0.00 179.25 180.77 3a97 h THR 168 N 0.78 1.19 -0.20 0.00 2.02 -1.65 0.12 112.91 115.17 3a97 h THR 168 Ca 0.32 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3a97 h THR 168 Cb 0.16 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3a97 h THR 168 CO -0.17 0.21 -0.06 0.58 0.37 0.00 0.00 175.52 176.45 3a97 h VAL 169 N 0.78 1.29 -0.45 3.16 2.07 -1.09 -2.06 116.25 119.96 3a97 h VAL 169 Ca 0.20 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3a97 h VAL 169 Cb 0.05 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3a97 h VAL 169 CO -0.03 0.32 0.28 0.44 0.02 0.00 0.00 177.57 178.60 3a97 h ASP 170 N 0.11 0.53 -0.79 0.57 3.32 -0.37 -0.28 116.42 119.51 3a97 h ASP 170 Ca 0.05 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3a97 h ASP 170 Cb 0.51 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3a97 h ASP 170 CO 0.02 0.41 0.37 0.03 -1.72 0.00 0.00 179.24 178.36 3a97 h ARG 171 N 0.60 1.15 -0.24 3.56 3.08 -0.75 -0.90 114.38 120.89 3a97 h ARG 171 Ca 0.16 -0.17 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3a97 h ARG 171 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3a97 h ARG 171 CO -0.03 0.89 -0.47 1.15 -1.07 0.00 0.00 179.97 180.44 3a97 h THR 172 N 1.13 1.30 -0.29 2.04 2.02 -1.09 -0.21 112.91 117.81 3a97 h THR 172 Ca 0.27 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 3a97 h THR 172 Cb 0.13 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3a97 h THR 172 CO -0.03 0.53 0.12 -0.74 0.37 0.00 0.00 175.52 175.76 3a97 h HIS 173 N 0.50 0.45 -0.72 3.16 -0.00 -0.79 -0.17 115.15 117.58 3a97 h HIS 173 Ca 0.03 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 3a97 h HIS 173 Cb 1.01 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.25 3a97 h HIS 173 CO 0.05 0.44 0.20 0.00 -0.00 0.00 0.00 177.93 178.61 3a97 h ALA 174 N 0.96 0.95 -0.33 5.26 0.00 -1.01 -1.67 119.26 123.41 3a97 h ALA 174 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3a97 h ALA 174 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a97 h ALA 174 CO -0.01 0.66 0.05 1.25 0.00 0.00 0.00 179.25 181.20 3a97 h LEU 175 N 1.08 0.53 -1.03 0.00 5.85 -0.76 -0.23 115.31 120.76 3a97 h LEU 175 Ca 0.23 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3a97 h LEU 175 Cb 0.35 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3a97 h LEU 175 CO -0.00 0.66 0.47 0.24 -0.34 0.00 0.00 178.44 179.47 3a97 h MET 176 N 0.38 1.14 -0.30 1.25 2.86 -0.90 -1.58 114.93 117.79 3a97 h MET 176 Ca 0.10 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3a97 h MET 176 Cb 0.36 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3a97 h MET 176 CO 0.01 0.82 -0.28 -0.09 1.06 0.00 0.00 176.91 178.43 3a97 h ARG 177 N 1.15 0.61 -0.37 1.72 2.43 -1.07 0.19 114.38 119.04 3a97 h ARG 177 Ca 0.29 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3a97 h ARG 177 Cb 0.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3a97 h ARG 177 CO -0.05 0.83 0.05 -0.22 -1.51 0.00 0.00 179.97 179.07 3a97 h LYS 178 N 0.52 0.56 -0.51 0.20 3.64 -0.08 -2.25 116.57 118.66 3a97 h LYS 178 Ca 0.07 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3a97 h LYS 178 Cb 0.76 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3a97 h LYS 178 CO 0.06 0.55 0.00 0.44 -2.27 0.00 0.00 179.45 178.23 3a97 n ILE 179 N -4.30 0.81 -0.53 2.00 -5.35 -0.84 -4.83 119.36 106.31 3a97 n ILE 179 Ca 0.02 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 3a97 n ILE 179 Cb 0.22 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 3a97 n ILE 179 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a97 n GLY 180 N 0.97 0.75 3.95 3.28 0.00 -0.85 -4.85 105.19 108.45 3a97 n GLY 180 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3a97 n GLY 180 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a97 s GLN 181 N -0.47 1.96 -0.66 1.61 -1.52 0.04 -4.90 119.66 115.72 3a97 s GLN 181 Ca 0.00 -0.52 0.03 0.00 -1.95 0.00 0.00 55.36 52.92 3a97 s GLN 181 Cb 0.00 -2.21 0.16 0.00 -0.22 0.00 0.00 33.01 30.74 3a97 s GLN 181 CO 0.00 -1.34 0.44 -1.12 -0.25 0.00 0.00 175.29 173.02 3a97 s SER 182 N -4.59 4.81 0.52 5.90 0.01 0.12 -4.12 113.70 116.35 3a97 s SER 182 Ca 0.63 -3.49 -0.19 0.00 1.31 0.00 0.00 55.95 54.21 3a97 s SER 182 Cb -0.09 -1.68 -0.07 0.00 0.21 0.00 0.00 66.02 64.39 3a97 s SER 182 CO 0.45 -0.16 1.05 -2.16 0.41 0.00 0.00 173.24 172.82 3a97 s PRO 183 N -0.96 3.63 0.05 12.44 0.04 -1.26 -2.01 135.00 146.92 3a97 s PRO 183 Ca 0.22 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.61 3a97 s PRO 183 Cb -0.13 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3a97 s PRO 183 CO -0.10 -0.57 -0.12 0.14 0.04 0.00 0.00 177.00 176.40 3a97 s VAL 184 N -2.15 0.91 -0.54 -0.36 -7.23 -0.68 -4.89 120.40 105.46 3a97 s VAL 184 Ca 0.66 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 59.57 3a97 s VAL 184 Cb -0.16 -0.88 0.08 0.00 0.56 0.00 0.00 36.38 35.98 3a97 s VAL 184 CO 0.26 -0.18 0.62 -0.13 -0.31 0.00 0.00 175.10 175.36 3a97 s ARG 185 N -1.41 3.06 -0.56 4.82 0.52 -1.26 -1.69 118.95 122.43 3a97 s ARG 185 Ca -0.03 -1.17 -0.27 0.00 -0.52 0.00 0.00 55.73 53.74 3a97 s ARG 185 Cb -0.09 -4.18 0.03 0.00 0.52 0.00 0.00 34.95 31.23 3a97 s ARG 185 CO 0.01 -1.33 1.10 0.08 0.02 0.00 0.00 175.30 175.18 3a97 s VAL 186 N 2.46 4.16 0.36 3.52 1.01 -0.40 -4.89 120.40 126.62 3a97 s VAL 186 Ca 0.11 0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.87 3a97 s VAL 186 Cb -0.23 -4.65 0.28 0.00 0.00 0.00 0.00 36.38 31.78 3a97 s VAL 186 CO 0.08 -1.23 1.99 -0.07 0.00 0.00 0.00 175.10 175.88 3a97 h LEU 187 N 11.54 0.68 -7.67 3.92 3.38 -1.95 -3.37 115.31 121.84 3a97 h LEU 187 Ca -0.25 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.46 3a97 h LEU 187 Cb 1.06 -0.16 -0.30 0.00 0.09 0.00 0.00 40.66 41.36 3a97 h LEU 187 CO 1.15 0.47 -0.72 -0.54 0.09 0.00 0.00 178.44 178.88 3a97 s LYS 188 N -5.69 0.01 0.60 1.13 1.02 -1.26 -4.88 119.74 110.67 3a97 s LYS 188 Ca -0.10 0.05 -0.20 0.00 0.02 0.00 0.00 55.97 55.74 3a97 s LYS 188 Cb 0.18 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 3a97 s LYS 188 CO 0.77 -0.05 1.32 -1.83 -0.92 0.00 0.00 175.35 174.63 3a97 s GLU 189 N 0.32 2.85 -0.13 1.68 -1.05 -1.26 -5.00 118.70 116.11 3a97 s GLU 189 Ca -0.03 2.13 -0.27 0.00 -0.15 0.00 0.00 54.97 56.65 3a97 s GLU 189 Cb -0.04 -2.04 0.07 0.00 -0.44 0.00 0.00 34.13 31.68 3a97 s GLU 189 CO -0.01 -1.39 0.66 -1.50 0.95 0.00 0.00 175.26 173.98 3a97 s ILE 190 N -1.36 0.00 -0.08 1.83 2.07 -1.26 -5.07 121.20 117.33 3a97 s ILE 190 Ca 0.77 -0.03 -0.33 0.00 -1.41 0.00 0.00 60.65 59.66 3a97 s ILE 190 Cb -0.38 -0.96 -0.11 0.00 0.13 0.00 0.00 42.46 41.14 3a97 s ILE 190 CO 0.43 -0.01 1.95 -0.67 -1.91 0.00 0.00 174.94 174.72 3a97 n ASP 191 N 1.67 3.56 0.00 4.50 2.03 -1.26 -0.42 116.55 126.63 3a97 n ASP 191 Ca -0.17 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.01 3a97 n ASP 191 Cb 0.56 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 3a97 n ASP 191 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a97 n GLY 192 N 4.66 0.76 7.00 0.27 0.00 -1.26 -4.80 105.19 111.81 3a97 n GLY 192 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3a97 n GLY 192 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a97 n PHE 193 N -2.22 0.00 -0.07 1.61 3.72 0.44 -2.73 117.46 118.21 3a97 n PHE 193 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3a97 n PHE 193 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 3a97 n PHE 193 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3a97 n VAL 194 N 0.00 0.93 -0.02 -4.37 0.31 -1.26 -4.45 118.33 109.47 3a97 n VAL 194 Ca 0.00 -0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 3a97 n VAL 194 Cb 0.00 -1.76 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 3a97 n VAL 194 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3a97 h LEU 195 N -0.54 -0.48 -1.36 7.52 6.46 -2.01 -1.44 115.31 123.46 3a97 h LEU 195 Ca -0.32 0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.47 3a97 h LEU 195 Cb 1.19 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 3a97 h LEU 195 CO -0.19 -0.20 -0.32 0.78 -0.62 0.00 0.00 178.44 177.90 3a97 h ASN 196 N -0.17 0.00 -0.50 1.25 2.35 -1.81 0.14 115.58 116.83 3a97 h ASN 196 Ca 0.11 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3a97 h ASN 196 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3a97 h ASN 196 CO -0.27 0.32 -0.15 0.03 -1.65 0.00 0.00 177.43 175.70 3a97 h ARG 197 N 0.00 0.99 -0.23 0.81 3.08 -1.36 0.13 114.38 117.80 3a97 h ARG 197 Ca -0.00 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 3a97 h ARG 197 Cb 0.59 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3a97 h ARG 197 CO 0.04 1.07 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.83 3a97 h LEU 198 N 0.85 0.49 -0.35 3.04 3.38 -0.73 -1.89 115.31 120.09 3a97 h LEU 198 Ca 0.12 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3a97 h LEU 198 Cb 0.73 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3a97 h LEU 198 CO 0.06 0.79 0.18 -0.61 0.09 0.00 0.00 178.44 178.95 3a97 h GLN 199 N 0.19 0.37 -0.09 1.13 4.15 -0.58 -2.17 115.11 118.12 3a97 h GLN 199 Ca 0.05 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3a97 h GLN 199 Cb 0.61 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3a97 h GLN 199 CO 0.03 0.24 -0.22 1.88 -1.93 0.00 0.00 178.83 178.84 3a97 h TYR 200 N 0.38 0.15 -0.47 3.99 0.05 -0.72 -0.83 116.97 119.52 3a97 h TYR 200 Ca 0.15 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3a97 h TYR 200 Cb 0.04 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3a97 h TYR 200 CO -0.09 0.36 0.27 0.00 -1.05 0.00 0.00 178.16 177.65 3a97 h ALA 201 N 1.65 0.60 -0.01 3.88 0.00 -0.73 -0.17 119.26 124.49 3a97 h ALA 201 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a97 h ALA 201 Cb 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a97 h ALA 201 CO 0.03 0.11 -0.00 0.82 0.00 0.00 0.00 179.25 180.21 3a97 h ILE 202 N 0.62 1.25 -0.90 0.00 2.04 -0.93 -3.09 117.51 116.51 3a97 h ILE 202 Ca 0.17 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.37 3a97 h ILE 202 Cb 0.02 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 3a97 h ILE 202 CO -0.03 0.20 0.55 0.40 0.00 0.00 0.00 178.15 179.26 3a97 h ILE 203 N -0.31 0.97 -0.04 -0.67 2.04 -1.00 -0.40 117.51 118.10 3a97 h ILE 203 Ca 0.00 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3a97 h ILE 203 Cb 0.32 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3a97 h ILE 203 CO 0.00 0.17 -0.04 -1.28 0.00 0.00 0.00 178.15 177.00 3a97 h SER 204 N 0.93 -0.13 -0.40 1.72 0.87 -1.00 0.70 113.55 116.25 3a97 h SER 204 Ca 0.42 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.88 3a97 h SER 204 Cb 0.32 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3a97 h SER 204 CO -0.22 -0.06 -0.25 -0.08 -0.53 0.00 0.00 176.83 175.68 3a97 h GLU 205 N -0.05 0.88 -0.71 2.24 4.57 -1.41 -2.79 114.58 117.31 3a97 h GLU 205 Ca 0.03 -0.41 0.03 0.00 -1.18 0.00 0.00 59.36 57.83 3a97 h GLU 205 Cb 0.10 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3a97 h GLU 205 CO -0.07 1.06 0.44 0.00 -1.18 0.00 0.00 179.01 179.25 3a97 h ALA 206 N 0.80 0.93 -0.50 2.92 0.00 -0.87 -1.26 119.26 121.28 3a97 h ALA 206 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3a97 h ALA 206 Cb 0.83 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3a97 h ALA 206 CO 0.07 0.21 0.32 2.35 0.00 0.00 0.00 179.25 182.20 3a97 h TRP 207 N 0.86 0.60 -0.25 0.00 2.91 -0.75 -1.96 115.95 117.35 3a97 h TRP 207 Ca 0.29 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.22 3a97 h TRP 207 Cb 0.03 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.47 3a97 h TRP 207 CO -0.04 0.36 -0.28 0.00 -1.03 0.00 0.00 178.44 177.44 3a97 h ARG 208 N 0.64 0.49 -0.66 2.65 3.08 -1.19 -0.61 114.38 118.78 3a97 h ARG 208 Ca 0.19 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3a97 h ARG 208 Cb -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3a97 h ARG 208 CO -0.07 0.73 0.18 -0.07 -1.07 0.00 0.00 179.97 179.67 3a97 h LEU 209 N 0.43 0.97 -0.14 3.04 3.38 -0.76 0.81 115.31 123.03 3a97 h LEU 209 Ca 0.06 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3a97 h LEU 209 Cb 0.71 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3a97 h LEU 209 CO 0.05 0.92 -0.35 0.58 0.09 0.00 0.00 178.44 179.74 3a97 h VAL 210 N 0.99 1.37 -0.88 1.22 2.07 -1.16 -0.54 116.25 119.31 3a97 h VAL 210 Ca 0.21 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3a97 h VAL 210 Cb 0.32 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 3a97 h VAL 210 CO -0.00 0.49 0.58 -0.08 0.02 0.00 0.00 177.57 178.58 3a97 h GLU 211 N 0.09 1.14 -0.04 1.57 4.81 -0.85 -2.09 114.58 119.20 3a97 h GLU 211 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3a97 h GLU 211 Cb 0.96 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3a97 h GLU 211 CO 0.08 0.75 0.00 0.39 -0.73 0.00 0.00 179.01 179.50 3a97 n GLU 212 N -4.41 1.28 -1.98 1.92 -0.58 0.25 -4.92 120.64 112.21 3a97 n GLU 212 Ca 0.10 -0.42 -0.09 0.00 -0.42 0.00 0.00 57.16 56.33 3a97 n GLU 212 Cb 0.04 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.51 3a97 n GLU 212 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a97 n GLY 213 N 0.98 0.23 0.13 0.62 0.00 -0.79 -4.93 105.19 101.43 3a97 n GLY 213 Ca 0.17 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 3a97 n GLY 213 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a97 h ILE 214 N 0.00 1.44 -2.28 -0.61 1.08 -1.33 -3.47 117.51 112.34 3a97 h ILE 214 Ca -0.21 -2.81 -0.06 0.00 -0.39 0.00 0.00 64.86 61.40 3a97 h ILE 214 Cb 1.03 2.76 -0.18 0.00 -3.07 0.00 0.00 36.82 37.37 3a97 h ILE 214 CO 0.25 0.83 0.15 0.54 -0.69 0.00 0.00 178.15 179.23 3a97 s VAL 215 N -2.87 0.01 0.70 1.67 0.11 -1.23 -5.06 120.40 113.73 3a97 s VAL 215 Ca -0.05 -0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.83 3a97 s VAL 215 Cb 0.07 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3a97 s VAL 215 CO 0.88 -0.03 1.07 -0.94 -3.33 0.00 0.00 175.10 172.76 3a97 s SER 216 N -1.51 5.13 0.22 3.54 1.04 -1.26 -4.28 113.70 116.58 3a97 s SER 216 Ca -0.09 1.76 -0.09 0.00 0.48 0.00 0.00 55.95 58.01 3a97 s SER 216 Cb -0.00 -2.52 0.25 0.00 0.10 0.00 0.00 66.02 63.85 3a97 s SER 216 CO 0.05 -1.61 1.82 -0.65 0.98 0.00 0.00 173.24 173.83 3a97 h PRO 217 N -0.59 0.74 -0.55 4.02 0.11 -1.94 -0.03 132.00 133.76 3a97 h PRO 217 Ca -0.44 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3a97 h PRO 217 Cb 1.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3a97 h PRO 217 CO 0.55 0.49 0.15 1.03 -0.21 0.00 0.00 178.00 180.01 3a97 h SER 218 N 0.76 0.82 0.05 -2.05 0.87 -1.92 -2.04 113.55 110.05 3a97 h SER 218 Ca 0.31 -0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 3a97 h SER 218 Cb 0.17 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3a97 h SER 218 CO -0.17 0.83 -0.43 0.44 -0.53 0.00 0.00 176.83 176.96 3a97 h ASP 219 N 0.77 0.50 -0.54 6.23 3.32 -1.84 -2.35 116.42 122.52 3a97 h ASP 219 Ca 0.17 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3a97 h ASP 219 Cb 0.32 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3a97 h ASP 219 CO -0.00 0.87 0.27 0.25 -1.72 0.00 0.00 179.24 178.92 3a97 h LEU 220 N 0.39 0.69 -1.29 1.55 6.46 -0.77 -1.67 115.31 120.67 3a97 h LEU 220 Ca 0.03 -0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 3a97 h LEU 220 Cb 0.92 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 3a97 h LEU 220 CO 0.08 0.61 0.48 0.44 -0.62 0.00 0.00 178.44 179.43 3a97 h ASP 221 N 0.72 0.83 -0.13 1.25 3.32 -1.15 -2.02 116.42 119.24 3a97 h ASP 221 Ca 0.19 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3a97 h ASP 221 Cb 0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3a97 h ASP 221 CO -0.03 0.60 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.87 3a97 h LEU 222 N 0.99 0.50 -1.75 1.55 3.38 -0.84 -0.13 115.31 119.00 3a97 h LEU 222 Ca 0.27 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3a97 h LEU 222 Cb -0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3a97 h LEU 222 CO -0.06 0.68 0.34 0.58 0.09 0.00 0.00 178.44 180.06 3a97 h VAL 223 N 0.47 0.89 0.00 1.22 2.07 -0.56 0.53 116.25 120.87 3a97 h VAL 223 Ca 0.08 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3a97 h VAL 223 Cb 0.54 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3a97 h VAL 223 CO 0.03 0.05 -0.31 -0.03 0.02 0.00 0.00 177.57 177.34 3a97 h MET 224 N 0.29 0.00 -0.39 1.57 1.85 -1.31 -1.89 114.93 115.05 3a97 h MET 224 Ca 0.23 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.30 3a97 h MET 224 Cb 0.52 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.53 3a97 h MET 224 CO -0.05 0.04 0.17 0.66 -0.40 0.00 0.00 176.91 177.34 3a97 h SER 225 N -1.00 0.48 -0.39 1.39 4.64 -0.98 0.59 113.55 118.28 3a97 h SER 225 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3a97 h SER 225 Cb 0.33 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3a97 h SER 225 CO -0.01 0.43 0.00 0.47 -0.87 0.00 0.00 176.83 176.85 3a97 n ASP 226 N -4.40 3.85 0.00 4.97 8.00 0.17 -4.50 116.55 124.64 3a97 n ASP 226 Ca 0.03 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.97 3a97 n ASP 226 Cb 0.13 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3a97 n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a97 n GLY 227 N 0.24 2.12 0.37 0.44 0.00 -0.86 -4.95 105.19 102.54 3a97 n GLY 227 Ca 0.19 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3a97 n GLY 227 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a97 h LEU 228 N 0.00 0.87 -1.79 0.99 5.85 -1.30 -2.27 115.31 117.66 3a97 h LEU 228 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3a97 h LEU 228 Cb 0.00 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3a97 h LEU 228 CO 0.00 0.49 -0.08 1.23 -0.34 0.00 0.00 178.44 179.74 3a97 h GLY 229 N 0.95 0.03 1.02 3.75 0.00 -0.06 -2.70 103.07 106.06 3a97 h GLY 229 Ca 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 3a97 h GLY 229 CO -0.21 0.01 0.37 -0.33 0.00 0.00 0.00 176.54 176.39 3a97 h MET 230 N 0.03 1.11 -0.28 4.80 2.86 -1.51 -2.46 114.93 119.48 3a97 h MET 230 Ca 0.01 -0.16 -0.16 0.00 -2.06 0.00 0.00 59.70 57.32 3a97 h MET 230 Cb 0.16 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3a97 h MET 230 CO 0.01 0.86 -0.48 0.07 1.06 0.00 0.00 176.91 178.43 3a97 h ARG 231 N 1.08 0.75 0.00 1.72 0.11 -1.60 -3.04 114.38 113.40 3a97 h ARG 231 Ca 0.26 -0.44 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3a97 h ARG 231 Cb 0.11 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3a97 h ARG 231 CO -0.03 1.06 0.00 0.66 0.10 0.00 0.00 179.97 181.76 3a97 n TYR 232 N -4.01 0.00 0.94 4.08 4.01 -0.98 -0.98 117.16 120.21 3a97 n TYR 232 Ca -0.03 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.85 3a97 n TYR 232 Cb 0.58 -0.49 0.56 0.00 -0.31 0.00 0.00 39.34 39.68 3a97 n TYR 232 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a97 n ALA 233 N -1.49 2.39 0.00 -0.72 0.00 -0.96 -4.20 120.51 115.53 3a97 n ALA 233 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3a97 n ALA 233 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3a97 n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3a97 n PHE 234 N -1.63 0.00 -4.10 0.00 3.72 -0.70 -5.04 117.46 109.72 3a97 n PHE 234 Ca 0.07 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.30 3a97 n PHE 234 Cb 0.36 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.74 3a97 n PHE 234 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3a97 s ILE 235 N -1.70 0.36 1.17 4.37 1.01 -0.15 -5.16 121.20 121.10 3a97 s ILE 235 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 3a97 s ILE 235 Cb 0.00 -0.35 0.27 0.00 0.01 0.00 0.00 42.46 42.39 3a97 s ILE 235 CO 0.00 0.13 1.05 -0.83 0.00 0.00 0.00 174.94 175.29 3a97 s GLY 236 N 0.30 1.53 0.41 6.18 0.00 -1.26 -3.88 107.32 110.60 3a97 s GLY 236 Ca -0.03 -0.53 0.11 0.00 0.00 0.00 0.00 44.72 44.27 3a97 s GLY 236 CO -0.00 0.25 1.96 -0.56 0.00 0.00 0.00 173.10 174.75 3a97 h PRO 237 N -2.54 0.19 0.00 2.90 0.13 -1.97 -1.46 132.00 129.25 3a97 h PRO 237 Ca -0.53 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 3a97 h PRO 237 Cb 1.33 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3a97 h PRO 237 CO 0.46 0.30 -0.11 -0.07 -0.23 0.00 0.00 178.00 178.35 3a97 h LEU 238 N 0.18 0.09 -1.66 1.56 3.38 -2.00 -2.89 115.31 113.97 3a97 h LEU 238 Ca 0.04 -0.82 -0.04 0.00 0.09 0.00 0.00 57.88 57.15 3a97 h LEU 238 Cb 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3a97 h LEU 238 CO 0.02 0.90 -0.19 -0.08 0.09 0.00 0.00 178.44 179.17 3a97 h GLU 239 N -0.71 0.00 -0.62 1.13 4.81 -1.92 -1.77 114.58 115.50 3a97 h GLU 239 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3a97 h GLU 239 Cb 0.92 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 3a97 h GLU 239 CO 0.02 0.19 0.36 1.15 -0.73 0.00 0.00 179.01 180.01 3a97 h THR 240 N 0.00 1.19 -0.30 0.32 2.02 -1.27 -1.04 112.91 113.82 3a97 h THR 240 Ca -0.00 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3a97 h THR 240 Cb 0.37 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3a97 h THR 240 CO 0.03 0.20 0.10 0.24 0.37 0.00 0.00 175.52 176.46 3a97 h MET 241 N 0.85 0.46 -1.00 6.66 2.86 -1.14 -1.10 114.93 122.51 3a97 h MET 241 Ca 0.22 -0.09 0.18 0.00 -2.06 0.00 0.00 59.70 57.95 3a97 h MET 241 Cb 0.00 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 31.49 3a97 h MET 241 CO -0.04 0.50 0.61 1.25 1.06 0.00 0.00 176.91 180.29 3a97 h HIS 242 N 0.33 1.05 0.00 -0.22 6.17 -0.82 -2.18 115.15 119.48 3a97 h HIS 242 Ca 0.10 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.14 3a97 h HIS 242 Cb 0.22 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 3a97 h HIS 242 CO 0.00 0.25 -1.09 -0.07 0.71 0.00 0.00 177.93 177.73 3a97 h LEU 243 N 0.77 0.00 -0.57 0.26 3.38 -1.00 -1.80 115.31 116.36 3a97 h LEU 243 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 3a97 h LEU 243 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3a97 h LEU 243 CO -0.36 0.26 0.00 0.59 0.09 0.00 0.00 178.44 179.02 3a97 n ASN 244 N -2.81 0.77 -1.13 -0.43 3.02 -0.44 -4.80 115.26 109.44 3a97 n ASN 244 Ca -0.04 -2.03 -0.01 0.00 -0.03 0.00 0.00 54.58 52.48 3a97 n ASN 244 Cb 0.67 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3a97 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a97 n ALA 245 N -0.14 -0.08 -1.66 5.41 0.00 -1.20 -4.98 120.51 117.85 3a97 n ALA 245 Ca 0.04 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 3a97 n ALA 245 Cb 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 3a97 n ALA 245 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a97 n GLU 246 N -0.04 3.20 0.00 0.00 -0.58 -1.26 -4.91 120.64 117.05 3a97 n GLU 246 Ca -0.00 -2.72 0.00 0.00 -0.42 0.00 0.00 57.16 54.02 3a97 n GLU 246 Cb 0.04 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 28.59 3a97 n GLU 246 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a97 n GLY 247 N 1.23 2.08 0.28 0.62 0.00 -0.68 -4.43 105.19 104.29 3a97 n GLY 247 Ca 0.54 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.56 3a97 n GLY 247 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3a97 h MET 248 N 0.00 0.75 -0.34 1.61 4.05 -1.83 -1.02 114.93 118.14 3a97 h MET 248 Ca 0.00 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3a97 h MET 248 Cb 0.00 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 3a97 h MET 248 CO 0.00 0.49 0.22 -0.07 0.23 0.00 0.00 176.91 177.78 3a97 h LEU 249 N 0.77 0.37 -0.72 3.39 3.38 -1.96 -1.44 115.31 119.10 3a97 h LEU 249 Ca 0.33 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.30 3a97 h LEU 249 Cb 0.20 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3a97 h LEU 249 CO -0.19 0.27 0.48 -1.28 0.09 0.00 0.00 178.44 177.81 3a97 h SER 250 N 0.45 0.83 -0.48 -0.43 0.87 -1.65 -0.43 113.55 112.70 3a97 h SER 250 Ca 0.13 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3a97 h SER 250 Cb -0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3a97 h SER 250 CO -0.03 0.60 0.23 0.22 -0.53 0.00 0.00 176.83 177.32 3a97 h TYR 251 N 0.98 0.69 -0.50 2.24 5.03 -0.80 -0.81 116.97 123.78 3a97 h TYR 251 Ca 0.27 -0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.43 3a97 h TYR 251 Cb -0.11 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 37.94 3a97 h TYR 251 CO -0.02 0.55 -0.12 0.00 -1.32 0.00 0.00 178.16 177.25 3a97 h ASP 253 N 0.84 0.85 0.35 0.00 3.32 -0.80 -0.31 116.42 120.67 3a97 h ASP 253 Ca 0.13 -0.08 -0.31 0.00 0.02 0.00 0.00 57.03 56.79 3a97 h ASP 253 Cb 0.66 -0.21 0.03 0.00 0.22 0.00 0.00 39.33 40.02 3a97 h ASP 253 CO 0.05 0.69 -1.34 0.03 -1.72 0.00 0.00 179.24 176.94 3a97 h ARG 254 N 0.94 0.47 -0.00 3.56 3.08 -0.96 -3.41 114.38 118.06 3a97 h ARG 254 Ca 0.24 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3a97 h ARG 254 Cb 0.02 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3a97 h ARG 254 CO -0.04 1.35 0.00 0.66 -1.07 0.00 0.00 179.97 180.87 3a97 n TYR 255 N -3.68 0.00 -0.17 3.04 4.01 0.67 -4.72 117.16 116.30 3a97 n TYR 255 Ca -0.13 -0.04 -0.01 0.00 -0.16 0.00 0.00 57.90 57.55 3a97 n TYR 255 Cb 1.04 -0.00 0.22 0.00 -0.31 0.00 0.00 39.34 40.30 3a97 n TYR 255 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3a97 h SER 256 N 0.08 0.81 -0.14 7.72 4.64 -1.17 -0.62 113.55 124.88 3a97 h SER 256 Ca 0.00 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3a97 h SER 256 Cb 0.06 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3a97 h SER 256 CO 0.00 0.68 0.08 -0.08 -0.87 0.00 0.00 176.83 176.64 3a97 h GLU 257 N 0.90 0.19 -0.66 4.77 4.81 -1.85 -1.54 114.58 121.21 3a97 h GLU 257 Ca 0.22 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3a97 h GLU 257 Cb 0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3a97 h GLU 257 CO -0.03 0.18 0.16 0.78 -0.73 0.00 0.00 179.01 179.37 3a97 h GLY 258 N 0.14 1.12 0.94 1.92 0.00 -1.78 -1.70 103.07 103.71 3a97 h GLY 258 Ca 0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3a97 h GLY 258 CO -0.01 0.64 0.12 -0.33 0.00 0.00 0.00 176.54 176.95 3a97 h MET 259 N 0.99 0.31 -0.87 4.80 2.86 -0.89 -0.60 114.93 121.53 3a97 h MET 259 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3a97 h MET 259 Cb 0.35 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3a97 h MET 259 CO 0.00 0.30 0.49 0.87 1.06 0.00 0.00 176.91 179.63 3a97 h LYS 260 N 0.24 1.21 -0.23 1.72 1.57 -1.13 0.01 116.57 119.95 3a97 h LYS 260 Ca 0.08 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3a97 h LYS 260 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3a97 h LYS 260 CO -0.01 0.88 0.08 -0.09 -0.57 0.00 0.00 179.45 179.74 3a97 h ARG 261 N 1.22 0.35 -0.04 3.15 2.43 -1.00 -0.25 114.38 120.23 3a97 h ARG 261 Ca 0.31 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3a97 h ARG 261 Cb 0.01 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3a97 h ARG 261 CO -0.05 0.42 0.01 0.28 -1.51 0.00 0.00 179.97 179.12 3a97 h VAL 262 N 0.22 1.16 -0.62 0.20 2.07 -0.89 -2.94 116.25 115.44 3a97 h VAL 262 Ca 0.08 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3a97 h VAL 262 Cb 0.20 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3a97 h VAL 262 CO -0.00 0.13 0.41 -0.07 0.02 0.00 0.00 177.57 178.05 3a97 h LEU 263 N -0.12 0.63 -1.82 2.57 3.38 -0.92 -0.62 115.31 118.42 3a97 h LEU 263 Ca 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a97 h LEU 263 Cb 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3a97 h LEU 263 CO -0.00 0.43 -0.15 0.50 0.09 0.00 0.00 178.44 179.32 3a97 h LYS 264 N 0.73 0.00 -0.00 1.13 3.64 -0.87 -2.11 116.57 119.09 3a97 h LYS 264 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3a97 h LYS 264 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3a97 h LYS 264 CO -0.07 0.15 -0.08 -1.13 -2.27 0.00 0.00 179.45 176.05 3a97 n SER 265 N -3.87 0.24 -4.75 4.20 3.41 -0.24 -4.90 113.62 107.71 3a97 n SER 265 Ca -0.02 -0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 57.88 3a97 n SER 265 Cb 0.24 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 3a97 n SER 265 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3a97 s PHE 266 N -2.58 2.72 0.00 7.33 0.40 -0.79 -5.01 117.98 120.05 3a97 s PHE 266 Ca 0.27 0.81 0.00 0.00 -0.60 0.00 0.00 56.93 57.41 3a97 s PHE 266 Cb 0.20 -4.07 0.00 0.00 0.51 0.00 0.00 43.02 39.65 3a97 s PHE 266 CO 0.49 -3.56 0.00 0.41 0.70 0.00 0.00 175.22 173.25 3a97 n GLY 267 N 1.97 -1.56 3.92 4.36 0.00 -1.26 -5.07 105.19 107.55 3a97 n GLY 267 Ca 0.07 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 3a97 n GLY 267 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a97 s SER 268 N -1.23 4.24 0.13 1.61 1.04 -1.26 -5.00 113.70 113.23 3a97 s SER 268 Ca 0.00 0.53 -0.31 0.00 0.48 0.00 0.00 55.95 56.64 3a97 s SER 268 Cb 0.00 -0.94 -0.09 0.00 0.10 0.00 0.00 66.02 65.09 3a97 s SER 268 CO 0.00 -2.03 1.50 -0.63 0.98 0.00 0.00 173.24 173.06 3a97 s ILE 269 N -3.55 2.97 0.84 -1.02 1.01 -1.26 -4.97 121.20 115.21 3a97 s ILE 269 Ca 0.65 0.67 -0.12 0.00 0.00 0.00 0.00 60.65 61.85 3a97 s ILE 269 Cb -0.09 -3.43 0.10 0.00 0.01 0.00 0.00 42.46 39.05 3a97 s ILE 269 CO 0.49 0.05 1.16 -2.84 0.00 0.00 0.00 174.94 173.79 3a97 s PRO 270 N 1.30 1.54 0.03 2.79 0.02 -1.26 -4.94 135.00 134.49 3a97 s PRO 270 Ca 0.68 1.57 0.23 0.00 0.02 0.00 0.00 61.00 63.50 3a97 s PRO 270 Cb -0.40 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.43 3a97 s PRO 270 CO 0.31 -2.25 1.08 0.39 -0.33 0.00 0.00 177.00 176.20 3a97 n GLU 271 N -3.66 0.18 -3.78 5.54 1.02 -1.26 -4.98 120.64 113.70 3a97 n GLU 271 Ca 0.12 -0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.00 3a97 n GLU 271 Cb 0.52 -1.56 0.02 0.00 -0.02 0.00 0.00 31.44 30.40 3a97 n GLU 271 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3a97 n PHE 272 N -1.78 -1.82 -2.20 -0.32 3.72 -1.26 -4.92 117.46 108.87 3a97 n PHE 272 Ca 0.03 0.68 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 3a97 n PHE 272 Cb 0.40 -3.83 0.00 0.00 -0.94 0.00 0.00 39.48 35.11 3a97 n PHE 272 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3a97 n SER 273 N -2.91 0.00 0.00 4.37 3.41 -1.26 -4.89 113.62 112.34 3a97 n SER 273 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3a97 n SER 273 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3a97 n SER 273 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a97 n GLY 274 N 0.00 1.35 0.25 5.00 0.00 -1.26 -2.41 105.19 108.12 3a97 n GLY 274 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.56 3a97 n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a97 h ALA 275 N -0.43 0.82 -0.55 4.61 0.00 -2.01 -2.52 119.26 119.19 3a97 h ALA 275 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3a97 h ALA 275 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3a97 h ALA 275 CO 0.00 -0.31 -0.01 1.15 0.00 0.00 0.00 179.25 180.08 3a97 h THR 276 N 0.28 1.26 -0.41 0.00 2.02 -1.98 -0.11 112.91 113.96 3a97 h THR 276 Ca 0.36 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 3a97 h THR 276 Cb 0.57 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3a97 h THR 276 CO -0.45 0.39 -0.09 1.62 0.37 0.00 0.00 175.52 177.37 3a97 h VAL 277 N 0.87 1.25 -0.40 3.16 3.04 -1.14 0.93 116.25 123.96 3a97 h VAL 277 Ca 0.16 -1.10 -0.05 0.00 -1.01 0.00 0.00 66.70 64.70 3a97 h VAL 277 Cb 0.52 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.81 3a97 h VAL 277 CO 0.03 0.38 0.07 -0.33 -1.01 0.00 0.00 177.57 176.70 3a97 h GLU 278 N 0.66 0.66 -0.20 4.17 5.08 -1.05 0.11 114.58 124.01 3a97 h GLU 278 Ca 0.12 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3a97 h GLU 278 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3a97 h GLU 278 CO 0.03 0.70 0.04 -0.22 -1.00 0.00 0.00 179.01 178.57 3a97 h LYS 279 N 0.52 0.33 -0.12 2.33 3.64 -0.65 -1.05 116.57 121.56 3a97 h LYS 279 Ca 0.12 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3a97 h LYS 279 Cb 0.36 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3a97 h LYS 279 CO 0.01 0.47 0.02 0.28 -2.27 0.00 0.00 179.45 177.95 3a97 h VAL 280 N 0.13 1.22 -0.89 2.00 2.07 -0.77 -2.51 116.25 117.50 3a97 h VAL 280 Ca 0.06 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3a97 h VAL 280 Cb 0.29 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 3a97 h VAL 280 CO 0.00 0.20 0.56 -1.13 0.02 0.00 0.00 177.57 177.23 3a97 h ASN 281 N -0.02 0.91 -0.62 0.57 -1.24 -0.76 -0.23 115.58 114.18 3a97 h ASN 281 Ca 0.04 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 3a97 h ASN 281 Cb 0.30 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 3a97 h ASN 281 CO 0.00 0.59 0.34 1.56 -1.29 0.00 0.00 177.43 178.64 3a97 h GLN 282 N 1.05 0.87 -0.56 6.67 4.20 -1.08 0.82 115.11 127.08 3a97 h GLN 282 Ca 0.38 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.87 3a97 h GLN 282 Cb 0.12 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3a97 h GLN 282 CO -0.16 0.66 -0.09 0.00 -0.67 0.00 0.00 178.83 178.57 3a97 h ALA 283 N 1.16 0.79 -0.55 3.87 0.00 -0.95 -2.07 119.26 121.51 3a97 h ALA 283 Ca 0.22 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3a97 h ALA 283 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a97 h ALA 283 CO -0.03 0.67 0.02 0.52 0.00 0.00 0.00 179.25 180.43 3a97 h MET 284 N 0.93 0.97 0.00 0.00 2.86 -0.69 -2.71 114.93 116.28 3a97 h MET 284 Ca 0.15 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 3a97 h MET 284 Cb 0.66 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3a97 h MET 284 CO 0.05 0.96 -0.24 0.00 1.06 0.00 0.00 176.91 178.74 3a97 h LYS 286 N 0.00 0.60 0.17 0.00 3.64 -1.07 -2.35 116.57 117.57 3a97 h LYS 286 Ca -0.00 -0.32 -0.23 0.00 -1.27 0.00 0.00 60.65 58.83 3a97 h LYS 286 Cb 0.69 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3a97 h LYS 286 CO 0.03 0.92 -1.00 0.87 -2.27 0.00 0.00 179.45 177.99 3a97 h LYS 287 N 0.49 0.38 -2.66 1.90 1.57 -1.23 -3.43 116.57 113.60 3a97 h LYS 287 Ca 0.04 -0.64 -0.49 0.00 -1.87 0.00 0.00 60.65 57.69 3a97 h LYS 287 Cb 0.94 0.24 -0.39 0.00 0.08 0.00 0.00 32.23 33.10 3a97 h LYS 287 CO 0.08 1.30 -0.75 0.08 -0.57 0.00 0.00 179.45 179.59 3a97 s VAL 288 N -2.52 -0.14 0.20 0.50 1.01 0.46 -5.12 120.40 114.79 3a97 s VAL 288 Ca -0.12 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 3a97 s VAL 288 Cb 0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 36.38 35.26 3a97 s VAL 288 CO 0.87 -0.68 1.05 -2.65 0.00 0.00 0.00 175.10 173.69 3a97 n PRO 289 N 5.26 1.06 -1.18 2.72 -0.02 -0.89 -4.07 135.00 137.88 3a97 n PRO 289 Ca -0.05 0.37 -0.28 0.00 -2.02 0.00 0.00 63.50 61.52 3a97 n PRO 289 Cb 0.43 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 3a97 n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a97 n ALA 290 N 1.01 7.10 -2.48 3.55 0.00 -1.26 -3.97 120.51 124.46 3a97 n ALA 290 Ca 0.14 -2.84 -0.22 0.00 0.00 0.00 0.00 53.44 50.52 3a97 n ALA 290 Cb 0.26 -2.95 -0.11 0.00 0.00 0.00 0.00 19.45 16.65 3a97 n ALA 290 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3a97 s ASP 291 N 2.10 2.55 0.28 0.00 1.47 -1.26 -5.01 116.67 116.79 3a97 s ASP 291 Ca 0.69 -0.82 -0.03 0.00 1.18 0.00 0.00 52.55 53.57 3a97 s ASP 291 Cb 0.24 -0.14 0.58 0.00 -0.34 0.00 0.00 42.92 43.26 3a97 s ASP 291 CO -0.04 -0.03 1.60 -0.65 0.68 0.00 0.00 175.17 176.73 3a97 h PRO 292 N 3.47 0.05 0.32 2.11 0.11 -1.99 -1.36 132.00 134.71 3a97 h PRO 292 Ca -0.43 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3a97 h PRO 292 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3a97 h PRO 292 CO 0.48 0.03 -0.16 1.49 -0.21 0.00 0.00 178.00 179.64 3a97 h GLU 293 N 0.05 -0.42 -0.18 1.05 4.81 -1.96 -1.67 114.58 116.26 3a97 h GLU 293 Ca 0.50 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.63 3a97 h GLU 293 Cb 0.95 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3a97 h GLU 293 CO -0.83 -0.23 -0.45 0.45 -0.73 0.00 0.00 179.01 177.22 3a97 h HIS 294 N -0.51 0.53 -0.25 0.92 3.86 -1.71 -1.79 115.15 116.19 3a97 h HIS 294 Ca -0.04 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 58.94 3a97 h HIS 294 Cb 0.38 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3a97 h HIS 294 CO -0.03 0.81 -0.10 -0.07 0.86 0.00 0.00 177.93 179.39 3a97 h LEU 295 N 0.36 0.53 -0.68 2.43 3.38 -1.28 -1.76 115.31 118.29 3a97 h LEU 295 Ca 0.02 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3a97 h LEU 295 Cb 0.93 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3a97 h LEU 295 CO 0.08 0.81 0.33 0.00 0.09 0.00 0.00 178.44 179.75 3a97 h ALA 296 N 0.74 0.87 -0.60 1.53 0.00 -1.27 -0.73 119.26 119.81 3a97 h ALA 296 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3a97 h ALA 296 Cb 0.60 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3a97 h ALA 296 CO 0.03 0.43 0.34 0.00 0.00 0.00 0.00 179.25 180.05 3a97 h ALA 297 N 1.16 0.77 -0.34 0.00 0.00 -1.23 -0.37 119.26 119.24 3a97 h ALA 297 Ca 0.23 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3a97 h ALA 297 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a97 h ALA 297 CO -0.03 0.27 -0.29 -0.09 0.00 0.00 0.00 179.25 179.11 3a97 h ARG 298 N 0.81 0.71 -0.50 0.00 9.65 -1.02 -1.97 114.38 122.06 3a97 h ARG 298 Ca 0.21 -0.31 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 3a97 h ARG 298 Cb 0.03 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3a97 h ARG 298 CO -0.04 0.92 -0.05 0.00 2.80 0.00 0.00 179.97 183.60 3a97 h ARG 299 N 0.61 0.88 -0.64 0.20 3.08 -0.81 0.01 114.38 117.70 3a97 h ARG 299 Ca 0.07 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3a97 h ARG 299 Cb 0.80 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 3a97 h ARG 299 CO 0.07 0.91 0.33 1.49 -1.07 0.00 0.00 179.97 181.70 3a97 h GLU 300 N 0.81 0.91 -0.09 0.04 4.81 -0.79 0.11 114.58 120.38 3a97 h GLU 300 Ca 0.14 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3a97 h GLU 300 Cb 0.55 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3a97 h GLU 300 CO 0.03 0.70 0.02 2.35 -0.73 0.00 0.00 179.01 181.39 3a97 h TRP 301 N 0.88 0.14 -0.37 0.92 7.01 -1.02 -1.59 115.95 121.92 3a97 h TRP 301 Ca 0.22 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.27 3a97 h TRP 301 Cb 0.07 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 3a97 h TRP 301 CO -0.00 0.30 0.00 -0.09 -2.79 0.00 0.00 178.44 175.87 3a97 h ARG 302 N -0.06 0.10 -0.58 2.65 2.43 -0.66 -0.88 114.38 117.38 3a97 h ARG 302 Ca 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3a97 h ARG 302 Cb 0.23 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3a97 h ARG 302 CO -0.00 0.07 0.23 -0.44 -1.51 0.00 0.00 179.97 178.32 3a97 h ASP 303 N 0.11 0.78 -0.57 -3.80 5.19 -0.66 -0.84 116.42 116.62 3a97 h ASP 303 Ca 0.18 -0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 3a97 h ASP 303 Cb 0.25 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 3a97 h ASP 303 CO -0.30 0.70 0.03 -0.08 -3.12 0.00 0.00 179.24 176.47 3a97 h GLU 304 N 0.84 1.01 -0.32 3.56 4.57 -0.58 0.63 114.58 124.29 3a97 h GLU 304 Ca 0.20 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3a97 h GLU 304 Cb 0.17 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3a97 h GLU 304 CO -0.02 0.98 0.16 0.00 -1.18 0.00 0.00 179.01 178.95 3a97 h LEU 306 N 0.39 1.02 -0.41 0.00 3.38 -0.87 0.43 115.31 119.25 3a97 h LEU 306 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3a97 h LEU 306 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3a97 h LEU 306 CO -0.02 0.89 0.27 0.50 0.09 0.00 0.00 178.44 180.17 3a97 h LYS 307 N 1.09 0.54 -0.15 1.13 3.64 -0.56 0.13 116.57 122.39 3a97 h LYS 307 Ca 0.26 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 3a97 h LYS 307 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3a97 h LYS 307 CO -0.03 0.36 -0.49 0.00 -2.27 0.00 0.00 179.45 177.02 3a97 h ARG 308 N 0.55 0.40 -0.55 1.90 3.08 -0.96 -2.52 114.38 116.29 3a97 h ARG 308 Ca 0.15 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3a97 h ARG 308 Cb -0.06 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3a97 h ARG 308 CO -0.03 0.80 -0.05 1.25 -1.07 0.00 0.00 179.97 180.87 3a97 h LEU 309 N 0.32 0.99 -0.58 3.04 5.85 -0.53 -0.73 115.31 123.66 3a97 h LEU 309 Ca 0.02 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3a97 h LEU 309 Cb 0.98 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3a97 h LEU 309 CO 0.08 1.08 0.32 0.00 -0.34 0.00 0.00 178.44 179.59 3a97 h ALA 310 N 0.94 0.76 -0.41 1.25 0.00 -0.59 0.16 119.26 121.38 3a97 h ALA 310 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3a97 h ALA 310 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3a97 h ALA 310 CO 0.04 -0.00 0.21 -0.22 0.00 0.00 0.00 179.25 179.28 3a97 h LYS 311 N 0.61 0.58 -0.46 0.00 3.64 -1.14 -1.78 116.57 118.02 3a97 h LYS 311 Ca 0.25 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3a97 h LYS 311 Cb 0.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3a97 h LYS 311 CO -0.15 0.49 0.28 1.25 -2.27 0.00 0.00 179.45 179.04 3a97 h LEU 312 N 0.52 0.47 -0.64 5.20 5.85 -0.27 -1.88 115.31 124.56 3a97 h LEU 312 Ca 0.14 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3a97 h LEU 312 Cb 0.09 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3a97 h LEU 312 CO -0.02 0.34 0.37 0.11 -0.34 0.00 0.00 178.44 178.90 3a97 h LYS 313 N 0.57 0.89 -0.67 1.25 1.57 -0.49 -1.47 116.57 118.22 3a97 h LYS 313 Ca 0.18 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3a97 h LYS 313 Cb -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 3a97 h LYS 313 CO -0.07 0.65 0.34 0.00 -0.57 0.00 0.00 179.45 179.80 3a97 h ARG 314 N 0.88 0.93 -0.13 3.15 3.08 -1.04 -2.34 114.38 118.91 3a97 h ARG 314 Ca 0.23 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3a97 h ARG 314 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3a97 h ARG 314 CO -0.04 0.70 -0.36 1.96 -1.07 0.00 0.00 179.97 181.16 3a97 h GLN 315 N 0.93 0.27 -0.01 0.04 4.20 -0.73 -3.52 115.11 116.29 3a97 h GLN 315 Ca 0.23 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3a97 h GLN 315 Cb 0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3a97 h GLN 315 CO -0.03 0.60 0.00 -1.33 -0.67 0.00 0.00 178.83 177.40