#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa3 s VAL 6 N 0.00 1.38 -0.20 1.39 1.01 0.05 -0.68 120.40 123.36 1pa3 s VAL 6 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1pa3 s VAL 6 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1pa3 s VAL 6 CO 0.00 0.40 -0.04 -0.22 0.00 0.00 0.00 175.10 175.25 1pa3 s LEU 7 N 0.23 3.05 -0.17 3.92 2.96 0.18 -0.12 118.68 128.72 1pa3 s LEU 7 Ca -0.08 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1pa3 s LEU 7 Cb -0.13 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1pa3 s LEU 7 CO 0.03 0.05 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.78 1pa3 s TYR 8 N 1.05 3.04 0.23 5.38 1.51 0.16 -1.05 117.35 127.67 1pa3 s TYR 8 Ca 0.01 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.52 1pa3 s TYR 8 Cb -0.15 -2.01 0.07 0.00 -0.11 0.00 0.00 41.96 39.76 1pa3 s TYR 8 CO 0.00 -0.11 0.95 -0.47 -1.11 0.00 0.00 175.55 174.82 1pa3 s TYR 9 N 0.60 0.03 0.65 2.71 6.04 -1.05 -2.15 117.35 124.19 1pa3 s TYR 9 Ca -0.02 -0.49 -0.11 0.00 0.04 0.00 0.00 57.07 56.49 1pa3 s TYR 9 Cb -0.14 0.73 -0.02 0.00 -1.04 0.00 0.00 41.96 41.48 1pa3 s TYR 9 CO 0.02 -1.09 1.05 -0.06 -1.54 0.00 0.00 175.55 173.93 1pa3 s PHE 10 N -2.50 3.53 -1.02 4.97 0.40 -1.26 -0.43 117.98 121.66 1pa3 s PHE 10 Ca 0.18 1.20 -0.21 0.00 -0.60 0.00 0.00 56.93 57.49 1pa3 s PHE 10 Cb -0.03 -2.83 -0.10 0.00 0.51 0.00 0.00 43.02 40.57 1pa3 s PHE 10 CO 0.06 -0.85 1.93 -3.47 0.70 0.00 0.00 175.22 173.60 1pa3 n ASP 11 N -2.83 3.03 -3.74 1.36 4.64 -0.83 -4.56 116.55 113.62 1pa3 n ASP 11 Ca 0.06 -2.72 -0.06 0.00 -1.38 0.00 0.00 54.79 50.70 1pa3 n ASP 11 Cb 0.55 -1.45 -0.01 0.00 -1.04 0.00 0.00 41.12 39.17 1pa3 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1pa3 s ALA 12 N 7.23 -1.37 0.00 -1.67 0.00 -1.26 -5.04 121.76 119.65 1pa3 s ALA 12 Ca 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1pa3 s ALA 12 Cb 0.08 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1pa3 s ALA 12 CO 0.11 -1.04 0.05 0.54 0.00 0.00 0.00 175.76 175.42 1pa3 n ARG 13 N -0.48 0.00 0.00 0.00 1.74 -1.26 -4.76 116.66 111.90 1pa3 n ARG 13 Ca -0.05 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1pa3 n ARG 13 Cb 0.60 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 1pa3 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pa3 n GLY 14 N 2.14 3.20 0.42 -0.13 0.00 -1.26 -1.37 105.19 108.19 1pa3 n GLY 14 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1pa3 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pa3 n LYS 15 N 14.00 1.55 0.00 1.61 5.02 -1.26 -3.91 118.16 135.16 1pa3 n LYS 15 Ca 0.00 -0.83 0.06 0.00 -2.02 0.00 0.00 58.31 55.53 1pa3 n LYS 15 Cb 0.00 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 1pa3 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pa3 n ALA 16 N 0.07 3.66 -0.07 7.82 0.00 -0.47 -4.59 120.51 126.92 1pa3 n ALA 16 Ca 0.14 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 1pa3 n ALA 16 Cb 0.25 -0.48 0.10 0.00 0.00 0.00 0.00 19.45 19.32 1pa3 n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pa3 h GLU 17 N 0.18 0.73 -0.36 0.00 4.57 -1.63 -2.64 114.58 115.42 1pa3 h GLU 17 Ca 0.00 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1pa3 h GLU 17 Cb 0.33 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1pa3 h GLU 17 CO 0.00 0.89 0.11 1.25 -1.18 0.00 0.00 179.01 180.08 1pa3 h LEU 18 N 0.64 0.48 -0.36 1.64 5.85 -1.85 0.03 115.31 121.73 1pa3 h LEU 18 Ca 0.09 -0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 1pa3 h LEU 18 Cb 0.73 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1pa3 h LEU 18 CO 0.06 0.46 -0.44 0.40 -0.34 0.00 0.00 178.44 178.58 1pa3 h ILE 19 N 0.52 1.27 -0.02 4.05 5.03 -1.80 -2.09 117.51 124.47 1pa3 h ILE 19 Ca 0.12 -1.61 -0.07 0.00 -0.12 0.00 0.00 64.86 63.18 1pa3 h ILE 19 Cb 0.17 1.45 -0.01 0.00 -3.03 0.00 0.00 36.82 35.40 1pa3 h ILE 19 CO -0.01 0.54 -0.30 0.03 -0.68 0.00 0.00 178.15 177.73 1pa3 h ARG 20 N 0.74 0.04 -0.10 2.37 3.08 -0.96 -0.88 114.38 118.68 1pa3 h ARG 20 Ca 0.05 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 1pa3 h ARG 20 Cb 1.04 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1pa3 h ARG 20 CO 0.10 0.33 -0.74 -0.07 -1.07 0.00 0.00 179.97 178.52 1pa3 h LEU 21 N 0.03 0.59 0.51 3.04 3.38 -0.89 -1.63 115.31 120.34 1pa3 h LEU 21 Ca 0.00 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1pa3 h LEU 21 Cb 0.54 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1pa3 h LEU 21 CO 0.04 1.15 -0.25 0.40 0.09 0.00 0.00 178.44 179.87 1pa3 h ILE 22 N 0.34 0.46 -0.96 1.22 1.08 -0.83 0.35 117.51 119.17 1pa3 h ILE 22 Ca -0.04 -0.23 0.13 0.00 -0.39 0.00 0.00 64.86 64.34 1pa3 h ILE 22 Cb 1.33 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 35.56 1pa3 h ILE 22 CO 0.13 0.04 0.61 -0.26 -0.69 0.00 0.00 178.15 177.98 1pa3 h PHE 23 N -0.83 1.02 0.23 1.37 0.04 -1.19 -0.78 116.94 116.81 1pa3 h PHE 23 Ca -0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1pa3 h PHE 23 Cb 0.59 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1pa3 h PHE 23 CO -0.01 0.38 -0.11 0.00 -0.60 0.00 0.00 178.31 177.97 1pa3 h ALA 24 N 1.57 -0.31 -0.40 2.45 0.00 -1.03 0.20 119.26 121.73 1pa3 h ALA 24 Ca 0.49 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1pa3 h ALA 24 Cb 0.60 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1pa3 h ALA 24 CO -0.25 -0.46 -0.50 -0.92 0.00 0.00 0.00 179.25 177.12 1pa3 h TYR 25 N -0.75 -1.51 0.00 0.00 3.20 0.27 0.38 116.97 118.55 1pa3 h TYR 25 Ca -0.03 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1pa3 h TYR 25 Cb 0.50 0.71 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1pa3 h TYR 25 CO 0.05 -0.47 0.00 1.28 -1.64 0.00 0.00 178.16 177.37 1pa3 n LEU 26 N -5.40 0.69 -0.86 2.82 4.77 -0.35 -4.87 117.00 113.80 1pa3 n LEU 26 Ca -0.02 0.69 -0.10 0.00 -0.03 0.00 0.00 56.01 56.55 1pa3 n LEU 26 Cb 0.35 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1pa3 n LEU 26 CO 0.02 -0.64 -0.10 0.61 -1.33 0.00 0.00 177.39 175.95 1pa3 n GLY 27 N -0.21 0.91 3.78 -0.72 0.00 0.13 -5.00 105.19 104.07 1pa3 n GLY 27 Ca 0.01 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1pa3 n GLY 27 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pa3 s ILE 28 N -2.40 4.83 0.54 -0.61 -1.16 -0.56 -5.00 121.20 116.83 1pa3 s ILE 28 Ca 0.00 1.28 -0.15 0.00 -0.51 0.00 0.00 60.65 61.27 1pa3 s ILE 28 Cb 0.00 -3.94 -0.07 0.00 0.61 0.00 0.00 42.46 39.06 1pa3 s ILE 28 CO 0.00 0.46 1.00 -1.83 -2.81 0.00 0.00 174.94 171.75 1pa3 s GLU 29 N -0.48 3.87 0.03 3.50 -1.05 -1.26 -4.66 118.70 118.65 1pa3 s GLU 29 Ca 0.31 0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 55.76 1pa3 s GLU 29 Cb -0.19 -2.12 0.10 0.00 -0.44 0.00 0.00 34.13 31.48 1pa3 s GLU 29 CO 0.18 -0.34 1.10 1.52 0.95 0.00 0.00 175.26 178.67 1pa3 s TYR 30 N -2.74 -0.13 -0.24 4.83 1.13 -1.26 -4.72 117.35 114.22 1pa3 s TYR 30 Ca 0.58 -0.05 -0.13 0.00 -1.41 0.00 0.00 57.07 56.06 1pa3 s TYR 30 Cb -0.10 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1pa3 s TYR 30 CO 0.36 -0.51 0.28 0.99 -2.51 0.00 0.00 175.55 174.16 1pa3 s THR 31 N -2.85 5.26 -1.01 -3.49 2.01 0.15 -5.00 115.64 110.71 1pa3 s THR 31 Ca 0.11 0.42 -0.13 0.00 0.31 0.00 0.00 61.69 62.40 1pa3 s THR 31 Cb 0.01 -3.62 0.21 0.00 0.01 0.00 0.00 72.50 69.12 1pa3 s THR 31 CO -0.02 0.26 1.07 -0.62 -0.69 0.00 0.00 174.62 174.62 1pa3 s ASP 32 N 1.29 6.97 -0.30 3.53 3.68 -1.26 -0.65 116.67 129.94 1pa3 s ASP 32 Ca 0.12 -2.91 -0.29 0.00 2.13 0.00 0.00 52.55 51.60 1pa3 s ASP 32 Cb -0.15 -2.28 0.02 0.00 -1.45 0.00 0.00 42.92 39.06 1pa3 s ASP 32 CO 0.08 -0.61 1.07 -0.75 0.13 0.00 0.00 175.17 175.09 1pa3 s LYS 33 N 0.45 4.11 -0.17 4.34 2.47 -0.22 -4.98 119.74 125.74 1pa3 s LYS 33 Ca 0.29 1.14 -0.01 0.00 -1.56 0.00 0.00 55.97 55.84 1pa3 s LYS 33 Cb -0.08 -3.71 -0.00 0.00 -1.46 0.00 0.00 37.83 32.58 1pa3 s LYS 33 CO -0.07 -0.84 -0.12 1.03 0.16 0.00 0.00 175.35 175.51 1pa3 s ARG 34 N 3.54 3.26 0.50 4.03 0.52 -1.26 -2.53 118.95 127.02 1pa3 s ARG 34 Ca 0.45 -0.71 -0.22 0.00 -0.52 0.00 0.00 55.73 54.73 1pa3 s ARG 34 Cb -0.13 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.54 1pa3 s ARG 34 CO 0.13 -0.05 1.17 -0.06 0.02 0.00 0.00 175.30 176.52 1pa3 s PHE 35 N 1.00 2.73 -1.23 -0.53 2.99 0.43 -3.62 117.98 119.75 1pa3 s PHE 35 Ca -0.01 1.52 0.00 0.00 0.00 0.00 0.00 56.93 58.44 1pa3 s PHE 35 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 43.02 39.48 1pa3 s PHE 35 CO -0.02 -1.69 0.00 0.41 -0.00 0.00 0.00 175.22 173.92 1pa3 n GLY 36 N 0.40 0.09 0.20 4.36 0.00 -1.26 -1.97 105.19 107.00 1pa3 n GLY 36 Ca 0.09 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1pa3 n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pa3 h VAL 37 N 0.00 1.34 0.00 1.61 2.07 -1.95 -3.41 116.25 115.90 1pa3 h VAL 37 Ca -0.32 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1pa3 h VAL 37 Cb 1.18 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1pa3 h VAL 37 CO 0.39 0.61 -0.63 0.59 0.02 0.00 0.00 177.57 178.55 1pa3 n ASN 38 N -3.90 0.26 -3.09 0.57 3.02 -1.26 -5.10 115.26 105.76 1pa3 n ASN 38 Ca -0.04 0.05 -0.17 0.00 -0.03 0.00 0.00 54.58 54.39 1pa3 n ASN 38 Cb 0.67 -0.06 0.12 0.00 -0.61 0.00 0.00 39.78 39.90 1pa3 n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pa3 n GLY 39 N 2.92 -1.72 3.71 7.41 0.00 -1.26 -5.00 105.19 111.25 1pa3 n GLY 39 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1pa3 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pa3 s ASP 40 N -3.61 7.02 0.10 1.61 2.15 -1.26 -4.27 116.67 118.41 1pa3 s ASP 40 Ca 0.42 2.04 -0.24 0.00 0.43 0.00 0.00 52.55 55.20 1pa3 s ASP 40 Cb -0.02 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.90 1pa3 s ASP 40 CO 0.30 -0.53 1.71 0.00 -0.17 0.00 0.00 175.17 176.48 1pa3 h ALA 41 N 6.99 -0.14 0.00 3.66 0.00 -1.88 -2.50 119.26 125.39 1pa3 h ALA 41 Ca -0.40 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1pa3 h ALA 41 Cb 1.20 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1pa3 h ALA 41 CO 0.84 -0.59 -0.10 0.74 0.00 0.00 0.00 179.25 180.13 1pa3 h PHE 42 N -0.17 0.00 0.07 0.00 -1.00 -1.97 0.26 116.94 114.13 1pa3 h PHE 42 Ca 0.01 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.63 1pa3 h PHE 42 Cb 0.17 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.74 1pa3 h PHE 42 CO -0.11 0.10 -0.68 0.28 -1.61 0.00 0.00 178.31 176.29 1pa3 h VAL 43 N 0.00 1.48 -0.66 -0.55 2.07 -1.95 0.24 116.25 116.88 1pa3 h VAL 43 Ca -0.00 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.23 1pa3 h VAL 43 Cb 0.27 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1pa3 h VAL 43 CO 0.01 0.65 0.39 -0.33 0.02 0.00 0.00 177.57 178.32 1pa3 h GLU 44 N -0.26 0.89 -0.02 1.57 5.08 -0.95 0.98 114.58 121.88 1pa3 h GLU 44 Ca -0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1pa3 h GLU 44 Cb 1.45 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pa3 h GLU 44 CO 0.13 0.62 -0.03 0.35 -1.00 0.00 0.00 179.01 179.08 1pa3 h PHE 45 N 0.90 0.06 -0.30 4.33 -0.00 -0.47 -2.19 116.94 119.27 1pa3 h PHE 45 Ca 0.24 -0.02 0.09 0.00 -0.00 0.00 0.00 57.97 58.27 1pa3 h PHE 45 Cb -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 35.90 1pa3 h PHE 45 CO 0.00 0.62 0.24 -0.22 -0.00 0.00 0.00 178.31 178.95 1pa3 h LYS 46 N -0.52 0.00 0.00 1.11 3.64 -0.01 -0.43 116.57 120.37 1pa3 h LYS 46 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1pa3 h LYS 46 Cb 0.62 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1pa3 h LYS 46 CO 0.01 0.00 -0.93 -0.91 -2.27 0.00 0.00 179.45 175.35 1pa3 h ASN 47 N 0.00 0.00 -0.11 4.20 2.35 -0.75 -3.30 115.58 117.96 1pa3 h ASN 47 Ca 0.14 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.69 1pa3 h ASN 47 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1pa3 h ASN 47 CO -0.00 0.16 -0.70 0.15 -1.65 0.00 0.00 177.43 175.39 1pa3 h PHE 48 N 0.00 0.98 0.00 1.19 3.04 -0.44 -2.72 116.94 118.99 1pa3 h PHE 48 Ca -0.04 -0.41 -0.01 0.00 3.98 0.00 0.00 57.97 61.49 1pa3 h PHE 48 Cb 1.15 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.50 1pa3 h PHE 48 CO 0.00 1.22 -0.07 0.87 -2.02 0.00 0.00 178.31 178.31 1pa3 h LYS 49 N 0.53 0.00 0.05 1.11 1.57 -1.49 0.76 116.57 119.10 1pa3 h LYS 49 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pa3 h LYS 49 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1pa3 h LYS 49 CO 0.14 0.07 -0.02 0.87 -0.57 0.00 0.00 179.45 179.94 1pa3 h LYS 50 N 0.00 -0.06 0.00 3.15 1.57 -1.60 -3.34 116.57 116.30 1pa3 h LYS 50 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pa3 h LYS 50 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1pa3 h LYS 50 CO 0.01 -0.04 0.07 0.39 -0.57 0.00 0.00 179.45 179.31 1pa3 n GLU 51 N -3.31 0.13 -4.34 3.15 1.02 -1.04 -4.55 120.64 111.69 1pa3 n GLU 51 Ca -0.01 0.62 -0.20 0.00 -0.02 0.00 0.00 57.16 57.55 1pa3 n GLU 51 Cb 0.03 -1.99 -0.16 0.00 -0.02 0.00 0.00 31.44 29.30 1pa3 n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pa3 s LYS 52 N -3.50 0.92 -0.87 3.49 3.01 0.25 -5.08 119.74 117.97 1pa3 s LYS 52 Ca -0.02 -0.27 -0.22 0.00 -1.01 0.00 0.00 55.97 54.45 1pa3 s LYS 52 Cb 0.06 -0.87 0.08 0.00 -1.01 0.00 0.00 37.83 36.09 1pa3 s LYS 52 CO 0.18 0.08 1.20 0.34 0.51 0.00 0.00 175.35 177.66 1pa3 s ASP 53 N 0.30 6.43 0.03 2.83 3.68 -1.26 -4.48 116.67 124.20 1pa3 s ASP 53 Ca -0.05 -1.45 -0.12 0.00 2.13 0.00 0.00 52.55 53.06 1pa3 s ASP 53 Cb -0.09 -2.47 -0.06 0.00 -1.45 0.00 0.00 42.92 38.85 1pa3 s ASP 53 CO 0.00 -1.37 0.39 0.42 0.13 0.00 0.00 175.17 174.74 1pa3 s THR 54 N 4.01 5.09 0.06 1.71 -4.23 -1.26 -5.02 115.64 116.00 1pa3 s THR 54 Ca 0.34 0.61 -0.24 0.00 -1.18 0.00 0.00 61.69 61.22 1pa3 s THR 54 Cb -0.06 -3.66 -0.16 0.00 1.34 0.00 0.00 72.50 69.95 1pa3 s THR 54 CO -0.02 0.44 1.62 -0.65 -0.54 0.00 0.00 174.62 175.46 1pa3 h PRO 55 N 4.23 -0.01 -0.01 3.99 0.11 -1.95 -3.32 132.00 135.04 1pa3 h PRO 55 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1pa3 h PRO 55 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pa3 h PRO 55 CO 0.64 0.11 -0.25 1.19 -0.21 0.00 0.00 178.00 179.48 1pa3 n PHE 56 N -5.04 0.03 -4.24 0.65 0.99 -1.26 -4.99 117.46 103.60 1pa3 n PHE 56 Ca -0.07 -1.26 -0.37 0.00 -0.00 0.00 0.00 57.45 55.75 1pa3 n PHE 56 Cb 0.09 -0.21 -0.03 0.00 -1.00 0.00 0.00 39.48 38.33 1pa3 n PHE 56 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1pa3 n GLU 57 N -1.27 -3.08 -3.77 -1.08 1.02 -1.25 -4.94 120.64 106.27 1pa3 n GLU 57 Ca 0.18 0.36 -0.13 0.00 -0.02 0.00 0.00 57.16 57.55 1pa3 n GLU 57 Cb 0.67 -5.10 -0.09 0.00 -0.02 0.00 0.00 31.44 26.90 1pa3 n GLU 57 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1pa3 s GLN 58 N -6.95 0.57 0.37 3.49 -2.07 -1.26 -5.12 119.66 108.70 1pa3 s GLN 58 Ca 0.76 -0.06 0.07 0.00 -1.82 0.00 0.00 55.36 54.31 1pa3 s GLN 58 Cb -0.41 0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 31.75 1pa3 s GLN 58 CO 0.93 -0.14 0.41 0.14 -1.32 0.00 0.00 175.29 175.31 1pa3 s VAL 59 N -0.96 3.38 0.66 3.63 -7.23 -1.26 -4.68 120.40 113.94 1pa3 s VAL 59 Ca -0.10 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 58.69 1pa3 s VAL 59 Cb -0.05 -3.17 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 1pa3 s VAL 59 CO 0.03 -0.10 1.22 -2.16 -0.31 0.00 0.00 175.10 173.78 1pa3 s PRO 60 N -4.13 2.56 -0.05 4.82 0.04 -1.26 -4.96 135.00 132.02 1pa3 s PRO 60 Ca 0.46 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1pa3 s PRO 60 Cb -0.07 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1pa3 s PRO 60 CO 0.29 -1.53 -0.10 0.42 0.04 0.00 0.00 177.00 176.12 1pa3 s ILE 61 N -1.73 0.92 -0.20 0.56 1.09 -0.91 -3.77 121.20 117.17 1pa3 s ILE 61 Ca 0.77 -0.39 -0.02 0.00 -1.10 0.00 0.00 60.65 59.91 1pa3 s ILE 61 Cb -0.31 -0.84 0.00 0.00 -1.06 0.00 0.00 42.46 40.25 1pa3 s ILE 61 CO 0.39 0.30 -0.11 -0.22 -0.10 0.00 0.00 174.94 175.20 1pa3 s LEU 62 N 0.50 2.59 -0.28 2.97 1.98 -0.25 -0.66 118.68 125.52 1pa3 s LEU 62 Ca -0.09 -0.48 -0.08 0.00 -2.89 0.00 0.00 54.13 50.58 1pa3 s LEU 62 Cb -0.13 -1.63 -0.01 0.00 0.66 0.00 0.00 46.19 45.08 1pa3 s LEU 62 CO 0.02 0.00 0.10 -1.58 -1.89 0.00 0.00 176.35 173.00 1pa3 s GLN 63 N 1.31 3.39 -0.34 1.98 0.74 0.83 -0.77 119.66 126.79 1pa3 s GLN 63 Ca 0.04 -0.66 -0.03 0.00 0.05 0.00 0.00 55.36 54.76 1pa3 s GLN 63 Cb -0.14 -3.42 0.07 0.00 1.10 0.00 0.00 33.01 30.62 1pa3 s GLN 63 CO -0.06 -0.34 0.09 0.42 -0.55 0.00 0.00 175.29 174.85 1pa3 s ILE 64 N 1.58 3.19 0.00 -2.34 1.01 -0.49 -0.77 121.20 123.39 1pa3 s ILE 64 Ca 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1pa3 s ILE 64 Cb -0.16 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1pa3 s ILE 64 CO 0.04 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1pa3 n GLY 65 N 4.63 2.19 1.45 6.18 0.00 -1.26 -1.42 105.19 116.96 1pa3 n GLY 65 Ca -0.09 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1pa3 n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pa3 n ASP 66 N 6.16 4.23 -4.72 1.61 9.92 -1.26 -4.90 116.55 127.58 1pa3 n ASP 66 Ca 0.00 -2.13 -0.38 0.00 -0.53 0.00 0.00 54.79 51.75 1pa3 n ASP 66 Cb 0.00 -0.52 -0.06 0.00 -0.64 0.00 0.00 41.12 39.89 1pa3 n ASP 66 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1pa3 s LEU 67 N -1.25 4.27 -0.27 0.64 2.96 -0.51 -5.07 118.68 119.45 1pa3 s LEU 67 Ca 0.50 0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 55.12 1pa3 s LEU 67 Cb 0.28 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1pa3 s LEU 67 CO 0.31 0.02 0.03 -0.63 -1.32 0.00 0.00 176.35 174.77 1pa3 s ILE 68 N 0.59 3.74 -0.13 6.68 1.09 -1.26 -1.39 121.20 130.51 1pa3 s ILE 68 Ca 0.24 -0.62 -0.05 0.00 -1.10 0.00 0.00 60.65 59.12 1pa3 s ILE 68 Cb -0.15 -2.85 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 1pa3 s ILE 68 CO 0.09 0.21 0.04 -0.76 -0.10 0.00 0.00 174.94 174.42 1pa3 s LEU 69 N 1.49 3.78 0.20 2.97 1.43 0.05 -4.98 118.68 123.62 1pa3 s LEU 69 Ca 0.03 0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1pa3 s LEU 69 Cb -0.16 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1pa3 s LEU 69 CO 0.00 0.30 -0.14 0.00 0.23 0.00 0.00 176.35 176.74 1pa3 s ALA 70 N -0.39 1.98 0.00 4.21 0.00 -1.26 -1.09 121.76 125.21 1pa3 s ALA 70 Ca 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1pa3 s ALA 70 Cb -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1pa3 s ALA 70 CO 0.02 0.06 0.00 1.04 0.00 0.00 0.00 175.76 176.88 1pa3 n GLN 71 N -0.33 0.00 -0.31 0.00 1.13 -1.25 -4.49 117.38 112.14 1pa3 n GLN 71 Ca -0.08 0.48 -0.05 0.00 -1.94 0.00 0.00 57.00 55.41 1pa3 n GLN 71 Cb 0.60 -0.95 -0.02 0.00 0.11 0.00 0.00 30.24 29.98 1pa3 n GLN 71 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1pa3 n SER 72 N 0.00 -0.66 -0.07 1.08 3.41 -1.26 -0.54 113.62 115.59 1pa3 n SER 72 Ca 0.00 1.35 -0.07 0.00 -0.26 0.00 0.00 58.87 59.89 1pa3 n SER 72 Cb 0.00 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 1pa3 n SER 72 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1pa3 h GLN 73 N 0.00 -0.13 -0.53 4.33 4.15 -1.92 0.52 115.11 121.54 1pa3 h GLN 73 Ca 0.19 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 1pa3 h GLN 73 Cb 0.39 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1pa3 h GLN 73 CO -0.74 -0.09 0.22 0.00 -1.93 0.00 0.00 178.83 176.30 1pa3 h ALA 74 N 1.06 1.41 -0.25 3.38 0.00 -1.15 -2.45 119.26 121.25 1pa3 h ALA 74 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1pa3 h ALA 74 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pa3 h ALA 74 CO -0.37 0.46 -0.02 0.82 0.00 0.00 0.00 179.25 180.14 1pa3 h ILE 75 N 0.74 1.27 -0.22 0.00 2.04 0.49 -2.53 117.51 119.30 1pa3 h ILE 75 Ca 0.18 -0.96 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 1pa3 h ILE 75 Cb 0.13 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1pa3 h ILE 75 CO -0.02 0.30 -0.25 -0.37 0.00 0.00 0.00 178.15 177.81 1pa3 h VAL 76 N 0.22 1.26 -0.46 1.67 -1.51 -0.69 -1.05 116.25 115.69 1pa3 h VAL 76 Ca 0.07 -1.22 -0.07 0.00 -1.23 0.00 0.00 66.70 64.24 1pa3 h VAL 76 Cb 0.45 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 1pa3 h VAL 76 CO 0.02 0.38 -0.01 0.03 -1.23 0.00 0.00 177.57 176.76 1pa3 h ARG 77 N 0.37 0.76 0.71 5.19 3.08 -1.40 0.44 114.38 123.55 1pa3 h ARG 77 Ca 0.06 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1pa3 h ARG 77 Cb 0.64 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.60 1pa3 h ARG 77 CO 0.05 0.78 -0.34 -0.92 -1.07 0.00 0.00 179.97 178.46 1pa3 h TYR 78 N 0.71 -0.89 -0.81 3.04 5.03 -0.98 -1.67 116.97 121.40 1pa3 h TYR 78 Ca 0.14 -0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.59 1pa3 h TYR 78 Cb 0.45 0.29 -0.11 0.00 1.55 0.00 0.00 36.73 38.92 1pa3 h TYR 78 CO 0.02 -0.55 0.33 -0.07 -1.32 0.00 0.00 178.16 176.57 1pa3 h LEU 79 N -1.14 0.30 -1.19 2.82 4.07 -1.16 -1.71 115.31 117.29 1pa3 h LEU 79 Ca -0.10 0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1pa3 h LEU 79 Cb 0.73 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 1pa3 h LEU 79 CO 0.16 0.07 0.25 0.28 -1.08 0.00 0.00 178.44 178.12 1pa3 h SER 80 N 0.44 0.73 -0.11 -0.43 0.02 -0.79 -0.71 113.55 112.70 1pa3 h SER 80 Ca 0.46 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.21 1pa3 h SER 80 Cb 0.76 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1pa3 h SER 80 CO -0.45 0.65 -0.40 0.11 -1.14 0.00 0.00 176.83 175.60 1pa3 h LYS 81 N 0.81 0.47 -0.32 3.45 1.57 -0.46 -1.26 116.57 120.84 1pa3 h LYS 81 Ca 0.20 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1pa3 h LYS 81 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1pa3 h LYS 81 CO -0.02 0.98 0.02 -0.22 -0.57 0.00 0.00 179.45 179.64 1pa3 h LYS 82 N 0.06 0.48 -0.39 3.15 3.64 -1.15 -3.14 116.57 119.21 1pa3 h LYS 82 Ca -0.02 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1pa3 h LYS 82 Cb 1.03 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.67 1pa3 h LYS 82 CO 0.08 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.42 1pa3 n TYR 83 N -4.31 1.24 -3.87 1.91 4.02 -0.29 -5.01 117.16 110.85 1pa3 n TYR 83 Ca 0.01 -1.46 -0.24 0.00 -0.01 0.00 0.00 57.90 56.20 1pa3 n TYR 83 Cb 0.22 -0.50 -0.00 0.00 -0.02 0.00 0.00 39.34 39.04 1pa3 n TYR 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pa3 n ASN 84 N -0.99 -0.57 -1.79 7.72 3.02 -1.00 -4.90 115.26 116.75 1pa3 n ASN 84 Ca 0.33 -0.95 -0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1pa3 n ASN 84 Cb 1.06 -3.38 0.06 0.00 -0.61 0.00 0.00 39.78 36.92 1pa3 n ASN 84 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pa3 n ILE 85 N -4.36 1.09 -0.35 2.41 -6.64 -0.51 -4.72 119.36 106.28 1pa3 n ILE 85 Ca -0.31 -2.37 0.04 0.00 -1.77 0.00 0.00 62.75 58.34 1pa3 n ILE 85 Cb 0.68 0.59 0.08 0.00 -1.44 0.00 0.00 39.64 39.56 1pa3 n ILE 85 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pa3 n GLY 87 N -0.54 1.55 1.18 0.00 0.00 -1.26 -3.99 105.19 102.13 1pa3 n GLY 87 Ca 0.07 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.30 1pa3 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pa3 n GLU 88 N 1.46 2.68 -3.46 1.61 1.02 -1.26 -4.80 120.64 117.89 1pa3 n GLU 88 Ca 0.00 -2.99 -0.12 0.00 -0.02 0.00 0.00 57.16 54.03 1pa3 n GLU 88 Cb 0.00 -1.90 -0.02 0.00 -0.02 0.00 0.00 31.44 29.49 1pa3 n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1pa3 s SER 89 N -1.97 -0.51 0.11 1.62 1.04 -1.26 -5.02 113.70 107.70 1pa3 s SER 89 Ca 0.45 -0.05 -0.31 0.00 0.48 0.00 0.00 55.95 56.52 1pa3 s SER 89 Cb 0.38 0.58 -0.12 0.00 0.10 0.00 0.00 66.02 66.96 1pa3 s SER 89 CO 0.07 -0.95 1.50 -0.33 0.98 0.00 0.00 173.24 174.51 1pa3 h GLU 90 N 2.06 -0.51 -0.10 4.02 5.08 -1.98 0.15 114.58 123.29 1pa3 h GLU 90 Ca -0.34 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1pa3 h GLU 90 Cb 1.30 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1pa3 h GLU 90 CO 0.39 -0.34 -0.27 1.25 -1.00 0.00 0.00 179.01 179.05 1pa3 h LEU 91 N -0.53 -0.82 -1.54 1.33 5.85 -1.99 -1.93 115.31 115.68 1pa3 h LEU 91 Ca 0.03 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1pa3 h LEU 91 Cb 0.62 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1pa3 h LEU 91 CO -0.40 -0.32 -0.24 0.78 -0.34 0.00 0.00 178.44 177.92 1pa3 h ASN 92 N -0.35 0.00 -0.65 1.25 -0.26 -1.88 -0.42 115.58 113.27 1pa3 h ASN 92 Ca 0.09 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.77 1pa3 h ASN 92 Cb 0.49 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.72 1pa3 h ASN 92 CO -0.30 0.24 0.16 -0.08 -1.06 0.00 0.00 177.43 176.39 1pa3 h GLU 93 N 0.00 1.05 -0.20 0.81 4.81 -0.23 -2.02 114.58 118.80 1pa3 h GLU 93 Ca -0.00 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1pa3 h GLU 93 Cb 0.49 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1pa3 h GLU 93 CO 0.03 0.94 0.02 0.35 -0.73 0.00 0.00 179.01 179.62 1pa3 h PHE 94 N 0.97 0.37 -0.77 0.92 3.57 -0.44 -2.34 116.94 119.23 1pa3 h PHE 94 Ca 0.21 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1pa3 h PHE 94 Cb 0.36 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1pa3 h PHE 94 CO 0.03 0.51 0.43 1.88 -2.23 0.00 0.00 178.31 178.93 1pa3 h TYR 95 N 0.12 1.04 -0.09 0.41 0.05 -0.94 0.32 116.97 117.88 1pa3 h TYR 95 Ca 0.06 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1pa3 h TYR 95 Cb 0.36 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 1pa3 h TYR 95 CO 0.03 0.72 0.03 0.00 -1.05 0.00 0.00 178.16 177.89 1pa3 h ALA 96 N 1.40 0.12 -0.77 3.88 0.00 -1.33 -0.64 119.26 121.92 1pa3 h ALA 96 Ca 0.27 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1pa3 h ALA 96 Cb 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1pa3 h ALA 96 CO -0.05 -0.28 0.46 0.22 0.00 0.00 0.00 179.25 179.60 1pa3 h ASP 97 N -0.02 0.71 -0.08 0.00 -0.00 -0.87 -0.41 116.42 115.76 1pa3 h ASP 97 Ca 0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1pa3 h ASP 97 Cb 0.19 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 39.39 1pa3 h ASP 97 CO -0.00 0.46 0.05 -0.03 -0.00 0.00 0.00 179.24 179.71 1pa3 h MET 98 N 0.84 0.11 -0.12 0.28 4.05 0.09 -1.08 114.93 119.10 1pa3 h MET 98 Ca 0.34 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.64 1pa3 h MET 98 Cb 0.17 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1pa3 h MET 98 CO -0.17 0.12 -0.41 -0.84 0.23 0.00 0.00 176.91 175.84 1pa3 h ILE 99 N 0.06 1.31 -0.71 1.77 3.07 -0.76 -1.95 117.51 120.30 1pa3 h ILE 99 Ca 0.03 -1.53 0.00 0.00 1.55 0.00 0.00 64.86 64.91 1pa3 h ILE 99 Cb 0.05 1.68 -0.03 0.00 -0.27 0.00 0.00 36.82 38.24 1pa3 h ILE 99 CO -0.01 0.46 0.46 0.15 -1.05 0.00 0.00 178.15 178.16 1pa3 h PHE 100 N 0.22 0.91 0.00 0.16 3.57 -0.78 0.13 116.94 121.16 1pa3 h PHE 100 Ca 0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1pa3 h PHE 100 Cb 0.83 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1pa3 h PHE 100 CO 0.02 0.59 -0.17 0.00 -2.23 0.00 0.00 178.31 176.52 1pa3 h GLY 102 N 0.64 0.84 1.13 0.00 0.00 -0.13 -3.11 103.07 102.44 1pa3 h GLY 102 Ca -0.00 -0.94 0.03 0.00 0.00 0.00 0.00 47.33 46.41 1pa3 h GLY 102 CO 0.02 0.85 0.52 -2.08 0.00 0.00 0.00 176.54 175.85 1pa3 h VAL 103 N 0.52 1.14 -0.69 4.60 2.07 -0.05 -2.36 116.25 121.49 1pa3 h VAL 103 Ca 0.03 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1pa3 h VAL 103 Cb 1.02 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1pa3 h VAL 103 CO 0.10 0.18 0.29 1.56 0.02 0.00 0.00 177.57 179.71 1pa3 h GLN 104 N 0.99 1.02 0.17 1.57 1.08 -1.40 0.13 115.11 118.67 1pa3 h GLN 104 Ca 0.31 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1pa3 h GLN 104 Cb 0.01 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 1pa3 h GLN 104 CO -0.08 0.84 -0.35 -0.44 -0.95 0.00 0.00 178.83 177.84 1pa3 h ASP 105 N 0.97 -1.02 0.57 1.46 5.19 -1.36 0.18 116.42 122.41 1pa3 h ASP 105 Ca 0.23 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.64 1pa3 h ASP 105 Cb 0.19 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1pa3 h ASP 105 CO -0.02 -0.40 -0.49 -0.29 -3.12 0.00 0.00 179.24 174.92 1pa3 h ILE 106 N -0.56 1.28 -0.23 0.35 -0.00 -1.53 -2.35 117.51 114.47 1pa3 h ILE 106 Ca -0.02 -1.73 -0.10 0.00 -0.00 0.00 0.00 64.86 63.01 1pa3 h ILE 106 Cb 0.53 1.95 -0.01 0.00 -0.00 0.00 0.00 36.82 39.29 1pa3 h ILE 106 CO -0.14 0.48 -0.28 -0.74 -0.00 0.00 0.00 178.15 177.47 1pa3 h HIS 107 N 0.00 0.52 0.20 2.19 2.76 -0.48 -0.74 115.15 119.59 1pa3 h HIS 107 Ca -0.00 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.04 1pa3 h HIS 107 Cb 0.91 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1pa3 h HIS 107 CO 0.00 0.70 -0.10 -0.92 -1.30 0.00 0.00 177.93 176.31 1pa3 h TYR 108 N 0.40 -0.25 -0.76 5.26 3.20 -0.69 -1.42 116.97 122.71 1pa3 h TYR 108 Ca 0.05 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.07 1pa3 h TYR 108 Cb 0.70 0.08 -0.14 0.00 1.54 0.00 0.00 36.73 38.91 1pa3 h TYR 108 CO 0.02 0.11 -0.22 0.87 -1.64 0.00 0.00 178.16 177.30 1pa3 h LYS 109 N -0.66 -0.02 -0.28 1.82 6.56 -1.28 0.20 116.57 122.91 1pa3 h LYS 109 Ca -0.03 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.62 1pa3 h LYS 109 Cb 0.47 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.07 1pa3 h LYS 109 CO 0.05 -0.01 -0.11 0.35 -2.06 0.00 0.00 179.45 177.66 1pa3 h PHE 110 N -0.02 -0.26 0.00 -1.35 3.04 -0.93 0.53 116.94 117.95 1pa3 h PHE 110 Ca 0.35 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.33 1pa3 h PHE 110 Cb 0.56 0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.23 1pa3 h PHE 110 CO -0.63 -0.18 0.00 0.09 -2.02 0.00 0.00 178.31 175.58 1pa3 n ASN 111 N -5.28 0.00 -0.21 0.41 4.13 0.53 -2.46 115.26 112.38 1pa3 n ASN 111 Ca -0.00 -1.22 0.06 0.00 1.68 0.00 0.00 54.58 55.10 1pa3 n ASN 111 Cb 0.20 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.55 1pa3 n ASN 111 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1pa3 n ASN 112 N -0.73 2.48 -4.32 6.41 5.15 0.15 -4.97 115.26 119.44 1pa3 n ASN 112 Ca 0.09 -2.60 -0.32 0.00 -0.60 0.00 0.00 54.58 51.15 1pa3 n ASN 112 Cb 0.04 -0.28 -0.15 0.00 -0.53 0.00 0.00 39.78 38.86 1pa3 n ASN 112 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1pa3 s THR 113 N -2.04 2.56 0.24 -0.44 -4.23 -1.02 -5.02 115.64 105.70 1pa3 s THR 113 Ca 0.21 -0.86 -0.21 0.00 -1.18 0.00 0.00 61.69 59.65 1pa3 s THR 113 Cb 0.18 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 72.04 1pa3 s THR 113 CO 0.04 0.55 0.67 0.54 -0.54 0.00 0.00 174.62 175.88 1pa3 s ASN 114 N 0.14 -0.35 0.15 3.99 6.03 -1.26 -4.89 114.94 118.74 1pa3 s ASN 114 Ca -0.10 -0.42 -0.28 0.00 -1.03 0.00 0.00 52.86 51.03 1pa3 s ASN 114 Cb -0.16 0.68 -0.01 0.00 -3.03 0.00 0.00 41.25 38.74 1pa3 s ASN 114 CO 0.06 -1.22 1.56 0.25 -2.03 0.00 0.00 177.10 175.72 1pa3 h LEU 115 N 2.01 -1.57 -1.16 3.54 7.12 -1.99 -1.51 115.31 121.76 1pa3 h LEU 115 Ca -0.24 0.24 0.19 0.00 0.13 0.00 0.00 57.88 58.20 1pa3 h LEU 115 Cb 1.27 0.69 -0.09 0.00 -0.53 0.00 0.00 40.66 41.99 1pa3 h LEU 115 CO 0.28 -0.36 0.61 0.15 -0.13 0.00 0.00 178.44 179.00 1pa3 h PHE 116 N -0.30 0.92 0.00 1.25 3.57 -2.03 0.10 116.94 120.45 1pa3 h PHE 116 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1pa3 h PHE 116 Cb 0.58 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1pa3 h PHE 116 CO -0.69 0.23 0.00 1.63 -2.23 0.00 0.00 178.31 177.25 1pa3 n LYS 117 N -4.67 0.19 -3.93 1.11 5.02 -0.60 -4.88 118.16 110.40 1pa3 n LYS 117 Ca 0.22 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.22 1pa3 n LYS 117 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.12 1pa3 n LYS 117 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pa3 n GLN 118 N -1.40 -4.77 -0.05 1.97 6.02 0.35 -4.85 117.38 114.64 1pa3 n GLN 118 Ca 0.10 0.54 -0.00 0.00 -0.01 0.00 0.00 57.00 57.63 1pa3 n GLN 118 Cb 0.29 -5.25 -0.14 0.00 1.02 0.00 0.00 30.24 26.16 1pa3 n GLN 118 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1pa3 n ASN 119 N -2.87 0.81 -0.34 1.08 2.85 -1.21 -4.68 115.26 110.90 1pa3 n ASN 119 Ca -0.06 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.61 1pa3 n ASN 119 Cb 0.57 1.35 0.43 0.00 1.24 0.00 0.00 39.78 43.37 1pa3 n ASN 119 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1pa3 h GLU 120 N 0.00 0.49 0.12 1.20 5.08 -1.89 -2.99 114.58 116.59 1pa3 h GLU 120 Ca -0.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1pa3 h GLU 120 Cb 1.48 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1pa3 h GLU 120 CO 0.01 0.33 -0.06 1.79 -1.00 0.00 0.00 179.01 180.08 1pa3 h THR 121 N 0.51 1.06 0.00 1.13 1.35 -1.97 -1.89 112.91 113.10 1pa3 h THR 121 Ca 0.64 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1pa3 h THR 121 Cb 1.35 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1pa3 h THR 121 CO -0.43 0.21 0.00 0.71 -0.25 0.00 0.00 175.52 175.77 1pa3 h THR 122 N -0.61 0.00 0.00 6.82 1.35 -1.85 0.15 112.91 118.77 1pa3 h THR 122 Ca -0.02 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.64 1pa3 h THR 122 Cb 0.47 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1pa3 h THR 122 CO 0.03 0.00 -0.39 0.15 -0.25 0.00 0.00 175.52 175.06 1pa3 h PHE 123 N 0.00 0.00 -1.00 4.73 3.57 -1.50 -2.56 116.94 120.18 1pa3 h PHE 123 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1pa3 h PHE 123 Cb 0.23 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 1pa3 h PHE 123 CO 0.00 0.41 0.63 -0.07 -2.23 0.00 0.00 178.31 177.05 1pa3 h LEU 124 N -1.00 0.93 0.00 0.59 -0.00 -1.03 -1.31 115.31 113.49 1pa3 h LEU 124 Ca -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1pa3 h LEU 124 Cb 0.55 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1pa3 h LEU 124 CO -0.04 0.50 -1.00 0.59 -0.00 0.00 0.00 178.44 178.50 1pa3 n ASN 125 N -4.60 0.92 0.08 -0.43 3.02 0.49 -4.50 115.26 110.24 1pa3 n ASN 125 Ca 0.18 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1pa3 n ASN 125 Cb 0.34 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 1pa3 n ASN 125 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pa3 n GLU 126 N -1.53 0.00 -0.08 3.52 1.02 -0.99 -4.79 120.64 117.79 1pa3 n GLU 126 Ca 0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1pa3 n GLU 126 Cb 0.34 -0.31 -0.05 0.00 -0.02 0.00 0.00 31.44 31.40 1pa3 n GLU 126 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pa3 h ASP 127 N 0.00 0.45 0.13 1.62 3.45 -1.28 -2.82 116.42 117.97 1pa3 h ASP 127 Ca 0.00 -0.38 0.01 0.00 0.43 0.00 0.00 57.03 57.09 1pa3 h ASP 127 Cb 0.04 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1pa3 h ASP 127 CO 0.00 0.72 -0.17 0.25 -1.57 0.00 0.00 179.24 178.47 1pa3 h LEU 128 N 0.17 -0.46 -0.37 1.55 6.46 -1.51 -1.29 115.31 119.86 1pa3 h LEU 128 Ca 0.06 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1pa3 h LEU 128 Cb 0.53 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1pa3 h LEU 128 CO 0.02 -0.25 0.17 -0.65 -0.62 0.00 0.00 178.44 177.11 1pa3 h PRO 129 N -0.35 0.54 -0.17 5.25 0.11 -1.79 -0.29 132.00 135.29 1pa3 h PRO 129 Ca 0.01 -0.09 0.05 0.00 0.11 0.00 0.00 66.00 66.09 1pa3 h PRO 129 Cb 0.35 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.30 1pa3 h PRO 129 CO -0.07 0.50 -0.23 -0.22 -0.21 0.00 0.00 178.00 177.77 1pa3 h LYS 130 N 0.46 -0.26 -0.59 1.05 3.64 -1.37 -1.66 116.57 117.84 1pa3 h LYS 130 Ca 0.13 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1pa3 h LYS 130 Cb 0.14 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1pa3 h LYS 130 CO -0.01 -0.17 -0.02 -1.49 -2.27 0.00 0.00 179.45 175.48 1pa3 h TRP 131 N -0.27 1.13 -0.39 1.91 4.06 -1.03 -2.38 115.95 118.98 1pa3 h TRP 131 Ca 0.11 -0.20 0.08 0.00 2.06 0.00 0.00 58.89 60.95 1pa3 h TRP 131 Cb 0.44 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1pa3 h TRP 131 CO -0.35 1.01 0.27 0.77 -3.56 0.00 0.00 178.44 176.58 1pa3 h SER 132 N 0.94 0.15 -0.01 -3.49 0.02 -0.66 0.16 113.55 110.66 1pa3 h SER 132 Ca 0.17 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1pa3 h SER 132 Cb 0.57 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1pa3 h SER 132 CO 0.03 0.09 -0.42 1.23 -1.14 0.00 0.00 176.83 176.62 1pa3 h GLY 133 N 0.17 0.59 1.34 -3.77 0.00 -0.80 -1.24 103.07 99.36 1pa3 h GLY 133 Ca 0.18 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1pa3 h GLY 133 CO -0.03 0.54 0.04 -0.97 0.00 0.00 0.00 176.54 176.12 1pa3 h TYR 134 N 0.44 0.86 -0.15 5.60 0.05 -0.45 -2.27 116.97 121.05 1pa3 h TYR 134 Ca 0.03 -0.11 -0.21 0.00 0.05 0.00 0.00 58.73 58.50 1pa3 h TYR 134 Cb 0.92 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1pa3 h TYR 134 CO 0.04 0.77 -0.73 0.74 -1.05 0.00 0.00 178.16 177.93 1pa3 h PHE 135 N 0.77 0.92 0.09 4.88 0.05 -1.09 -2.69 116.94 119.86 1pa3 h PHE 135 Ca 0.16 -0.39 0.02 0.00 3.82 0.00 0.00 57.97 61.57 1pa3 h PHE 135 Cb 0.41 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.18 1pa3 h PHE 135 CO 0.02 1.20 -0.24 0.93 -0.18 0.00 0.00 178.31 180.05 1pa3 h GLU 136 N 0.48 -0.41 -0.83 1.51 4.39 -1.03 -0.46 114.58 118.23 1pa3 h GLU 136 Ca -0.04 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.86 1pa3 h GLU 136 Cb 1.34 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.97 1pa3 h GLU 136 CO 0.14 -0.27 0.37 0.87 -1.16 0.00 0.00 179.01 178.96 1pa3 h LYS 137 N -0.42 0.47 -0.24 2.33 1.57 -1.41 0.67 116.57 119.54 1pa3 h LYS 137 Ca 0.04 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1pa3 h LYS 137 Cb 0.46 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1pa3 h LYS 137 CO -0.15 0.31 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.71 1pa3 h LEU 138 N 0.48 0.45 -0.21 2.94 3.38 -1.02 -1.01 115.31 120.32 1pa3 h LEU 138 Ca 0.48 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 1pa3 h LEU 138 Cb 0.78 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1pa3 h LEU 138 CO -0.44 0.71 -0.12 -0.07 0.09 0.00 0.00 178.44 178.61 1pa3 h LEU 139 N 0.40 0.47 -0.82 1.67 3.38 0.10 -2.94 115.31 117.57 1pa3 h LEU 139 Ca 0.06 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 57.73 1pa3 h LEU 139 Cb 0.66 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1pa3 h LEU 139 CO 0.05 0.79 0.43 0.11 0.09 0.00 0.00 178.44 179.91 1pa3 h LYS 140 N 0.14 0.64 -0.16 1.13 1.57 0.63 0.43 116.57 120.96 1pa3 h LYS 140 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1pa3 h LYS 140 Cb 0.62 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1pa3 h LYS 140 CO 0.03 0.43 0.02 0.87 -0.57 0.00 0.00 179.45 180.23 1pa3 h LYS 141 N 0.66 0.27 0.00 3.15 1.57 -1.15 -2.75 116.57 118.32 1pa3 h LYS 141 Ca 0.43 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1pa3 h LYS 141 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1pa3 h LYS 141 CO -0.32 0.46 0.00 -1.71 -0.57 0.00 0.00 179.45 177.31 1pa3 n ASN 142 N -4.78 0.00 -0.45 0.86 5.15 -0.99 -5.13 115.26 109.92 1pa3 n ASN 142 Ca -0.05 0.46 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1pa3 n ASN 142 Cb 0.19 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1pa3 n ASN 142 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pa3 n HIS 143 N -1.49 0.00 0.00 1.20 1.44 0.15 -4.97 115.22 111.56 1pa3 n HIS 143 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1pa3 n HIS 143 Cb 0.31 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.27 1pa3 n HIS 143 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1pa3 n LYS 150 N 0.20 0.00 -1.12 -1.40 4.76 -1.26 -4.67 118.16 114.67 1pa3 n LYS 150 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pa3 n LYS 150 Cb 0.00 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 1pa3 n LYS 150 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pa3 n TYR 151 N -0.02 0.00 -4.02 2.13 4.01 -1.26 -4.97 117.16 113.03 1pa3 n TYR 151 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1pa3 n TYR 151 Cb 0.00 -1.12 -0.11 0.00 -0.31 0.00 0.00 39.34 37.79 1pa3 n TYR 151 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1pa3 s TYR 152 N 0.00 0.46 0.08 -0.72 2.02 -1.26 -4.94 117.35 112.98 1pa3 s TYR 152 Ca 0.00 -0.47 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 1pa3 s TYR 152 Cb 0.00 -0.29 -0.23 0.00 -0.40 0.00 0.00 41.96 41.04 1pa3 s TYR 152 CO 0.00 -0.12 1.17 0.74 -1.57 0.00 0.00 175.55 175.76 1pa3 h PHE 153 N 4.70 0.84 -3.86 2.71 -1.00 -1.92 -3.46 116.94 114.95 1pa3 h PHE 153 Ca -0.33 -0.52 -0.56 0.00 2.81 0.00 0.00 57.97 59.37 1pa3 h PHE 153 Cb 1.21 -0.07 -0.31 0.00 3.61 0.00 0.00 35.95 40.38 1pa3 h PHE 153 CO 0.63 1.36 -0.83 0.08 -1.61 0.00 0.00 178.31 177.94 1pa3 s VAL 154 N -3.03 1.40 0.00 -0.55 1.01 -1.26 -4.77 120.40 113.20 1pa3 s VAL 154 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1pa3 s VAL 154 Cb 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1pa3 s VAL 154 CO 0.91 0.41 0.00 0.61 0.00 0.00 0.00 175.10 177.02 1pa3 n GLY 155 N 3.20 1.65 0.03 4.51 0.00 -1.26 -4.03 105.19 109.28 1pa3 n GLY 155 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1pa3 n GLY 155 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pa3 n ASN 156 N -1.16 1.30 -4.25 1.61 0.23 -1.26 -4.84 115.26 106.89 1pa3 n ASN 156 Ca 0.00 -1.26 -0.15 0.00 -0.53 0.00 0.00 54.58 52.64 1pa3 n ASN 156 Cb 0.00 -0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.59 1pa3 n ASN 156 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1pa3 s ASN 157 N -0.28 1.84 0.48 0.53 3.04 -1.26 -5.01 114.94 114.28 1pa3 s ASN 157 Ca 0.01 -0.98 -0.24 0.00 0.04 0.00 0.00 52.86 51.69 1pa3 s ASN 157 Cb 0.01 -0.02 -0.08 0.00 -1.54 0.00 0.00 41.25 39.62 1pa3 s ASN 157 CO 0.01 -0.30 1.33 -0.11 -3.04 0.00 0.00 177.10 174.99 1pa3 n LEU 158 N -0.07 4.78 -4.18 3.21 0.00 -1.26 -4.77 117.00 114.71 1pa3 n LEU 158 Ca -0.11 1.06 -0.11 0.00 0.00 0.00 0.00 56.01 56.84 1pa3 n LEU 158 Cb 0.60 -1.55 -0.10 0.00 0.00 0.00 0.00 43.42 42.37 1pa3 n LEU 158 CO 0.31 -0.55 -0.24 0.42 0.00 0.00 0.00 177.39 177.33 1pa3 s THR 159 N -1.24 0.02 -0.15 1.96 -4.23 -1.26 -4.75 115.64 105.99 1pa3 s THR 159 Ca 0.65 -1.96 0.24 0.00 -1.18 0.00 0.00 61.69 59.44 1pa3 s THR 159 Cb -0.46 -2.38 0.25 0.00 1.34 0.00 0.00 72.50 71.24 1pa3 s THR 159 CO 0.55 -0.11 1.74 0.10 -0.54 0.00 0.00 174.62 176.36 1pa3 h TYR 160 N 2.67 0.00 -0.35 3.99 -0.00 -1.21 -1.29 116.97 120.78 1pa3 h TYR 160 Ca -0.36 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.21 1pa3 h TYR 160 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.96 1pa3 h TYR 160 CO 0.37 0.00 -0.43 0.00 -0.00 0.00 0.00 178.16 178.10 1pa3 h ALA 161 N 2.04 0.58 -0.80 0.10 0.00 -1.85 -0.73 119.26 118.61 1pa3 h ALA 161 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1pa3 h ALA 161 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1pa3 h ALA 161 CO 0.00 0.68 0.35 -0.44 0.00 0.00 0.00 179.25 179.83 1pa3 h ASP 162 N 0.71 1.07 -0.27 0.00 3.32 -1.64 -1.05 116.42 118.56 1pa3 h ASP 162 Ca 0.05 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 1pa3 h ASP 162 Cb 1.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1pa3 h ASP 162 CO 0.10 0.93 -0.39 -0.07 -1.72 0.00 0.00 179.24 178.09 1pa3 h LEU 163 N 1.14 0.88 -0.35 1.55 3.38 -1.47 -2.03 115.31 118.41 1pa3 h LEU 163 Ca 0.27 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1pa3 h LEU 163 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1pa3 h LEU 163 CO -0.03 1.16 -0.04 0.00 0.09 0.00 0.00 178.44 179.62 1pa3 h ALA 164 N 0.88 0.48 -0.11 1.53 0.00 -0.85 0.83 119.26 122.02 1pa3 h ALA 164 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1pa3 h ALA 164 Cb 0.96 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pa3 h ALA 164 CO 0.09 0.29 0.06 0.28 0.00 0.00 0.00 179.25 179.97 1pa3 h VAL 165 N 0.45 1.09 0.18 0.00 2.07 -1.21 0.80 116.25 119.64 1pa3 h VAL 165 Ca 0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1pa3 h VAL 165 Cb 0.53 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1pa3 h VAL 165 CO 0.03 0.08 -0.35 0.15 0.02 0.00 0.00 177.57 177.50 1pa3 h PHE 166 N 0.07 -0.98 -1.05 1.57 3.04 -1.23 -1.80 116.94 116.56 1pa3 h PHE 166 Ca 0.04 0.02 0.29 0.00 3.98 0.00 0.00 57.97 62.29 1pa3 h PHE 166 Cb 0.08 0.41 -0.12 0.00 2.56 0.00 0.00 35.95 38.88 1pa3 h PHE 166 CO -0.04 -0.42 0.65 -0.97 -2.02 0.00 0.00 178.31 175.51 1pa3 h ASN 167 N -0.57 0.51 0.39 0.41 -1.24 -0.70 -1.39 115.58 112.98 1pa3 h ASN 167 Ca -0.02 0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 1pa3 h ASN 167 Cb 0.54 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1pa3 h ASN 167 CO -0.13 0.03 -0.29 0.25 -1.29 0.00 0.00 177.43 176.00 1pa3 h LEU 168 N 0.41 -0.75 -1.22 0.34 5.85 0.03 -1.91 115.31 118.05 1pa3 h LEU 168 Ca 0.66 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 59.37 1pa3 h LEU 168 Cb 1.56 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1pa3 h LEU 168 CO -0.41 -0.44 -0.27 1.88 -0.34 0.00 0.00 178.44 178.86 1pa3 h TYR 169 N -0.68 0.00 0.00 1.25 -1.99 -0.96 -1.74 116.97 112.85 1pa3 h TYR 169 Ca -0.04 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 1pa3 h TYR 169 Cb 0.58 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 1pa3 h TYR 169 CO -0.13 0.27 -0.53 0.22 -0.00 0.00 0.00 178.16 177.98 1pa3 h ASP 170 N 0.00 0.00 0.17 3.88 3.58 -1.05 -1.43 116.42 121.58 1pa3 h ASP 170 Ca -0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1pa3 h ASP 170 Cb 0.71 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.79 1pa3 h ASP 170 CO 0.04 0.53 -1.01 -0.78 -2.88 0.00 0.00 179.24 175.14 1pa3 h ASP 171 N 0.00 0.59 -0.33 2.28 3.58 -1.03 -3.30 116.42 118.21 1pa3 h ASP 171 Ca -0.01 -0.94 0.02 0.00 0.42 0.00 0.00 57.03 56.53 1pa3 h ASP 171 Cb 1.00 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 1pa3 h ASP 171 CO 0.07 1.49 0.17 0.40 -2.88 0.00 0.00 179.24 178.48 1pa3 h ILE 172 N -0.21 0.99 0.00 2.25 2.04 -1.20 -2.20 117.51 119.18 1pa3 h ILE 172 Ca -0.18 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1pa3 h ILE 172 Cb 1.79 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1pa3 h ILE 172 CO 0.19 0.06 0.00 -0.62 0.00 0.00 0.00 178.15 177.78 1pa3 n GLU 173 N -4.94 0.05 0.23 2.37 1.02 -0.55 -1.29 120.64 117.53 1pa3 n GLU 173 Ca 0.00 0.45 0.14 0.00 -0.02 0.00 0.00 57.16 57.73 1pa3 n GLU 173 Cb 0.08 -1.64 0.38 0.00 -0.02 0.00 0.00 31.44 30.23 1pa3 n GLU 173 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1pa3 h THR 174 N 0.00 0.00 0.00 2.62 1.35 -1.47 -3.34 112.91 112.07 1pa3 h THR 174 Ca 0.00 -0.77 -0.33 0.00 -0.55 0.00 0.00 66.41 64.75 1pa3 h THR 174 Cb 0.11 1.77 -0.05 0.00 -1.73 0.00 0.00 68.15 68.25 1pa3 h THR 174 CO 0.00 0.00 -2.12 0.29 -0.25 0.00 0.00 175.52 173.44 1pa3 n LYS 175 N -3.03 0.43 -4.28 4.72 4.76 -0.41 -5.06 118.16 115.30 1pa3 n LYS 175 Ca 0.03 0.18 -0.26 0.00 -2.87 0.00 0.00 58.31 55.40 1pa3 n LYS 175 Cb 0.44 -1.22 -0.08 0.00 -1.84 0.00 0.00 35.03 32.32 1pa3 n LYS 175 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1pa3 s TYR 176 N -2.37 2.69 0.80 2.13 4.12 -0.46 -5.11 117.35 119.15 1pa3 s TYR 176 Ca -0.28 -0.20 -0.14 0.00 0.02 0.00 0.00 57.07 56.47 1pa3 s TYR 176 Cb 0.11 -1.27 0.08 0.00 -1.52 0.00 0.00 41.96 39.35 1pa3 s TYR 176 CO 0.36 0.55 1.21 -1.25 0.02 0.00 0.00 175.55 176.44 1pa3 s PRO 177 N -3.12 1.67 -0.76 -1.71 0.04 -1.26 -4.14 135.00 125.73 1pa3 s PRO 177 Ca 0.27 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 1pa3 s PRO 177 Cb -0.08 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1pa3 s PRO 177 CO 0.17 -2.20 1.79 -1.12 0.04 0.00 0.00 177.00 175.69 1pa3 s SER 178 N -2.09 5.42 0.00 6.66 0.01 -1.26 -4.84 113.70 117.59 1pa3 s SER 178 Ca 0.74 -0.23 0.28 0.00 1.31 0.00 0.00 55.95 58.05 1pa3 s SER 178 Cb -0.30 -2.55 1.61 0.00 0.21 0.00 0.00 66.02 65.00 1pa3 s SER 178 CO 0.50 -2.38 2.00 -1.54 0.41 0.00 0.00 173.24 172.24 1pa3 n SER 179 N 12.50 0.00 0.00 2.44 3.41 -1.26 -4.13 113.62 126.58 1pa3 n SER 179 Ca 0.26 -0.71 0.05 0.00 -0.26 0.00 0.00 58.87 58.21 1pa3 n SER 179 Cb 0.50 -0.06 0.28 0.00 -0.26 0.00 0.00 64.21 64.67 1pa3 n SER 179 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pa3 n LEU 180 N -1.06 0.00 -0.23 1.04 4.77 -1.26 -3.82 117.00 116.44 1pa3 n LEU 180 Ca 0.19 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1pa3 n LEU 180 Cb 0.12 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1pa3 n LEU 180 CO 0.17 0.00 1.03 0.11 -1.33 0.00 0.00 177.39 177.36 1pa3 h LYS 181 N 0.00 0.48 0.00 3.23 1.57 -2.01 -1.66 116.57 118.18 1pa3 h LYS 181 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pa3 h LYS 181 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1pa3 h LYS 181 CO 0.00 0.32 0.00 0.09 -0.57 0.00 0.00 179.45 179.29 1pa3 n ASN 182 N -4.94 0.00 -3.90 0.86 3.02 -1.25 -4.32 115.26 104.74 1pa3 n ASN 182 Ca 0.10 0.40 -0.28 0.00 -0.03 0.00 0.00 54.58 54.77 1pa3 n ASN 182 Cb 0.29 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 38.87 1pa3 n ASN 182 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pa3 s PHE 183 N -2.92 3.46 0.19 3.10 0.40 -0.62 -4.98 117.98 116.60 1pa3 s PHE 183 Ca 0.13 -3.29 -0.13 0.00 -0.60 0.00 0.00 56.93 53.04 1pa3 s PHE 183 Cb 0.15 -2.69 0.21 0.00 0.51 0.00 0.00 43.02 41.20 1pa3 s PHE 183 CO 0.41 -0.58 1.69 -1.00 0.70 0.00 0.00 175.22 176.44 1pa3 h PRO 184 N 5.60 0.15 -0.39 0.24 0.13 -1.75 -0.88 132.00 135.10 1pa3 h PRO 184 Ca 0.11 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.11 1pa3 h PRO 184 Cb 0.78 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1pa3 h PRO 184 CO 0.71 0.10 -0.25 -0.07 -0.23 0.00 0.00 178.00 178.25 1pa3 h LEU 185 N 0.15 0.81 -0.66 1.56 3.38 -1.93 -0.43 115.31 118.19 1pa3 h LEU 185 Ca 0.26 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1pa3 h LEU 185 Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1pa3 h LEU 185 CO -0.41 1.03 -0.46 0.25 0.09 0.00 0.00 178.44 178.94 1pa3 h LEU 186 N 0.68 0.53 -0.28 1.67 5.85 -1.88 -0.28 115.31 121.60 1pa3 h LEU 186 Ca 0.09 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1pa3 h LEU 186 Cb 0.78 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1pa3 h LEU 186 CO 0.06 0.91 -0.09 0.50 -0.34 0.00 0.00 178.44 179.49 1pa3 h LYS 187 N 0.39 0.56 -0.20 1.25 3.64 -1.00 -1.95 116.57 119.26 1pa3 h LYS 187 Ca 0.02 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1pa3 h LYS 187 Cb 0.96 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1pa3 h LYS 187 CO 0.08 0.77 0.05 0.00 -2.27 0.00 0.00 179.45 178.09 1pa3 h ALA 188 N 0.77 0.26 -0.62 5.00 0.00 -0.93 -1.58 119.26 122.17 1pa3 h ALA 188 Ca 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1pa3 h ALA 188 Cb 0.58 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1pa3 h ALA 188 CO 0.03 -0.09 0.35 1.25 0.00 0.00 0.00 179.25 180.78 1pa3 h HIS 189 N 0.14 0.64 -0.26 0.00 -0.00 -1.05 0.32 115.15 114.94 1pa3 h HIS 189 Ca 0.06 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 1pa3 h HIS 189 Cb 0.26 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1pa3 h HIS 189 CO 0.01 0.32 0.07 -0.97 -0.00 0.00 0.00 177.93 177.37 1pa3 h ASN 190 N 0.66 0.07 -0.39 3.26 -1.24 -1.15 -1.99 115.58 114.80 1pa3 h ASN 190 Ca 0.27 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.22 1pa3 h ASN 190 Cb 0.13 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1pa3 h ASN 190 CO -0.16 0.07 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.66 1pa3 h GLU 191 N 0.18 0.82 0.06 6.67 5.08 -0.62 -2.46 114.58 124.31 1pa3 h GLU 191 Ca 0.11 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1pa3 h GLU 191 Cb 0.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1pa3 h GLU 191 CO -0.13 0.86 -0.03 0.35 -1.00 0.00 0.00 179.01 179.07 1pa3 h PHE 192 N 0.75 -0.07 0.00 4.33 3.57 -0.02 -2.24 116.94 123.26 1pa3 h PHE 192 Ca 0.13 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1pa3 h PHE 192 Cb 0.54 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1pa3 h PHE 192 CO 0.03 0.13 -0.16 -0.84 -2.23 0.00 0.00 178.31 175.24 1pa3 h ILE 193 N -0.26 0.38 0.00 1.41 3.07 -1.36 -2.02 117.51 118.73 1pa3 h ILE 193 Ca -0.01 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 65.41 1pa3 h ILE 193 Cb 0.23 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 1pa3 h ILE 193 CO 0.01 0.16 0.00 0.77 -1.05 0.00 0.00 178.15 178.04 1pa3 h SER 194 N 0.00 0.00 0.52 2.16 4.64 -1.23 -2.82 113.55 116.82 1pa3 h SER 194 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pa3 h SER 194 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1pa3 h SER 194 CO 0.02 0.00 -0.63 0.59 -0.87 0.00 0.00 176.83 175.94 1pa3 n ASN 195 N -2.75 0.58 -4.67 4.97 5.03 -0.77 -3.80 115.26 113.85 1pa3 n ASN 195 Ca 0.02 -0.23 -0.47 0.00 0.87 0.00 0.00 54.58 54.77 1pa3 n ASN 195 Cb 0.35 0.36 -0.04 0.00 -1.02 0.00 0.00 39.78 39.42 1pa3 n ASN 195 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1pa3 n LEU 196 N -1.67 3.30 -0.32 3.41 4.77 -1.07 -4.76 117.00 120.67 1pa3 n LEU 196 Ca 0.05 1.03 0.11 0.00 -0.03 0.00 0.00 56.01 57.16 1pa3 n LEU 196 Cb 0.37 -1.41 0.23 0.00 -2.33 0.00 0.00 43.42 40.28 1pa3 n LEU 196 CO 0.36 -0.16 0.80 1.55 -1.33 0.00 0.00 177.39 178.61 1pa3 h PRO 197 N 7.54 0.05 -0.51 3.23 0.13 -1.90 0.13 132.00 140.66 1pa3 h PRO 197 Ca -0.47 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1pa3 h PRO 197 Cb 1.26 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1pa3 h PRO 197 CO 0.92 0.03 -0.11 -0.91 -0.23 0.00 0.00 178.00 177.70 1pa3 h ASN 198 N 0.05 0.98 0.05 1.44 -0.26 -1.89 -2.68 115.58 113.27 1pa3 h ASN 198 Ca 0.53 -0.35 -0.27 0.00 -0.56 0.00 0.00 56.30 55.64 1pa3 h ASN 198 Cb 1.02 -0.27 0.02 0.00 -1.06 0.00 0.00 38.32 38.03 1pa3 h ASN 198 CO -0.84 1.11 -1.09 0.16 -1.06 0.00 0.00 177.43 175.71 1pa3 h ILE 199 N 0.84 1.28 -0.92 2.81 -0.00 -1.67 -3.25 117.51 116.61 1pa3 h ILE 199 Ca 0.13 -2.31 0.21 0.00 -0.00 0.00 0.00 64.86 62.89 1pa3 h ILE 199 Cb 0.67 2.46 -0.07 0.00 -0.00 0.00 0.00 36.82 39.88 1pa3 h ILE 199 CO 0.05 0.71 0.61 0.50 -0.00 0.00 0.00 178.15 180.01 1pa3 h LYS 200 N 0.36 0.40 -0.27 0.16 3.64 -0.72 -0.63 116.57 119.53 1pa3 h LYS 200 Ca -0.14 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.05 1pa3 h LYS 200 Cb 1.75 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1pa3 h LYS 200 CO 0.21 0.27 -0.46 -0.91 -2.27 0.00 0.00 179.45 176.29 1pa3 h ASN 201 N 0.42 0.87 -0.23 4.20 -0.26 -1.51 -2.82 115.58 116.24 1pa3 h ASN 201 Ca 0.48 -0.53 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 1pa3 h ASN 201 Cb 1.19 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 38.19 1pa3 h ASN 201 CO -0.19 1.23 0.11 0.22 -1.06 0.00 0.00 177.43 177.74 1pa3 h TYR 202 N 0.53 0.33 -0.20 1.19 5.03 -1.21 -2.34 116.97 120.30 1pa3 h TYR 202 Ca 0.02 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.36 1pa3 h TYR 202 Cb 1.06 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.19 1pa3 h TYR 202 CO 0.08 0.33 -0.13 0.82 -1.32 0.00 0.00 178.16 177.93 1pa3 h ILE 203 N 0.24 0.62 -0.18 1.81 1.08 -1.21 -2.06 117.51 117.81 1pa3 h ILE 203 Ca 0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.55 1pa3 h ILE 203 Cb 0.12 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1pa3 h ILE 203 CO -0.01 0.00 0.11 0.71 -0.69 0.00 0.00 178.15 178.27 1pa3 h THR 204 N -0.12 1.06 -1.31 -0.27 1.35 -1.37 -2.70 112.91 109.55 1pa3 h THR 204 Ca 0.12 -0.14 -0.61 0.00 -0.55 0.00 0.00 66.41 65.23 1pa3 h THR 204 Cb 0.30 0.81 -0.23 0.00 -1.73 0.00 0.00 68.15 67.29 1pa3 h THR 204 CO -0.28 0.06 0.75 0.59 -0.25 0.00 0.00 175.52 176.39 1pa3 n ASN 205 N -4.49 7.13 -0.57 5.36 3.02 -0.78 -5.12 115.26 119.81 1pa3 n ASN 205 Ca -0.00 -3.54 0.07 0.00 -0.03 0.00 0.00 54.58 51.08 1pa3 n ASN 205 Cb 0.09 -1.10 0.06 0.00 -0.61 0.00 0.00 39.78 38.22 1pa3 n ASN 205 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50