#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3exf s GLN 2 N 0.00 4.17 -0.10 1.47 -0.21 -1.26 -1.69 119.66 122.03 3exf s GLN 2 Ca 0.00 1.04 -0.05 0.00 0.02 0.00 0.00 55.36 56.37 3exf s GLN 2 Cb 0.00 -2.20 0.05 0.00 1.00 0.00 0.00 33.01 31.85 3exf s GLN 2 CO 0.00 -0.04 0.24 0.54 -2.12 0.00 0.00 175.29 173.91 3exf s VAL 3 N -2.21 -0.04 0.69 1.09 0.11 0.11 -4.87 120.40 115.27 3exf s VAL 3 Ca 0.61 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.67 3exf s VAL 3 Cb -0.09 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 3exf s VAL 3 CO 0.16 0.06 1.09 0.42 -3.33 0.00 0.00 175.10 173.49 3exf s THR 4 N 1.22 3.51 0.18 5.04 -4.23 -1.26 -3.14 115.64 116.95 3exf s THR 4 Ca -0.09 0.60 -0.22 0.00 -1.18 0.00 0.00 61.69 60.80 3exf s THR 4 Cb -0.10 -3.15 0.10 0.00 1.34 0.00 0.00 72.50 70.69 3exf s THR 4 CO -0.08 -0.54 1.59 0.58 -0.54 0.00 0.00 174.62 175.63 3exf h VAL 5 N -0.39 0.18 -0.98 2.29 2.07 -1.46 0.37 116.25 118.32 3exf h VAL 5 Ca -0.45 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.17 3exf h VAL 5 Cb 1.23 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3exf h VAL 5 CO 0.54 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.66 3exf h ARG 6 N -0.20 0.99 -0.22 1.57 2.43 -1.11 -0.15 114.38 117.69 3exf h ARG 6 Ca 0.21 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 3exf h ARG 6 Cb 0.55 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3exf h ARG 6 CO -0.64 0.65 -0.56 -0.44 -1.51 0.00 0.00 179.97 177.47 3exf h ASP 7 N 1.02 0.76 -0.38 -3.80 5.19 -1.26 -1.89 116.42 116.05 3exf h ASP 7 Ca 0.47 -0.41 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 3exf h ASP 7 Cb 0.39 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 3exf h ASP 7 CO -0.24 1.16 0.16 0.00 -3.12 0.00 0.00 179.24 177.20 3exf h ALA 8 N 0.85 1.48 0.07 3.45 0.00 -0.04 0.10 119.26 125.17 3exf h ALA 8 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3exf h ALA 8 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3exf h ALA 8 CO 0.11 0.40 -0.03 0.82 0.00 0.00 0.00 179.25 180.55 3exf h ILE 9 N 0.61 1.17 -0.17 0.00 2.04 -0.91 -0.50 117.51 119.75 3exf h ILE 9 Ca 0.15 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.19 3exf h ILE 9 Cb 0.14 1.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 3exf h ILE 9 CO -0.01 0.21 -0.49 -1.13 0.00 0.00 0.00 178.15 176.73 3exf h ASN 10 N -0.48 -1.55 -0.41 1.72 -0.73 -1.09 0.31 115.58 113.36 3exf h ASN 10 Ca -0.01 0.20 0.10 0.00 1.87 0.00 0.00 56.30 58.46 3exf h ASN 10 Cb 0.41 0.62 -0.02 0.00 0.27 0.00 0.00 38.32 39.61 3exf h ASN 10 CO 0.01 -0.45 0.29 -0.61 -0.37 0.00 0.00 177.43 176.30 3exf h GLN 11 N -0.52 0.08 0.00 6.67 4.15 -0.85 -0.29 115.11 124.35 3exf h GLN 11 Ca 0.06 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3exf h GLN 11 Cb 0.65 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.32 3exf h GLN 11 CO -0.44 0.05 0.00 0.41 -1.93 0.00 0.00 178.83 176.92 3exf n GLY 12 N -1.59 -2.68 0.31 2.39 0.00 0.96 -2.37 105.19 102.21 3exf n GLY 12 Ca 0.06 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.27 3exf n GLY 12 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3exf h MET 13 N 0.00 0.12 -0.39 1.61 2.86 -0.93 -2.14 114.93 116.06 3exf h MET 13 Ca 0.00 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3exf h MET 13 Cb 0.00 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.55 3exf h MET 13 CO 0.00 0.08 -0.54 0.22 1.06 0.00 0.00 176.91 177.73 3exf h ASP 14 N 0.12 -1.80 -0.52 1.22 1.82 -1.02 -0.52 116.42 115.73 3exf h ASP 14 Ca 0.52 0.24 0.00 0.00 -0.39 0.00 0.00 57.03 57.39 3exf h ASP 14 Cb 1.02 0.74 -0.03 0.00 0.68 0.00 0.00 39.33 41.74 3exf h ASP 14 CO -0.73 -0.39 0.33 -0.33 -1.61 0.00 0.00 179.24 176.51 3exf h GLU 15 N -0.39 0.70 0.00 0.28 5.08 -1.01 -1.70 114.58 117.54 3exf h GLU 15 Ca 0.07 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3exf h GLU 15 Cb 0.58 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3exf h GLU 15 CO -0.57 0.48 -0.54 0.93 -1.00 0.00 0.00 179.01 178.30 3exf h GLU 16 N 0.71 0.00 -0.06 2.33 4.39 -0.98 -0.00 114.58 120.96 3exf h GLU 16 Ca 0.19 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 3exf h GLU 16 Cb -0.05 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3exf h GLU 16 CO -0.04 0.54 -0.53 -0.07 -1.16 0.00 0.00 179.01 177.75 3exf h LEU 17 N 0.00 0.57 0.22 1.33 3.38 -0.44 -2.75 115.31 117.62 3exf h LEU 17 Ca -0.01 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.29 3exf h LEU 17 Cb 1.21 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3exf h LEU 17 CO 0.07 1.17 -0.46 -0.08 0.09 0.00 0.00 178.44 179.23 3exf h GLU 18 N 0.02 -0.74 -0.12 1.13 4.57 -1.31 -3.01 114.58 115.13 3exf h GLU 18 Ca -0.05 0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3exf h GLU 18 Cb 1.19 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.95 3exf h GLU 18 CO 0.11 -0.49 0.10 -0.09 -1.18 0.00 0.00 179.01 177.46 3exf h ARG 19 N -0.77 0.00 -1.49 1.92 2.43 -0.97 -3.40 114.38 112.10 3exf h ARG 19 Ca -0.01 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3exf h ARG 19 Cb 0.75 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.04 3exf h ARG 19 CO -0.20 0.00 -0.57 0.34 -1.51 0.00 0.00 179.97 178.03 3exf s ASP 20 N -6.47 -0.15 0.32 -3.80 2.15 -1.04 -5.02 116.67 102.66 3exf s ASP 20 Ca -0.05 -1.15 0.00 0.00 0.43 0.00 0.00 52.55 51.78 3exf s ASP 20 Cb 0.17 1.25 0.00 0.00 -0.30 0.00 0.00 42.92 44.03 3exf s ASP 20 CO 0.63 -0.22 0.58 -1.84 -0.17 0.00 0.00 175.17 174.15 3exf n GLU 21 N 4.37 0.01 0.11 4.34 0.28 -1.25 -0.24 120.64 128.27 3exf n GLU 21 Ca 0.11 0.46 -0.02 0.00 -0.16 0.00 0.00 57.16 57.55 3exf n GLU 21 Cb 0.51 -1.64 0.06 0.00 1.43 0.00 0.00 31.44 31.81 3exf n GLU 21 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3exf h LYS 22 N 0.00 0.00 -6.93 3.44 1.57 -1.94 -3.46 116.57 109.25 3exf h LYS 22 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3exf h LYS 22 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 3exf h LYS 22 CO 0.00 0.72 0.41 0.08 -0.57 0.00 0.00 179.45 180.09 3exf s VAL 23 N -3.19 3.76 0.26 0.50 1.01 0.67 -2.12 120.40 121.29 3exf s VAL 23 Ca 0.00 1.41 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 3exf s VAL 23 Cb 0.11 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.76 3exf s VAL 23 CO 0.77 0.07 0.70 0.72 0.00 0.00 0.00 175.10 177.36 3exf s PHE 24 N -1.59 -0.22 0.05 5.22 -0.71 -1.19 -4.91 117.98 114.62 3exf s PHE 24 Ca 0.55 -0.21 0.08 0.00 -1.04 0.00 0.00 56.93 56.32 3exf s PHE 24 Cb -0.23 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 3exf s PHE 24 CO 0.29 -1.18 -0.24 -1.17 -1.34 0.00 0.00 175.22 171.57 3exf s LEU 25 N -2.90 2.17 -0.00 -1.99 2.96 -0.18 0.56 118.68 119.29 3exf s LEU 25 Ca 0.10 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3exf s LEU 25 Cb -0.05 -1.16 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 3exf s LEU 25 CO 0.05 0.22 0.08 -1.48 -1.32 0.00 0.00 176.35 173.90 3exf s LEU 26 N -1.22 1.74 0.00 -0.68 2.34 -0.06 -1.84 118.68 118.97 3exf s LEU 26 Ca 0.10 -0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.13 3exf s LEU 26 Cb -0.09 0.44 0.00 0.00 -0.56 0.00 0.00 46.19 45.97 3exf s LEU 26 CO 0.02 -0.26 0.00 0.61 -1.06 0.00 0.00 176.35 175.66 3exf n GLY 27 N 1.94 -1.04 3.73 -3.48 0.00 -0.53 0.09 105.19 105.90 3exf n GLY 27 Ca -0.20 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 3exf n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3exf s GLU 28 N -0.40 4.39 0.00 1.61 2.02 -1.26 0.51 118.70 125.57 3exf s GLU 28 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.76 3exf s GLU 28 Cb 0.00 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 3exf s GLU 28 CO 0.00 0.17 0.00 0.39 0.02 0.00 0.00 175.26 175.84 3exf n GLU 29 N 3.43 0.00 -0.21 1.61 -0.58 -1.26 -4.56 120.64 119.07 3exf n GLU 29 Ca -0.04 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.67 3exf n GLU 29 Cb 0.51 -1.66 0.16 0.00 -0.57 0.00 0.00 31.44 29.88 3exf n GLU 29 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3exf h VAL 30 N 0.00 1.23 0.00 2.62 3.04 -1.86 0.68 116.25 121.97 3exf h VAL 30 Ca 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3exf h VAL 30 Cb 0.00 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 3exf h VAL 30 CO 0.00 0.29 0.00 0.00 -1.01 0.00 0.00 177.57 176.85 3exf n ALA 31 N -2.44 0.00 -0.27 3.17 0.00 -1.26 -2.91 120.51 116.80 3exf n ALA 31 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 3exf n ALA 31 Cb 0.17 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.67 3exf n ALA 31 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3exf h GLN 32 N 0.00 1.06 -0.34 0.00 4.20 -1.93 -1.38 115.11 116.72 3exf h GLN 32 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3exf h GLN 32 Cb 0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3exf h GLN 32 CO 0.00 0.84 0.00 0.98 -0.67 0.00 0.00 178.83 179.98 3exf n TYR 33 N -4.39 0.37 -1.15 2.96 9.36 -1.21 -4.88 117.16 118.22 3exf n TYR 33 Ca 0.06 -0.17 -0.05 0.00 3.32 0.00 0.00 57.90 61.06 3exf n TYR 33 Cb 0.14 -0.04 -0.02 0.00 -0.63 0.00 0.00 39.34 38.79 3exf n TYR 33 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3exf n ASP 34 N 0.20 -5.07 0.00 2.98 8.00 -0.52 -4.73 116.55 117.41 3exf n ASP 34 Ca 0.08 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3exf n ASP 34 Cb 0.26 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3exf n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3exf n GLY 35 N -0.43 -0.29 0.19 0.44 0.00 0.24 -3.03 105.19 102.31 3exf n GLY 35 Ca -0.05 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.52 3exf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exf h ALA 36 N 0.00 1.42 -0.15 4.61 0.00 -1.80 -0.43 119.26 122.91 3exf h ALA 36 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3exf h ALA 36 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3exf h ALA 36 CO 0.00 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.35 3exf n TYR 37 N -4.13 0.40 -1.47 0.00 4.01 -1.26 -4.95 117.16 109.77 3exf n TYR 37 Ca -0.02 -0.80 -0.16 0.00 -0.16 0.00 0.00 57.90 56.76 3exf n TYR 37 Cb 0.39 -0.17 -0.07 0.00 -0.31 0.00 0.00 39.34 39.17 3exf n TYR 37 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3exf n LYS 38 N -0.66 -1.37 0.26 -0.72 4.76 -0.17 -4.89 118.16 115.38 3exf n LYS 38 Ca 0.15 1.06 0.12 0.00 -2.87 0.00 0.00 58.31 56.77 3exf n LYS 38 Cb 0.63 -5.36 0.72 0.00 -1.84 0.00 0.00 35.03 29.19 3exf n LYS 38 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3exf h VAL 39 N 0.00 0.65 -1.25 -0.18 2.07 -1.80 -3.01 116.25 112.73 3exf h VAL 39 Ca -0.33 -0.45 -0.62 0.00 0.82 0.00 0.00 66.70 66.12 3exf h VAL 39 Cb 1.18 1.28 -0.38 0.00 -1.52 0.00 0.00 31.29 31.85 3exf h VAL 39 CO 0.48 0.11 -0.20 -1.54 0.02 0.00 0.00 177.57 176.44 3exf n SER 40 N -3.78 5.75 -4.77 0.57 3.41 -1.17 -4.03 113.62 109.59 3exf n SER 40 Ca -0.02 -3.76 -0.38 0.00 -0.26 0.00 0.00 58.87 54.45 3exf n SER 40 Cb 0.21 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 3exf n SER 40 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3exf s ARG 41 N -3.70 4.19 0.00 4.33 3.52 -1.14 -2.85 118.95 123.30 3exf s ARG 41 Ca 0.53 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 3exf s ARG 41 Cb 0.43 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 3exf s ARG 41 CO -0.12 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.63 3exf n GLY 42 N 0.55 0.32 0.07 8.12 0.00 -1.26 -4.84 105.19 108.14 3exf n GLY 42 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3exf n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3exf h LEU 43 N 0.00 -0.00 -0.58 0.99 4.07 -1.86 -2.61 115.31 115.32 3exf h LEU 43 Ca 0.00 -0.81 0.09 0.00 0.08 0.00 0.00 57.88 57.24 3exf h LEU 43 Cb 0.18 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.85 3exf h LEU 43 CO 0.00 0.81 0.21 -0.25 -1.08 0.00 0.00 178.44 178.13 3exf h TRP 44 N -0.81 0.36 -0.04 1.13 7.01 -1.78 0.13 115.95 121.95 3exf h TRP 44 Ca -0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3exf h TRP 44 Cb 0.81 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.79 3exf h TRP 44 CO 0.21 0.09 -0.07 -0.22 -2.79 0.00 0.00 178.44 175.67 3exf h LYS 45 N 0.39 0.06 0.07 2.65 3.64 -1.89 1.10 116.57 122.58 3exf h LYS 45 Ca 0.29 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3exf h LYS 45 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3exf h LYS 45 CO -0.30 0.13 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.76 3exf h LYS 46 N 0.06 -0.09 -0.01 1.90 3.64 -0.61 -3.41 116.57 118.05 3exf h LYS 46 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3exf h LYS 46 Cb 0.16 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3exf h LYS 46 CO 0.01 0.15 -0.47 0.66 -2.27 0.00 0.00 179.45 177.52 3exf n TYR 47 N -4.81 0.00 -2.16 1.91 4.01 -0.54 -5.07 117.16 110.50 3exf n TYR 47 Ca -0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.80 3exf n TYR 47 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.14 3exf n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3exf n GLY 48 N 1.23 -1.80 0.35 2.72 0.00 0.38 -4.05 105.19 104.02 3exf n GLY 48 Ca 0.05 -1.23 0.11 0.00 0.00 0.00 0.00 46.02 44.95 3exf n GLY 48 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3exf h ASP 49 N -0.62 0.37 0.06 1.61 3.32 -1.83 0.13 116.42 119.47 3exf h ASP 49 Ca 0.01 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3exf h ASP 49 Cb 0.61 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3exf h ASP 49 CO 0.00 0.23 -0.26 0.50 -1.72 0.00 0.00 179.24 178.00 3exf h LYS 50 N 0.42 0.32 0.00 3.56 3.64 -1.99 -3.36 116.57 119.16 3exf h LYS 50 Ca 0.25 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3exf h LYS 50 Cb 0.45 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3exf h LYS 50 CO -0.07 0.57 -1.78 0.54 -2.27 0.00 0.00 179.45 176.44 3exf n ARG 51 N -4.14 1.05 -3.84 1.90 5.12 0.38 -4.78 116.66 112.35 3exf n ARG 51 Ca -0.01 -0.08 -0.27 0.00 -1.93 0.00 0.00 57.85 55.57 3exf n ARG 51 Cb 0.38 -1.35 -0.17 0.00 -1.16 0.00 0.00 32.46 30.17 3exf n ARG 51 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3exf s ILE 52 N -2.70 0.88 -0.20 0.55 -1.09 -0.73 -1.01 121.20 116.90 3exf s ILE 52 Ca -0.06 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 3exf s ILE 52 Cb 0.07 -1.10 0.00 0.00 -1.58 0.00 0.00 42.46 39.85 3exf s ILE 52 CO 0.58 0.11 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.65 3exf s ILE 53 N 1.74 2.79 0.06 2.92 1.01 -0.76 -4.37 121.20 124.58 3exf s ILE 53 Ca 0.01 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 59.66 3exf s ILE 53 Cb -0.15 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 40.03 3exf s ILE 53 CO -0.07 0.48 1.24 -1.81 0.00 0.00 0.00 174.94 174.78 3exf s ASP 54 N 1.35 7.02 0.20 3.58 1.01 -1.26 -1.45 116.67 127.12 3exf s ASP 54 Ca 0.05 2.05 0.10 0.00 0.71 0.00 0.00 52.55 55.46 3exf s ASP 54 Cb -0.14 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 3exf s ASP 54 CO -0.07 -0.53 -0.20 0.42 0.21 0.00 0.00 175.17 175.00 3exf s THR 55 N 1.26 2.11 0.89 -1.27 -4.23 0.18 -4.90 115.64 109.69 3exf s THR 55 Ca 0.60 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 3exf s THR 55 Cb -0.30 -2.03 0.23 0.00 1.34 0.00 0.00 72.50 71.73 3exf s THR 55 CO 0.29 -0.27 0.68 -0.81 -0.54 0.00 0.00 174.62 173.96 3exf n PRO 56 N 0.10 -3.04 -1.95 3.99 -0.04 -1.26 -4.23 135.00 128.56 3exf n PRO 56 Ca -0.11 -1.10 -0.41 0.00 -0.04 0.00 0.00 63.50 61.84 3exf n PRO 56 Cb 0.57 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 3exf n PRO 56 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3exf n ILE 57 N -4.41 4.77 -3.59 0.52 5.41 -1.26 -4.75 119.36 116.04 3exf n ILE 57 Ca 0.10 -3.99 -0.27 0.00 1.00 0.00 0.00 62.75 59.59 3exf n ILE 57 Cb 0.40 -2.27 -0.10 0.00 -0.71 0.00 0.00 39.64 36.96 3exf n ILE 57 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3exf n SER 58 N 2.81 1.58 0.19 4.38 7.64 -1.26 -4.99 113.62 123.96 3exf n SER 58 Ca 0.59 -2.89 -0.10 0.00 1.01 0.00 0.00 58.87 57.48 3exf n SER 58 Cb 0.28 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 3exf n SER 58 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3exf h GLU 59 N 5.19 -0.54 -0.79 1.43 3.07 -1.92 0.08 114.58 121.10 3exf h GLU 59 Ca 0.19 0.04 0.17 0.00 -0.50 0.00 0.00 59.36 59.26 3exf h GLU 59 Cb 0.81 0.12 -0.15 0.00 -0.84 0.00 0.00 28.75 28.70 3exf h GLU 59 CO 0.58 -0.36 -0.10 1.98 -1.40 0.00 0.00 179.01 179.71 3exf h MET 60 N -0.56 0.04 0.00 2.33 4.05 -1.91 -0.02 114.93 118.84 3exf h MET 60 Ca -0.04 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3exf h MET 60 Cb 0.47 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 3exf h MET 60 CO 0.01 0.02 0.00 0.41 0.23 0.00 0.00 176.91 177.59 3exf n GLY 61 N -1.48 -2.67 0.21 1.39 0.00 -1.03 -2.47 105.19 99.14 3exf n GLY 61 Ca 0.13 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.31 3exf n GLY 61 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3exf h PHE 62 N 0.00 0.00 -0.78 1.61 -5.15 -0.78 0.92 116.94 112.76 3exf h PHE 62 Ca 0.00 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.86 3exf h PHE 62 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 35.95 36.05 3exf h PHE 62 CO 0.02 0.28 -0.51 0.00 -2.00 0.00 0.00 178.31 176.10 3exf h ALA 63 N 1.72 -0.42 -0.24 12.09 0.00 -1.08 0.17 119.26 131.51 3exf h ALA 63 Ca -0.00 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3exf h ALA 63 Cb 0.51 1.16 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3exf h ALA 63 CO 0.04 -0.89 -0.57 0.78 0.00 0.00 0.00 179.25 178.60 3exf h GLY 64 N -0.13 0.88 0.44 0.00 0.00 0.11 -0.61 103.07 103.76 3exf h GLY 64 Ca 0.18 -1.09 0.06 0.00 0.00 0.00 0.00 47.33 46.48 3exf h GLY 64 CO -0.82 0.98 0.01 -2.22 0.00 0.00 0.00 176.54 174.48 3exf h ILE 65 N 0.56 0.74 -0.09 2.60 2.04 -0.78 -1.69 117.51 120.89 3exf h ILE 65 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3exf h ILE 65 Cb 1.19 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3exf h ILE 65 CO 0.12 0.02 0.06 0.00 0.00 0.00 0.00 178.15 178.35 3exf h ALA 66 N 1.31 0.12 -0.98 1.87 0.00 0.32 -0.26 119.26 121.64 3exf h ALA 66 Ca 0.17 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.29 3exf h ALA 66 Cb 0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 3exf h ALA 66 CO -0.29 -0.38 0.64 0.28 0.00 0.00 0.00 179.25 179.51 3exf h VAL 67 N 0.11 0.61 0.13 0.00 2.07 -0.89 -1.42 116.25 116.85 3exf h VAL 67 Ca 0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3exf h VAL 67 Cb 0.01 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3exf h VAL 67 CO -0.01 0.08 -0.06 1.23 0.02 0.00 0.00 177.57 178.83 3exf h GLY 68 N 0.45 -0.18 -0.87 2.17 0.00 -0.11 0.09 103.07 104.61 3exf h GLY 68 Ca 0.54 0.07 0.18 0.00 0.00 0.00 0.00 47.33 48.12 3exf h GLY 68 CO -0.26 -0.07 -0.25 0.00 0.00 0.00 0.00 176.54 175.97 3exf h ALA 69 N 0.12 0.56 -0.80 3.60 0.00 -1.33 -0.59 119.26 120.83 3exf h ALA 69 Ca -0.02 0.35 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3exf h ALA 69 Cb 0.49 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3exf h ALA 69 CO 0.03 -0.42 0.50 0.00 0.00 0.00 0.00 179.25 179.37 3exf h ALA 70 N 1.86 1.06 -0.65 0.00 0.00 -0.94 -1.51 119.26 119.08 3exf h ALA 70 Ca 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3exf h ALA 70 Cb 0.67 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3exf h ALA 70 CO -0.96 0.30 0.25 0.52 0.00 0.00 0.00 179.25 179.36 3exf h MET 71 N 0.97 0.95 -1.34 0.00 2.86 0.34 -2.15 114.93 116.56 3exf h MET 71 Ca 0.33 -0.16 -0.30 0.00 -2.06 0.00 0.00 59.70 57.51 3exf h MET 71 Cb 0.05 -0.16 -0.14 0.00 0.06 0.00 0.00 31.60 31.41 3exf h MET 71 CO -0.13 0.79 0.38 0.00 1.06 0.00 0.00 176.91 179.01 3exf n ALA 72 N -2.45 4.72 -1.47 6.32 0.00 -0.36 -4.86 120.51 122.41 3exf n ALA 72 Ca 0.06 -1.56 -0.07 0.00 0.00 0.00 0.00 53.44 51.87 3exf n ALA 72 Cb 0.18 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 3exf n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3exf n GLY 73 N 0.12 0.65 3.84 0.00 0.00 -0.81 -4.99 105.19 104.00 3exf n GLY 73 Ca 0.30 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3exf n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3exf s LEU 74 N -1.61 3.03 -0.51 0.99 1.02 -0.64 -5.03 118.68 115.93 3exf s LEU 74 Ca 0.00 -1.05 0.07 0.00 0.02 0.00 0.00 54.13 53.17 3exf s LEU 74 Cb 0.00 -1.52 0.26 0.00 0.02 0.00 0.00 46.19 44.94 3exf s LEU 74 CO 0.00 -0.80 0.64 0.54 0.02 0.00 0.00 176.35 176.76 3exf n ARG 75 N -1.53 1.62 -1.75 1.70 1.74 -0.90 -4.15 116.66 113.39 3exf n ARG 75 Ca -0.00 -3.93 -0.36 0.00 -0.77 0.00 0.00 57.85 52.78 3exf n ARG 75 Cb 0.64 -1.73 0.07 0.00 -1.02 0.00 0.00 32.46 30.41 3exf n ARG 75 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3exf s PRO 76 N -1.88 2.57 -0.31 5.56 0.04 -1.26 -3.16 135.00 136.56 3exf s PRO 76 Ca 0.38 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.44 3exf s PRO 76 Cb 0.17 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.94 3exf s PRO 76 CO -0.06 -1.56 -0.01 0.42 0.04 0.00 0.00 177.00 175.82 3exf s ILE 77 N -1.50 2.30 -0.16 0.56 1.01 0.19 -2.63 121.20 120.98 3exf s ILE 77 Ca 0.81 -2.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.25 3exf s ILE 77 Cb -0.35 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3exf s ILE 77 CO 0.39 -0.35 0.54 0.00 0.00 0.00 0.00 174.94 175.52 3exf s GLU 79 N 1.23 2.75 -0.18 0.00 2.12 0.11 -2.47 118.70 122.26 3exf s GLU 79 Ca 0.27 -1.09 -0.19 0.00 0.36 0.00 0.00 54.97 54.32 3exf s GLU 79 Cb -0.16 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3exf s GLU 79 CO 0.11 -0.59 0.56 -0.06 -0.54 0.00 0.00 175.26 174.74 3exf s PHE 80 N 1.42 3.41 0.16 5.30 0.08 -0.52 -4.35 117.98 123.48 3exf s PHE 80 Ca -0.01 0.87 -0.17 0.00 0.12 0.00 0.00 56.93 57.75 3exf s PHE 80 Cb -0.19 -2.70 0.09 0.00 -0.57 0.00 0.00 43.02 39.65 3exf s PHE 80 CO 0.02 -0.07 1.70 1.98 -0.10 0.00 0.00 175.22 178.75 3exf h MET 81 N 7.30 0.08 -4.81 0.44 4.05 -1.92 -3.39 114.93 116.68 3exf h MET 81 Ca -0.35 -0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 58.69 3exf h MET 81 Cb 1.16 -0.02 -0.14 0.00 -0.80 0.00 0.00 31.60 31.80 3exf h MET 81 CO 0.75 0.05 -0.55 0.95 0.23 0.00 0.00 176.91 178.34 3exf s THR 82 N -6.19 0.13 -0.87 -0.77 -4.23 -1.26 -4.20 115.64 98.26 3exf s THR 82 Ca -0.13 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.61 3exf s THR 82 Cb 0.13 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.37 3exf s THR 82 CO 0.71 0.00 1.13 0.49 -0.54 0.00 0.00 174.62 176.41 3exf n PHE 83 N -0.51 0.09 -0.24 3.99 3.01 -0.67 -2.96 117.46 120.17 3exf n PHE 83 Ca 0.03 0.02 0.21 0.00 1.01 0.00 0.00 57.45 58.73 3exf n PHE 83 Cb 0.64 -0.24 0.55 0.00 -0.01 0.00 0.00 39.48 40.43 3exf n PHE 83 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3exf h ASN 84 N 0.00 0.34 1.68 4.37 2.35 -1.85 -2.75 115.58 119.72 3exf h ASN 84 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3exf h ASN 84 Cb 0.58 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3exf h ASN 84 CO 0.00 0.13 -0.16 -0.26 -1.65 0.00 0.00 177.43 175.49 3exf h PHE 85 N 0.33 0.00 0.00 1.19 0.04 -1.87 -3.07 116.94 113.56 3exf h PHE 85 Ca 0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.24 3exf h PHE 85 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3exf h PHE 85 CO -0.00 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.58 3exf n SER 86 N -2.78 0.60 0.33 2.17 3.41 -1.04 -2.77 113.62 113.55 3exf n SER 86 Ca 0.04 0.64 0.22 0.00 -0.26 0.00 0.00 58.87 59.50 3exf n SER 86 Cb 0.50 -0.77 1.16 0.00 -0.26 0.00 0.00 64.21 64.85 3exf n SER 86 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3exf h MET 87 N 0.00 0.00 0.00 4.33 2.86 -1.64 0.07 114.93 120.55 3exf h MET 87 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3exf h MET 87 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3exf h MET 87 CO 0.00 0.00 -0.56 1.96 1.06 0.00 0.00 176.91 179.37 3exf h GLN 88 N 0.00 0.00 -0.00 1.72 4.20 -1.78 -3.30 115.11 115.95 3exf h GLN 88 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3exf h GLN 88 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3exf h GLN 88 CO -0.00 0.25 -0.90 0.00 -0.67 0.00 0.00 178.83 177.51 3exf n ALA 89 N -2.21 4.51 0.25 3.87 0.00 -0.16 -4.23 120.51 122.54 3exf n ALA 89 Ca 0.01 -0.57 0.09 0.00 0.00 0.00 0.00 53.44 52.97 3exf n ALA 89 Cb 0.67 -0.72 0.65 0.00 0.00 0.00 0.00 19.45 20.04 3exf n ALA 89 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3exf h ILE 90 N 0.18 0.89 -0.13 0.00 2.10 -1.17 2.43 117.51 121.81 3exf h ILE 90 Ca 0.00 -0.36 -0.06 0.00 1.08 0.00 0.00 64.86 65.52 3exf h ILE 90 Cb 0.49 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 3exf h ILE 90 CO 0.00 0.10 -0.20 -0.78 -1.08 0.00 0.00 178.15 176.18 3exf h ASP 91 N 0.00 0.21 1.27 2.19 3.58 -1.83 -1.71 116.42 120.13 3exf h ASP 91 Ca -0.00 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.28 3exf h ASP 91 Cb 0.19 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3exf h ASP 91 CO 0.01 0.43 -0.55 1.56 -2.88 0.00 0.00 179.24 177.81 3exf h GLN 92 N 0.20 0.00 -0.03 0.28 1.08 0.38 -2.67 115.11 114.35 3exf h GLN 92 Ca 0.04 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.07 3exf h GLN 92 Cb 0.48 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 3exf h GLN 92 CO 0.03 0.55 -0.64 0.28 -0.95 0.00 0.00 178.83 178.10 3exf h VAL 93 N 0.00 1.39 0.06 -0.54 2.07 -0.88 -2.17 116.25 116.18 3exf h VAL 93 Ca -0.01 -2.04 -0.09 0.00 0.82 0.00 0.00 66.70 65.38 3exf h VAL 93 Cb 1.33 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 33.58 3exf h VAL 93 CO 0.07 0.60 -0.43 0.40 0.02 0.00 0.00 177.57 178.23 3exf h ILE 94 N 0.02 1.61 0.00 4.57 1.08 -1.41 -1.77 117.51 121.61 3exf h ILE 94 Ca -0.07 -2.41 -0.28 0.00 -0.39 0.00 0.00 64.86 61.70 3exf h ILE 94 Cb 1.33 3.23 -0.05 0.00 -3.07 0.00 0.00 36.82 38.26 3exf h ILE 94 CO 0.13 0.64 -1.77 0.59 -0.69 0.00 0.00 178.15 177.05 3exf n ASN 95 N -4.39 0.75 -0.12 1.72 3.02 -1.01 -2.86 115.26 112.37 3exf n ASN 95 Ca -0.13 0.35 -0.24 0.00 -0.03 0.00 0.00 54.58 54.53 3exf n ASN 95 Cb 0.63 0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.84 3exf n ASN 95 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3exf n SER 96 N -2.98 1.78 0.21 6.41 7.64 -1.17 -4.61 113.62 120.91 3exf n SER 96 Ca -0.18 0.22 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 3exf n SER 96 Cb 1.04 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 3exf n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3exf h ALA 97 N -0.72 -0.80 -0.01 -0.43 0.00 -1.44 -3.31 119.26 112.55 3exf h ALA 97 Ca -0.59 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3exf h ALA 97 Cb 1.57 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3exf h ALA 97 CO -0.32 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.17 3exf n ALA 98 N -2.46 2.63 0.00 0.00 0.00 -0.67 -3.63 120.51 116.39 3exf n ALA 98 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3exf n ALA 98 Cb 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3exf n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3exf n LYS 99 N -0.49 0.67 -0.27 0.00 5.02 -1.21 -3.97 118.16 117.91 3exf n LYS 99 Ca 0.21 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3exf n LYS 99 Cb 0.21 -0.97 0.12 0.00 -0.02 0.00 0.00 35.03 34.37 3exf n LYS 99 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3exf h THR 100 N 0.00 1.00 -0.23 -0.18 2.02 -1.65 -0.04 112.91 113.83 3exf h THR 100 Ca 0.00 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 66.92 3exf h THR 100 Cb 0.08 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 3exf h THR 100 CO 0.00 0.15 0.08 0.22 0.37 0.00 0.00 175.52 176.34 3exf h TYR 101 N 0.83 0.13 -0.16 3.16 3.20 -1.79 -2.51 116.97 119.83 3exf h TYR 101 Ca 0.34 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 3exf h TYR 101 Cb 0.20 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3exf h TYR 101 CO -0.05 0.06 -0.04 -0.92 -1.64 0.00 0.00 178.16 175.57 3exf h TYR 102 N 0.18 0.34 -0.20 -3.82 3.20 -1.76 0.34 116.97 115.26 3exf h TYR 102 Ca 0.10 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3exf h TYR 102 Cb 0.07 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3exf h TYR 102 CO -0.12 0.58 0.03 0.52 -1.64 0.00 0.00 178.16 177.53 3exf h MET 103 N 0.00 0.10 0.00 1.82 2.86 -0.89 -0.90 114.93 117.92 3exf h MET 103 Ca 0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3exf h MET 103 Cb 0.47 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3exf h MET 103 CO 0.02 0.07 0.00 -1.13 1.06 0.00 0.00 176.91 176.92 3exf n SER 104 N -5.10 0.00 -3.47 1.22 3.41 -0.96 -4.85 113.62 103.88 3exf n SER 104 Ca -0.03 -1.25 -0.24 0.00 -0.26 0.00 0.00 58.87 57.09 3exf n SER 104 Cb 0.09 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.11 3exf n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3exf n GLY 105 N 0.20 -0.54 1.96 5.00 0.00 -0.34 -3.52 105.19 107.94 3exf n GLY 105 Ca 0.02 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 3exf n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3exf n GLY 106 N -1.86 0.14 0.00 -0.02 0.00 0.12 -4.96 105.19 98.60 3exf n GLY 106 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3exf n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3exf n LEU 107 N -2.17 0.00 -4.09 0.99 4.32 -1.23 -4.91 117.00 109.91 3exf n LEU 107 Ca -0.09 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.51 3exf n LEU 107 Cb 0.56 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.33 3exf n LEU 107 CO 0.23 0.00 0.59 1.67 -1.22 0.00 0.00 177.39 178.65 3exf n GLN 108 N -1.57 3.21 -1.10 3.23 -0.06 -1.26 -5.07 117.38 114.76 3exf n GLN 108 Ca 0.00 -4.51 -0.33 0.00 -2.00 0.00 0.00 57.00 50.17 3exf n GLN 108 Cb 0.33 -2.45 0.12 0.00 -4.06 0.00 0.00 30.24 24.18 3exf n GLN 108 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3exf s PRO 109 N -1.71 1.67 -0.43 3.69 0.04 -1.26 -3.57 135.00 133.42 3exf s PRO 109 Ca 0.30 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.04 3exf s PRO 109 Cb -0.04 -1.79 0.21 0.00 0.04 0.00 0.00 34.50 32.92 3exf s PRO 109 CO -0.06 -2.17 0.45 0.28 0.04 0.00 0.00 177.00 175.54 3exf n VAL 110 N -3.42 -0.61 -0.68 -0.36 0.31 -1.22 -4.64 118.33 107.71 3exf n VAL 110 Ca 0.13 -3.88 -0.25 0.00 -0.01 0.00 0.00 64.34 60.33 3exf n VAL 110 Cb 0.51 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 3exf n VAL 110 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3exf n PRO 111 N 2.02 1.35 -3.02 5.55 -0.04 -1.12 -2.63 135.00 137.12 3exf n PRO 111 Ca 0.25 -1.33 -0.22 0.00 -0.04 0.00 0.00 63.50 62.17 3exf n PRO 111 Cb 0.49 -2.48 0.01 0.00 -0.04 0.00 0.00 33.50 31.48 3exf n PRO 111 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3exf s ILE 112 N 4.43 3.81 -0.03 0.52 2.07 -1.26 -4.05 121.20 126.68 3exf s ILE 112 Ca 0.39 -0.62 -0.00 0.00 -1.41 0.00 0.00 60.65 59.01 3exf s ILE 112 Cb 0.10 -3.39 0.03 0.00 0.13 0.00 0.00 42.46 39.33 3exf s ILE 112 CO 0.04 -0.25 0.02 -0.69 -1.91 0.00 0.00 174.94 172.16 3exf s VAL 113 N -2.51 0.04 -0.14 4.00 1.01 -1.08 -2.80 120.40 118.93 3exf s VAL 113 Ca 0.49 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 3exf s VAL 113 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3exf s VAL 113 CO 0.37 0.13 0.02 -0.36 0.00 0.00 0.00 175.10 175.25 3exf s PHE 114 N 1.22 3.18 0.32 5.22 0.08 -0.92 0.34 117.98 127.42 3exf s PHE 114 Ca -0.07 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.07 3exf s PHE 114 Cb -0.13 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3exf s PHE 114 CO -0.03 0.24 0.29 -0.98 -0.10 0.00 0.00 175.22 174.65 3exf s ARG 115 N -0.13 1.72 0.00 0.44 1.70 -1.03 0.03 118.95 121.67 3exf s ARG 115 Ca 0.05 -1.94 0.00 0.00 -0.47 0.00 0.00 55.73 53.37 3exf s ARG 115 Cb -0.12 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 3exf s ARG 115 CO 0.02 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 174.01 3exf n GLY 116 N -0.57 4.08 3.78 3.88 0.00 -1.23 -1.43 105.19 113.69 3exf n GLY 116 Ca 0.06 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 3exf n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3exf s PRO 117 N -2.73 3.27 -0.00 1.61 0.04 -1.26 -0.69 135.00 135.24 3exf s PRO 117 Ca 0.00 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.45 3exf s PRO 117 Cb 0.00 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3exf s PRO 117 CO 0.00 -0.88 -0.04 1.21 0.04 0.00 0.00 177.00 177.34 3exf s ASN 118 N -2.30 0.42 0.00 6.66 2.47 0.14 -1.68 114.94 120.65 3exf s ASN 118 Ca 0.68 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.89 3exf s ASN 118 Cb -0.20 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.56 3exf s ASN 118 CO 0.32 0.04 0.00 0.61 -3.72 0.00 0.00 177.10 174.36 3exf n GLY 119 N 2.99 -1.63 3.75 1.21 0.00 0.76 -4.51 105.19 107.75 3exf n GLY 119 Ca -0.13 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 3exf n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exf s ALA 120 N -1.59 3.48 0.00 4.61 0.00 -0.98 -4.21 121.76 123.07 3exf s ALA 120 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3exf s ALA 120 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3exf s ALA 120 CO 0.00 -0.46 0.00 0.45 0.00 0.00 0.00 175.76 175.75 3exf n SER 121 N 1.92 0.00 -3.43 0.00 2.88 -1.26 -4.74 113.62 108.99 3exf n SER 121 Ca 0.03 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.38 3exf n SER 121 Cb 0.43 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.79 3exf n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3exf s ALA 122 N -2.43 -0.27 -1.63 -1.46 0.00 -1.26 -4.89 121.76 109.81 3exf s ALA 122 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3exf s ALA 122 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3exf s ALA 122 CO 0.00 -1.69 0.20 0.41 0.00 0.00 0.00 175.76 174.68 3exf n GLY 123 N 5.30 -0.46 0.97 0.00 0.00 -1.26 -4.92 105.19 104.82 3exf n GLY 123 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3exf n GLY 123 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3exf n VAL 124 N -4.18 0.23 -4.99 1.61 0.24 -1.26 -5.00 118.33 104.98 3exf n VAL 124 Ca -0.19 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 3exf n VAL 124 Cb 0.66 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 3exf n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3exf n ALA 125 N 1.22 0.00 0.11 2.33 0.00 -1.26 -4.23 120.51 118.68 3exf n ALA 125 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 3exf n ALA 125 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 3exf n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3exf h ALA 126 N -0.99 -0.18 0.00 0.00 0.00 -1.75 -2.76 119.26 113.57 3exf h ALA 126 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3exf h ALA 126 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3exf h ALA 126 CO 0.00 -0.60 0.00 1.96 0.00 0.00 0.00 179.25 180.61 3exf h GLN 127 N -0.19 0.00 -0.17 0.00 4.20 -1.90 -3.05 115.11 114.01 3exf h GLN 127 Ca -0.02 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 3exf h GLN 127 Cb 0.15 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3exf h GLN 127 CO 0.03 0.00 -0.26 0.72 -0.67 0.00 0.00 178.83 178.65 3exf n HIS 128 N -2.42 0.53 0.10 2.96 8.25 -1.15 -4.70 115.22 118.79 3exf n HIS 128 Ca 0.03 -1.49 0.01 0.00 -0.26 0.00 0.00 57.72 56.01 3exf n HIS 128 Cb 0.34 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3exf n HIS 128 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3exf n SER 129 N -1.12 0.82 -4.79 0.41 7.64 -1.05 -4.62 113.62 110.91 3exf n SER 129 Ca 0.25 -0.91 -0.35 0.00 1.01 0.00 0.00 58.87 58.88 3exf n SER 129 Cb 0.85 0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 64.37 3exf n SER 129 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3exf s GLN 130 N -0.54 3.78 -0.13 1.43 0.74 -1.26 -2.33 119.66 121.35 3exf s GLN 130 Ca 0.02 1.47 -0.08 0.00 0.05 0.00 0.00 55.36 56.82 3exf s GLN 130 Cb 0.02 -2.18 -0.04 0.00 1.10 0.00 0.00 33.01 31.90 3exf s GLN 130 CO 0.05 -0.46 0.14 0.00 -0.55 0.00 0.00 175.29 174.47 3exf n PHE 132 N 2.24 0.00 -0.36 0.00 3.01 -1.26 -4.72 117.46 116.38 3exf n PHE 132 Ca -0.19 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.17 3exf n PHE 132 Cb 0.54 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.93 3exf n PHE 132 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3exf n ALA 133 N -0.54 -0.55 -0.24 4.37 0.00 -1.26 -0.52 120.51 121.77 3exf n ALA 133 Ca 0.02 0.73 -0.01 0.00 0.00 0.00 0.00 53.44 54.17 3exf n ALA 133 Cb 0.10 -0.11 0.05 0.00 0.00 0.00 0.00 19.45 19.49 3exf n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3exf h ALA 134 N 0.41 0.27 -0.10 0.00 0.00 -1.88 -0.06 119.26 117.88 3exf h ALA 134 Ca 0.14 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3exf h ALA 134 Cb 0.35 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3exf h ALA 134 CO -0.81 -0.52 -0.10 -1.49 0.00 0.00 0.00 179.25 176.33 3exf h TRP 135 N -0.06 0.30 -0.06 0.00 4.06 -1.12 -3.11 115.95 115.97 3exf h TRP 135 Ca 0.31 -0.09 -0.15 0.00 2.06 0.00 0.00 58.89 61.02 3exf h TRP 135 Cb 0.55 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3exf h TRP 135 CO -0.62 0.67 -0.64 1.88 -3.56 0.00 0.00 178.44 176.18 3exf h TYR 136 N -0.15 0.28 0.00 0.49 0.05 -0.94 -3.06 116.97 113.65 3exf h TYR 136 Ca 0.02 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 3exf h TYR 136 Cb 0.62 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 3exf h TYR 136 CO 0.09 0.79 -0.01 0.78 -1.05 0.00 0.00 178.16 178.76 3exf h GLY 137 N 1.54 0.00 2.00 3.88 0.00 -1.00 -2.20 103.07 107.30 3exf h GLY 137 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3exf h GLY 137 CO 0.10 0.00 -0.17 0.84 0.00 0.00 0.00 176.54 177.30 3exf h HIS 138 N 0.00 0.00 -3.28 5.60 6.17 -1.46 -3.45 115.15 118.72 3exf h HIS 138 Ca -0.00 0.00 -0.59 0.00 0.71 0.00 0.00 60.37 60.49 3exf h HIS 138 Cb 0.11 0.00 -0.09 0.00 2.52 0.00 0.00 27.41 29.95 3exf h HIS 138 CO 0.00 0.17 -0.27 0.00 0.71 0.00 0.00 177.93 178.55 3exf s PRO 140 N 0.42 4.55 0.00 0.00 0.02 -1.26 -2.84 135.00 135.90 3exf s PRO 140 Ca 0.20 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3exf s PRO 140 Cb -0.14 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3exf s PRO 140 CO 0.06 0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.18 3exf n GLY 141 N 1.73 0.38 3.44 0.52 0.00 -1.25 -4.67 105.19 105.34 3exf n GLY 141 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3exf n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3exf s LEU 142 N 0.00 2.99 -0.11 0.99 2.96 -1.13 -4.42 118.68 119.96 3exf s LEU 142 Ca 0.00 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.58 3exf s LEU 142 Cb 0.00 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3exf s LEU 142 CO 0.00 0.17 0.22 -0.54 -1.32 0.00 0.00 176.35 174.88 3exf s LYS 143 N 0.34 3.80 -0.07 1.98 1.02 -0.90 -4.72 119.74 121.19 3exf s LYS 143 Ca -0.07 0.01 0.01 0.00 0.02 0.00 0.00 55.97 55.93 3exf s LYS 143 Cb -0.15 -3.27 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 3exf s LYS 143 CO 0.04 0.59 -0.07 0.08 -0.92 0.00 0.00 175.35 175.08 3exf s VAL 144 N -0.56 0.79 0.35 3.17 1.01 0.78 -1.29 120.40 124.65 3exf s VAL 144 Ca 0.16 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3exf s VAL 144 Cb -0.13 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 3exf s VAL 144 CO 0.05 0.30 -0.02 0.68 0.00 0.00 0.00 175.10 176.11 3exf s VAL 145 N 1.19 1.84 -0.39 2.92 -7.23 -0.05 0.18 120.40 118.87 3exf s VAL 145 Ca -0.06 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.11 3exf s VAL 145 Cb -0.14 -2.76 0.18 0.00 0.56 0.00 0.00 36.38 34.23 3exf s VAL 145 CO -0.02 -0.12 0.61 -0.55 -0.31 0.00 0.00 175.10 174.72 3exf s SER 146 N -3.59 -1.37 0.66 4.85 0.15 0.56 -1.11 113.70 113.85 3exf s SER 146 Ca 0.33 -0.72 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 3exf s SER 146 Cb 0.06 1.89 -0.00 0.00 -1.71 0.00 0.00 66.02 66.26 3exf s SER 146 CO 0.16 -0.19 1.12 -2.16 1.20 0.00 0.00 173.24 173.36 3exf s PRO 147 N 1.93 2.78 -0.10 5.44 0.04 -1.25 -3.74 135.00 140.09 3exf s PRO 147 Ca 0.15 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 3exf s PRO 147 Cb -0.05 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 3exf s PRO 147 CO -0.09 -1.27 -0.20 1.87 0.04 0.00 0.00 177.00 177.35 3exf n TRP 148 N -2.39 0.03 -4.40 0.56 -0.00 -1.26 -4.24 117.44 105.73 3exf n TRP 148 Ca 0.11 0.01 -0.28 0.00 -0.00 0.00 0.00 57.50 57.34 3exf n TRP 148 Cb 0.52 -0.31 -0.07 0.00 -0.00 0.00 0.00 31.31 31.44 3exf n TRP 148 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3exf s ASN 149 N -5.11 4.23 0.19 5.87 4.22 -1.26 -4.85 114.94 118.23 3exf s ASN 149 Ca -0.17 -1.35 -0.23 0.00 -2.14 0.00 0.00 52.86 48.98 3exf s ASN 149 Cb 0.02 -0.03 0.10 0.00 1.28 0.00 0.00 41.25 42.62 3exf s ASN 149 CO 0.25 -0.70 1.57 0.28 -2.04 0.00 0.00 177.10 176.46 3exf h SER 150 N 1.39 -1.46 -0.68 3.54 0.02 -1.88 0.47 113.55 114.94 3exf h SER 150 Ca -0.43 0.27 0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3exf h SER 150 Cb 1.28 0.70 -0.12 0.00 0.14 0.00 0.00 62.40 64.40 3exf h SER 150 CO 0.72 -0.31 -0.41 -0.08 -1.14 0.00 0.00 176.83 175.61 3exf h GLU 151 N -0.14 -0.15 -0.07 3.45 4.81 -1.93 -1.28 114.58 119.28 3exf h GLU 151 Ca 0.23 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3exf h GLU 151 Cb 0.56 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3exf h GLU 151 CO -0.78 -0.10 -0.05 -0.44 -0.73 0.00 0.00 179.01 176.90 3exf h ASP 152 N -0.16 -0.17 0.27 1.04 3.32 -0.50 -1.53 116.42 118.69 3exf h ASP 152 Ca 0.22 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3exf h ASP 152 Cb 0.56 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3exf h ASP 152 CO -0.75 -0.08 -0.46 0.00 -1.72 0.00 0.00 179.24 176.23 3exf h ALA 153 N 0.99 -1.03 -0.46 3.45 0.00 -0.66 0.34 119.26 121.90 3exf h ALA 153 Ca 0.05 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3exf h ALA 153 Cb 0.13 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3exf h ALA 153 CO -0.11 -1.10 0.09 -0.22 0.00 0.00 0.00 179.25 177.91 3exf h LYS 154 N -0.78 0.22 -0.64 0.00 3.64 -1.21 -1.11 116.57 116.69 3exf h LYS 154 Ca -0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3exf h LYS 154 Cb 0.73 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 3exf h LYS 154 CO -0.16 0.15 0.10 0.78 -2.27 0.00 0.00 179.45 178.04 3exf h GLY 155 N 0.23 1.14 0.90 5.01 0.00 -1.05 -2.99 103.07 106.31 3exf h GLY 155 Ca 0.22 -0.75 -0.18 0.00 0.00 0.00 0.00 47.33 46.62 3exf h GLY 155 CO -0.29 0.70 -0.71 1.41 0.00 0.00 0.00 176.54 177.65 3exf h LEU 156 N 0.99 0.64 -1.51 3.11 3.38 0.10 -2.02 115.31 120.00 3exf h LEU 156 Ca 0.20 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 3exf h LEU 156 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3exf h LEU 156 CO 0.01 1.30 0.06 0.16 0.09 0.00 0.00 178.44 180.06 3exf h ILE 157 N 0.05 1.13 0.26 1.22 3.07 -1.25 0.28 117.51 122.28 3exf h ILE 157 Ca -0.09 -0.47 -0.01 0.00 1.55 0.00 0.00 64.86 65.84 3exf h ILE 157 Cb 1.40 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3exf h ILE 157 CO 0.14 0.17 -0.13 0.11 -1.05 0.00 0.00 178.15 177.39 3exf h LYS 158 N 0.38 -0.34 -0.48 0.16 1.57 -1.56 0.29 116.57 116.60 3exf h LYS 158 Ca 0.09 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.99 3exf h LYS 158 Cb 0.16 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3exf h LYS 158 CO -0.00 -0.01 0.33 0.77 -0.57 0.00 0.00 179.45 179.97 3exf h SER 159 N -0.73 0.21 0.06 0.86 0.02 -1.39 0.51 113.55 113.09 3exf h SER 159 Ca -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3exf h SER 159 Cb 0.49 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3exf h SER 159 CO 0.06 0.13 -0.03 0.00 -1.14 0.00 0.00 176.83 175.85 3exf h ALA 160 N 1.76 -0.09 -0.74 3.77 0.00 0.09 -0.77 119.26 123.28 3exf h ALA 160 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3exf h ALA 160 Cb 0.57 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3exf h ALA 160 CO -0.04 -0.35 0.37 0.82 0.00 0.00 0.00 179.25 180.05 3exf h ILE 161 N -0.48 1.24 0.00 0.00 2.04 0.02 -3.07 117.51 117.26 3exf h ILE 161 Ca -0.01 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3exf h ILE 161 Cb 0.42 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3exf h ILE 161 CO 0.01 0.27 -0.16 -0.09 0.00 0.00 0.00 178.15 178.19 3exf h ARG 162 N 1.04 0.00 -7.15 2.37 9.65 0.28 -3.44 114.38 117.12 3exf h ARG 162 Ca 0.26 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.64 3exf h ARG 162 Cb 0.09 0.00 0.06 0.00 -1.39 0.00 0.00 29.97 28.74 3exf h ARG 162 CO -0.04 0.16 0.39 0.34 2.80 0.00 0.00 179.97 183.62 3exf s ASP 163 N -6.28 5.77 -0.06 -3.80 -1.08 -0.32 -4.98 116.67 105.93 3exf s ASP 163 Ca -0.02 1.93 0.19 0.00 -0.52 0.00 0.00 52.55 54.13 3exf s ASP 163 Cb 0.13 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.68 3exf s ASP 163 CO 0.61 -1.18 1.53 0.59 0.52 0.00 0.00 175.17 177.25 3exf n ASN 164 N -1.75 4.06 -4.36 -0.34 3.02 -1.26 -4.80 115.26 109.82 3exf n ASN 164 Ca 0.10 -2.22 -0.18 0.00 -0.03 0.00 0.00 54.58 52.24 3exf n ASN 164 Cb 0.52 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 3exf n ASN 164 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3exf s ASN 165 N -0.92 2.11 -0.08 6.41 0.01 -1.26 -2.77 114.94 118.43 3exf s ASN 165 Ca 0.46 -1.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.10 3exf s ASN 165 Cb 0.27 -0.04 -0.07 0.00 0.41 0.00 0.00 41.25 41.82 3exf s ASN 165 CO 0.26 -0.48 2.08 -2.84 -1.51 0.00 0.00 177.10 174.62 3exf s PRO 166 N -3.83 3.69 -0.17 -0.60 0.02 -1.08 -4.43 135.00 128.60 3exf s PRO 166 Ca 0.29 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.66 3exf s PRO 166 Cb 0.05 -4.26 0.04 0.00 0.02 0.00 0.00 34.50 30.36 3exf s PRO 166 CO 0.10 -1.47 -0.05 0.08 -0.33 0.00 0.00 177.00 175.32 3exf s VAL 167 N 6.19 1.14 -0.20 3.83 1.01 -1.12 -2.11 120.40 129.15 3exf s VAL 167 Ca 0.94 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 3exf s VAL 167 Cb -0.38 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3exf s VAL 167 CO 0.39 0.11 0.77 -0.69 0.00 0.00 0.00 175.10 175.68 3exf s VAL 168 N 1.61 4.91 -0.41 2.92 1.01 -0.41 -2.16 120.40 127.88 3exf s VAL 168 Ca 0.00 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 63.40 3exf s VAL 168 Cb -0.15 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.25 3exf s VAL 168 CO -0.08 0.03 0.22 -0.69 0.00 0.00 0.00 175.10 174.58 3exf s VAL 169 N 2.26 3.66 -0.50 2.92 1.01 0.10 -0.87 120.40 128.99 3exf s VAL 169 Ca 0.34 -1.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.33 3exf s VAL 169 Cb -0.16 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.89 3exf s VAL 169 CO 0.10 -0.59 0.88 -0.76 0.00 0.00 0.00 175.10 174.74 3exf s LEU 170 N 1.27 4.17 0.00 3.92 1.43 -0.26 -3.53 118.68 125.67 3exf s LEU 170 Ca 0.05 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3exf s LEU 170 Cb -0.23 -2.92 0.09 0.00 0.03 0.00 0.00 46.19 43.16 3exf s LEU 170 CO -0.02 -1.09 0.56 -0.62 0.23 0.00 0.00 176.35 175.42 3exf n GLU 171 N 7.13 -0.07 -3.76 1.70 1.02 0.13 -3.90 120.64 122.89 3exf n GLU 171 Ca 0.02 -1.25 -0.13 0.00 -0.02 0.00 0.00 57.16 55.79 3exf n GLU 171 Cb 0.48 -0.46 -0.13 0.00 -0.02 0.00 0.00 31.44 31.31 3exf n GLU 171 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3exf s ASN 172 N -3.18 -0.21 0.08 1.62 3.84 -1.26 0.27 114.94 116.09 3exf s ASN 172 Ca 0.35 0.43 -0.15 0.00 0.21 0.00 0.00 52.86 53.70 3exf s ASN 172 Cb -0.02 0.36 -0.15 0.00 -0.55 0.00 0.00 41.25 40.89 3exf s ASN 172 CO 0.24 -0.13 1.30 -0.08 -2.79 0.00 0.00 177.10 175.64 3exf h GLU 173 N 6.71 0.68 -0.21 0.43 4.22 -1.85 -2.90 114.58 121.65 3exf h GLU 173 Ca -0.36 -0.50 0.06 0.00 0.08 0.00 0.00 59.36 58.64 3exf h GLU 173 Cb 1.17 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3exf h GLU 173 CO 0.39 1.12 0.24 -0.07 -2.18 0.00 0.00 179.01 178.52 3exf h LEU 174 N 0.36 0.00 0.06 1.64 3.38 -1.94 -2.67 115.31 116.14 3exf h LEU 174 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 3exf h LEU 174 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3exf h LEU 174 CO 0.12 0.00 -1.55 0.24 0.09 0.00 0.00 178.44 177.34 3exf h MET 175 N 0.00 0.13 -0.93 1.13 2.86 -1.90 -3.40 114.93 112.83 3exf h MET 175 Ca 0.10 -0.23 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3exf h MET 175 Cb 0.59 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 32.21 3exf h MET 175 CO -0.00 0.91 -0.49 0.66 1.06 0.00 0.00 176.91 179.05 3exf n TYR 176 N -3.31 -0.28 1.36 -0.22 4.01 -1.01 -0.30 117.16 117.41 3exf n TYR 176 Ca -0.16 1.15 0.00 0.00 -0.16 0.00 0.00 57.90 58.74 3exf n TYR 176 Cb 1.03 -0.65 0.02 0.00 -0.31 0.00 0.00 39.34 39.42 3exf n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3exf n GLY 177 N -1.29 0.48 3.60 2.72 0.00 -1.26 -0.56 105.19 108.87 3exf n GLY 177 Ca 0.04 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3exf n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3exf s VAL 178 N -1.47 5.08 0.38 1.61 1.01 0.59 -4.92 120.40 122.67 3exf s VAL 178 Ca 0.02 0.65 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 3exf s VAL 178 Cb 0.01 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 3exf s VAL 178 CO 0.01 0.03 1.10 -2.16 0.00 0.00 0.00 175.10 174.08 3exf s PRO 179 N 2.27 4.22 0.06 2.72 0.04 -1.26 -2.67 135.00 140.37 3exf s PRO 179 Ca 0.19 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 3exf s PRO 179 Cb -0.16 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 3exf s PRO 179 CO 0.10 -0.14 0.12 -0.06 0.04 0.00 0.00 177.00 177.06 3exf s PHE 180 N -1.46 0.23 0.68 0.56 0.08 -1.19 -4.94 117.98 111.94 3exf s PHE 180 Ca 0.55 -0.62 -0.16 0.00 0.12 0.00 0.00 56.93 56.81 3exf s PHE 180 Cb -0.27 -0.15 0.01 0.00 -0.57 0.00 0.00 43.02 42.04 3exf s PHE 180 CO 0.34 -0.44 1.20 -2.00 -0.10 0.00 0.00 175.22 174.22 3exf s GLU 181 N -3.33 2.49 -0.38 0.44 2.56 -1.26 0.05 118.70 119.27 3exf s GLU 181 Ca 0.01 1.75 0.01 0.00 0.00 0.00 0.00 54.97 56.74 3exf s GLU 181 Cb 0.03 -1.88 0.12 0.00 2.00 0.00 0.00 34.13 34.40 3exf s GLU 181 CO -0.08 -1.56 0.16 0.12 -0.56 0.00 0.00 175.26 173.34 3exf s PHE 182 N -1.89 2.16 0.68 5.30 5.36 -0.68 -4.71 117.98 124.20 3exf s PHE 182 Ca 0.75 -2.25 -0.17 0.00 -0.96 0.00 0.00 56.93 54.30 3exf s PHE 182 Cb -0.29 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.35 3exf s PHE 182 CO 0.41 -0.84 0.63 -0.35 -1.46 0.00 0.00 175.22 173.61 3exf n PRO 183 N 4.16 0.42 -0.12 10.12 -0.04 -1.26 -4.43 135.00 143.85 3exf n PRO 183 Ca 0.03 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 3exf n PRO 183 Cb 0.38 -1.90 0.47 0.00 -0.04 0.00 0.00 33.50 32.42 3exf n PRO 183 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3exf h PRO 184 N -0.17 0.46 0.00 0.54 0.13 -1.99 0.74 132.00 131.71 3exf h PRO 184 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3exf h PRO 184 Cb 1.36 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3exf h PRO 184 CO 0.45 0.31 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 3exf n GLU 185 N -4.48 0.21 0.01 0.86 0.28 -1.26 -2.75 120.64 113.51 3exf n GLU 185 Ca 0.11 0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.29 3exf n GLU 185 Cb 0.37 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.75 3exf n GLU 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3exf n ALA 186 N -1.37 3.90 0.06 -1.84 0.00 0.25 -4.03 120.51 117.48 3exf n ALA 186 Ca 0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 3exf n ALA 186 Cb 0.22 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 3exf n ALA 186 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3exf h GLN 187 N 0.00 0.00 -7.08 0.00 4.20 -1.42 -3.47 115.11 107.34 3exf h GLN 187 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 3exf h GLN 187 Cb 0.61 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.52 3exf h GLN 187 CO 0.00 0.47 0.53 0.45 -0.67 0.00 0.00 178.83 179.61 3exf s SER 188 N -6.14 5.07 0.00 1.46 0.15 -1.22 -4.90 113.70 108.12 3exf s SER 188 Ca -0.01 2.59 0.20 0.00 0.70 0.00 0.00 55.95 59.44 3exf s SER 188 Cb 0.08 -2.62 0.95 0.00 -1.71 0.00 0.00 66.02 62.72 3exf s SER 188 CO 0.79 -1.69 1.65 2.29 1.20 0.00 0.00 173.24 177.48 3exf n LYS 189 N -1.45 0.14 -0.45 5.44 2.85 -1.26 -3.38 118.16 120.05 3exf n LYS 189 Ca 0.13 0.12 0.07 0.00 -1.05 0.00 0.00 58.31 57.58 3exf n LYS 189 Cb 0.47 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.61 3exf n LYS 189 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3exf n ASP 190 N -1.40 3.56 -4.58 -5.58 8.00 -1.26 -4.90 116.55 110.40 3exf n ASP 190 Ca 0.07 -2.32 -0.42 0.00 0.71 0.00 0.00 54.79 52.83 3exf n ASP 190 Cb 0.20 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 3exf n ASP 190 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3exf s PHE 191 N -1.76 3.16 0.17 1.24 5.36 -1.22 -5.02 117.98 119.91 3exf s PHE 191 Ca 0.37 0.41 0.11 0.00 -0.96 0.00 0.00 56.93 56.85 3exf s PHE 191 Cb 0.24 -3.13 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 3exf s PHE 191 CO 0.18 -0.61 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.58 3exf s LEU 192 N 2.72 2.40 -0.13 6.12 1.43 -1.26 -4.59 118.68 125.37 3exf s LEU 192 Ca 0.25 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3exf s LEU 192 Cb -0.14 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 3exf s LEU 192 CO 0.14 0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 176.02 3exf s ILE 193 N -1.56 2.41 0.00 -0.59 1.01 -0.78 -4.93 121.20 116.76 3exf s ILE 193 Ca 0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 3exf s ILE 193 Cb -0.08 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3exf s ILE 193 CO 0.08 0.54 1.18 -2.84 0.00 0.00 0.00 174.94 173.90 3exf s PRO 194 N 0.58 4.41 0.30 2.79 0.02 -1.26 -4.59 135.00 137.25 3exf s PRO 194 Ca -0.11 1.70 -0.29 0.00 0.02 0.00 0.00 61.00 62.32 3exf s PRO 194 Cb -0.16 -3.45 -0.10 0.00 0.02 0.00 0.00 34.50 30.81 3exf s PRO 194 CO 0.03 -0.32 1.29 0.42 -0.33 0.00 0.00 177.00 178.10 3exf s ILE 195 N 1.57 2.87 0.00 2.83 1.01 -1.26 -2.47 121.20 125.75 3exf s ILE 195 Ca 0.57 0.84 0.00 0.00 0.00 0.00 0.00 60.65 62.06 3exf s ILE 195 Cb -0.27 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3exf s ILE 195 CO 0.26 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3exf n GLY 196 N 1.20 0.31 3.66 6.18 0.00 -1.26 -5.00 105.19 110.27 3exf n GLY 196 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3exf n GLY 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3exf s LYS 197 N -0.90 3.15 0.53 1.61 2.36 -1.03 -4.01 119.74 121.44 3exf s LYS 197 Ca 0.00 -0.41 0.09 0.00 -2.55 0.00 0.00 55.97 53.09 3exf s LYS 197 Cb 0.00 -2.84 0.06 0.00 -1.05 0.00 0.00 37.83 34.00 3exf s LYS 197 CO 0.00 0.62 0.67 0.00 1.55 0.00 0.00 175.35 178.19 3exf s ALA 198 N -0.64 4.60 -0.09 3.13 0.00 -1.25 -4.44 121.76 123.07 3exf s ALA 198 Ca 0.10 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.10 3exf s ALA 198 Cb -0.12 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.67 3exf s ALA 198 CO 0.02 -0.65 0.18 0.21 0.00 0.00 0.00 175.76 175.53 3exf s LYS 199 N -4.52 0.09 -0.09 0.00 2.20 0.11 -4.98 119.74 112.55 3exf s LYS 199 Ca 0.56 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 3exf s LYS 199 Cb -0.06 -0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 3exf s LYS 199 CO 0.35 -0.24 1.25 0.42 -0.36 0.00 0.00 175.35 176.76 3exf s ILE 200 N 1.85 4.21 -0.19 5.43 1.01 -1.26 0.13 121.20 132.39 3exf s ILE 200 Ca -0.02 1.52 -0.14 0.00 0.00 0.00 0.00 60.65 62.01 3exf s ILE 200 Cb -0.12 -3.98 -0.21 0.00 0.01 0.00 0.00 42.46 38.17 3exf s ILE 200 CO -0.07 -0.05 0.18 -0.62 0.00 0.00 0.00 174.94 174.38 3exf n GLU 201 N 5.77 0.65 -4.37 2.79 -0.58 0.19 -4.91 120.64 120.17 3exf n GLU 201 Ca 0.12 0.40 -0.26 0.00 -0.42 0.00 0.00 57.16 57.00 3exf n GLU 201 Cb 0.45 -1.69 -0.12 0.00 -0.57 0.00 0.00 31.44 29.51 3exf n GLU 201 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3exf s ARG 202 N -2.46 1.36 0.28 3.49 3.52 -1.01 -4.99 118.95 119.14 3exf s ARG 202 Ca -0.28 -1.39 -0.05 0.00 -0.13 0.00 0.00 55.73 53.88 3exf s ARG 202 Cb 0.07 -1.67 -0.05 0.00 -1.56 0.00 0.00 34.95 31.74 3exf s ARG 202 CO 0.65 0.37 0.54 -0.65 -0.81 0.00 0.00 175.30 175.40 3exf s GLN 203 N -2.40 3.64 0.24 5.12 -1.52 -1.26 -2.99 119.66 120.49 3exf s GLN 203 Ca 0.15 0.01 -0.22 0.00 -1.95 0.00 0.00 55.36 53.36 3exf s GLN 203 Cb -0.08 -2.66 0.04 0.00 -0.22 0.00 0.00 33.01 30.08 3exf s GLN 203 CO 0.07 0.23 0.68 0.20 -0.25 0.00 0.00 175.29 176.22 3exf s GLY 204 N -3.09 -0.26 0.00 3.09 0.00 -1.22 -4.34 107.32 101.51 3exf s GLY 204 Ca 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.10 3exf s GLY 204 CO 0.29 -0.02 0.01 -1.30 0.00 0.00 0.00 173.10 172.08 3exf n THR 205 N -0.43 0.00 -0.06 0.90 -2.24 -0.59 -4.64 114.28 107.21 3exf n THR 205 Ca -0.08 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.27 3exf n THR 205 Cb 0.61 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.71 3exf n THR 205 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3exf n HIS 206 N -0.53 0.57 -3.67 4.78 8.25 -0.54 -4.53 115.22 119.56 3exf n HIS 206 Ca 0.00 0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 3exf n HIS 206 Cb 0.00 -1.08 -0.08 0.00 1.12 0.00 0.00 29.99 29.95 3exf n HIS 206 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3exf s ILE 207 N -2.54 -0.00 -0.20 1.59 2.07 -1.22 -4.32 121.20 116.57 3exf s ILE 207 Ca -0.22 0.01 -0.28 0.00 -1.41 0.00 0.00 60.65 58.76 3exf s ILE 207 Cb 0.08 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.83 3exf s ILE 207 CO 0.73 0.00 0.96 -0.89 -1.91 0.00 0.00 174.94 173.84 3exf s THR 208 N 0.60 4.76 -0.15 4.00 2.01 -0.14 0.21 115.64 126.94 3exf s THR 208 Ca -0.02 1.88 0.02 0.00 0.31 0.00 0.00 61.69 63.88 3exf s THR 208 Cb -0.05 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3exf s THR 208 CO -0.03 -0.10 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.90 3exf s VAL 209 N 2.79 2.20 -0.08 3.82 1.01 -0.81 -1.84 120.40 127.49 3exf s VAL 209 Ca 0.42 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3exf s VAL 209 Cb -0.16 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.34 3exf s VAL 209 CO 0.09 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.90 3exf s VAL 210 N 0.86 1.34 0.28 2.92 1.01 -0.29 -1.48 120.40 125.04 3exf s VAL 210 Ca -0.06 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3exf s VAL 210 Cb -0.15 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3exf s VAL 210 CO -0.03 0.40 0.66 -0.55 0.00 0.00 0.00 175.10 175.59 3exf s SER 211 N 0.74 -0.18 0.03 3.32 0.15 -1.12 -0.30 113.70 116.34 3exf s SER 211 Ca -0.12 -0.74 0.01 0.00 0.70 0.00 0.00 55.95 55.79 3exf s SER 211 Cb -0.16 0.70 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 3exf s SER 211 CO 0.03 -1.32 -0.05 -1.38 1.20 0.00 0.00 173.24 171.73 3exf s HIS 212 N -3.83 0.42 0.00 3.44 -3.43 -1.25 -1.54 115.29 109.10 3exf s HIS 212 Ca 0.15 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 3exf s HIS 212 Cb -0.04 -0.28 0.00 0.00 -1.43 0.00 0.00 32.58 30.83 3exf s HIS 212 CO 0.08 -0.17 0.00 0.45 -2.00 0.00 0.00 174.74 173.10 3exf n SER 213 N 1.42 0.00 0.01 7.38 2.88 -1.25 -4.32 113.62 119.74 3exf n SER 213 Ca -0.23 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.21 3exf n SER 213 Cb 0.55 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 3exf n SER 213 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3exf h ARG 214 N 0.00 -0.35 0.00 -1.46 2.43 -1.89 -1.48 114.38 111.63 3exf h ARG 214 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3exf h ARG 214 Cb 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3exf h ARG 214 CO 0.00 -0.23 0.40 -1.00 -1.51 0.00 0.00 179.97 177.63 3exf h PRO 215 N -0.36 0.00 -0.78 0.20 0.13 -1.94 0.12 132.00 129.36 3exf h PRO 215 Ca 0.10 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 3exf h PRO 215 Cb 0.51 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.56 3exf h PRO 215 CO -0.33 0.00 0.42 0.28 -0.23 0.00 0.00 178.00 178.14 3exf h VAL 216 N 0.00 0.86 -0.15 1.56 2.07 -1.48 -1.91 116.25 117.19 3exf h VAL 216 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3exf h VAL 216 Cb 0.80 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3exf h VAL 216 CO 0.00 0.13 0.05 1.23 0.02 0.00 0.00 177.57 179.00 3exf h GLY 217 N 0.69 0.18 2.00 2.17 0.00 -1.17 -1.19 103.07 105.76 3exf h GLY 217 Ca 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 3exf h GLY 217 CO -0.27 0.02 -0.05 0.45 0.00 0.00 0.00 176.54 176.68 3exf h HIS 218 N 0.12 0.00 0.11 5.60 3.86 -1.51 -0.63 115.15 122.72 3exf h HIS 218 Ca 0.07 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.06 3exf h HIS 218 Cb 0.04 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.53 3exf h HIS 218 CO -0.11 0.05 -0.92 0.00 0.86 0.00 0.00 177.93 177.81 3exf h LEU 220 N -0.11 0.65 0.01 0.00 3.38 -0.36 0.41 115.31 119.29 3exf h LEU 220 Ca -0.15 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3exf h LEU 220 Cb 1.68 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.35 3exf h LEU 220 CO 0.18 0.37 -0.00 -0.33 0.09 0.00 0.00 178.44 178.74 3exf h GLU 221 N 0.77 -0.01 -0.11 1.13 5.08 -1.11 -1.78 114.58 118.55 3exf h GLU 221 Ca 0.39 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 3exf h GLU 221 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3exf h GLU 221 CO -0.25 0.17 -0.08 0.00 -1.00 0.00 0.00 179.01 177.86 3exf h ALA 222 N 0.79 1.66 -0.44 3.43 0.00 -0.22 -1.89 119.26 122.60 3exf h ALA 222 Ca -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3exf h ALA 222 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3exf h ALA 222 CO 0.00 0.25 -0.12 0.00 0.00 0.00 0.00 179.25 179.38 3exf h ALA 223 N 1.76 0.97 -0.24 0.00 0.00 0.14 -0.23 119.26 121.66 3exf h ALA 223 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3exf h ALA 223 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3exf h ALA 223 CO 0.01 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.95 3exf h ALA 224 N 1.15 0.32 -0.72 0.00 0.00 -0.54 -0.82 119.26 118.65 3exf h ALA 224 Ca 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3exf h ALA 224 Cb 0.61 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3exf h ALA 224 CO 0.04 -0.06 0.47 0.28 0.00 0.00 0.00 179.25 179.98 3exf h VAL 225 N 0.23 1.19 0.09 0.00 2.07 -1.31 -3.17 116.25 115.35 3exf h VAL 225 Ca 0.08 -0.35 -0.26 0.00 0.82 0.00 0.00 66.70 66.98 3exf h VAL 225 Cb 0.23 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3exf h VAL 225 CO -0.00 0.18 -1.25 -0.07 0.02 0.00 0.00 177.57 176.45 3exf h LEU 226 N 0.98 0.30 -2.27 2.57 3.38 -0.53 -3.16 115.31 116.57 3exf h LEU 226 Ca 0.26 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3exf h LEU 226 Cb -0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3exf h LEU 226 CO -0.06 1.27 -0.05 -1.28 0.09 0.00 0.00 178.44 178.42 3exf h SER 227 N 0.05 0.00 0.00 -0.43 0.87 -0.96 0.44 113.55 113.52 3exf h SER 227 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3exf h SER 227 Cb 1.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.89 3exf h SER 227 CO 0.17 0.05 0.00 0.29 -0.53 0.00 0.00 176.83 176.81 3exf n LYS 228 N -3.76 0.97 -0.25 2.24 5.02 -1.19 -0.99 118.16 120.20 3exf n LYS 228 Ca -0.03 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.35 3exf n LYS 228 Cb 0.14 -1.25 0.16 0.00 -0.02 0.00 0.00 35.03 34.06 3exf n LYS 228 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3exf n GLU 229 N -0.75 1.41 -3.47 1.97 2.13 0.15 -5.00 120.64 117.09 3exf n GLU 229 Ca 0.12 -2.82 -0.21 0.00 0.66 0.00 0.00 57.16 54.90 3exf n GLU 229 Cb 0.05 -1.55 0.07 0.00 0.27 0.00 0.00 31.44 30.29 3exf n GLU 229 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3exf n GLY 230 N -1.32 -0.38 3.19 8.31 0.00 -0.16 -5.01 105.19 109.82 3exf n GLY 230 Ca 0.17 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 3exf n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3exf s VAL 231 N -3.29 2.79 -0.42 1.61 1.01 -1.07 -5.00 120.40 116.03 3exf s VAL 231 Ca 0.50 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 3exf s VAL 231 Cb -0.22 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3exf s VAL 231 CO 0.65 0.25 0.44 -1.61 0.00 0.00 0.00 175.10 174.83 3exf s GLU 232 N 1.32 3.11 0.10 2.72 0.41 -1.26 -2.73 118.70 122.37 3exf s GLU 232 Ca 0.01 -0.75 -0.18 0.00 -0.41 0.00 0.00 54.97 53.64 3exf s GLU 232 Cb -0.16 -3.96 -0.07 0.00 -1.78 0.00 0.00 34.13 28.16 3exf s GLU 232 CO -0.05 -0.84 0.57 0.00 -0.49 0.00 0.00 175.26 174.44 3exf s GLU 234 N -1.38 3.65 -0.18 0.00 2.12 0.56 -3.38 118.70 120.09 3exf s GLU 234 Ca 0.32 -2.50 -0.29 0.00 0.36 0.00 0.00 54.97 52.86 3exf s GLU 234 Cb -0.18 -4.45 -0.02 0.00 0.26 0.00 0.00 34.13 29.74 3exf s GLU 234 CO 0.19 -1.30 1.31 0.08 -0.54 0.00 0.00 175.26 175.00 3exf s VAL 235 N 0.14 4.19 -0.08 3.70 1.01 -1.16 -1.92 120.40 126.28 3exf s VAL 235 Ca 0.19 1.43 -0.00 0.00 0.00 0.00 0.00 61.98 63.59 3exf s VAL 235 Cb -0.10 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3exf s VAL 235 CO -0.09 -0.18 -0.04 -0.63 0.00 0.00 0.00 175.10 174.15 3exf s ILE 236 N 3.72 3.91 -0.21 2.22 1.01 -0.55 0.53 121.20 131.84 3exf s ILE 236 Ca 0.57 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 3exf s ILE 236 Cb -0.22 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3exf s ILE 236 CO 0.17 0.59 -0.01 0.21 0.00 0.00 0.00 174.94 175.90 3exf s ASN 237 N -0.73 4.64 0.12 3.58 3.04 0.34 -2.78 114.94 123.15 3exf s ASN 237 Ca 0.11 -0.28 -0.15 0.00 0.04 0.00 0.00 52.86 52.58 3exf s ASN 237 Cb -0.11 -1.80 -0.02 0.00 -1.54 0.00 0.00 41.25 37.78 3exf s ASN 237 CO 0.02 0.02 1.60 0.24 -3.04 0.00 0.00 177.10 175.95 3exf h MET 238 N 7.79 0.64 0.00 0.43 2.86 -1.55 0.31 114.93 125.41 3exf h MET 238 Ca -0.38 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 3exf h MET 238 Cb 1.17 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3exf h MET 238 CO 0.60 0.70 0.00 0.54 1.06 0.00 0.00 176.91 179.81 3exf n ARG 239 N -4.53 0.00 -3.69 1.72 1.74 -1.26 -3.97 116.66 106.67 3exf n ARG 239 Ca -0.01 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.70 3exf n ARG 239 Cb 0.23 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.61 3exf n ARG 239 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3exf s THR 240 N 0.00 5.33 -0.15 0.55 2.01 -1.26 -0.32 115.64 121.79 3exf s THR 240 Ca 0.00 0.45 0.19 0.00 0.31 0.00 0.00 61.69 62.63 3exf s THR 240 Cb 0.00 -3.54 -0.27 0.00 0.01 0.00 0.00 72.50 68.70 3exf s THR 240 CO 0.00 0.54 0.17 -0.38 -0.69 0.00 0.00 174.62 174.26 3exf n ILE 241 N 2.46 1.02 -3.68 1.82 2.08 0.13 -4.33 119.36 118.85 3exf n ILE 241 Ca -0.16 -0.76 -0.14 0.00 0.56 0.00 0.00 62.75 62.25 3exf n ILE 241 Cb 0.53 -0.35 -0.14 0.00 -0.75 0.00 0.00 39.64 38.94 3exf n ILE 241 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3exf s ARG 242 N -2.74 0.12 -0.94 0.38 3.52 -0.65 -3.67 118.95 114.97 3exf s ARG 242 Ca -0.09 0.66 -0.24 0.00 -0.13 0.00 0.00 55.73 55.92 3exf s ARG 242 Cb 0.08 -0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 3exf s ARG 242 CO 0.84 -0.27 1.60 -1.25 -0.81 0.00 0.00 175.30 175.41 3exf s PRO 243 N 2.17 3.20 0.42 5.12 0.04 -1.26 -0.16 135.00 144.53 3exf s PRO 243 Ca -0.00 -0.73 -0.26 0.00 0.04 0.00 0.00 61.00 60.05 3exf s PRO 243 Cb -0.12 -5.13 -0.10 0.00 0.04 0.00 0.00 34.50 29.19 3exf s PRO 243 CO -0.08 -2.58 1.31 0.00 0.04 0.00 0.00 177.00 175.70 3exf n MET 244 N 8.93 2.04 -2.56 4.56 0.00 -1.24 -4.62 117.12 124.23 3exf n MET 244 Ca 0.32 0.73 -0.41 0.00 0.00 0.00 0.00 57.70 58.34 3exf n MET 244 Cb 0.50 -2.44 -0.03 0.00 0.00 0.00 0.00 33.22 31.25 3exf n MET 244 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3exf s ASP 245 N -0.48 6.30 -0.11 3.17 2.15 -1.26 -4.85 116.67 121.59 3exf s ASP 245 Ca 0.60 -0.86 -0.27 0.00 0.43 0.00 0.00 52.55 52.45 3exf s ASP 245 Cb -0.50 -2.56 -0.23 0.00 -0.30 0.00 0.00 42.92 39.32 3exf s ASP 245 CO 0.59 -1.70 0.82 -0.03 -0.17 0.00 0.00 175.17 174.67 3exf h MET 246 N 9.93 -0.01 -0.95 4.34 1.85 -1.90 -3.26 114.93 124.93 3exf h MET 246 Ca -0.08 0.00 0.28 0.00 -0.61 0.00 0.00 59.70 59.28 3exf h MET 246 Cb 1.03 0.00 -0.17 0.00 0.43 0.00 0.00 31.60 32.90 3exf h MET 246 CO 1.34 0.83 0.15 0.93 -0.40 0.00 0.00 176.91 179.76 3exf h GLU 247 N -0.91 0.06 -0.08 0.39 5.08 -1.98 0.12 114.58 117.26 3exf h GLU 247 Ca -0.00 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3exf h GLU 247 Cb 0.84 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3exf h GLU 247 CO 0.00 0.04 -0.50 1.15 -1.00 0.00 0.00 179.01 178.71 3exf h THR 248 N 0.06 1.35 0.78 1.13 2.02 -1.98 0.37 112.91 116.64 3exf h THR 248 Ca 0.62 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 3exf h THR 248 Cb 1.32 1.84 0.01 0.00 -1.74 0.00 0.00 68.15 69.58 3exf h THR 248 CO -0.82 0.51 -0.37 0.40 0.37 0.00 0.00 175.52 175.60 3exf h ILE 249 N 0.17 0.00 -0.07 3.11 2.04 -1.12 -3.26 117.51 118.38 3exf h ILE 249 Ca 0.01 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3exf h ILE 249 Cb 0.94 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3exf h ILE 249 CO 0.08 0.00 -0.53 -0.33 0.00 0.00 0.00 178.15 177.37 3exf h GLU 250 N -1.20 -0.60 -1.27 2.37 5.08 -0.38 0.01 114.58 118.59 3exf h GLU 250 Ca -0.11 0.04 0.43 0.00 -1.00 0.00 0.00 59.36 58.72 3exf h GLU 250 Cb 0.80 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.05 3exf h GLU 250 CO 0.18 -0.40 0.81 0.00 -1.00 0.00 0.00 179.01 178.59 3exf h ALA 251 N -0.30 2.64 0.02 3.43 0.00 -0.43 0.07 119.26 124.68 3exf h ALA 251 Ca 0.03 0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 3exf h ALA 251 Cb 0.70 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3exf h ALA 251 CO -0.40 -1.29 -1.92 0.45 0.00 0.00 0.00 179.25 176.09 3exf n SER 252 N -4.78 0.94 -0.15 0.00 2.88 -0.35 -3.08 113.62 109.08 3exf n SER 252 Ca 0.37 0.28 -0.05 0.00 -1.33 0.00 0.00 58.87 58.14 3exf n SER 252 Cb 1.40 0.01 0.04 0.00 -0.75 0.00 0.00 64.21 64.91 3exf n SER 252 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3exf h VAL 253 N 0.01 0.97 -0.02 2.46 2.07 0.72 0.59 116.25 123.06 3exf h VAL 253 Ca -0.37 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3exf h VAL 253 Cb 2.06 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3exf h VAL 253 CO 0.06 0.08 0.03 0.24 0.02 0.00 0.00 177.57 178.01 3exf h MET 254 N 0.46 0.00 0.08 1.57 2.86 -1.08 1.31 114.93 120.14 3exf h MET 254 Ca 0.20 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.48 3exf h MET 254 Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3exf h MET 254 CO -0.14 0.00 -2.05 1.17 1.06 0.00 0.00 176.91 176.95 3exf n LYS 255 N -3.46 0.71 0.02 1.72 4.81 -0.62 -4.54 118.16 116.81 3exf n LYS 255 Ca -0.03 0.27 -0.07 0.00 -0.87 0.00 0.00 58.31 57.61 3exf n LYS 255 Cb 0.11 -1.67 -0.12 0.00 0.02 0.00 0.00 35.03 33.37 3exf n LYS 255 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3exf h THR 256 N -0.08 1.17 0.00 3.15 1.35 0.12 -3.48 112.91 115.14 3exf h THR 256 Ca -0.46 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 62.47 3exf h THR 256 Cb 1.93 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.91 3exf h THR 256 CO 0.01 0.66 0.00 0.59 -0.25 0.00 0.00 175.52 176.53 3exf n ASN 257 N -3.16 -2.26 -3.99 5.36 5.03 0.44 -4.60 115.26 112.08 3exf n ASN 257 Ca -0.09 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.24 3exf n ASN 257 Cb 0.98 -2.25 -0.12 0.00 -1.02 0.00 0.00 39.78 37.37 3exf n ASN 257 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3exf s HIS 258 N -1.53 0.39 -0.08 3.10 3.76 -1.26 -1.44 115.29 118.22 3exf s HIS 258 Ca 0.00 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.49 3exf s HIS 258 Cb 0.00 -0.25 0.03 0.00 1.11 0.00 0.00 32.58 33.47 3exf s HIS 258 CO 0.00 -0.11 0.01 -1.17 -0.85 0.00 0.00 174.74 172.62 3exf s LEU 259 N -1.18 0.58 -0.12 0.89 2.96 -1.26 -0.96 118.68 119.60 3exf s LEU 259 Ca -0.10 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3exf s LEU 259 Cb -0.08 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 3exf s LEU 259 CO -0.00 -0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.00 3exf s VAL 260 N 1.99 3.05 -0.12 1.68 1.01 -0.77 -1.92 120.40 125.32 3exf s VAL 260 Ca 0.05 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 3exf s VAL 260 Cb -0.13 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3exf s VAL 260 CO -0.05 0.53 0.27 0.42 0.00 0.00 0.00 175.10 176.27 3exf s THR 261 N 0.21 5.30 -0.10 3.92 -4.23 0.97 -1.14 115.64 120.58 3exf s THR 261 Ca -0.08 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 3exf s THR 261 Cb -0.15 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3exf s THR 261 CO 0.05 0.49 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.70 3exf s VAL 262 N -0.22 1.96 0.05 2.29 1.01 0.59 -1.05 120.40 125.02 3exf s VAL 262 Ca 0.17 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 3exf s VAL 262 Cb -0.13 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.59 3exf s VAL 262 CO 0.05 0.54 0.50 -1.83 0.00 0.00 0.00 175.10 174.37 3exf s GLU 263 N 0.44 1.02 0.25 2.72 -1.05 -0.59 -3.96 118.70 117.53 3exf s GLU 263 Ca -0.17 -0.26 0.24 0.00 -0.15 0.00 0.00 54.97 54.63 3exf s GLU 263 Cb -0.17 0.47 0.43 0.00 -0.44 0.00 0.00 34.13 34.41 3exf s GLU 263 CO 0.07 -0.37 1.50 0.78 0.95 0.00 0.00 175.26 178.19 3exf h GLY 264 N 2.80 0.00 -0.85 -3.83 0.00 -1.85 -3.21 103.07 96.12 3exf h GLY 264 Ca -0.31 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.59 3exf h GLY 264 CO 0.41 0.00 0.24 -0.32 0.00 0.00 0.00 176.54 176.87 3exf s GLY 265 N -3.91 1.62 0.73 4.60 0.00 -1.26 -3.54 107.32 105.56 3exf s GLY 265 Ca 0.07 -0.84 -0.16 0.00 0.00 0.00 0.00 44.72 43.79 3exf s GLY 265 CO 0.68 -0.08 0.48 0.79 0.00 0.00 0.00 173.10 174.97 3exf n TRP 266 N -4.26 -0.95 0.00 1.90 8.01 -1.26 -1.75 117.44 119.13 3exf n TRP 266 Ca 0.11 0.34 0.00 0.00 -1.31 0.00 0.00 57.50 56.64 3exf n TRP 266 Cb 0.59 -1.90 0.00 0.00 -2.01 0.00 0.00 31.31 27.99 3exf n TRP 266 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 3exf n PRO 267 N -0.65 0.00 -1.52 -0.99 -0.04 -1.26 -4.18 135.00 126.36 3exf n PRO 267 Ca 0.10 0.49 -0.49 0.00 -0.04 0.00 0.00 63.50 63.56 3exf n PRO 267 Cb 0.50 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 3exf n PRO 267 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3exf n GLN 268 N -1.98 1.41 -0.99 0.54 6.02 -1.26 0.63 117.38 121.74 3exf n GLN 268 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 3exf n GLN 268 Cb 0.00 -2.65 0.00 0.00 1.02 0.00 0.00 30.24 28.61 3exf n GLN 268 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3exf n PHE 269 N 9.74 0.00 -2.01 1.08 3.72 -1.26 -5.02 117.46 123.71 3exf n PHE 269 Ca 0.36 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.48 3exf n PHE 269 Cb 0.28 -0.27 0.08 0.00 -0.94 0.00 0.00 39.48 38.64 3exf n PHE 269 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3exf s GLY 270 N -2.53 1.63 0.19 1.37 0.00 0.20 -4.84 107.32 103.33 3exf s GLY 270 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 44.72 43.77 3exf s GLY 270 CO 0.00 -0.30 1.60 -2.08 0.00 0.00 0.00 173.10 172.32 3exf h VAL 271 N -0.89 0.22 0.00 1.40 2.07 -1.84 0.16 116.25 117.37 3exf h VAL 271 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3exf h VAL 271 Cb 1.32 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3exf h VAL 271 CO 0.64 0.00 0.04 1.23 0.02 0.00 0.00 177.57 179.50 3exf h GLY 272 N -0.14 0.00 0.51 2.17 0.00 -1.91 -2.49 103.07 101.21 3exf h GLY 272 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3exf h GLY 272 CO -0.65 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 175.79 3exf h ALA 273 N 1.92 -0.29 -0.92 3.60 0.00 -1.23 -3.26 119.26 119.09 3exf h ALA 273 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3exf h ALA 273 Cb 0.08 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3exf h ALA 273 CO 0.00 -0.41 0.61 1.49 0.00 0.00 0.00 179.25 180.93 3exf h GLU 274 N -0.78 1.18 -0.30 0.00 4.57 -1.32 -2.43 114.58 115.50 3exf h GLU 274 Ca -0.03 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3exf h GLU 274 Cb 0.51 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3exf h GLU 274 CO 0.05 0.78 0.12 0.82 -1.18 0.00 0.00 179.01 179.59 3exf h ILE 275 N 1.21 0.94 0.37 2.32 2.04 -1.65 -2.35 117.51 120.39 3exf h ILE 275 Ca 0.35 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 3exf h ILE 275 Cb -0.08 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3exf h ILE 275 CO -0.09 0.05 -0.44 0.00 0.00 0.00 0.00 178.15 177.67 3exf h ALA 277 N -0.53 2.31 0.00 0.00 0.00 -1.37 0.12 119.26 119.79 3exf h ALA 277 Ca -0.03 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3exf h ALA 277 Cb 0.77 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3exf h ALA 277 CO -0.11 -0.67 -0.61 0.00 0.00 0.00 0.00 179.25 177.86 3exf h ARG 278 N 0.36 0.00 -0.05 0.00 2.47 -0.86 -1.34 114.38 114.96 3exf h ARG 278 Ca 0.55 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 59.09 3exf h ARG 278 Cb 1.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 3exf h ARG 278 CO -0.23 0.61 -0.76 0.97 0.56 0.00 0.00 179.97 181.12 3exf h ILE 279 N 0.00 1.41 0.04 2.04 -0.00 0.51 -2.77 117.51 118.75 3exf h ILE 279 Ca -0.01 -2.24 -0.32 0.00 -0.00 0.00 0.00 64.86 62.29 3exf h ILE 279 Cb 1.43 2.19 -0.04 0.00 -0.00 0.00 0.00 36.82 40.40 3exf h ILE 279 CO 0.08 0.67 -1.82 0.80 -0.00 0.00 0.00 178.15 177.87 3exf n MET 280 N -3.80 0.68 0.00 2.19 1.56 -0.72 -2.68 117.12 114.36 3exf n MET 280 Ca -0.04 0.28 0.12 0.00 -0.27 0.00 0.00 57.70 57.79 3exf n MET 280 Cb 0.72 -1.76 0.52 0.00 2.15 0.00 0.00 33.22 34.85 3exf n MET 280 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3exf n GLU 281 N -3.20 0.01 -3.01 2.12 1.02 -0.51 -4.67 120.64 112.39 3exf n GLU 281 Ca -0.22 0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.82 3exf n GLU 281 Cb 1.05 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.98 3exf n GLU 281 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3exf n GLY 282 N 1.02 2.55 0.20 0.62 0.00 -1.05 -5.01 105.19 103.53 3exf n GLY 282 Ca 0.06 -2.25 0.05 0.00 0.00 0.00 0.00 46.02 43.88 3exf n GLY 282 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3exf h PRO 283 N 0.00 0.00 0.00 1.61 0.13 -1.87 -2.50 132.00 129.37 3exf h PRO 283 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3exf h PRO 283 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3exf h PRO 283 CO 0.37 0.32 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 3exf h ALA 284 N 1.68 1.00 -0.95 -0.56 0.00 -1.91 -3.28 119.26 115.24 3exf h ALA 284 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3exf h ALA 284 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 3exf h ALA 284 CO 0.04 0.00 0.57 0.35 0.00 0.00 0.00 179.25 180.21 3exf h PHE 285 N 0.00 1.01 -0.01 0.00 3.57 -1.22 0.47 116.94 120.76 3exf h PHE 285 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3exf h PHE 285 Cb 0.13 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3exf h PHE 285 CO 0.00 0.32 0.00 0.09 -2.23 0.00 0.00 178.31 176.49 3exf n ASN 286 N -4.73 0.09 -0.75 0.41 3.02 -1.24 -2.62 115.26 109.44 3exf n ASN 286 Ca 0.19 -1.61 0.13 0.00 -0.03 0.00 0.00 54.58 53.26 3exf n ASN 286 Cb 0.42 -0.01 0.26 0.00 -0.61 0.00 0.00 39.78 39.85 3exf n ASN 286 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3exf n PHE 287 N -0.64 0.00 -2.75 3.10 3.01 0.17 -4.87 117.46 115.47 3exf n PHE 287 Ca 0.10 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.13 3exf n PHE 287 Cb 0.06 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 3exf n PHE 287 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3exf s LEU 288 N -2.02 3.88 0.00 4.37 2.01 -1.08 -3.95 118.68 121.89 3exf s LEU 288 Ca 0.31 0.06 0.21 0.00 0.01 0.00 0.00 54.13 54.73 3exf s LEU 288 Cb 0.20 -3.17 1.00 0.00 0.01 0.00 0.00 46.19 44.24 3exf s LEU 288 CO 0.32 -1.19 1.68 0.47 1.01 0.00 0.00 176.35 178.64 3exf n ASP 289 N 7.55 0.00 -3.50 2.29 8.00 -0.52 -4.91 116.55 125.46 3exf n ASP 289 Ca 0.06 0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 3exf n ASP 289 Cb 0.48 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3exf n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3exf s ALA 290 N -2.77 -1.60 0.41 2.24 0.00 -1.25 -5.07 121.76 113.72 3exf s ALA 290 Ca 0.16 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.36 3exf s ALA 290 Cb 0.14 0.79 -0.12 0.00 0.00 0.00 0.00 23.12 23.94 3exf s ALA 290 CO 0.35 -0.80 0.81 -0.35 0.00 0.00 0.00 175.76 175.78 3exf n PRO 291 N -0.37 0.99 -1.86 0.00 -0.04 -1.26 -4.81 135.00 127.65 3exf n PRO 291 Ca -0.14 0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 63.33 3exf n PRO 291 Cb 0.64 -1.79 0.05 0.00 -0.04 0.00 0.00 33.50 32.35 3exf n PRO 291 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3exf s ALA 292 N -1.33 2.44 0.06 0.55 0.00 -1.26 -4.74 121.76 117.49 3exf s ALA 292 Ca 0.63 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3exf s ALA 292 Cb -0.59 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 3exf s ALA 292 CO 0.57 -1.33 -0.04 0.14 0.00 0.00 0.00 175.76 175.10 3exf s VAL 293 N -1.74 0.38 -0.15 0.00 -7.23 -0.81 -5.03 120.40 105.82 3exf s VAL 293 Ca 0.76 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 3exf s VAL 293 Cb -0.29 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 3exf s VAL 293 CO 0.36 -0.92 -0.12 -0.13 -0.31 0.00 0.00 175.10 173.99 3exf s ARG 294 N -3.72 3.36 -0.36 4.82 0.52 -1.26 -0.02 118.95 122.28 3exf s ARG 294 Ca 0.07 -0.68 -0.10 0.00 -0.52 0.00 0.00 55.73 54.50 3exf s ARG 294 Cb 0.06 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.84 3exf s ARG 294 CO -0.08 0.10 0.18 0.08 0.02 0.00 0.00 175.30 175.60 3exf s VAL 295 N 0.65 4.45 0.49 3.52 1.01 -0.22 -4.99 120.40 125.32 3exf s VAL 295 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3exf s VAL 295 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3exf s VAL 295 CO 0.02 -0.18 0.02 0.42 0.00 0.00 0.00 175.10 175.38 3exf s THR 296 N 1.54 1.17 0.71 3.92 -4.23 -1.26 -1.54 115.64 115.95 3exf s THR 296 Ca 0.02 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 3exf s THR 296 Cb -0.19 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.41 3exf s THR 296 CO 0.06 0.00 1.24 -0.83 -0.54 0.00 0.00 174.62 174.55 3exf s GLY 297 N -3.82 2.52 0.78 3.99 0.00 -0.72 -4.27 107.32 105.79 3exf s GLY 297 Ca 0.11 1.01 -0.13 0.00 0.00 0.00 0.00 44.72 45.72 3exf s GLY 297 CO 0.06 1.43 1.16 0.00 0.00 0.00 0.00 173.10 175.75 3exf s ALA 298 N -1.77 2.01 -1.02 3.20 0.00 0.20 -4.32 121.76 120.06 3exf s ALA 298 Ca 0.78 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 3exf s ALA 298 Cb -0.33 -3.41 0.13 0.00 0.00 0.00 0.00 23.12 19.51 3exf s ALA 298 CO 0.44 -2.03 2.43 -3.47 0.00 0.00 0.00 175.76 173.14 3exf n ASP 299 N -3.23 7.50 -3.93 0.00 -0.08 -1.26 -4.80 116.55 110.75 3exf n ASP 299 Ca 0.12 -3.25 -0.10 0.00 -1.51 0.00 0.00 54.79 50.06 3exf n ASP 299 Cb 0.51 -1.29 -0.10 0.00 2.34 0.00 0.00 41.12 42.58 3exf n ASP 299 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3exf s VAL 300 N -1.96 0.11 0.82 5.18 -7.23 -1.26 -5.12 120.40 110.94 3exf s VAL 300 Ca 0.54 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.65 3exf s VAL 300 Cb 0.25 -0.57 0.08 0.00 0.56 0.00 0.00 36.38 36.70 3exf s VAL 300 CO -0.15 -0.51 1.11 -2.65 -0.31 0.00 0.00 175.10 172.59 3exf n PRO 301 N 1.22 0.11 -2.68 4.82 -0.02 -1.26 -4.88 135.00 132.31 3exf n PRO 301 Ca -0.22 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 3exf n PRO 301 Cb 0.56 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3exf n PRO 301 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3exf s MET 302 N -4.04 4.44 0.83 -0.52 1.75 -1.26 -4.95 119.30 115.55 3exf s MET 302 Ca 0.71 1.41 -0.12 0.00 -1.25 0.00 0.00 55.69 56.45 3exf s MET 302 Cb -0.29 -3.53 0.09 0.00 2.84 0.00 0.00 34.83 33.94 3exf s MET 302 CO 0.53 -0.29 1.18 -1.25 -0.65 0.00 0.00 175.02 174.54 3exf s PRO 303 N 1.90 1.81 -0.26 4.11 0.04 -1.26 -2.15 135.00 139.18 3exf s PRO 303 Ca 0.49 0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 3exf s PRO 303 Cb -0.19 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 3exf s PRO 303 CO 0.19 -1.70 -0.36 0.98 0.04 0.00 0.00 177.00 176.15 3exf n TYR 304 N -3.39 0.00 -1.68 0.56 9.36 -1.26 -4.38 117.16 116.37 3exf n TYR 304 Ca 0.08 0.00 -0.51 0.00 3.32 0.00 0.00 57.90 60.79 3exf n TYR 304 Cb 0.61 -0.91 -0.05 0.00 -0.63 0.00 0.00 39.34 38.35 3exf n TYR 304 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3exf n ALA 305 N -4.28 0.47 -0.03 2.98 0.00 -1.26 -4.69 120.51 113.69 3exf n ALA 305 Ca -0.48 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 3exf n ALA 305 Cb 0.82 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 3exf n ALA 305 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3exf n LYS 306 N 5.20 -0.03 -0.02 0.00 4.76 -1.26 -1.40 118.16 125.41 3exf n LYS 306 Ca 0.22 0.12 0.06 0.00 -2.87 0.00 0.00 58.31 55.84 3exf n LYS 306 Cb 0.24 -0.18 0.45 0.00 -1.84 0.00 0.00 35.03 33.70 3exf n LYS 306 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 3exf h ILE 307 N 0.00 1.05 0.08 -0.18 2.10 -1.99 -0.26 117.51 118.31 3exf h ILE 307 Ca 0.01 -0.18 -0.23 0.00 1.08 0.00 0.00 64.86 65.55 3exf h ILE 307 Cb 0.03 0.49 -0.01 0.00 -1.09 0.00 0.00 36.82 36.25 3exf h ILE 307 CO -0.07 0.09 -1.16 -0.07 -1.08 0.00 0.00 178.15 175.86 3exf h LEU 308 N 0.51 0.27 -1.19 2.19 3.38 -1.59 -3.05 115.31 115.85 3exf h LEU 308 Ca 0.18 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 57.39 3exf h LEU 308 Cb 0.09 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3exf h LEU 308 CO -0.04 1.50 0.57 -0.08 0.09 0.00 0.00 178.44 180.47 3exf h GLU 309 N -0.52 0.97 0.00 1.13 4.81 -1.21 -1.76 114.58 118.00 3exf h GLU 309 Ca -0.26 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 3exf h GLU 309 Cb 1.58 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 3exf h GLU 309 CO 0.01 0.64 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.33 3exf h ASP 310 N 1.00 0.00 -0.69 1.04 5.19 -1.13 -2.88 116.42 118.94 3exf h ASP 310 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3exf h ASP 310 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3exf h ASP 310 CO -0.13 0.16 0.00 0.59 -3.12 0.00 0.00 179.24 176.74 3exf n ASN 311 N -3.44 4.64 -0.07 6.45 3.02 -0.72 -4.22 115.26 120.93 3exf n ASN 311 Ca -0.01 -2.34 -0.08 0.00 -0.03 0.00 0.00 54.58 52.13 3exf n ASN 311 Cb 0.34 -0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 3exf n ASN 311 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3exf n SER 312 N 1.31 2.16 -4.68 6.41 7.64 -0.88 -4.72 113.62 120.86 3exf n SER 312 Ca 0.26 -0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.86 3exf n SER 312 Cb 0.84 0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 64.46 3exf n SER 312 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3exf s ILE 313 N -2.31 3.75 -0.02 0.44 -1.16 -1.20 0.61 121.20 121.32 3exf s ILE 313 Ca -0.11 -1.52 -0.30 0.00 -0.51 0.00 0.00 60.65 58.21 3exf s ILE 313 Cb 0.04 -2.93 -0.04 0.00 0.61 0.00 0.00 42.46 40.14 3exf s ILE 313 CO 0.47 -0.19 1.22 -2.16 -2.81 0.00 0.00 174.94 171.47 3exf s PRO 314 N -3.20 4.37 0.46 3.50 0.04 -1.26 -4.91 135.00 133.99 3exf s PRO 314 Ca 0.29 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3exf s PRO 314 Cb -0.08 -3.50 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 3exf s PRO 314 CO 0.20 -0.40 0.68 -0.65 0.04 0.00 0.00 177.00 176.87 3exf s GLN 315 N 1.90 3.02 0.21 4.56 -1.52 -1.26 -4.95 119.66 121.61 3exf s GLN 315 Ca 0.58 -0.50 -0.16 0.00 -1.95 0.00 0.00 55.36 53.32 3exf s GLN 315 Cb -0.27 -2.55 0.21 0.00 -0.22 0.00 0.00 33.01 30.18 3exf s GLN 315 CO 0.25 -0.31 1.60 0.28 -0.25 0.00 0.00 175.29 176.85 3exf h VAL 316 N 0.36 0.24 0.00 1.09 2.07 -1.96 0.38 116.25 118.42 3exf h VAL 316 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3exf h VAL 316 Cb 1.26 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3exf h VAL 316 CO 0.57 0.00 0.26 0.07 0.02 0.00 0.00 177.57 178.49 3exf h LYS 317 N -0.08 0.00 0.00 1.57 2.10 -1.94 -0.36 116.57 117.87 3exf h LYS 317 Ca 0.29 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.74 3exf h LYS 317 Cb 0.53 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.83 3exf h LYS 317 CO -0.70 0.00 -1.54 -0.25 -2.00 0.00 0.00 179.45 174.96 3exf n ASP 318 N -2.71 0.79 0.00 7.07 8.00 0.13 -2.70 116.55 127.13 3exf n ASP 318 Ca -0.02 0.35 -0.18 0.00 0.71 0.00 0.00 54.79 55.65 3exf n ASP 318 Cb 0.30 0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.53 3exf n ASP 318 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3exf h ILE 319 N 0.00 1.35 -0.04 0.53 2.04 -0.84 -3.02 117.51 117.53 3exf h ILE 319 Ca -0.20 -2.05 0.03 0.00 1.00 0.00 0.00 64.86 63.64 3exf h ILE 319 Cb 1.68 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 40.09 3exf h ILE 319 CO 0.05 0.62 -0.13 0.40 0.00 0.00 0.00 178.15 179.09 3exf h ILE 320 N 0.16 0.66 -0.34 -0.67 2.04 -1.41 -1.53 117.51 116.42 3exf h ILE 320 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3exf h ILE 320 Cb 1.39 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 38.05 3exf h ILE 320 CO 0.14 0.00 -0.29 0.15 0.00 0.00 0.00 178.15 178.15 3exf h PHE 321 N -0.20 -0.80 0.00 1.37 3.04 -1.57 0.45 116.94 119.23 3exf h PHE 321 Ca 0.06 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 3exf h PHE 321 Cb 0.28 0.40 -0.00 0.00 2.56 0.00 0.00 35.95 39.20 3exf h PHE 321 CO -0.21 -0.36 -0.02 0.00 -2.02 0.00 0.00 178.31 175.70 3exf h ALA 322 N 0.78 1.30 0.03 2.41 0.00 -1.37 0.15 119.26 122.57 3exf h ALA 322 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3exf h ALA 322 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3exf h ALA 322 CO -0.48 0.02 -0.02 0.82 0.00 0.00 0.00 179.25 179.59 3exf h ILE 323 N 0.00 1.02 -1.07 0.00 2.04 0.78 -0.53 117.51 119.74 3exf h ILE 323 Ca -0.00 -1.64 0.30 0.00 1.00 0.00 0.00 64.86 64.52 3exf h ILE 323 Cb 0.07 1.88 -0.12 0.00 -0.74 0.00 0.00 36.82 37.90 3exf h ILE 323 CO 0.00 0.33 0.66 0.11 0.00 0.00 0.00 178.15 179.25 3exf h LYS 324 N -0.96 0.35 0.61 2.37 1.57 -0.39 0.37 116.57 120.49 3exf h LYS 324 Ca -0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3exf h LYS 324 Cb 0.57 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3exf h LYS 324 CO 0.01 0.23 -0.29 0.87 -0.57 0.00 0.00 179.45 179.70 3exf h LYS 325 N 0.36 -0.79 -0.68 3.15 1.79 -0.73 0.05 116.57 119.72 3exf h LYS 325 Ca 0.68 0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 59.16 3exf h LYS 325 Cb 1.67 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 32.47 3exf h LYS 325 CO -0.42 -0.49 0.28 1.79 -1.08 0.00 0.00 179.45 179.52 3exf h THR 326 N -1.14 1.23 0.00 -0.16 1.35 -0.07 0.21 112.91 114.33 3exf h THR 326 Ca -0.08 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3exf h THR 326 Cb 0.67 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3exf h THR 326 CO 0.14 0.29 0.00 -0.07 -0.25 0.00 0.00 175.52 175.63 3exf h LEU 327 N 0.98 0.00 -1.85 3.87 3.38 -0.42 -3.46 115.31 117.81 3exf h LEU 327 Ca 0.23 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.92 3exf h LEU 327 Cb 0.18 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.09 3exf h LEU 327 CO -0.02 0.00 -0.72 -3.20 0.09 0.00 0.00 178.44 174.59 3exf n ASN 328 N -2.34 -2.88 0.00 -0.43 4.05 0.73 -5.04 115.26 109.36 3exf n ASN 328 Ca 0.03 -0.58 0.00 0.00 0.45 0.00 0.00 54.58 54.48 3exf n ASN 328 Cb 0.30 -4.73 0.00 0.00 1.23 0.00 0.00 39.78 36.57 3exf n ASN 328 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51