#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwb s THR 5 N 0.00 1.46 0.03 1.55 2.01 -1.26 -3.17 115.64 116.25 3mwb s THR 5 Ca 0.00 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.42 3mwb s THR 5 Cb 0.00 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 3mwb s THR 5 CO 0.00 0.43 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.81 3mwb s TYR 6 N 0.63 2.40 0.35 4.92 2.02 -0.18 -0.36 117.35 127.13 3mwb s TYR 6 Ca -0.14 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 3mwb s TYR 6 Cb -0.16 -1.44 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3mwb s TYR 6 CO 0.04 0.14 0.45 0.95 -1.57 0.00 0.00 175.55 175.56 3mwb s THR 7 N -0.80 3.83 0.21 -0.71 -4.23 -0.37 -0.21 115.64 113.35 3mwb s THR 7 Ca 0.12 -1.06 -0.18 0.00 -1.18 0.00 0.00 61.69 59.39 3mwb s THR 7 Cb -0.10 -3.32 0.03 0.00 1.34 0.00 0.00 72.50 70.45 3mwb s THR 7 CO 0.02 -0.14 0.55 0.72 -0.54 0.00 0.00 174.62 175.24 3mwb s PHE 8 N -2.22 -0.13 -0.41 3.99 -0.12 -0.69 -4.33 117.98 114.07 3mwb s PHE 8 Ca 0.46 -0.22 -0.27 0.00 -0.05 0.00 0.00 56.93 56.84 3mwb s PHE 8 Cb -0.09 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 3mwb s PHE 8 CO 0.31 -0.96 2.01 -1.17 -0.05 0.00 0.00 175.22 175.35 3mwb s LEU 9 N -2.88 3.42 0.00 -1.99 2.96 -1.26 -0.66 118.68 118.27 3mwb s LEU 9 Ca 0.10 1.12 -0.11 0.00 -0.22 0.00 0.00 54.13 55.02 3mwb s LEU 9 Cb -0.02 -3.07 0.16 0.00 0.50 0.00 0.00 46.19 43.76 3mwb s LEU 9 CO -0.01 -2.15 0.79 0.61 -1.32 0.00 0.00 176.35 174.26 3mwb n GLY 10 N 5.66 -1.79 0.24 7.98 0.00 0.13 -4.60 105.19 112.82 3mwb n GLY 10 Ca 0.26 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.64 3mwb n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mwb n PRO 11 N -3.05 -0.04 -1.92 1.61 -0.04 -1.26 -4.88 135.00 125.43 3mwb n PRO 11 Ca 0.10 -0.13 -0.40 0.00 -0.04 0.00 0.00 63.50 63.03 3mwb n PRO 11 Cb 0.37 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 3mwb n PRO 11 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3mwb s GLN 12 N -3.14 3.95 0.00 0.54 0.74 -1.26 -3.41 119.66 117.08 3mwb s GLN 12 Ca 0.05 2.35 0.00 0.00 0.05 0.00 0.00 55.36 57.80 3mwb s GLN 12 Cb -0.00 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.30 3mwb s GLN 12 CO 0.03 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 174.61 3mwb n GLY 13 N 0.61 0.70 3.80 2.59 0.00 -1.26 -4.86 105.19 106.77 3mwb n GLY 13 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3mwb n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mwb s THR 14 N -2.51 2.92 0.53 2.61 -4.23 -1.22 -4.14 115.64 109.59 3mwb s THR 14 Ca 0.00 0.30 0.22 0.00 -1.18 0.00 0.00 61.69 61.03 3mwb s THR 14 Cb 0.00 -3.03 0.36 0.00 1.34 0.00 0.00 72.50 71.17 3mwb s THR 14 CO 0.00 -0.39 2.04 -0.26 -0.54 0.00 0.00 174.62 175.47 3mwb h PHE 15 N -1.16 0.01 -0.54 3.99 -1.00 -1.94 -1.98 116.94 114.33 3mwb h PHE 15 Ca -0.47 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.19 3mwb h PHE 15 Cb 1.28 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.81 3mwb h PHE 15 CO 0.44 0.01 -0.11 1.15 -1.61 0.00 0.00 178.31 178.19 3mwb h THR 16 N 0.01 1.27 -0.40 -1.55 2.02 -1.92 -1.02 112.91 111.31 3mwb h THR 16 Ca 0.18 -1.26 -0.16 0.00 0.77 0.00 0.00 66.41 65.94 3mwb h THR 16 Cb 0.71 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3mwb h THR 16 CO -0.00 0.45 -0.37 -0.08 0.37 0.00 0.00 175.52 175.88 3mwb h GLU 17 N 0.91 0.95 -0.74 6.66 4.81 -1.63 -1.80 114.58 123.74 3mwb h GLU 17 Ca 0.14 -0.49 0.09 0.00 -0.13 0.00 0.00 59.36 58.97 3mwb h GLU 17 Cb 0.67 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.00 3mwb h GLU 17 CO 0.05 1.15 0.39 0.00 -0.73 0.00 0.00 179.01 179.87 3mwb h ALA 18 N 0.79 1.02 -0.44 2.92 0.00 -1.20 -0.96 119.26 121.39 3mwb h ALA 18 Ca 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mwb h ALA 18 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3mwb h ALA 18 CO 0.09 0.01 0.27 0.00 0.00 0.00 0.00 179.25 179.62 3mwb h ALA 19 N 1.43 0.56 0.00 0.00 0.00 -1.02 -3.23 119.26 117.00 3mwb h ALA 19 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3mwb h ALA 19 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mwb h ALA 19 CO -0.25 0.05 0.00 -0.11 0.00 0.00 0.00 179.25 178.94 3mwb n LEU 20 N -4.74 0.14 0.00 0.00 7.94 -0.37 -3.59 117.00 116.38 3mwb n LEU 20 Ca 0.01 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3mwb n LEU 20 Cb 0.05 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 43.97 3mwb n LEU 20 CO 0.35 0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.66 3mwb n GLN 22 N 1.50 0.00 -1.96 1.96 10.64 -1.22 -4.61 117.38 123.69 3mwb n GLN 22 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 3mwb n GLN 22 Cb 0.02 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.37 3mwb n GLN 22 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3mwb s VAL 23 N 0.00 2.59 -0.24 -0.39 1.01 -1.24 -4.91 120.40 117.22 3mwb s VAL 23 Ca 0.00 0.46 -0.38 0.00 0.00 0.00 0.00 61.98 62.07 3mwb s VAL 23 Cb 0.00 -3.30 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 3mwb s VAL 23 CO 0.00 0.06 1.87 -2.65 0.00 0.00 0.00 175.10 174.38 3mwb n PRO 24 N 3.02 1.41 -0.26 2.72 -0.02 -1.26 -1.43 135.00 139.19 3mwb n PRO 24 Ca 0.10 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3mwb n PRO 24 Cb 0.39 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3mwb n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwb n GLY 25 N 4.74 1.78 0.08 -1.23 0.00 -1.26 -4.91 105.19 104.39 3mwb n GLY 25 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 3mwb n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb h ALA 26 N 0.00 0.46 -0.13 4.61 0.00 -1.51 -2.46 119.26 120.24 3mwb h ALA 26 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 54.91 54.15 3mwb h ALA 26 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mwb h ALA 26 CO 0.00 1.10 0.12 0.00 0.00 0.00 0.00 179.25 180.46 3mwb h ALA 27 N 1.12 1.87 0.00 0.00 0.00 -1.82 -2.14 119.26 118.30 3mwb h ALA 27 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mwb h ALA 27 Cb 1.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3mwb h ALA 27 CO 0.11 -0.18 -0.38 -0.25 0.00 0.00 0.00 179.25 178.56 3mwb n ASP 28 N -4.09 1.86 -4.85 0.00 8.00 -1.14 -5.02 116.55 111.31 3mwb n ASP 28 Ca 0.00 -3.65 -0.21 0.00 0.71 0.00 0.00 54.79 51.63 3mwb n ASP 28 Cb 0.23 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.80 3mwb n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mwb s ALA 29 N -3.08 3.90 -0.13 2.24 0.00 -0.80 -5.08 121.76 118.81 3mwb s ALA 29 Ca 0.36 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 3mwb s ALA 29 Cb 0.34 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 3mwb s ALA 29 CO -0.05 -0.09 1.26 0.99 0.00 0.00 0.00 175.76 177.87 3mwb s THR 30 N -2.40 4.24 -0.25 0.00 2.01 -1.19 -4.98 115.64 113.07 3mwb s THR 30 Ca 0.44 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.96 3mwb s THR 30 Cb -0.04 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.53 3mwb s THR 30 CO 0.27 -0.10 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.88 3mwb s ARG 31 N 3.14 2.62 -0.32 4.92 0.52 -1.26 -1.01 118.95 127.56 3mwb s ARG 31 Ca 0.56 -1.11 -0.12 0.00 -0.52 0.00 0.00 55.73 54.54 3mwb s ARG 31 Cb -0.23 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 3mwb s ARG 31 CO 0.17 -0.45 0.22 0.42 0.02 0.00 0.00 175.30 175.69 3mwb s ILE 32 N 1.24 5.29 0.09 1.52 1.01 0.71 -5.00 121.20 126.06 3mwb s ILE 32 Ca -0.03 -0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3mwb s ILE 32 Cb -0.17 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 3mwb s ILE 32 CO -0.06 0.09 1.15 -2.16 0.00 0.00 0.00 174.94 173.97 3mwb s PRO 33 N 1.75 4.49 0.06 2.79 0.04 -1.26 -1.70 135.00 141.16 3mwb s PRO 33 Ca 0.07 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.91 3mwb s PRO 33 Cb -0.17 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 3mwb s PRO 33 CO 0.11 -0.14 -0.19 0.00 0.04 0.00 0.00 177.00 176.82 3mwb h THR 35 N 3.90 0.51 -3.60 0.00 1.35 -1.90 0.38 112.91 113.55 3mwb h THR 35 Ca -0.48 -0.81 -0.05 0.00 -0.55 0.00 0.00 66.41 64.52 3mwb h THR 35 Cb 1.16 1.56 -0.09 0.00 -1.73 0.00 0.00 68.15 69.04 3mwb h THR 35 CO 0.47 0.16 -0.09 0.54 -0.25 0.00 0.00 175.52 176.35 3mwb s ASN 36 N -6.11 -0.11 0.20 5.36 2.20 -1.26 -4.76 114.94 110.46 3mwb s ASN 36 Ca -0.01 -0.90 -0.11 0.00 -0.94 0.00 0.00 52.86 50.91 3mwb s ASN 36 Cb 0.11 0.60 0.19 0.00 -2.00 0.00 0.00 41.25 40.15 3mwb s ASN 36 CO 0.60 -1.15 1.82 0.58 -2.94 0.00 0.00 177.10 176.01 3mwb h VAL 37 N 2.24 1.02 -0.52 3.54 2.07 -1.92 -2.46 116.25 120.22 3mwb h VAL 37 Ca -0.26 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3mwb h VAL 37 Cb 1.25 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3mwb h VAL 37 CO 0.35 0.13 0.33 0.78 0.02 0.00 0.00 177.57 179.18 3mwb h ASN 38 N 0.71 0.56 -0.49 0.57 2.35 -1.97 0.26 115.58 117.56 3mwb h ASN 38 Ca 0.27 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 3mwb h ASN 38 Cb 0.10 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3mwb h ASN 38 CO -0.14 0.40 -0.01 0.71 -1.65 0.00 0.00 177.43 176.74 3mwb h THR 39 N 0.67 1.26 -0.22 2.81 1.35 -1.95 0.77 112.91 117.61 3mwb h THR 39 Ca 0.20 -1.09 0.02 0.00 -0.55 0.00 0.00 66.41 64.99 3mwb h THR 39 Cb -0.03 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 3mwb h THR 39 CO -0.07 0.38 0.06 0.00 -0.25 0.00 0.00 175.52 175.65 3mwb h ALA 40 N 0.93 0.23 -0.67 6.62 0.00 -1.06 -1.90 119.26 123.42 3mwb h ALA 40 Ca 0.14 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3mwb h ALA 40 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3mwb h ALA 40 CO 0.03 -0.36 0.28 -0.07 0.00 0.00 0.00 179.25 179.13 3mwb h LEU 41 N 0.16 0.89 -0.48 0.00 4.07 -0.67 -3.06 115.31 116.21 3mwb h LEU 41 Ca 0.09 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3mwb h LEU 41 Cb 0.07 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 3mwb h LEU 41 CO -0.11 0.78 0.31 -0.33 -1.08 0.00 0.00 178.44 178.01 3mwb h GLU 42 N 0.96 0.65 -0.64 1.13 4.39 0.10 -1.05 114.58 120.12 3mwb h GLU 42 Ca 0.23 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.99 3mwb h GLU 42 Cb 0.16 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 3mwb h GLU 42 CO -0.02 0.45 0.21 0.00 -1.16 0.00 0.00 179.01 178.49 3mwb h ARG 43 N 0.65 0.35 -0.01 2.33 -0.00 -1.27 0.26 114.38 116.70 3mwb h ARG 43 Ca 0.18 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.63 3mwb h ARG 43 Cb -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 29.97 29.85 3mwb h ARG 43 CO -0.04 0.23 0.00 0.28 0.00 0.00 0.00 179.97 180.45 3mwb h VAL 44 N 0.37 1.16 -0.23 2.04 2.07 -1.43 0.21 116.25 120.44 3mwb h VAL 44 Ca 0.34 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3mwb h VAL 44 Cb 0.47 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3mwb h VAL 44 CO -0.36 0.12 0.14 -0.09 0.02 0.00 0.00 177.57 177.40 3mwb h ARG 45 N -0.19 0.30 -0.01 1.57 2.43 -0.44 -1.91 114.38 116.13 3mwb h ARG 45 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3mwb h ARG 45 Cb 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3mwb h ARG 45 CO -0.00 0.21 -0.03 0.00 -1.51 0.00 0.00 179.97 178.64 3mwb n ALA 46 N -2.50 2.63 -0.91 2.80 0.00 0.83 -4.94 120.51 118.42 3mwb n ALA 46 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3mwb n ALA 46 Cb 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3mwb n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mwb n GLY 47 N 1.20 0.53 0.10 0.00 0.00 -0.72 -4.92 105.19 101.37 3mwb n GLY 47 Ca 0.18 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3mwb n GLY 47 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mwb h GLU 48 N 1.05 0.00 -4.03 1.61 5.08 -1.20 -3.46 114.58 113.63 3mwb h GLU 48 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3mwb h GLU 48 Cb 0.00 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.02 3mwb h GLU 48 CO 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 179.01 177.30 3mwb s ALA 49 N -3.22 0.18 0.09 3.43 0.00 -1.06 -4.95 121.76 116.22 3mwb s ALA 49 Ca 0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 3mwb s ALA 49 Cb 0.11 0.08 -0.20 0.00 0.00 0.00 0.00 23.12 23.11 3mwb s ALA 49 CO 0.72 -0.09 1.21 -0.44 0.00 0.00 0.00 175.76 177.17 3mwb h ASP 50 N 5.06 0.81 -5.09 0.00 3.32 -1.03 -3.36 116.42 116.12 3mwb h ASP 50 Ca -0.30 -0.66 -0.05 0.00 0.02 0.00 0.00 57.03 56.04 3mwb h ASP 50 Cb 1.21 -0.25 -0.12 0.00 0.22 0.00 0.00 39.33 40.39 3mwb h ASP 50 CO 0.44 1.46 -0.06 0.00 -1.72 0.00 0.00 179.24 179.36 3mwb s ALA 51 N -3.27 -0.89 0.00 3.45 0.00 -1.19 -4.25 121.76 115.61 3mwb s ALA 51 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3mwb s ALA 51 Cb 0.07 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3mwb s ALA 51 CO 0.91 -0.69 0.00 0.00 0.00 0.00 0.00 175.76 175.98 3mwb n ALA 52 N -0.26 0.00 0.00 0.00 0.00 0.11 -1.24 120.51 119.12 3mwb n ALA 52 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3mwb n ALA 52 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3mwb n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3mwb n VAL 54 N 0.00 0.00 -2.61 0.00 0.24 -0.67 -0.86 118.33 114.42 3mwb n VAL 54 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 3mwb n VAL 54 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 3mwb n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3mwb s PRO 55 N -2.55 4.20 0.00 7.34 0.04 -1.26 -0.70 135.00 142.07 3mwb s PRO 55 Ca 0.00 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3mwb s PRO 55 Cb 0.00 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3mwb s PRO 55 CO 0.00 -0.09 0.00 1.51 0.04 0.00 0.00 177.00 178.46 3mwb n ILE 56 N -0.14 0.00 -3.70 0.56 3.06 0.61 -4.36 119.36 115.39 3mwb n ILE 56 Ca 0.05 -0.04 -0.12 0.00 -2.50 0.00 0.00 62.75 60.15 3mwb n ILE 56 Cb 0.51 0.42 -0.12 0.00 0.54 0.00 0.00 39.64 40.98 3mwb n ILE 56 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3mwb s GLU 57 N -1.34 0.23 -1.24 9.51 2.02 -0.85 -4.94 118.70 122.09 3mwb s GLU 57 Ca 0.00 0.65 -0.04 0.00 0.02 0.00 0.00 54.97 55.60 3mwb s GLU 57 Cb 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.16 3mwb s GLU 57 CO 0.00 -0.19 0.77 -1.71 0.02 0.00 0.00 175.26 174.15 3mwb n ASN 58 N 4.53 -2.50 -4.71 -0.19 5.15 -1.26 -1.03 115.26 115.25 3mwb n ASN 58 Ca -0.20 -0.81 -0.42 0.00 -0.60 0.00 0.00 54.58 52.55 3mwb n ASN 58 Cb 0.53 -4.23 -0.03 0.00 -0.53 0.00 0.00 39.78 35.51 3mwb n ASN 58 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3mwb s SER 59 N -4.12 7.39 0.00 1.20 0.15 -1.26 -4.19 113.70 112.86 3mwb s SER 59 Ca 0.12 1.69 0.29 0.00 0.70 0.00 0.00 55.95 58.75 3mwb s SER 59 Cb -0.03 -2.57 1.29 0.00 -1.71 0.00 0.00 66.02 62.99 3mwb s SER 59 CO 0.80 -0.23 1.89 1.33 1.20 0.00 0.00 173.24 178.23 3mwb n VAL 60 N 3.72 0.00 0.88 4.45 0.24 -1.26 -3.19 118.33 123.17 3mwb n VAL 60 Ca 0.05 -0.07 0.10 0.00 -2.04 0.00 0.00 64.34 62.39 3mwb n VAL 60 Cb 0.51 -0.10 0.02 0.00 -1.47 0.00 0.00 33.84 32.80 3mwb n VAL 60 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3mwb n GLU 61 N -0.88 1.56 0.00 7.34 -0.58 -1.26 -3.79 120.64 123.04 3mwb n GLU 61 Ca 0.16 -1.16 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 3mwb n GLU 61 Cb 0.27 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3mwb n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mwb n GLY 62 N 1.27 -1.98 0.00 0.62 0.00 -1.19 -4.91 105.19 98.99 3mwb n GLY 62 Ca 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3mwb n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwb n GLY 63 N 0.00 1.87 0.18 -0.02 0.00 -1.26 -4.78 105.19 101.17 3mwb n GLY 63 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3mwb n GLY 63 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mwb h VAL 64 N 0.00 0.76 -0.57 1.61 2.07 -1.92 -1.41 116.25 116.79 3mwb h VAL 64 Ca 0.00 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3mwb h VAL 64 Cb 0.00 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3mwb h VAL 64 CO 0.00 0.04 0.21 0.71 0.02 0.00 0.00 177.57 178.55 3mwb h THR 65 N -0.47 1.21 -0.71 2.57 1.35 -1.92 0.96 112.91 115.90 3mwb h THR 65 Ca -0.04 -0.68 -0.07 0.00 -0.55 0.00 0.00 66.41 65.08 3mwb h THR 65 Cb 0.35 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 3mwb h THR 65 CO 0.06 0.27 0.18 0.00 -0.25 0.00 0.00 175.52 175.78 3mwb h ALA 66 N 1.41 0.94 -0.10 6.62 0.00 -1.94 0.11 119.26 126.30 3mwb h ALA 66 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mwb h ALA 66 Cb 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mwb h ALA 66 CO -0.02 0.66 0.06 1.15 0.00 0.00 0.00 179.25 181.10 3mwb h THR 67 N 1.08 1.04 -0.69 0.00 2.02 -0.40 -1.06 112.91 114.90 3mwb h THR 67 Ca 0.22 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 3mwb h THR 67 Cb 0.36 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3mwb h THR 67 CO 0.00 0.04 0.35 -0.07 0.37 0.00 0.00 175.52 176.21 3mwb h LEU 68 N 0.11 0.88 -0.14 2.58 3.38 -0.56 -1.87 115.31 119.69 3mwb h LEU 68 Ca 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3mwb h LEU 68 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3mwb h LEU 68 CO -0.01 0.74 0.07 0.44 0.09 0.00 0.00 178.44 179.77 3mwb h ASP 69 N 0.98 0.18 -0.45 -0.43 3.32 -0.68 -3.20 116.42 116.13 3mwb h ASP 69 Ca 0.24 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3mwb h ASP 69 Cb 0.08 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3mwb h ASP 69 CO -0.03 0.22 -0.09 0.00 -1.72 0.00 0.00 179.24 177.62 3mwb h ALA 70 N 0.96 0.62 0.00 3.45 0.00 -0.43 -1.92 119.26 121.95 3mwb h ALA 70 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mwb h ALA 70 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mwb h ALA 70 CO -0.01 0.50 0.00 -0.84 0.00 0.00 0.00 179.25 178.90 3mwb h ILE 71 N 0.69 0.00 0.00 0.00 -2.65 -1.49 -2.08 117.51 111.99 3mwb h ILE 71 Ca 0.12 -0.72 0.00 0.00 1.03 0.00 0.00 64.86 65.29 3mwb h ILE 71 Cb 0.63 1.70 0.00 0.00 -2.05 0.00 0.00 36.82 37.09 3mwb h ILE 71 CO 0.04 0.00 -1.42 0.00 0.03 0.00 0.00 178.15 176.80 3mwb n ALA 72 N -1.97 3.45 0.09 0.16 0.00 -1.12 -4.29 120.51 116.82 3mwb n ALA 72 Ca 0.04 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 53.01 3mwb n ALA 72 Cb 0.45 -0.66 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 3mwb n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3mwb n THR 73 N -1.84 0.00 0.00 0.00 -1.04 -0.74 -5.03 114.28 105.63 3mwb n THR 73 Ca -0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 3mwb n THR 73 Cb 0.40 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.93 3mwb n THR 73 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mwb n GLY 74 N 0.66 -0.99 3.10 3.41 0.00 -0.78 -5.06 105.19 105.53 3mwb n GLY 74 Ca 0.01 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 3mwb n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mwb s GLN 75 N 0.00 0.37 -0.90 1.61 1.03 -1.26 -5.00 119.66 115.51 3mwb s GLN 75 Ca 0.00 -0.08 -0.16 0.00 0.04 0.00 0.00 55.36 55.16 3mwb s GLN 75 Cb 0.00 0.16 0.02 0.00 0.03 0.00 0.00 33.01 33.22 3mwb s GLN 75 CO 0.00 -0.08 0.56 -0.85 -2.54 0.00 0.00 175.29 172.38 3mwb n GLU 76 N 2.15 -0.84 -4.17 9.60 0.28 -1.26 -4.99 120.64 121.41 3mwb n GLU 76 Ca -0.18 0.32 -0.16 0.00 -0.16 0.00 0.00 57.16 56.98 3mwb n GLU 76 Cb 0.57 -1.98 -0.12 0.00 1.43 0.00 0.00 31.44 31.33 3mwb n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3mwb s LEU 77 N -5.91 2.20 -0.01 -1.84 1.43 -1.26 -4.35 118.68 108.94 3mwb s LEU 77 Ca 0.22 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 3mwb s LEU 77 Cb -0.12 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 3mwb s LEU 77 CO 0.83 -0.08 -0.12 -0.13 0.23 0.00 0.00 176.35 177.08 3mwb s ARG 78 N -1.25 0.98 -0.16 1.70 1.81 -0.47 -4.64 118.95 116.91 3mwb s ARG 78 Ca -0.04 -0.41 -0.22 0.00 -1.72 0.00 0.00 55.73 53.34 3mwb s ARG 78 Cb -0.08 -0.94 -0.03 0.00 -0.45 0.00 0.00 34.95 33.46 3mwb s ARG 78 CO 0.01 0.24 0.68 0.42 -0.68 0.00 0.00 175.30 175.97 3mwb s ILE 79 N -0.21 5.00 -0.30 1.52 1.01 0.10 -1.20 121.20 127.12 3mwb s ILE 79 Ca 0.03 1.33 0.08 0.00 0.00 0.00 0.00 60.65 62.10 3mwb s ILE 79 Cb -0.05 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 3mwb s ILE 79 CO -0.00 0.13 0.32 2.30 0.00 0.00 0.00 174.94 177.68 3mwb n ILE 80 N 4.46 0.00 -3.54 2.92 -5.35 -0.37 -4.26 119.36 113.21 3mwb n ILE 80 Ca -0.00 -0.28 -0.16 0.00 -0.27 0.00 0.00 62.75 62.04 3mwb n ILE 80 Cb 0.50 0.82 -0.06 0.00 -1.74 0.00 0.00 39.64 39.16 3mwb n ILE 80 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3mwb s ARG 81 N -2.00 0.93 0.22 6.28 3.52 -1.22 -4.64 118.95 122.04 3mwb s ARG 81 Ca 0.02 0.28 0.07 0.00 -0.13 0.00 0.00 55.73 55.97 3mwb s ARG 81 Cb 0.06 0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 33.84 3mwb s ARG 81 CO 0.35 -0.28 -0.12 -1.83 -0.81 0.00 0.00 175.30 172.61 3mwb s GLU 82 N -1.06 1.36 -0.11 5.12 -1.05 -1.26 -0.01 118.70 121.69 3mwb s GLU 82 Ca -0.08 -1.63 -0.09 0.00 -0.15 0.00 0.00 54.97 53.02 3mwb s GLU 82 Cb -0.00 -1.09 0.03 0.00 -0.44 0.00 0.00 34.13 32.63 3mwb s GLU 82 CO 0.07 0.14 0.29 0.00 0.95 0.00 0.00 175.26 176.72 3mwb s ALA 83 N -3.01 -0.72 -0.34 -0.84 0.00 -0.44 -4.50 121.76 111.92 3mwb s ALA 83 Ca 0.24 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 3mwb s ALA 83 Cb 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.66 3mwb s ALA 83 CO 0.08 -0.16 0.08 -0.51 0.00 0.00 0.00 175.76 175.25 3mwb s LEU 84 N 0.42 4.41 -0.26 0.00 1.43 -1.26 -0.43 118.68 123.00 3mwb s LEU 84 Ca -0.02 -1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 51.53 3mwb s LEU 84 Cb -0.04 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3mwb s LEU 84 CO -0.02 -0.36 0.02 -0.69 0.23 0.00 0.00 176.35 175.53 3mwb s VAL 85 N 1.24 3.70 0.23 -1.59 1.01 0.37 -4.92 120.40 120.44 3mwb s VAL 85 Ca -0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 61.98 61.06 3mwb s VAL 85 Cb -0.21 -2.82 -0.13 0.00 0.00 0.00 0.00 36.38 33.23 3mwb s VAL 85 CO -0.01 0.23 1.55 -2.65 0.00 0.00 0.00 175.10 174.21 3mwb n PRO 86 N 4.83 2.34 -3.18 2.72 -0.02 -1.26 -1.69 135.00 138.74 3mwb n PRO 86 Ca -0.16 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 3mwb n PRO 86 Cb 0.49 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 3mwb n PRO 86 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mwb s ILE 87 N 0.40 5.04 -0.14 4.25 1.01 -0.31 -4.91 121.20 126.54 3mwb s ILE 87 Ca 0.71 1.02 0.01 0.00 0.00 0.00 0.00 60.65 62.39 3mwb s ILE 87 Cb -0.60 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.01 3mwb s ILE 87 CO 0.44 0.09 -0.16 -0.89 0.00 0.00 0.00 174.94 174.41 3mwb s THR 88 N 2.16 1.70 -0.06 2.92 2.01 -1.26 -4.65 115.64 118.46 3mwb s THR 88 Ca 0.25 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 3mwb s THR 88 Cb -0.16 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3mwb s THR 88 CO 0.09 0.48 0.30 -0.36 -0.69 0.00 0.00 174.62 174.44 3mwb s PHE 89 N 1.24 3.66 0.13 4.92 0.08 -1.26 -4.17 117.98 122.58 3mwb s PHE 89 Ca 0.00 0.79 0.11 0.00 0.12 0.00 0.00 56.93 57.95 3mwb s PHE 89 Cb -0.14 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3mwb s PHE 89 CO -0.08 0.66 -0.26 0.14 -0.10 0.00 0.00 175.22 175.59 3mwb s VAL 90 N -0.97 2.34 -0.25 -0.44 -7.23 -0.51 -0.25 120.40 113.08 3mwb s VAL 90 Ca 0.20 -1.74 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 3mwb s VAL 90 Cb -0.15 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3mwb s VAL 90 CO 0.09 0.08 0.13 -0.22 -0.31 0.00 0.00 175.10 174.87 3mwb s LEU 91 N -2.11 3.87 0.14 1.32 2.96 0.12 -1.32 118.68 123.66 3mwb s LEU 91 Ca 0.15 -0.02 0.11 0.00 -0.22 0.00 0.00 54.13 54.15 3mwb s LEU 91 Cb -0.10 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3mwb s LEU 91 CO 0.07 0.02 -0.25 0.68 -1.32 0.00 0.00 176.35 175.54 3mwb s VAL 92 N 1.34 2.37 0.24 1.68 -7.23 0.04 0.02 120.40 118.86 3mwb s VAL 92 Ca 0.06 -1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 3mwb s VAL 92 Cb -0.15 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 3mwb s VAL 92 CO 0.06 0.06 0.36 0.00 -0.31 0.00 0.00 175.10 175.26 3mwb s ALA 93 N -1.17 0.33 0.65 1.32 0.00 -0.22 -1.14 121.76 121.53 3mwb s ALA 93 Ca 0.16 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 3mwb s ALA 93 Cb -0.10 1.19 -0.00 0.00 0.00 0.00 0.00 23.12 24.21 3mwb s ALA 93 CO 0.07 -0.76 1.16 1.03 0.00 0.00 0.00 175.76 177.26 3mwb s ARG 94 N -4.00 2.73 0.47 0.00 1.81 -1.26 -0.03 118.95 118.68 3mwb s ARG 94 Ca 0.29 1.60 -0.24 0.00 -1.72 0.00 0.00 55.73 55.66 3mwb s ARG 94 Cb 0.02 -1.92 -0.08 0.00 -0.45 0.00 0.00 34.95 32.52 3mwb s ARG 94 CO 0.11 -1.34 1.28 -2.30 -0.68 0.00 0.00 175.30 172.36 3mwb n PRO 95 N -2.19 1.81 -0.12 3.54 -0.02 -1.26 -2.50 135.00 134.27 3mwb n PRO 95 Ca 0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3mwb n PRO 95 Cb 0.51 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3mwb n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwb n GLY 96 N 0.82 1.86 3.62 -1.23 0.00 -1.26 -5.01 105.19 103.99 3mwb n GLY 96 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3mwb n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwb s VAL 97 N -2.80 4.92 0.47 1.61 1.01 -1.04 -5.06 120.40 119.51 3mwb s VAL 97 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3mwb s VAL 97 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3mwb s VAL 97 CO 0.00 -0.07 0.69 -1.61 0.00 0.00 0.00 175.10 174.11 3mwb s GLU 98 N 2.65 3.00 0.26 2.72 0.41 -1.26 -4.89 118.70 121.59 3mwb s GLU 98 Ca 0.28 -0.50 -0.01 0.00 -0.41 0.00 0.00 54.97 54.33 3mwb s GLU 98 Cb -0.15 -2.54 0.52 0.00 -1.78 0.00 0.00 34.13 30.19 3mwb s GLU 98 CO 0.10 -0.34 1.76 -0.07 -0.49 0.00 0.00 175.26 176.22 3mwb h LEU 99 N 0.33 0.54 -0.03 1.80 3.38 -1.97 -0.69 115.31 118.67 3mwb h LEU 99 Ca -0.46 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mwb h LEU 99 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3mwb h LEU 99 CO 0.57 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.79 3mwb n SER 100 N -4.86 0.03 0.01 -0.43 3.41 -1.26 -2.10 113.62 108.42 3mwb n SER 100 Ca 0.17 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 3mwb n SER 100 Cb 0.42 -0.51 0.22 0.00 -0.26 0.00 0.00 64.21 64.08 3mwb n SER 100 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mwb n ASP 101 N -1.53 0.54 -4.62 4.04 8.00 -0.27 -4.86 116.55 117.85 3mwb n ASP 101 Ca 0.03 -0.21 -0.43 0.00 0.71 0.00 0.00 54.79 54.89 3mwb n ASP 101 Cb 0.16 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 3mwb n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mwb s ILE 102 N -3.03 4.26 -0.06 0.53 1.01 -0.89 -4.83 121.20 118.18 3mwb s ILE 102 Ca 0.10 1.36 0.17 0.00 0.00 0.00 0.00 60.65 62.28 3mwb s ILE 102 Cb 0.17 -4.47 -0.25 0.00 0.01 0.00 0.00 42.46 37.92 3mwb s ILE 102 CO 0.71 -0.77 0.28 0.29 0.00 0.00 0.00 174.94 175.45 3mwb n LYS 103 N 7.51 0.78 -3.77 2.79 4.76 -1.26 -4.46 118.16 124.51 3mwb n LYS 103 Ca 0.13 -0.11 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 3mwb n LYS 103 Cb 0.48 -1.41 -0.11 0.00 -1.84 0.00 0.00 35.03 32.15 3mwb n LYS 103 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3mwb s ARG 104 N -2.96 0.35 -0.08 1.97 1.81 -1.26 -1.41 118.95 117.37 3mwb s ARG 104 Ca -0.07 0.43 0.01 0.00 -1.72 0.00 0.00 55.73 54.39 3mwb s ARG 104 Cb 0.09 0.16 0.02 0.00 -0.45 0.00 0.00 34.95 34.77 3mwb s ARG 104 CO 0.70 -0.05 -0.11 0.42 -0.68 0.00 0.00 175.30 175.58 3mwb s ILE 105 N 0.22 1.16 -0.11 1.52 1.01 -0.63 -1.37 121.20 123.00 3mwb s ILE 105 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3mwb s ILE 105 Cb -0.02 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3mwb s ILE 105 CO -0.00 0.37 0.02 -0.55 0.00 0.00 0.00 174.94 174.78 3mwb s SER 106 N 1.00 5.39 0.22 3.58 0.15 -0.54 -0.75 113.70 122.75 3mwb s SER 106 Ca -0.08 0.15 -0.22 0.00 0.70 0.00 0.00 55.95 56.50 3mwb s SER 106 Cb -0.15 -1.64 0.06 0.00 -1.71 0.00 0.00 66.02 62.58 3mwb s SER 106 CO -0.00 0.34 0.90 0.28 1.20 0.00 0.00 173.24 175.95 3mwb s THR 107 N -0.62 0.00 0.43 6.45 -1.32 -1.18 -2.64 115.64 116.76 3mwb s THR 107 Ca 0.10 -0.77 -0.25 0.00 -1.21 0.00 0.00 61.69 59.56 3mwb s THR 107 Cb -0.12 -2.25 -0.08 0.00 -1.51 0.00 0.00 72.50 68.54 3mwb s THR 107 CO 0.02 0.00 1.31 -2.28 -2.21 0.00 0.00 174.62 171.47 3mwb s HIS 108 N -3.12 2.73 0.38 9.09 5.65 -1.26 -0.61 115.29 128.15 3mwb s HIS 108 Ca 0.14 1.40 0.13 0.00 0.25 0.00 0.00 55.06 56.97 3mwb s HIS 108 Cb -0.03 -3.69 0.93 0.00 -1.18 0.00 0.00 32.58 28.61 3mwb s HIS 108 CO 0.05 -2.23 1.86 0.78 -0.65 0.00 0.00 174.74 174.56 3mwb h GLY 109 N 2.47 1.07 1.06 1.59 0.00 -1.86 -0.74 103.07 106.66 3mwb h GLY 109 Ca -0.50 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 3mwb h GLY 109 CO 0.62 0.04 0.18 0.45 0.00 0.00 0.00 176.54 177.83 3mwb h HIS 110 N 0.56 1.19 -0.20 5.60 3.86 -1.91 -1.88 115.15 122.36 3mwb h HIS 110 Ca 0.46 -0.14 -0.07 0.00 -1.16 0.00 0.00 60.37 59.45 3mwb h HIS 110 Cb 0.91 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 3mwb h HIS 110 CO -0.00 0.96 -0.17 0.00 0.86 0.00 0.00 177.93 179.58 3mwb h ALA 111 N 1.09 0.29 -0.62 2.45 0.00 -1.28 -3.06 119.26 118.13 3mwb h ALA 111 Ca 0.22 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3mwb h ALA 111 Cb 0.36 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3mwb h ALA 111 CO 0.00 0.19 0.19 2.35 0.00 0.00 0.00 179.25 181.98 3mwb h TRP 112 N 0.14 0.32 0.00 0.00 2.91 -1.11 -1.44 115.95 116.78 3mwb h TRP 112 Ca 0.04 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 3mwb h TRP 112 Cb 0.69 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.29 3mwb h TRP 112 CO 0.08 0.03 -0.17 0.00 -1.03 0.00 0.00 178.44 177.34 3mwb h ALA 113 N 1.46 1.47 -0.01 2.65 0.00 -1.31 -2.80 119.26 120.71 3mwb h ALA 113 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3mwb h ALA 113 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3mwb h ALA 113 CO -0.36 0.22 -0.16 1.04 0.00 0.00 0.00 179.25 179.98 3mwb n GLN 114 N -3.97 1.11 -0.01 0.00 6.02 -0.57 -3.98 117.38 115.97 3mwb n GLN 114 Ca -0.02 -0.64 0.01 0.00 -0.01 0.00 0.00 57.00 56.34 3mwb n GLN 114 Cb 0.26 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.05 3mwb n GLN 114 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mwb h ARG 116 N 0.00 0.06 -0.30 0.00 2.43 -1.68 -2.12 114.38 112.77 3mwb h ARG 116 Ca 0.00 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3mwb h ARG 116 Cb 0.56 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3mwb h ARG 116 CO 0.00 0.04 0.14 -0.07 -1.51 0.00 0.00 179.97 178.57 3mwb h LEU 117 N 0.06 0.20 0.06 3.80 3.38 -1.90 0.17 115.31 121.08 3mwb h LEU 117 Ca 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mwb h LEU 117 Cb 0.29 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3mwb h LEU 117 CO -0.36 0.15 -0.03 -0.25 0.09 0.00 0.00 178.44 178.05 3mwb h TRP 118 N 0.30 -0.07 -0.38 1.13 7.01 -1.72 -2.05 115.95 120.16 3mwb h TRP 118 Ca 0.13 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 3mwb h TRP 118 Cb 0.05 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 3mwb h TRP 118 CO -0.10 0.02 0.10 0.28 -2.79 0.00 0.00 178.44 175.95 3mwb h VAL 119 N -0.15 1.22 -0.36 2.65 2.07 -1.08 0.15 116.25 120.75 3mwb h VAL 119 Ca -0.01 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3mwb h VAL 119 Cb 0.13 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3mwb h VAL 119 CO 0.01 0.26 0.20 0.44 0.02 0.00 0.00 177.57 178.50 3mwb h ASP 120 N 0.47 0.43 0.00 0.57 5.19 -0.63 0.22 116.42 122.66 3mwb h ASP 120 Ca 0.12 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 3mwb h ASP 120 Cb 0.29 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 3mwb h ASP 120 CO -0.00 0.35 -0.14 -0.08 -3.12 0.00 0.00 179.24 176.25 3mwb h GLU 121 N 0.50 0.00 0.00 3.56 4.81 -1.05 -3.36 114.58 119.04 3mwb h GLU 121 Ca 0.13 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3mwb h GLU 121 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3mwb h GLU 121 CO -0.02 0.83 -1.24 0.45 -0.73 0.00 0.00 179.01 178.30 3mwb h HIS 122 N -1.00 0.00 -2.04 0.92 3.86 -0.61 -3.38 115.15 112.89 3mwb h HIS 122 Ca -0.04 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.65 3mwb h HIS 122 Cb 0.88 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.95 3mwb h HIS 122 CO 0.21 0.41 -1.07 1.28 0.86 0.00 0.00 177.93 179.62 3mwb n LEU 123 N -2.85 1.21 0.20 2.43 4.77 0.75 -4.97 117.00 118.54 3mwb n LEU 123 Ca -0.06 -5.01 0.14 0.00 -0.03 0.00 0.00 56.01 51.05 3mwb n LEU 123 Cb 0.75 0.46 0.60 0.00 -2.33 0.00 0.00 43.42 42.90 3mwb n LEU 123 CO 0.42 2.21 0.92 1.55 -1.33 0.00 0.00 177.39 181.16 3mwb h PRO 124 N 3.42 0.00 -0.00 3.23 0.13 -1.69 -1.91 132.00 135.17 3mwb h PRO 124 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3mwb h PRO 124 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3mwb h PRO 124 CO 0.54 0.00 -0.43 0.09 -0.23 0.00 0.00 178.00 177.98 3mwb n ASN 125 N -2.59 0.84 -4.71 1.44 3.02 -1.26 -4.91 115.26 107.08 3mwb n ASN 125 Ca 0.01 -0.64 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 3mwb n ASN 125 Cb 0.24 0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 3mwb n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mwb s ALA 126 N -2.76 3.19 0.25 5.41 0.00 -0.72 -4.84 121.76 122.30 3mwb s ALA 126 Ca 0.17 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.77 3mwb s ALA 126 Cb 0.18 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3mwb s ALA 126 CO 0.63 -0.24 0.31 -0.51 0.00 0.00 0.00 175.76 175.95 3mwb s ASP 127 N 0.94 6.01 -0.06 0.00 -0.00 -0.50 -4.96 116.67 118.10 3mwb s ASP 127 Ca 0.52 -0.07 -0.12 0.00 -0.00 0.00 0.00 52.55 52.89 3mwb s ASP 127 Cb -0.22 -1.64 -0.05 0.00 -0.00 0.00 0.00 42.92 41.01 3mwb s ASP 127 CO 0.28 -0.09 0.30 -0.47 -0.00 0.00 0.00 175.17 175.19 3mwb s TYR 128 N -2.05 3.65 -0.24 4.23 5.04 -1.26 -1.60 117.35 125.12 3mwb s TYR 128 Ca 0.35 0.78 0.02 0.00 -2.44 0.00 0.00 57.07 55.78 3mwb s TYR 128 Cb -0.09 -2.16 0.05 0.00 0.35 0.00 0.00 41.96 40.11 3mwb s TYR 128 CO 0.28 0.64 -0.11 0.08 -1.34 0.00 0.00 175.55 175.09 3mwb s VAL 129 N -0.90 2.01 0.26 3.14 1.01 0.07 -4.89 120.40 121.11 3mwb s VAL 129 Ca 0.20 -1.43 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 3mwb s VAL 129 Cb -0.15 -2.10 -0.12 0.00 0.00 0.00 0.00 36.38 34.01 3mwb s VAL 129 CO 0.09 0.05 1.60 -2.65 0.00 0.00 0.00 175.10 174.19 3mwb n PRO 130 N 4.51 2.58 -4.51 2.72 -0.02 -1.26 -3.12 135.00 135.90 3mwb n PRO 130 Ca -0.15 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 3mwb n PRO 130 Cb 0.44 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.14 3mwb n PRO 130 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3mwb s GLY 131 N 0.65 2.66 -0.14 -1.23 0.00 0.21 -4.81 107.32 104.67 3mwb s GLY 131 Ca 0.68 -1.47 0.11 0.00 0.00 0.00 0.00 44.72 44.05 3mwb s GLY 131 CO 0.44 -2.09 0.28 -1.14 0.00 0.00 0.00 173.10 170.59 3mwb n SER 132 N -1.20 0.84 -3.78 1.64 3.41 -1.26 -4.33 113.62 108.95 3mwb n SER 132 Ca -0.09 0.15 -0.10 0.00 -0.26 0.00 0.00 58.87 58.57 3mwb n SER 132 Cb 0.66 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.77 3mwb n SER 132 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mwb s SER 133 N -6.03 -0.16 0.25 4.04 1.04 -1.26 -4.87 113.70 106.70 3mwb s SER 133 Ca -0.13 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.72 3mwb s SER 133 Cb 0.07 0.51 0.31 0.00 0.10 0.00 0.00 66.02 67.02 3mwb s SER 133 CO 0.79 -0.96 1.76 0.71 0.98 0.00 0.00 173.24 176.52 3mwb h THR 134 N 2.34 1.24 -0.36 2.02 1.35 -1.87 -1.79 112.91 115.85 3mwb h THR 134 Ca -0.31 -0.97 -0.06 0.00 -0.55 0.00 0.00 66.41 64.53 3mwb h THR 134 Cb 1.25 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3mwb h THR 134 CO 0.43 0.35 0.00 0.00 -0.25 0.00 0.00 175.52 176.05 3mwb h ALA 135 N 1.25 0.48 -0.73 6.62 0.00 -1.86 -0.97 119.26 124.05 3mwb h ALA 135 Ca 0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3mwb h ALA 135 Cb 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3mwb h ALA 135 CO 0.01 0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.71 3mwb h ALA 136 N 0.87 0.99 -0.52 0.00 0.00 -1.87 -2.25 119.26 116.48 3mwb h ALA 136 Ca 0.10 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3mwb h ALA 136 Cb 0.45 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3mwb h ALA 136 CO 0.02 0.67 0.29 0.77 0.00 0.00 0.00 179.25 180.99 3mwb h SER 137 N 1.09 0.45 0.00 0.00 0.02 -1.13 -1.07 113.55 112.91 3mwb h SER 137 Ca 0.23 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3mwb h SER 137 Cb 0.33 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3mwb h SER 137 CO -0.00 0.31 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 3mwb n ALA 138 N -2.30 1.46 0.00 3.77 0.00 -0.39 -3.53 120.51 119.52 3mwb n ALA 138 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3mwb n ALA 138 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3mwb n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mwb n GLY 140 N 0.54 0.00 0.26 0.00 0.00 -0.41 -4.19 105.19 101.39 3mwb n GLY 140 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3mwb n GLY 140 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mwb h LEU 141 N 0.00 0.00 -0.54 0.99 3.38 -1.84 -2.86 115.31 114.43 3mwb h LEU 141 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mwb h LEU 141 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mwb h LEU 141 CO 0.00 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.79 3mwb n LEU 142 N -4.15 0.53 -4.75 1.67 4.77 -1.26 -4.61 117.00 109.20 3mwb n LEU 142 Ca -0.03 0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 56.18 3mwb n LEU 142 Cb 0.17 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 3mwb n LEU 142 CO 0.33 -0.49 0.57 -1.61 -1.33 0.00 0.00 177.39 174.86 3mwb s GLU 143 N -3.25 4.68 0.39 3.23 0.41 -1.08 -4.97 118.70 118.10 3mwb s GLU 143 Ca 0.05 1.31 0.12 0.00 -0.41 0.00 0.00 54.97 56.04 3mwb s GLU 143 Cb 0.09 -3.31 0.79 0.00 -1.78 0.00 0.00 34.13 29.93 3mwb s GLU 143 CO 0.37 0.44 1.89 0.38 -0.49 0.00 0.00 175.26 177.84 3mwb h ASP 144 N 4.73 0.09 -0.47 -0.19 3.04 -1.89 -2.97 116.42 118.76 3mwb h ASP 144 Ca -0.45 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 3mwb h ASP 144 Cb 1.20 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 3mwb h ASP 144 CO 0.69 0.35 0.00 -0.90 -2.04 0.00 0.00 179.24 177.33 3mwb n ASP 145 N -4.20 4.05 -4.66 4.15 3.85 -1.26 -5.01 116.55 113.47 3mwb n ASP 145 Ca -0.02 -2.48 -0.44 0.00 -0.71 0.00 0.00 54.79 51.14 3mwb n ASP 145 Cb 0.33 -0.56 -0.02 0.00 -1.35 0.00 0.00 41.12 39.52 3mwb n ASP 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mwb n ALA 146 N 0.67 0.81 0.44 2.12 0.00 -1.13 -4.86 120.51 118.57 3mwb n ALA 146 Ca 0.20 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 54.04 3mwb n ALA 146 Cb 0.81 -2.21 0.10 0.00 0.00 0.00 0.00 19.45 18.15 3mwb n ALA 146 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mwb n PRO 147 N 1.33 1.93 -3.96 0.00 -0.04 -1.26 -4.83 135.00 128.16 3mwb n PRO 147 Ca 0.09 -0.88 -0.09 0.00 -0.04 0.00 0.00 63.50 62.58 3mwb n PRO 147 Cb 0.32 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 3mwb n PRO 147 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mwb s TYR 148 N -1.36 0.30 -0.20 0.54 1.13 -1.26 -4.93 117.35 111.57 3mwb s TYR 148 Ca 0.16 -0.66 0.10 0.00 -1.41 0.00 0.00 57.07 55.25 3mwb s TYR 148 Cb 0.12 0.20 -0.14 0.00 -1.10 0.00 0.00 41.96 41.05 3mwb s TYR 148 CO 0.04 -0.97 0.30 0.39 -2.51 0.00 0.00 175.55 172.80 3mwb n GLU 149 N -0.36 1.74 -3.85 -3.49 4.71 -0.47 -4.95 120.64 113.95 3mwb n GLU 149 Ca -0.03 -0.05 -0.09 0.00 -0.01 0.00 0.00 57.16 56.97 3mwb n GLU 149 Cb 0.62 -1.12 -0.06 0.00 -1.01 0.00 0.00 31.44 29.86 3mwb n GLU 149 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mwb s ALA 150 N -2.38 -0.32 0.03 0.62 0.00 -1.11 -4.47 121.76 114.14 3mwb s ALA 150 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 3mwb s ALA 150 Cb 0.07 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3mwb s ALA 150 CO 0.41 -0.63 0.02 0.00 0.00 0.00 0.00 175.76 175.56 3mwb s ALA 151 N -3.90 0.13 -0.20 0.00 0.00 -0.29 -1.47 121.76 116.03 3mwb s ALA 151 Ca 0.10 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 3mwb s ALA 151 Cb 0.03 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3mwb s ALA 151 CO -0.05 -0.26 0.09 0.42 0.00 0.00 0.00 175.76 175.95 3mwb s ILE 152 N -2.38 4.91 0.21 0.00 1.01 -1.08 -0.78 121.20 123.08 3mwb s ILE 152 Ca -0.07 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 3mwb s ILE 152 Cb -0.03 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.23 3mwb s ILE 152 CO -0.04 0.43 0.38 0.00 0.00 0.00 0.00 174.94 175.71 3mwb s ALA 154 N -1.78 3.14 0.55 0.00 0.00 -1.26 -1.42 121.76 120.98 3mwb s ALA 154 Ca 0.11 0.29 0.25 0.00 0.00 0.00 0.00 51.96 52.61 3mwb s ALA 154 Cb -0.02 -3.03 1.46 0.00 0.00 0.00 0.00 23.12 21.53 3mwb s ALA 154 CO 0.08 0.20 2.04 -1.35 0.00 0.00 0.00 175.76 176.72 3mwb h PRO 155 N 2.08 0.00 0.03 0.00 0.11 -1.94 -2.99 132.00 129.29 3mwb h PRO 155 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3mwb h PRO 155 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3mwb h PRO 155 CO 0.62 0.00 -0.24 1.25 -0.21 0.00 0.00 178.00 179.42 3mwb h LEU 156 N 0.00 -0.72 -0.98 2.35 5.85 -1.93 -1.92 115.31 117.97 3mwb h LEU 156 Ca 0.16 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 3mwb h LEU 156 Cb 0.73 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3mwb h LEU 156 CO -0.00 -0.32 0.32 -0.29 -0.34 0.00 0.00 178.44 177.81 3mwb h ILE 157 N -0.40 1.24 -0.78 4.05 -0.00 -1.68 -0.54 117.51 119.40 3mwb h ILE 157 Ca 0.05 -0.71 -0.04 0.00 -0.00 0.00 0.00 64.86 64.17 3mwb h ILE 157 Cb 0.47 0.34 -0.04 0.00 -0.00 0.00 0.00 36.82 37.59 3mwb h ILE 157 CO -0.20 0.29 0.33 0.00 -0.00 0.00 0.00 178.15 178.58 3mwb h ALA 158 N 1.31 1.11 0.00 0.18 0.00 -1.41 -2.02 119.26 118.42 3mwb h ALA 158 Ca 0.25 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3mwb h ALA 158 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3mwb h ALA 158 CO -0.03 0.65 -1.14 0.00 0.00 0.00 0.00 179.25 178.73 3mwb h ALA 159 N 1.23 0.47 -0.23 0.00 0.00 -0.95 -3.28 119.26 116.50 3mwb h ALA 159 Ca 0.26 -1.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 3mwb h ALA 159 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3mwb h ALA 159 CO -0.03 1.29 -0.28 0.93 0.00 0.00 0.00 179.25 181.16 3mwb h GLU 160 N 0.00 0.44 -4.50 0.00 5.08 -1.02 -3.43 114.58 111.16 3mwb h GLU 160 Ca -0.07 -0.18 -0.71 0.00 -1.00 0.00 0.00 59.36 57.40 3mwb h GLU 160 Cb 1.80 -0.02 -0.27 0.00 0.50 0.00 0.00 28.75 30.76 3mwb h GLU 160 CO 0.11 0.69 -0.48 -0.65 -1.00 0.00 0.00 179.01 177.68 3mwb s GLN 161 N -4.43 2.67 0.60 2.33 -1.52 -0.77 -4.94 119.66 113.60 3mwb s GLN 161 Ca -0.06 -1.35 0.39 0.00 -1.95 0.00 0.00 55.36 52.39 3mwb s GLN 161 Cb 0.14 -3.76 1.96 0.00 -0.22 0.00 0.00 33.01 31.13 3mwb s GLN 161 CO 0.79 -0.88 2.18 -1.00 -0.25 0.00 0.00 175.29 176.14 3mwb h PRO 162 N 8.41 0.00 -0.07 2.91 0.13 -1.84 -1.29 132.00 140.26 3mwb h PRO 162 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3mwb h PRO 162 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mwb h PRO 162 CO 0.73 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 3mwb n GLY 163 N -0.67 -0.07 3.35 1.56 0.00 -1.26 -4.77 105.19 103.34 3mwb n GLY 163 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3mwb n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mwb s LEU 164 N -1.82 2.77 -0.15 0.99 1.43 -0.49 -4.34 118.68 117.07 3mwb s LEU 164 Ca 0.36 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 3mwb s LEU 164 Cb 0.19 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3mwb s LEU 164 CO 0.31 0.11 0.05 0.20 0.23 0.00 0.00 176.35 177.25 3mwb s ASN 165 N 0.69 5.60 -0.06 2.29 -0.87 0.96 -4.90 114.94 118.65 3mwb s ASN 165 Ca -0.05 0.14 -0.30 0.00 -1.57 0.00 0.00 52.86 51.08 3mwb s ASN 165 Cb -0.15 -1.86 -0.03 0.00 -0.02 0.00 0.00 41.25 39.18 3mwb s ASN 165 CO 0.02 0.25 1.22 -0.69 -2.57 0.00 0.00 177.10 175.34 3mwb s VAL 166 N -0.09 4.21 -0.03 1.60 1.01 -1.26 -1.05 120.40 124.78 3mwb s VAL 166 Ca 0.06 1.54 0.19 0.00 0.00 0.00 0.00 61.98 63.77 3mwb s VAL 166 Cb -0.12 -3.99 -0.29 0.00 0.00 0.00 0.00 36.38 31.98 3mwb s VAL 166 CO 0.01 -0.02 0.40 0.18 0.00 0.00 0.00 175.10 175.68 3mwb n LEU 167 N 5.39 0.00 -3.65 3.92 4.77 0.10 -4.96 117.00 122.57 3mwb n LEU 167 Ca 0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 3mwb n LEU 167 Cb 0.46 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 3mwb n LEU 167 CO 0.56 0.02 0.24 0.00 -1.33 0.00 0.00 177.39 176.88 3mwb s ALA 168 N -3.29 -1.33 0.14 -1.18 0.00 -1.14 -4.98 121.76 109.99 3mwb s ALA 168 Ca -0.07 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.04 3mwb s ALA 168 Cb 0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3mwb s ALA 168 CO 0.79 -0.30 -0.15 -1.83 0.00 0.00 0.00 175.76 174.27 3mwb s GLU 169 N -0.74 1.12 -1.18 0.00 -1.05 -1.26 -0.70 118.70 114.89 3mwb s GLU 169 Ca -0.08 -1.33 -0.10 0.00 -0.15 0.00 0.00 54.97 53.31 3mwb s GLU 169 Cb -0.03 -1.02 -0.02 0.00 -0.44 0.00 0.00 34.13 32.62 3mwb s GLU 169 CO 0.05 0.19 0.77 -3.47 0.95 0.00 0.00 175.26 173.76 3mwb n ASP 170 N 0.35 -4.06 -1.01 0.83 2.03 0.65 -4.89 116.55 110.44 3mwb n ASP 170 Ca -0.14 -0.89 0.12 0.00 0.52 0.00 0.00 54.79 54.40 3mwb n ASP 170 Cb 0.57 -3.96 0.21 0.00 -0.72 0.00 0.00 41.12 37.23 3mwb n ASP 170 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3mwb n ILE 171 N -4.02 0.30 -1.90 5.18 -5.35 -0.94 -4.91 119.36 107.71 3mwb n ILE 171 Ca -0.16 -0.61 -0.40 0.00 -0.27 0.00 0.00 62.75 61.30 3mwb n ILE 171 Cb 0.63 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3mwb n ILE 171 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mwb s GLY 172 N -1.68 2.94 0.27 3.28 0.00 -1.26 -4.42 107.32 106.45 3mwb s GLY 172 Ca 0.35 1.41 -0.00 0.00 0.00 0.00 0.00 44.72 46.48 3mwb s GLY 172 CO 0.31 2.05 1.80 -0.55 0.00 0.00 0.00 173.10 176.71 3mwb h ASP 173 N 2.74 0.75 -3.66 1.64 5.19 -0.08 -3.39 116.42 119.61 3mwb h ASP 173 Ca -0.50 0.06 -0.68 0.00 -0.62 0.00 0.00 57.03 55.29 3mwb h ASP 173 Cb 1.25 -0.08 -0.31 0.00 0.18 0.00 0.00 39.33 40.37 3mwb h ASP 173 CO 0.63 0.37 -0.69 0.21 -3.12 0.00 0.00 179.24 176.64 3mwb s ASN 174 N -5.57 4.82 0.52 6.45 2.47 -1.26 -4.98 114.94 117.39 3mwb s ASN 174 Ca -0.12 -1.07 0.30 0.00 0.42 0.00 0.00 52.86 52.39 3mwb s ASN 174 Cb 0.22 -1.74 1.40 0.00 -1.45 0.00 0.00 41.25 39.67 3mwb s ASN 174 CO 0.79 -0.22 2.02 1.55 -3.72 0.00 0.00 177.10 177.52 3mwb h PRO 175 N 8.06 0.00 -0.54 0.43 0.13 -1.92 -2.60 132.00 135.57 3mwb h PRO 175 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3mwb h PRO 175 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3mwb h PRO 175 CO 0.56 0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 3mwb n ASP 176 N -3.37 3.36 -4.68 1.44 8.00 -1.26 -4.84 116.55 115.20 3mwb n ASP 176 Ca -0.01 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 3mwb n ASP 176 Cb 0.29 -0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3mwb n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mwb n ALA 177 N 1.36 1.05 -2.92 2.24 0.00 -0.98 -4.88 120.51 116.38 3mwb n ALA 177 Ca 0.21 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 3mwb n ALA 177 Cb 0.55 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.65 3mwb n ALA 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mwb s VAL 178 N -1.25 0.20 -0.11 0.00 -7.23 -1.26 -1.16 120.40 109.60 3mwb s VAL 178 Ca 0.64 -0.73 -0.04 0.00 -1.81 0.00 0.00 61.98 60.04 3mwb s VAL 178 Cb -0.50 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 3mwb s VAL 178 CO 0.56 -0.34 0.03 -0.89 -0.31 0.00 0.00 175.10 174.15 3mwb s THR 179 N -1.09 4.58 -0.16 5.32 2.01 -0.68 -4.70 115.64 120.92 3mwb s THR 179 Ca -0.11 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 3mwb s THR 179 Cb -0.08 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3mwb s THR 179 CO -0.00 0.59 0.12 -0.60 -0.69 0.00 0.00 174.62 174.03 3mwb s ARG 180 N -0.71 3.81 0.18 4.92 3.52 -0.20 -0.48 118.95 130.00 3mwb s ARG 180 Ca 0.12 -0.21 0.09 0.00 -0.13 0.00 0.00 55.73 55.60 3mwb s ARG 180 Cb -0.12 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 3mwb s ARG 180 CO 0.02 0.50 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.76 3mwb s PHE 181 N -0.24 1.95 0.05 5.12 0.40 0.43 -0.28 117.98 125.40 3mwb s PHE 181 Ca 0.10 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 3mwb s PHE 181 Cb -0.12 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.43 3mwb s PHE 181 CO 0.01 0.40 -0.18 0.96 0.70 0.00 0.00 175.22 177.10 3mwb s ILE 182 N -2.04 1.48 -0.25 0.64 -4.36 0.13 -1.32 121.20 115.47 3mwb s ILE 182 Ca 0.18 -1.16 -0.09 0.00 -0.26 0.00 0.00 60.65 59.32 3mwb s ILE 182 Cb -0.06 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 3mwb s ILE 182 CO 0.08 0.11 0.11 -0.22 0.24 0.00 0.00 174.94 175.26 3mwb s LEU 183 N -1.23 3.70 -0.16 0.37 2.96 0.98 -1.67 118.68 123.63 3mwb s LEU 183 Ca 0.05 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3mwb s LEU 183 Cb -0.09 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 3mwb s LEU 183 CO 0.02 -0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.19 3mwb s VAL 184 N 1.52 2.66 0.42 1.68 1.01 -0.04 -1.24 120.40 126.42 3mwb s VAL 184 Ca 0.06 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3mwb s VAL 184 Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3mwb s VAL 184 CO 0.06 0.51 0.07 -0.94 0.00 0.00 0.00 175.10 174.80 3mwb s SER 185 N 0.83 3.20 0.78 3.32 1.04 -0.34 -0.72 113.70 121.82 3mwb s SER 185 Ca -0.05 -1.58 -0.11 0.00 0.48 0.00 0.00 55.95 54.69 3mwb s SER 185 Cb -0.15 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.35 3mwb s SER 185 CO -0.00 -0.80 1.11 -0.13 0.98 0.00 0.00 173.24 174.39 3mwb s ARG 186 N -3.79 2.09 0.28 4.02 0.52 -1.26 -1.37 118.95 119.44 3mwb s ARG 186 Ca 0.22 1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 56.40 3mwb s ARG 186 Cb 0.04 -1.87 -0.11 0.00 0.52 0.00 0.00 34.95 33.53 3mwb s ARG 186 CO 0.12 -1.78 1.57 -2.14 0.02 0.00 0.00 175.30 173.09 3mwb s PRO 187 N -4.75 4.14 0.00 3.54 0.02 -1.26 -4.66 135.00 132.03 3mwb s PRO 187 Ca 0.63 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.19 3mwb s PRO 187 Cb -0.19 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3mwb s PRO 187 CO 0.55 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 3mwb n GLY 188 N 2.22 5.25 3.83 0.52 0.00 -1.26 -5.09 105.19 110.67 3mwb n GLY 188 Ca 0.08 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3mwb n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb s ALA 189 N -1.79 3.02 0.18 4.61 0.00 -1.26 -5.01 121.76 121.51 3mwb s ALA 189 Ca 0.00 0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 3mwb s ALA 189 Cb 0.00 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3mwb s ALA 189 CO 0.00 -0.13 1.51 -0.51 0.00 0.00 0.00 175.76 176.62 3mwb s LEU 190 N -3.72 4.37 0.58 0.00 1.43 -1.26 -4.97 118.68 115.11 3mwb s LEU 190 Ca 0.61 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 56.10 3mwb s LEU 190 Cb -0.10 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 3mwb s LEU 190 CO 0.24 -0.76 0.92 -2.65 0.23 0.00 0.00 176.35 174.32 3mwb n PRO 191 N 3.55 0.91 -1.88 1.29 -0.02 -1.26 -4.88 135.00 132.71 3mwb n PRO 191 Ca 0.12 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 3mwb n PRO 191 Cb 0.40 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 3mwb n PRO 191 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3mwb s GLU 192 N -2.59 3.83 0.24 -0.52 0.41 -1.26 -4.90 118.70 113.92 3mwb s GLU 192 Ca 0.73 2.36 -0.30 0.00 -0.41 0.00 0.00 54.97 57.35 3mwb s GLU 192 Cb -0.43 -2.73 -0.10 0.00 -1.78 0.00 0.00 34.13 29.08 3mwb s GLU 192 CO 0.49 -0.68 1.43 0.50 -0.49 0.00 0.00 175.26 176.52 3mwb s ARG 193 N -2.33 4.27 -0.02 1.61 3.52 -1.26 -4.82 118.95 119.91 3mwb s ARG 193 Ca 0.59 2.28 0.12 0.00 -0.13 0.00 0.00 55.73 58.59 3mwb s ARG 193 Cb -0.42 -3.12 -0.18 0.00 -1.56 0.00 0.00 34.95 29.67 3mwb s ARG 193 CO 0.55 -0.42 0.25 0.25 -0.81 0.00 0.00 175.30 175.12 3mwb n THR 194 N 2.42 0.06 0.00 4.11 -2.24 -1.26 -5.00 114.28 112.37 3mwb n THR 194 Ca 0.07 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3mwb n THR 194 Cb 0.40 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3mwb n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mwb n GLY 195 N 1.86 0.61 2.62 3.38 0.00 -1.26 -4.95 105.19 107.45 3mwb n GLY 195 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3mwb n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb s ALA 196 N -2.17 2.03 0.22 4.61 0.00 -1.26 -3.33 121.76 121.85 3mwb s ALA 196 Ca 0.00 -2.63 0.05 0.00 0.00 0.00 0.00 51.96 49.37 3mwb s ALA 196 Cb 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 3mwb s ALA 196 CO 0.00 -2.05 -0.05 -0.51 0.00 0.00 0.00 175.76 173.14 3mwb s ASP 197 N 0.12 2.07 0.04 0.00 1.01 -1.26 -0.89 116.67 117.77 3mwb s ASP 197 Ca 0.23 -1.14 0.03 0.00 0.71 0.00 0.00 52.55 52.38 3mwb s ASP 197 Cb -0.14 -0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.72 3mwb s ASP 197 CO -0.07 -0.40 -0.10 -0.75 0.21 0.00 0.00 175.17 174.06 3mwb s LYS 198 N -3.78 0.66 -0.02 8.23 2.20 0.54 -0.00 119.74 127.56 3mwb s LYS 198 Ca 0.25 -0.73 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3mwb s LYS 198 Cb 0.04 -0.56 -0.00 0.00 -1.51 0.00 0.00 37.83 35.80 3mwb s LYS 198 CO 0.07 0.12 -0.10 0.99 -0.36 0.00 0.00 175.35 176.07 3mwb s THR 199 N -1.10 0.86 -0.03 3.43 2.01 0.82 -1.04 115.64 120.60 3mwb s THR 199 Ca -0.04 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.61 3mwb s THR 199 Cb -0.09 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 3mwb s THR 199 CO 0.01 0.26 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.06 3mwb s THR 200 N 0.07 2.02 0.06 -0.82 2.01 -0.86 0.84 115.64 118.97 3mwb s THR 200 Ca -0.01 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 60.91 3mwb s THR 200 Cb -0.08 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3mwb s THR 200 CO 0.00 0.57 -0.05 0.68 -0.69 0.00 0.00 174.62 175.14 3mwb s VAL 201 N -0.46 0.42 -0.18 3.82 -7.23 -0.56 -0.59 120.40 115.62 3mwb s VAL 201 Ca 0.06 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 3mwb s VAL 201 Cb -0.11 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.50 3mwb s VAL 201 CO 0.00 -0.84 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.11 3mwb s VAL 202 N -3.31 1.85 -0.31 1.32 1.01 -0.33 -1.08 120.40 119.55 3mwb s VAL 202 Ca 0.05 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 3mwb s VAL 202 Cb 0.03 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3mwb s VAL 202 CO -0.06 0.39 0.07 -0.69 0.00 0.00 0.00 175.10 174.81 3mwb s VAL 203 N 1.35 3.75 0.36 2.92 1.01 0.01 -0.78 120.40 129.01 3mwb s VAL 203 Ca 0.02 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 3mwb s VAL 203 Cb -0.14 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 3mwb s VAL 203 CO -0.11 -0.02 1.12 -2.84 0.00 0.00 0.00 175.10 173.26 3mwb s PRO 204 N 1.44 4.29 -0.40 2.72 0.02 -1.26 -0.82 135.00 140.99 3mwb s PRO 204 Ca 0.00 1.77 -0.25 0.00 0.02 0.00 0.00 61.00 62.54 3mwb s PRO 204 Cb -0.18 -2.83 0.02 0.00 0.02 0.00 0.00 34.50 31.52 3mwb s PRO 204 CO 0.02 -0.09 0.88 -1.17 -0.33 0.00 0.00 177.00 176.31 3mwb s LEU 205 N -2.14 4.05 0.12 -5.54 2.96 -0.10 -4.84 118.68 113.18 3mwb s LEU 205 Ca 0.53 0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 54.66 3mwb s LEU 205 Cb -0.29 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 3mwb s LEU 205 CO 0.37 -0.88 1.51 -0.65 -1.32 0.00 0.00 176.35 175.39 3mwb h PRO 206 N 8.67 0.78 -3.62 0.98 0.11 -1.89 0.13 132.00 137.16 3mwb h PRO 206 Ca -0.24 -0.33 -0.25 0.00 0.11 0.00 0.00 66.00 65.30 3mwb h PRO 206 Cb 1.08 -0.03 -0.30 0.00 0.11 0.00 0.00 31.00 31.86 3mwb h PRO 206 CO 0.97 0.95 -0.70 -1.21 -0.21 0.00 0.00 178.00 177.80 3mwb s GLU 207 N -4.69 0.01 -0.37 1.05 2.02 -1.26 -2.05 118.70 113.41 3mwb s GLU 207 Ca -0.12 0.09 -0.18 0.00 0.02 0.00 0.00 54.97 54.77 3mwb s GLU 207 Cb 0.10 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.26 3mwb s GLU 207 CO 0.83 -0.06 0.53 0.34 0.02 0.00 0.00 175.26 176.91 3mwb s ASP 208 N 0.37 6.30 0.13 -0.19 2.15 -1.26 -4.85 116.67 119.32 3mwb s ASP 208 Ca -0.03 -0.15 -0.24 0.00 0.43 0.00 0.00 52.55 52.56 3mwb s ASP 208 Cb -0.04 -2.27 0.08 0.00 -0.30 0.00 0.00 42.92 40.38 3mwb s ASP 208 CO -0.01 -0.54 0.65 -1.38 -0.17 0.00 0.00 175.17 173.72 3mwb s HIS 209 N 2.43 -0.51 0.28 -5.34 -3.43 -1.26 -5.09 115.29 102.38 3mwb s HIS 209 Ca 0.19 0.34 -0.30 0.00 -0.80 0.00 0.00 55.06 54.48 3mwb s HIS 209 Cb -0.15 0.55 -0.13 0.00 -1.43 0.00 0.00 32.58 31.42 3mwb s HIS 209 CO 0.14 -0.79 1.44 -2.30 -2.00 0.00 0.00 174.74 171.23 3mwb n PRO 210 N -0.31 2.27 -0.93 -0.38 -0.02 -1.26 -2.00 135.00 132.36 3mwb n PRO 210 Ca -0.16 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3mwb n PRO 210 Cb 0.64 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3mwb n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwb n GLY 211 N 1.76 0.85 0.19 -1.23 0.00 -1.26 -4.93 105.19 100.57 3mwb n GLY 211 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3mwb n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb h ALA 212 N 0.00 0.39 0.00 4.61 0.00 -1.73 -2.26 119.26 120.27 3mwb h ALA 212 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mwb h ALA 212 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mwb h ALA 212 CO 0.00 0.31 0.00 -0.11 0.00 0.00 0.00 179.25 179.45 3mwb n LEU 213 N -4.39 0.54 0.00 0.00 7.94 -1.26 -2.91 117.00 116.92 3mwb n LEU 213 Ca -0.04 -0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 3mwb n LEU 213 Cb 0.39 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.24 3mwb n LEU 213 CO 0.42 0.10 0.00 1.21 -1.11 0.00 0.00 177.39 178.01 3mwb n GLU 215 N 1.26 0.00 0.07 1.96 2.13 -0.85 -0.44 120.64 124.76 3mwb n GLU 215 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 3mwb n GLU 215 Cb 0.07 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.70 3mwb n GLU 215 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3mwb h ILE 216 N 0.00 0.98 -0.99 6.31 2.04 -1.83 -3.21 117.51 120.81 3mwb h ILE 216 Ca 0.00 -0.91 0.19 0.00 1.00 0.00 0.00 64.86 65.14 3mwb h ILE 216 Cb 0.00 1.51 -0.11 0.00 -0.74 0.00 0.00 36.82 37.49 3mwb h ILE 216 CO 0.00 0.20 0.59 -0.07 0.00 0.00 0.00 178.15 178.87 3mwb h LEU 217 N -0.67 0.75 -1.76 1.44 3.38 -1.06 -2.55 115.31 114.84 3mwb h LEU 217 Ca -0.02 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3mwb h LEU 217 Cb 0.49 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3mwb h LEU 217 CO 0.03 0.26 0.27 -0.78 0.09 0.00 0.00 178.44 178.32 3mwb h ASP 218 N 0.74 0.26 -0.67 -0.43 3.58 -1.79 -1.63 116.42 116.48 3mwb h ASP 218 Ca 0.57 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 58.06 3mwb h ASP 218 Cb 0.88 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.84 3mwb h ASP 218 CO -0.39 0.17 0.44 1.56 -2.88 0.00 0.00 179.24 178.15 3mwb h GLN 219 N 0.29 0.75 0.01 0.28 1.08 -1.51 0.18 115.11 116.20 3mwb h GLN 219 Ca 0.17 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3mwb h GLN 219 Cb 0.32 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3mwb h GLN 219 CO -0.04 0.50 -0.01 0.74 -0.95 0.00 0.00 178.83 179.08 3mwb h PHE 220 N 0.77 -0.01 -0.63 2.96 0.04 -1.56 -3.38 116.94 115.13 3mwb h PHE 220 Ca 0.27 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.02 3mwb h PHE 220 Cb 0.11 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 3mwb h PHE 220 CO -0.00 0.71 0.32 0.00 -0.60 0.00 0.00 178.31 178.74 3mwb h ALA 221 N -0.21 0.80 0.00 2.45 0.00 -0.94 -1.35 119.26 120.01 3mwb h ALA 221 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3mwb h ALA 221 Cb 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mwb h ALA 221 CO 0.00 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 3mwb n SER 222 N -4.53 0.00 -0.21 0.00 3.41 0.58 -2.00 113.62 110.88 3mwb n SER 222 Ca 0.04 0.36 0.04 0.00 -0.26 0.00 0.00 58.87 59.05 3mwb n SER 222 Cb 0.11 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 63.71 3mwb n SER 222 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mwb n ARG 223 N -1.42 2.62 -1.77 4.33 1.74 -0.60 -4.99 116.66 116.56 3mwb n ARG 223 Ca 0.04 -1.93 -0.06 0.00 -0.77 0.00 0.00 57.85 55.13 3mwb n ARG 223 Cb 0.12 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 3mwb n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mwb n GLY 224 N -0.50 0.39 3.33 -0.13 0.00 -0.85 -4.88 105.19 102.54 3mwb n GLY 224 Ca 0.07 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 3mwb n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwb s VAL 225 N -2.28 4.08 0.46 1.61 1.01 -0.66 -4.82 120.40 119.81 3mwb s VAL 225 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 3mwb s VAL 225 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 3mwb s VAL 225 CO 0.00 -0.12 1.04 0.21 0.00 0.00 0.00 175.10 176.23 3mwb s ASN 226 N 1.48 6.48 0.06 3.32 2.47 -1.26 -4.10 114.94 123.38 3mwb s ASN 226 Ca 0.01 1.96 0.06 0.00 0.42 0.00 0.00 52.86 55.30 3mwb s ASN 226 Cb -0.19 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.01 3mwb s ASN 226 CO 0.04 -0.69 -0.12 -0.76 -3.72 0.00 0.00 177.10 171.86 3mwb s LEU 227 N -3.23 2.94 -0.00 3.21 1.43 -1.26 -0.45 118.68 121.31 3mwb s LEU 227 Ca 0.64 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3mwb s LEU 227 Cb -0.18 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3mwb s LEU 227 CO 0.22 0.23 0.06 -1.54 0.23 0.00 0.00 176.35 175.55 3mwb n SER 228 N 1.18 0.25 -3.68 2.29 3.41 -0.22 -4.92 113.62 111.94 3mwb n SER 228 Ca -0.15 -0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 57.84 3mwb n SER 228 Cb 0.52 1.00 -0.09 0.00 -0.26 0.00 0.00 64.21 65.39 3mwb n SER 228 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3mwb s ARG 229 N -1.18 0.58 -0.03 4.33 3.52 -1.21 -4.94 118.95 120.01 3mwb s ARG 229 Ca 0.01 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.46 3mwb s ARG 229 Cb 0.01 0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 3mwb s ARG 229 CO 0.06 -0.12 0.06 -1.50 -0.81 0.00 0.00 175.30 172.99 3mwb s ILE 230 N 0.90 -0.03 -0.04 4.11 2.07 -1.26 -1.58 121.20 125.37 3mwb s ILE 230 Ca -0.05 0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 3mwb s ILE 230 Cb -0.05 -0.10 0.03 0.00 0.13 0.00 0.00 42.46 42.46 3mwb s ILE 230 CO -0.08 0.05 0.08 -0.70 -1.91 0.00 0.00 174.94 172.38 3mwb s GLU 231 N 0.62 0.03 0.12 3.50 2.12 -0.43 -4.98 118.70 119.68 3mwb s GLU 231 Ca -0.05 0.25 -0.14 0.00 0.36 0.00 0.00 54.97 55.39 3mwb s GLU 231 Cb -0.07 -0.18 -0.07 0.00 0.26 0.00 0.00 34.13 34.07 3mwb s GLU 231 CO -0.02 -0.15 0.52 -1.54 -0.54 0.00 0.00 175.26 173.53 3mwb s SER 232 N 0.98 6.80 -0.05 -1.70 1.04 -1.26 -0.28 113.70 119.22 3mwb s SER 232 Ca -0.08 1.03 -0.00 0.00 0.48 0.00 0.00 55.95 57.38 3mwb s SER 232 Cb -0.11 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.77 3mwb s SER 232 CO -0.04 0.13 -0.00 -0.13 0.98 0.00 0.00 173.24 174.18 3mwb s ARG 233 N -1.87 0.47 0.44 4.02 0.52 0.28 -4.99 118.95 117.81 3mwb s ARG 233 Ca 0.36 0.08 -0.25 0.00 -0.52 0.00 0.00 55.73 55.40 3mwb s ARG 233 Cb -0.15 -0.72 -0.08 0.00 0.52 0.00 0.00 34.95 34.52 3mwb s ARG 233 CO 0.19 -0.20 1.32 -2.14 0.02 0.00 0.00 175.30 174.48 3mwb s PRO 234 N 1.43 3.80 0.00 3.54 0.02 -1.26 -1.34 135.00 141.19 3mwb s PRO 234 Ca -0.04 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3mwb s PRO 234 Cb -0.13 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.75 3mwb s PRO 234 CO -0.03 -0.64 0.00 -2.37 -0.33 0.00 0.00 177.00 173.63 3mwb n THR 235 N -0.13 0.00 -4.30 0.99 5.66 -0.44 -4.87 114.28 111.19 3mwb n THR 235 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 3mwb n THR 235 Cb 0.44 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 3mwb n THR 235 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mwb n LEU 239 N 0.00 0.00 0.00 1.09 -0.00 -1.26 -4.98 117.00 111.85 3mwb n LEU 239 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 3mwb n LEU 239 Cb 0.00 0.00 0.68 0.00 -0.00 0.00 0.00 43.42 44.10 3mwb n LEU 239 CO 0.00 -0.44 0.93 0.61 -0.00 0.00 0.00 177.39 178.49 3mwb n GLY 240 N 0.00 -1.03 2.12 1.47 0.00 0.45 -4.83 105.19 103.37 3mwb n GLY 240 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 3mwb n GLY 240 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3mwb n HIS 241 N -1.20 0.00 -3.99 1.61 -0.00 -1.26 -4.50 115.22 105.89 3mwb n HIS 241 Ca 0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.77 3mwb n HIS 241 Cb 0.17 -0.96 -0.10 0.00 -0.00 0.00 0.00 29.99 29.09 3mwb n HIS 241 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3mwb s TYR 242 N -2.10 0.29 0.08 1.57 2.02 -1.26 -1.33 117.35 116.61 3mwb s TYR 242 Ca 0.00 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.16 3mwb s TYR 242 Cb 0.00 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 3mwb s TYR 242 CO 0.00 -0.26 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.56 3mwb s PHE 243 N -2.09 2.74 -0.23 2.71 0.08 -0.45 -0.93 117.98 119.81 3mwb s PHE 243 Ca -0.10 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 3mwb s PHE 243 Cb -0.05 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3mwb s PHE 243 CO -0.03 0.39 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.36 3mwb s PHE 244 N -1.13 2.99 -0.24 0.36 0.08 -0.00 -0.56 117.98 119.47 3mwb s PHE 244 Ca 0.20 -1.24 -0.15 0.00 0.12 0.00 0.00 56.93 55.85 3mwb s PHE 244 Cb -0.11 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3mwb s PHE 244 CO 0.11 -0.65 0.39 0.45 -0.10 0.00 0.00 175.22 175.43 3mwb s SER 245 N 1.40 6.33 -0.05 1.36 0.15 0.61 -0.81 113.70 122.70 3mwb s SER 245 Ca 0.04 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.09 3mwb s SER 245 Cb -0.15 -2.22 0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3mwb s SER 245 CO -0.05 -0.15 -0.06 -0.63 1.20 0.00 0.00 173.24 173.56 3mwb s ILE 246 N 1.79 0.65 -0.19 6.45 1.01 -0.24 -1.32 121.20 129.34 3mwb s ILE 246 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 3mwb s ILE 246 Cb -0.15 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3mwb s ILE 246 CO 0.09 0.24 0.05 -1.81 0.00 0.00 0.00 174.94 173.52 3mwb s ASP 247 N 0.80 5.47 0.15 3.58 1.01 -0.62 -1.49 116.67 125.58 3mwb s ASP 247 Ca -0.12 0.02 0.10 0.00 0.71 0.00 0.00 52.55 53.26 3mwb s ASP 247 Cb -0.14 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 3mwb s ASP 247 CO 0.01 0.14 -0.21 0.00 0.21 0.00 0.00 175.17 175.32 3mwb s ALA 248 N 0.56 2.59 0.11 5.23 0.00 0.25 -1.05 121.76 129.44 3mwb s ALA 248 Ca 0.03 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 3mwb s ALA 248 Cb -0.13 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 3mwb s ALA 248 CO 0.01 0.51 1.00 -0.51 0.00 0.00 0.00 175.76 176.77 3mwb s ASP 249 N -2.37 7.43 0.00 0.00 1.11 0.40 -0.12 116.67 123.11 3mwb s ASP 249 Ca 0.19 1.83 0.00 0.00 0.18 0.00 0.00 52.55 54.75 3mwb s ASP 249 Cb -0.09 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.31 3mwb s ASP 249 CO 0.10 -0.13 0.00 0.61 1.18 0.00 0.00 175.17 176.93 3mwb n GLY 250 N 2.34 1.44 3.26 0.21 0.00 1.00 -4.57 105.19 108.87 3mwb n GLY 250 Ca 0.03 -2.21 -0.25 0.00 0.00 0.00 0.00 46.02 43.58 3mwb n GLY 250 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mwb s HIS 251 N -1.43 1.84 0.61 1.61 2.46 -1.26 -2.54 115.29 116.58 3mwb s HIS 251 Ca 0.00 -0.38 0.30 0.00 0.47 0.00 0.00 55.06 55.44 3mwb s HIS 251 Cb 0.00 -1.08 1.63 0.00 -0.13 0.00 0.00 32.58 33.00 3mwb s HIS 251 CO 0.00 0.12 2.00 0.00 -2.47 0.00 0.00 174.74 174.39 3mwb h ALA 252 N 4.71 1.78 0.00 1.58 0.00 -1.92 0.53 119.26 125.95 3mwb h ALA 252 Ca -0.43 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3mwb h ALA 252 Cb 1.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3mwb h ALA 252 CO 0.43 -0.43 -0.46 1.15 0.00 0.00 0.00 179.25 179.94 3mwb h THR 253 N 0.00 1.00 -3.10 0.00 2.02 -1.95 -3.21 112.91 107.66 3mwb h THR 253 Ca 0.11 -1.79 -0.53 0.00 0.77 0.00 0.00 66.41 64.97 3mwb h THR 253 Cb 0.74 2.07 0.05 0.00 -1.74 0.00 0.00 68.15 69.27 3mwb h THR 253 CO -0.00 0.45 0.80 -1.81 0.37 0.00 0.00 175.52 175.32 3mwb s ASP 254 N -6.51 6.66 0.25 4.18 1.01 0.18 -4.86 116.67 117.57 3mwb s ASP 254 Ca 0.00 2.59 -0.04 0.00 0.71 0.00 0.00 52.55 55.81 3mwb s ASP 254 Cb 0.11 -2.61 0.43 0.00 1.01 0.00 0.00 42.92 41.86 3mwb s ASP 254 CO 0.71 -0.74 1.78 0.28 0.21 0.00 0.00 175.17 177.41 3mwb h SER 255 N 6.03 0.53 -0.17 0.27 0.02 -1.87 -0.09 113.55 118.27 3mwb h SER 255 Ca -0.44 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 3mwb h SER 255 Cb 1.21 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3mwb h SER 255 CO 0.85 0.27 -0.06 0.08 -1.14 0.00 0.00 176.83 176.83 3mwb h ARG 256 N 0.65 0.49 0.01 3.45 0.11 -1.89 -1.63 114.38 115.57 3mwb h ARG 256 Ca 0.41 -0.12 -0.17 0.00 0.10 0.00 0.00 59.98 60.20 3mwb h ARG 256 Cb 0.48 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.51 3mwb h ARG 256 CO -0.30 0.56 -0.65 0.28 0.10 0.00 0.00 179.97 179.96 3mwb h VAL 257 N 0.46 1.42 -0.92 0.08 2.07 -1.51 -1.34 116.25 116.52 3mwb h VAL 257 Ca 0.09 -2.12 0.06 0.00 0.82 0.00 0.00 66.70 65.55 3mwb h VAL 257 Cb 0.40 2.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 3mwb h VAL 257 CO 0.02 0.62 0.59 0.00 0.02 0.00 0.00 177.57 178.82 3mwb h ALA 258 N 0.32 1.26 -0.29 1.67 0.00 -0.97 -0.43 119.26 120.82 3mwb h ALA 258 Ca -0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3mwb h ALA 258 Cb 1.37 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3mwb h ALA 258 CO 0.13 0.38 -0.50 0.22 0.00 0.00 0.00 179.25 179.47 3mwb h ASP 259 N 1.09 0.90 -0.52 0.00 3.58 -1.30 -1.46 116.42 118.70 3mwb h ASP 259 Ca 0.39 -0.46 0.01 0.00 0.42 0.00 0.00 57.03 57.39 3mwb h ASP 259 Cb 0.13 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 3mwb h ASP 259 CO -0.16 1.24 0.34 0.00 -2.88 0.00 0.00 179.24 177.78 3mwb h ALA 260 N 0.79 0.65 -0.73 -0.78 0.00 -0.68 -1.73 119.26 116.79 3mwb h ALA 260 Ca 0.03 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3mwb h ALA 260 Cb 1.09 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3mwb h ALA 260 CO 0.11 0.09 0.41 -0.07 0.00 0.00 0.00 179.25 179.79 3mwb h LEU 261 N 0.69 0.60 -0.49 0.00 3.38 -0.88 0.96 115.31 119.57 3mwb h LEU 261 Ca 0.19 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3mwb h LEU 261 Cb -0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3mwb h LEU 261 CO -0.05 0.37 0.31 0.00 0.09 0.00 0.00 178.44 179.16 3mwb h ALA 262 N 1.39 0.63 -0.84 1.53 0.00 -0.97 -1.37 119.26 119.62 3mwb h ALA 262 Ca 0.34 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3mwb h ALA 262 Cb 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3mwb h ALA 262 CO -0.21 0.10 0.54 0.78 0.00 0.00 0.00 179.25 180.45 3mwb h GLY 263 N 0.66 1.23 0.94 0.00 0.00 -0.50 -2.18 103.07 103.22 3mwb h GLY 263 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3mwb h GLY 263 CO -0.04 0.33 -0.07 1.41 0.00 0.00 0.00 176.54 178.18 3mwb h LEU 264 N 1.04 -0.15 -0.70 3.11 3.38 -0.51 -2.90 115.31 118.57 3mwb h LEU 264 Ca 0.34 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.38 3mwb h LEU 264 Cb 0.04 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3mwb h LEU 264 CO -0.13 -0.05 0.29 -0.74 0.09 0.00 0.00 178.44 177.90 3mwb h HIS 265 N -0.24 0.51 -0.43 1.13 2.76 -1.01 0.11 115.15 117.98 3mwb h HIS 265 Ca -0.02 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3mwb h HIS 265 Cb 0.19 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 3mwb h HIS 265 CO -0.05 0.11 0.16 0.00 -1.30 0.00 0.00 177.93 176.85 3mwb h ARG 266 N 0.47 0.32 -0.26 5.26 3.08 -1.26 -0.23 114.38 121.75 3mwb h ARG 266 Ca 0.37 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.24 3mwb h ARG 266 Cb 0.50 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3mwb h ARG 266 CO -0.35 0.21 -0.50 0.82 -1.07 0.00 0.00 179.97 179.08 3mwb h ILE 267 N 0.33 1.29 -2.15 2.04 2.04 -1.22 -3.41 117.51 116.43 3mwb h ILE 267 Ca 0.20 -1.70 -0.47 0.00 1.00 0.00 0.00 64.86 63.89 3mwb h ILE 267 Cb 0.19 1.63 -0.34 0.00 -0.74 0.00 0.00 36.82 37.55 3mwb h ILE 267 CO -0.20 0.55 -0.80 -0.55 0.00 0.00 0.00 178.15 177.15 3mwb s SER 268 N -6.91 1.46 0.27 1.72 0.15 0.34 -4.83 113.70 105.91 3mwb s SER 268 Ca -0.09 -2.21 0.23 0.00 0.70 0.00 0.00 55.95 54.58 3mwb s SER 268 Cb 0.11 0.14 1.02 0.00 -1.71 0.00 0.00 66.02 65.58 3mwb s SER 268 CO 0.86 -0.22 1.70 -0.81 1.20 0.00 0.00 173.24 175.97 3mwb n PRO 269 N 3.64 0.18 -0.06 5.44 -0.04 -0.15 -1.45 135.00 142.57 3mwb n PRO 269 Ca 0.18 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 64.17 3mwb n PRO 269 Cb 0.45 -1.89 0.28 0.00 -0.04 0.00 0.00 33.50 32.30 3mwb n PRO 269 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mwb n ALA 270 N -1.78 2.52 -1.60 0.55 0.00 -1.26 -4.94 120.51 114.00 3mwb n ALA 270 Ca 0.01 -0.29 -0.45 0.00 0.00 0.00 0.00 53.44 52.71 3mwb n ALA 270 Cb 0.19 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 3mwb n ALA 270 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3mwb n THR 271 N -0.17 1.65 -4.37 0.00 -1.04 -0.53 -4.71 114.28 105.10 3mwb n THR 271 Ca 0.10 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.05 61.36 3mwb n THR 271 Cb 0.16 -1.06 -0.12 0.00 -1.82 0.00 0.00 70.33 67.50 3mwb n THR 271 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3mwb s ARG 272 N -1.20 3.61 -0.17 -2.82 0.52 0.03 -4.99 118.95 113.93 3mwb s ARG 272 Ca 0.62 -0.49 -0.22 0.00 -0.52 0.00 0.00 55.73 55.12 3mwb s ARG 272 Cb -0.72 -2.92 -0.02 0.00 0.52 0.00 0.00 34.95 31.81 3mwb s ARG 272 CO 0.57 0.30 0.69 0.12 0.02 0.00 0.00 175.30 177.01 3mwb s PHE 273 N 0.20 3.41 -0.60 -0.53 5.36 -1.26 -1.18 117.98 123.38 3mwb s PHE 273 Ca -0.01 1.06 0.14 0.00 -0.96 0.00 0.00 56.93 57.15 3mwb s PHE 273 Cb -0.14 -2.86 0.43 0.00 -0.34 0.00 0.00 43.02 40.11 3mwb s PHE 273 CO 0.03 -0.16 1.35 1.28 -1.46 0.00 0.00 175.22 176.26 3mwb n LEU 274 N 4.92 3.46 0.00 6.12 4.77 0.24 -4.85 117.00 131.66 3mwb n LEU 274 Ca 0.00 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 3mwb n LEU 274 Cb 0.50 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3mwb n LEU 274 CO 0.46 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 3mwb n GLY 275 N 0.10 2.86 3.39 -0.72 0.00 -1.23 0.00 105.19 109.58 3mwb n GLY 275 Ca 0.17 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3mwb n GLY 275 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mwb s SER 276 N 0.00 3.49 0.20 1.61 0.01 -1.26 -2.03 113.70 115.73 3mwb s SER 276 Ca 0.00 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.66 3mwb s SER 276 Cb 0.00 -0.55 0.05 0.00 0.21 0.00 0.00 66.02 65.73 3mwb s SER 276 CO 0.00 0.32 0.70 -0.72 0.41 0.00 0.00 173.24 173.95 3mwb s TYR 277 N -0.71 -0.34 0.31 2.43 1.13 -0.20 -4.25 117.35 115.71 3mwb s TYR 277 Ca 0.11 0.02 -0.28 0.00 -1.41 0.00 0.00 57.07 55.51 3mwb s TYR 277 Cb -0.10 0.63 -0.09 0.00 -1.10 0.00 0.00 41.96 41.29 3mwb s TYR 277 CO 0.00 -1.00 1.10 0.00 -2.51 0.00 0.00 175.55 173.15 3mwb s ALA 278 N -3.74 3.34 0.13 9.51 0.00 -1.26 -0.34 121.76 129.40 3mwb s ALA 278 Ca 0.07 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 3mwb s ALA 278 Cb -0.03 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 3mwb s ALA 278 CO -0.03 -0.19 1.34 1.03 0.00 0.00 0.00 175.76 177.90 3mwb s ARG 279 N -1.66 4.36 0.48 0.00 0.52 -0.06 -4.33 118.95 118.24 3mwb s ARG 279 Ca 0.47 2.02 0.19 0.00 -0.52 0.00 0.00 55.73 57.89 3mwb s ARG 279 Cb -0.30 -3.25 1.19 0.00 0.52 0.00 0.00 34.95 33.10 3mwb s ARG 279 CO 0.39 -0.36 2.03 0.00 0.02 0.00 0.00 175.30 177.39 3mwb h ALA 280 N 6.43 1.57 -0.00 2.13 0.00 -1.90 -2.43 119.26 125.07 3mwb h ALA 280 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mwb h ALA 280 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3mwb h ALA 280 CO 0.83 0.19 -0.19 -0.40 0.00 0.00 0.00 179.25 179.68 3mwb n ASP 281 N -4.10 0.30 -2.35 0.00 5.68 -1.26 -4.88 116.55 109.94 3mwb n ASP 281 Ca -0.02 -0.06 -0.16 0.00 -0.50 0.00 0.00 54.79 54.05 3mwb n ASP 281 Cb 0.23 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 3mwb n ASP 281 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mwb n LYS 282 N -1.34 -1.94 -3.50 0.11 4.76 -0.92 -4.96 118.16 110.37 3mwb n LYS 282 Ca 0.09 0.79 -0.39 0.00 -2.87 0.00 0.00 58.31 55.92 3mwb n LYS 282 Cb 0.32 -5.39 -0.10 0.00 -1.84 0.00 0.00 35.03 28.01 3mwb n LYS 282 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3mwb s GLN 283 N -4.91 3.75 0.36 1.97 1.11 -1.26 -4.95 119.66 115.73 3mwb s GLN 283 Ca 0.00 -0.38 -0.27 0.00 0.01 0.00 0.00 55.36 54.73 3mwb s GLN 283 Cb 0.00 -3.73 -0.09 0.00 -1.01 0.00 0.00 33.01 28.18 3mwb s GLN 283 CO 0.00 -0.34 1.14 -2.14 0.01 0.00 0.00 175.29 173.96 3mwb s PRO 284 N 1.85 4.28 0.40 2.91 0.02 -1.26 -4.64 135.00 138.56 3mwb s PRO 284 Ca 0.09 1.82 -0.27 0.00 0.02 0.00 0.00 61.00 62.65 3mwb s PRO 284 Cb -0.16 -2.85 -0.10 0.00 0.02 0.00 0.00 34.50 31.41 3mwb s PRO 284 CO 0.11 -0.12 1.47 0.00 -0.33 0.00 0.00 177.00 178.13 3mwb s ALA 285 N -1.35 3.47 -0.32 -1.55 0.00 -1.21 -4.95 121.76 115.85 3mwb s ALA 285 Ca 0.53 1.54 -0.24 0.00 0.00 0.00 0.00 51.96 53.79 3mwb s ALA 285 Cb -0.31 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.21 3mwb s ALA 285 CO 0.39 -1.10 0.84 0.54 0.00 0.00 0.00 175.76 176.43 3mwb s VAL 286 N -1.15 4.73 -0.34 0.00 0.11 -1.26 -5.02 120.40 117.48 3mwb s VAL 286 Ca 0.55 1.25 -0.13 0.00 -2.93 0.00 0.00 61.98 60.72 3mwb s VAL 286 Cb -0.46 -4.21 -0.02 0.00 -1.53 0.00 0.00 36.38 30.17 3mwb s VAL 286 CO 0.61 -0.32 0.26 -0.69 -3.33 0.00 0.00 175.10 171.63 3mwb s VAL 287 N 3.11 5.27 0.25 2.04 1.01 -1.26 -5.05 120.40 125.77 3mwb s VAL 287 Ca 0.35 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 3mwb s VAL 287 Cb -0.14 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 3mwb s VAL 287 CO 0.14 -0.02 1.64 0.00 0.00 0.00 0.00 175.10 176.85 3mwb n ALA 288 N 5.15 2.55 -0.33 5.51 0.00 -1.26 -4.89 120.51 127.24 3mwb n ALA 288 Ca -0.12 0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.83 3mwb n ALA 288 Cb 0.50 -2.47 0.34 0.00 0.00 0.00 0.00 19.45 17.81 3mwb n ALA 288 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mwb h PRO 289 N 5.56 0.74 0.00 0.00 0.11 -1.99 -0.59 132.00 135.82 3mwb h PRO 289 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mwb h PRO 289 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mwb h PRO 289 CO 0.86 0.49 0.00 -2.39 -0.21 0.00 0.00 178.00 176.74 3mwb n HIS 290 N -4.68 0.00 -0.18 0.65 1.44 -1.26 -2.27 115.22 108.92 3mwb n HIS 290 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 3mwb n HIS 290 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 3mwb n HIS 290 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3mwb n THR 291 N -0.52 0.00 -1.36 0.61 -1.04 -0.24 -4.79 114.28 106.95 3mwb n THR 291 Ca 0.01 -0.33 -0.30 0.00 -2.04 0.00 0.00 64.05 61.39 3mwb n THR 291 Cb 0.00 1.18 0.11 0.00 -1.82 0.00 0.00 70.33 69.79 3mwb n THR 291 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3mwb s SER 292 N -0.32 4.18 0.29 8.00 1.04 -0.96 -4.30 113.70 121.62 3mwb s SER 292 Ca 0.00 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 57.93 3mwb s SER 292 Cb 0.00 -2.23 0.47 0.00 0.10 0.00 0.00 66.02 64.36 3mwb s SER 292 CO 0.00 -2.20 1.90 0.44 0.98 0.00 0.00 173.24 174.37 3mwb h ASP 293 N -1.24 0.97 -0.64 7.02 5.19 -1.95 -2.05 116.42 123.72 3mwb h ASP 293 Ca -0.47 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.89 3mwb h ASP 293 Cb 1.26 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.54 3mwb h ASP 293 CO 0.56 0.63 0.20 0.00 -3.12 0.00 0.00 179.24 177.50 3mwb h ALA 294 N 1.48 0.84 -0.31 3.45 0.00 -1.92 -1.02 119.26 121.78 3mwb h ALA 294 Ca 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mwb h ALA 294 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mwb h ALA 294 CO -0.15 0.52 0.17 0.00 0.00 0.00 0.00 179.25 179.79 3mwb h ALA 295 N 1.07 0.39 -0.53 0.00 0.00 -1.71 0.29 119.26 118.77 3mwb h ALA 295 Ca 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3mwb h ALA 295 Cb 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3mwb h ALA 295 CO -0.01 -0.07 0.32 0.74 0.00 0.00 0.00 179.25 180.23 3mwb h PHE 296 N 0.38 0.59 -0.59 0.00 0.04 -1.21 -1.49 116.94 114.67 3mwb h PHE 296 Ca 0.11 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 3mwb h PHE 296 Cb 0.07 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 3mwb h PHE 296 CO -0.03 0.34 0.27 0.00 -0.60 0.00 0.00 178.31 178.29 3mwb h ALA 297 N 1.24 0.76 -0.81 2.45 0.00 -0.96 -1.81 119.26 120.12 3mwb h ALA 297 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mwb h ALA 297 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3mwb h ALA 297 CO -0.10 0.34 0.40 0.77 0.00 0.00 0.00 179.25 180.66 3mwb h SER 298 N 0.80 1.06 -0.28 0.00 0.02 -0.76 -0.96 113.55 113.44 3mwb h SER 298 Ca 0.20 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.85 3mwb h SER 298 Cb 0.15 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3mwb h SER 298 CO -0.02 0.89 -0.47 0.00 -1.14 0.00 0.00 176.83 176.09 3mwb h ALA 299 N 1.21 0.43 -0.55 3.77 0.00 -1.16 -1.79 119.26 121.17 3mwb h ALA 299 Ca 0.28 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3mwb h ALA 299 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mwb h ALA 299 CO -0.04 0.59 -0.08 1.25 0.00 0.00 0.00 179.25 180.97 3mwb h HIS 300 N 0.57 1.13 -0.65 0.00 6.17 -1.20 -1.21 115.15 119.95 3mwb h HIS 300 Ca 0.02 -0.22 -0.03 0.00 0.71 0.00 0.00 60.37 60.85 3mwb h HIS 300 Cb 1.08 -0.28 -0.03 0.00 2.52 0.00 0.00 27.41 30.69 3mwb h HIS 300 CO 0.08 1.04 0.28 0.00 0.71 0.00 0.00 177.93 180.03 3mwb h ALA 301 N 0.98 1.27 -0.39 5.26 0.00 -1.14 -0.52 119.26 124.72 3mwb h ALA 301 Ca 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3mwb h ALA 301 Cb 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3mwb h ALA 301 CO 0.04 0.55 -0.17 2.35 0.00 0.00 0.00 179.25 182.03 3mwb h TRP 302 N 0.93 0.92 -0.34 0.00 7.01 -0.95 -1.99 115.95 121.53 3mwb h TRP 302 Ca 0.22 -0.22 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 3mwb h TRP 302 Cb 0.15 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 3mwb h TRP 302 CO 0.01 0.97 0.09 0.28 -2.79 0.00 0.00 178.44 177.00 3mwb h VAL 303 N 0.61 1.22 -0.83 2.65 2.07 -1.07 -2.79 116.25 118.10 3mwb h VAL 303 Ca 0.09 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 66.98 3mwb h VAL 303 Cb 0.71 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 3mwb h VAL 303 CO 0.05 0.25 0.47 -0.78 0.02 0.00 0.00 177.57 177.58 3mwb h ASP 304 N 0.40 0.66 0.10 0.57 3.58 -1.01 0.89 116.42 121.61 3mwb h ASP 304 Ca 0.11 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 3mwb h ASP 304 Cb 0.29 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3mwb h ASP 304 CO -0.00 0.36 -0.14 0.77 -2.88 0.00 0.00 179.24 177.35 3mwb h SER 305 N 0.77 0.08 0.10 2.28 4.64 -1.19 0.16 113.55 120.39 3mwb h SER 305 Ca 0.41 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3mwb h SER 305 Cb 0.41 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3mwb h SER 305 CO -0.26 0.23 -0.05 0.40 -0.87 0.00 0.00 176.83 176.28 3mwb h ILE 306 N 0.09 1.13 -0.28 0.95 1.08 -0.96 -1.84 117.51 117.69 3mwb h ILE 306 Ca 0.02 -1.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.31 3mwb h ILE 306 Cb 0.30 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 3mwb h ILE 306 CO 0.02 0.28 0.19 -0.07 -0.69 0.00 0.00 178.15 177.88 3mwb h LEU 307 N -0.72 0.20 -1.82 1.44 3.38 -0.40 -2.77 115.31 114.62 3mwb h LEU 307 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3mwb h LEU 307 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3mwb h LEU 307 CO 0.02 0.14 0.00 0.29 0.09 0.00 0.00 178.44 178.98 3mwb n LYS 308 N -4.49 1.44 0.00 1.13 5.02 0.50 -5.09 118.16 116.67 3mwb n LYS 308 Ca 0.02 -1.57 0.02 0.00 -2.02 0.00 0.00 58.31 54.76 3mwb n LYS 308 Cb 0.19 -1.31 0.09 0.00 -0.02 0.00 0.00 35.03 33.98 3mwb n LYS 308 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29