#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p s ALA 2 N 0.00 3.82 0.11 3.04 0.00 -1.26 -5.13 121.76 122.33 1r9p s ALA 2 Ca 0.00 -1.95 -0.25 0.00 0.00 0.00 0.00 51.96 49.77 1r9p s ALA 2 Cb 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.44 1r9p s ALA 2 CO 0.00 -0.16 1.12 -0.47 0.00 0.00 0.00 175.76 176.25 1r9p s TYR 3 N -2.50 0.03 0.52 0.00 5.04 -1.26 -5.16 117.35 114.02 1r9p s TYR 3 Ca 0.44 -0.32 -0.08 0.00 -2.44 0.00 0.00 57.07 54.68 1r9p s TYR 3 Cb -0.01 0.64 0.12 0.00 0.35 0.00 0.00 41.96 43.06 1r9p s TYR 3 CO 0.25 -0.69 0.26 0.45 -1.34 0.00 0.00 175.55 174.49 1r9p n SER 4 N -1.02 -2.32 -0.26 4.32 2.88 -1.26 -4.75 113.62 111.22 1r9p n SER 4 Ca -0.02 -0.27 0.07 0.00 -1.33 0.00 0.00 58.87 57.32 1r9p n SER 4 Cb 0.60 -0.38 0.20 0.00 -0.75 0.00 0.00 64.21 63.88 1r9p n SER 4 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1r9p h GLU 5 N 0.00 0.19 0.00 -1.46 4.81 -2.02 -3.45 114.58 112.65 1r9p h GLU 5 Ca -0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1r9p h GLU 5 Cb 0.41 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1r9p h GLU 5 CO 0.07 0.13 0.00 1.63 -0.73 0.00 0.00 179.01 180.11 1r9p n LYS 6 N -5.24 0.00 0.00 1.92 5.02 -1.26 -5.06 118.16 113.54 1r9p n LYS 6 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1r9p n LYS 6 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1r9p n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 7 N -0.01 0.00 -4.65 -0.18 0.31 -1.26 -5.08 118.33 107.46 1r9p n VAL 7 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1r9p n VAL 7 Cb 0.00 -0.46 -0.13 0.00 -0.91 0.00 0.00 33.84 32.34 1r9p n VAL 7 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1r9p s ILE 8 N -1.80 2.83 -0.24 2.52 -4.36 -1.26 -5.11 121.20 113.78 1r9p s ILE 8 Ca 0.00 -1.17 -0.02 0.00 -0.26 0.00 0.00 60.65 59.20 1r9p s ILE 8 Cb 0.00 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1r9p s ILE 8 CO 0.00 0.34 -0.05 -1.81 0.24 0.00 0.00 174.94 173.66 1r9p s ASP 9 N -1.44 4.31 0.05 4.36 1.01 -1.26 -4.91 116.67 118.78 1r9p s ASP 9 Ca 0.15 -0.73 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1r9p s ASP 9 Cb -0.11 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.13 1r9p s ASP 9 CO 0.05 -0.10 0.00 1.57 0.21 0.00 0.00 175.17 176.90 1r9p n HIS 10 N 4.72 -4.39 -2.01 4.23 -0.00 -1.26 -4.74 115.22 111.76 1r9p n HIS 10 Ca -0.17 2.62 -0.42 0.00 0.46 0.00 0.00 57.72 60.20 1r9p n HIS 10 Cb 0.48 -3.52 -0.03 0.00 -0.12 0.00 0.00 29.99 26.80 1r9p n HIS 10 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 1r9p s TYR 11 N -0.53 1.96 0.32 1.57 6.14 -1.26 -4.94 117.35 120.61 1r9p s TYR 11 Ca 0.00 0.27 -0.29 0.00 0.64 0.00 0.00 57.07 57.69 1r9p s TYR 11 Cb 0.00 -3.94 -0.11 0.00 0.42 0.00 0.00 41.96 38.33 1r9p s TYR 11 CO 0.00 -3.70 1.55 -1.21 0.64 0.00 0.00 175.55 172.83 1r9p s GLU 12 N 4.27 4.13 -0.44 4.97 2.02 -1.26 -4.93 118.70 127.45 1r9p s GLU 12 Ca 0.74 2.56 0.07 0.00 0.02 0.00 0.00 54.97 58.37 1r9p s GLU 12 Cb -0.32 -3.01 0.32 0.00 0.10 0.00 0.00 34.13 31.23 1r9p s GLU 12 CO 0.30 -0.59 1.02 -1.71 0.02 0.00 0.00 175.26 174.30 1r9p n ASN 13 N 1.59 -1.71 -4.77 -0.19 4.05 -1.26 -5.14 115.26 107.82 1r9p n ASN 13 Ca 0.06 -3.53 -0.30 0.00 0.45 0.00 0.00 54.58 51.25 1r9p n ASN 13 Cb 0.38 1.39 0.11 0.00 1.23 0.00 0.00 39.78 42.89 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1r9p s PRO 14 N -0.26 1.74 -0.03 1.20 0.04 -1.26 -4.85 135.00 131.58 1r9p s PRO 14 Ca 0.26 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.02 1r9p s PRO 14 Cb 0.30 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.83 1r9p s PRO 14 CO -0.07 -1.89 2.09 -2.13 0.04 0.00 0.00 177.00 175.05 1r9p n ARG 15 N -3.63 1.05 -1.16 4.56 0.63 -1.26 -4.86 116.66 112.00 1r9p n ARG 15 Ca 0.07 -0.54 0.12 0.00 -0.92 0.00 0.00 57.85 56.58 1r9p n ARG 15 Cb 0.56 -1.78 -0.06 0.00 0.45 0.00 0.00 32.46 31.62 1r9p n ARG 15 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1r9p n ASN 16 N 2.80 -5.44 0.00 6.15 5.15 -1.26 -4.96 115.26 117.70 1r9p n ASN 16 Ca 0.23 0.97 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 1r9p n ASN 16 Cb 0.46 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 35.82 1r9p n ASN 16 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1r9p n VAL 17 N -3.89 0.00 0.00 3.44 0.31 -1.26 -5.14 118.33 111.79 1r9p n VAL 17 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1r9p n VAL 17 Cb 0.49 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 1r9p n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r9p n GLY 18 N 3.53 2.96 3.49 2.92 0.00 -1.26 -5.13 105.19 111.70 1r9p n GLY 18 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1r9p n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 19 N 0.00 -1.42 0.00 1.61 2.88 -1.26 -5.04 113.62 110.39 1r9p n SER 19 Ca 0.00 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1r9p n SER 19 Cb 0.00 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 1r9p n SER 19 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1r9p n LEU 20 N -4.45 0.00 -0.13 2.46 4.77 -1.26 -4.93 117.00 113.46 1r9p n LEU 20 Ca 0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1r9p n LEU 20 Cb 0.54 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1r9p n LEU 20 CO 0.55 0.00 0.54 0.47 -1.33 0.00 0.00 177.39 177.62 1r9p n ASP 21 N 0.00 0.37 0.00 -1.43 9.92 -1.26 -4.84 116.55 119.30 1r9p n ASP 21 Ca 0.00 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.29 1r9p n ASP 21 Cb 0.00 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1r9p n ASP 21 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1r9p n LYS 22 N -0.31 0.00 -0.53 -1.24 4.81 -1.26 -4.58 118.16 115.05 1r9p n LYS 22 Ca 0.03 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.42 1r9p n LYS 22 Cb 0.06 -0.64 -0.06 0.00 0.02 0.00 0.00 35.03 34.40 1r9p n LYS 22 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1r9p n LYS 23 N 0.00 1.06 -4.51 1.64 4.81 -1.26 -4.75 118.16 115.15 1r9p n LYS 23 Ca 0.00 -0.37 -0.21 0.00 -0.87 0.00 0.00 58.31 56.86 1r9p n LYS 23 Cb 0.00 -1.53 -0.15 0.00 0.02 0.00 0.00 35.03 33.37 1r9p n LYS 23 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1r9p s ASP 24 N 2.17 1.37 0.00 3.14 1.01 -1.26 -4.99 116.67 118.11 1r9p s ASP 24 Ca 0.25 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1r9p s ASP 24 Cb 0.12 -0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.87 1r9p s ASP 24 CO 0.00 0.14 0.61 -1.54 0.21 0.00 0.00 175.17 174.58 1r9p n SER 25 N 2.85 0.22 -0.52 0.27 3.41 -1.26 -2.66 113.62 115.93 1r9p n SER 25 Ca -0.14 -1.44 0.08 0.00 -0.26 0.00 0.00 58.87 57.10 1r9p n SER 25 Cb 0.56 -0.11 0.19 0.00 -0.26 0.00 0.00 64.21 64.59 1r9p n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1r9p n ASN 26 N -0.30 2.80 -3.53 4.04 6.94 -1.26 -4.89 115.26 119.05 1r9p n ASN 26 Ca 0.00 -3.23 -0.25 0.00 -0.02 0.00 0.00 54.58 51.08 1r9p n ASN 26 Cb 0.06 -0.50 -0.15 0.00 -2.36 0.00 0.00 39.78 36.83 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1r9p s VAL 27 N -2.94 -0.15 -0.06 3.53 1.01 -1.09 -2.16 120.40 118.55 1r9p s VAL 27 Ca 0.37 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1r9p s VAL 27 Cb 0.32 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1r9p s VAL 27 CO 0.04 -0.52 0.25 -0.83 0.00 0.00 0.00 175.10 174.04 1r9p s GLY 28 N 2.17 2.28 0.11 4.51 0.00 -0.99 -4.73 107.32 110.67 1r9p s GLY 28 Ca 0.07 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.37 1r9p s GLY 28 CO -0.26 -0.21 -0.17 -1.59 0.00 0.00 0.00 173.10 170.86 1r9p s THR 29 N -1.10 1.50 -0.26 0.90 2.01 -1.26 -2.16 115.64 115.27 1r9p s THR 29 Ca 0.20 -1.60 -0.12 0.00 0.31 0.00 0.00 61.69 60.49 1r9p s THR 29 Cb -0.14 -1.49 0.09 0.00 0.01 0.00 0.00 72.50 70.98 1r9p s THR 29 CO 0.09 -0.23 0.60 -0.83 -0.69 0.00 0.00 174.62 173.57 1r9p s GLY 30 N -2.14 -0.59 -0.01 4.40 0.00 -0.64 -3.72 107.32 104.62 1r9p s GLY 30 Ca 0.07 2.16 0.07 0.00 0.00 0.00 0.00 44.72 47.02 1r9p s GLY 30 CO 0.04 2.52 -0.21 -0.29 0.00 0.00 0.00 173.10 175.16 1r9p s MET 31 N 2.14 1.69 0.13 2.90 0.00 -1.26 -0.75 119.30 124.15 1r9p s MET 31 Ca -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 55.69 54.82 1r9p s MET 31 Cb -0.09 -1.65 -0.03 0.00 0.00 0.00 0.00 34.83 33.06 1r9p s MET 31 CO -0.18 0.45 0.09 0.14 0.00 0.00 0.00 175.02 175.53 1r9p s VAL 32 N -0.52 0.10 0.13 10.11 -7.23 -0.95 -5.01 120.40 117.03 1r9p s VAL 32 Ca 0.08 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 1r9p s VAL 32 Cb -0.08 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.90 1r9p s VAL 32 CO -0.01 -0.46 0.37 -0.83 -0.31 0.00 0.00 175.10 173.87 1r9p s GLY 33 N -3.03 -0.16 0.02 2.32 0.00 -1.26 -0.43 107.32 104.79 1r9p s GLY 33 Ca 0.22 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.77 1r9p s GLY 33 CO 0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 173.10 172.62 1r9p s ALA 34 N -3.83 0.64 -0.07 3.20 0.00 -0.73 -4.96 121.76 116.01 1r9p s ALA 34 Ca 0.05 -0.58 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 1r9p s ALA 34 Cb 0.02 -0.06 -0.22 0.00 0.00 0.00 0.00 23.12 22.86 1r9p s ALA 34 CO -0.10 0.07 1.07 -1.00 0.00 0.00 0.00 175.76 175.80 1r9p h PRO 35 N 5.15 -0.01 -0.48 0.00 0.13 -1.94 0.82 132.00 135.66 1r9p h PRO 35 Ca -0.33 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.89 1r9p h PRO 35 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1r9p h PRO 35 CO 0.45 0.65 -0.02 0.00 -0.23 0.00 0.00 178.00 178.85 1r9p h ALA 36 N 0.29 0.43 -0.02 -0.56 0.00 -1.99 0.07 119.26 117.48 1r9p h ALA 36 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r9p h ALA 36 Cb 0.67 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1r9p h ALA 36 CO 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 179.25 178.67 1r9p n GLY 38 N 1.31 -0.28 3.46 0.00 0.00 0.28 -4.56 105.19 105.41 1r9p n GLY 38 Ca 0.14 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1r9p n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r9p s ASP 39 N -3.18 3.66 -0.41 1.61 -1.08 -1.04 -4.91 116.67 111.31 1r9p s ASP 39 Ca 0.53 -0.80 -0.02 0.00 -0.52 0.00 0.00 52.55 51.74 1r9p s ASP 39 Cb -0.31 -0.38 0.11 0.00 -1.46 0.00 0.00 42.92 40.88 1r9p s ASP 39 CO 0.85 0.11 0.21 -0.69 0.52 0.00 0.00 175.17 176.17 1r9p s VAL 40 N -1.71 3.25 -0.65 1.11 1.01 -1.26 -1.77 120.40 120.38 1r9p s VAL 40 Ca 0.22 -2.11 -0.26 0.00 0.00 0.00 0.00 61.98 59.83 1r9p s VAL 40 Cb -0.08 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1r9p s VAL 40 CO 0.11 -0.69 1.16 -0.32 0.00 0.00 0.00 175.10 175.36 1r9p s MET 41 N 1.08 3.31 0.01 2.72 1.75 0.43 -4.51 119.30 124.09 1r9p s MET 41 Ca 0.09 -0.15 -0.17 0.00 -1.25 0.00 0.00 55.69 54.21 1r9p s MET 41 Cb -0.23 -4.11 -0.06 0.00 2.84 0.00 0.00 34.83 33.28 1r9p s MET 41 CO -0.04 -1.85 0.46 -1.14 -0.65 0.00 0.00 175.02 171.80 1r9p s GLN 42 N 4.98 4.05 -0.06 4.11 0.74 -0.04 -2.23 119.66 131.22 1r9p s GLN 42 Ca 0.35 0.52 0.00 0.00 0.05 0.00 0.00 55.36 56.28 1r9p s GLN 42 Cb -0.10 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.79 1r9p s GLN 42 CO 0.19 0.61 -0.03 -1.17 -0.55 0.00 0.00 175.29 174.34 1r9p s LEU 43 N -0.89 1.08 -0.05 3.68 2.96 0.07 -2.21 118.68 123.34 1r9p s LEU 43 Ca 0.26 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1r9p s LEU 43 Cb -0.17 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.07 1r9p s LEU 43 CO 0.15 -0.10 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.36 1r9p s GLN 44 N 1.29 1.59 -0.01 1.98 0.74 -1.00 -1.62 119.66 122.63 1r9p s GLN 44 Ca -0.05 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 54.95 1r9p s GLN 44 Cb -0.14 -1.36 -0.02 0.00 1.10 0.00 0.00 33.01 32.59 1r9p s GLN 44 CO -0.02 0.14 -0.24 0.96 -0.55 0.00 0.00 175.29 175.58 1r9p s ILE 45 N 0.28 1.89 -0.02 -2.34 -4.36 -0.92 -0.57 121.20 115.17 1r9p s ILE 45 Ca -0.07 -1.08 0.07 0.00 -0.26 0.00 0.00 60.65 59.31 1r9p s ILE 45 Cb -0.12 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 1r9p s ILE 45 CO 0.02 0.49 -0.23 -0.75 0.24 0.00 0.00 174.94 174.71 1r9p s LYS 46 N -0.69 2.16 0.02 0.37 2.20 -0.64 -2.34 119.74 120.83 1r9p s LYS 46 Ca 0.09 -0.90 0.07 0.00 -0.36 0.00 0.00 55.97 54.88 1r9p s LYS 46 Cb -0.09 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.08 1r9p s LYS 46 CO -0.00 0.57 -0.20 0.08 -0.36 0.00 0.00 175.35 175.43 1r9p s VAL 47 N -0.68 2.60 0.00 4.02 1.01 -0.92 0.18 120.40 126.61 1r9p s VAL 47 Ca 0.11 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1r9p s VAL 47 Cb -0.10 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1r9p s VAL 47 CO 0.00 0.41 0.00 0.47 0.00 0.00 0.00 175.10 175.98 1r9p n ASP 48 N 1.81 0.00 -2.20 3.32 9.92 -0.90 -4.71 116.55 123.79 1r9p n ASP 48 Ca -0.16 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.09 1r9p n ASP 48 Cb 0.52 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 1r9p n ASP 48 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1r9p n ASP 49 N 0.00 0.65 -0.75 -2.24 8.00 -1.10 -4.02 116.55 117.09 1r9p n ASP 49 Ca 0.00 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1r9p n ASP 49 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1r9p n ASN 50 N 2.46 -1.89 0.00 -2.24 3.02 -1.26 -3.54 115.26 111.81 1r9p n ASN 50 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1r9p n ASN 50 Cb 0.09 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r9p n GLY 51 N -0.75 1.39 3.89 7.41 0.00 -1.26 -5.02 105.19 110.85 1r9p n GLY 51 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1r9p n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9p s ILE 52 N -3.34 5.23 -0.72 -0.61 -1.09 -1.23 -4.79 121.20 114.65 1r9p s ILE 52 Ca 0.00 0.13 -0.25 0.00 -2.23 0.00 0.00 60.65 58.30 1r9p s ILE 52 Cb 0.00 -3.61 -0.14 0.00 -1.58 0.00 0.00 42.46 37.13 1r9p s ILE 52 CO 0.00 0.23 2.41 -0.38 -1.23 0.00 0.00 174.94 175.97 1r9p n ILE 53 N 0.68 -0.03 -0.25 2.92 5.41 -0.92 -2.12 119.36 125.05 1r9p n ILE 53 Ca -0.07 -0.57 0.05 0.00 1.00 0.00 0.00 62.75 63.16 1r9p n ILE 53 Cb 0.52 -1.98 0.17 0.00 -0.71 0.00 0.00 39.64 37.64 1r9p n ILE 53 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1r9p h GLU 54 N 15.01 0.19 -3.45 0.38 4.81 -0.55 0.14 114.58 131.10 1r9p h GLU 54 Ca -0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1r9p h GLU 54 Cb 1.13 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 1r9p h GLU 54 CO 1.15 0.13 -0.02 -0.51 -0.73 0.00 0.00 179.01 179.03 1r9p s ASP 55 N -5.21 -0.15 -0.05 1.04 1.01 -1.19 -4.40 116.67 107.73 1r9p s ASP 55 Ca -0.13 -0.82 -0.01 0.00 0.71 0.00 0.00 52.55 52.30 1r9p s ASP 55 Cb 0.22 0.63 0.03 0.00 1.01 0.00 0.00 42.92 44.80 1r9p s ASP 55 CO 0.75 -1.19 0.03 0.00 0.21 0.00 0.00 175.17 174.97 1r9p s ALA 56 N -3.98 0.38 0.22 5.23 0.00 -1.26 -1.62 121.76 120.73 1r9p s ALA 56 Ca 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1r9p s ALA 56 Cb -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1r9p s ALA 56 CO 0.08 -0.41 0.43 0.15 0.00 0.00 0.00 175.76 176.00 1r9p s LYS 57 N 1.93 3.54 0.05 0.00 -0.14 0.26 -4.99 119.74 120.39 1r9p s LYS 57 Ca 0.03 -0.27 -0.02 0.00 -1.36 0.00 0.00 55.97 54.34 1r9p s LYS 57 Cb -0.12 -2.79 -0.03 0.00 -1.68 0.00 0.00 37.83 33.20 1r9p s LYS 57 CO -0.04 0.35 0.01 -0.59 -0.76 0.00 0.00 175.35 174.32 1r9p s PHE 58 N -1.93 0.42 -0.30 3.18 -0.71 -1.26 -2.36 117.98 115.02 1r9p s PHE 58 Ca 0.40 -0.90 -0.08 0.00 -1.04 0.00 0.00 56.93 55.31 1r9p s PHE 58 Cb -0.11 -0.31 0.15 0.00 -1.21 0.00 0.00 43.02 41.55 1r9p s PHE 58 CO 0.29 -0.37 0.66 0.21 -1.34 0.00 0.00 175.22 174.67 1r9p s LYS 59 N -3.50 0.55 -0.27 1.99 2.20 -0.94 -5.01 119.74 114.77 1r9p s LYS 59 Ca 0.03 1.25 -0.17 0.00 -0.36 0.00 0.00 55.97 56.72 1r9p s LYS 59 Cb 0.05 0.74 0.08 0.00 -1.51 0.00 0.00 37.83 37.18 1r9p s LYS 59 CO -0.09 -0.33 0.67 -0.08 -0.36 0.00 0.00 175.35 175.17 1r9p s THR 60 N 2.86 -0.00 -0.26 3.43 -1.32 -1.26 -0.86 115.64 118.22 1r9p s THR 60 Ca 0.03 0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.50 1r9p s THR 60 Cb -0.13 -0.96 0.13 0.00 -1.51 0.00 0.00 72.50 70.03 1r9p s THR 60 CO -0.19 0.00 0.31 -0.31 -2.21 0.00 0.00 174.62 172.22 1r9p s TYR 61 N 1.41 -0.56 0.00 9.09 2.02 -1.26 -4.88 117.35 123.17 1r9p s TYR 61 Ca -0.08 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1r9p s TYR 61 Cb -0.05 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.19 1r9p s TYR 61 CO -0.16 -0.83 0.00 0.41 -1.57 0.00 0.00 175.55 173.40 1r9p n GLY 62 N 5.33 1.41 3.04 0.71 0.00 -1.26 -4.75 105.19 109.66 1r9p n GLY 62 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n GLY 64 N 2.61 0.57 0.40 0.00 0.00 -1.26 -0.65 105.19 106.86 1r9p n GLY 64 Ca 0.16 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.74 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r9p n SER 65 N 2.13 0.35 0.00 1.61 3.41 -1.26 -4.81 113.62 115.04 1r9p n SER 65 Ca 0.00 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1r9p n SER 65 Cb 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r9p n ALA 66 N -0.21 1.39 0.40 7.33 0.00 0.18 -3.04 120.51 126.56 1r9p n ALA 66 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1r9p n ALA 66 Cb 0.67 -0.93 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 1r9p n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r9p h ILE 67 N 0.00 0.00 -1.00 0.00 1.08 -1.88 -1.87 117.51 113.85 1r9p h ILE 67 Ca 0.00 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.75 1r9p h ILE 67 Cb 0.00 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.61 1r9p h ILE 67 CO 0.00 0.00 0.57 0.00 -0.69 0.00 0.00 178.15 178.03 1r9p h ALA 68 N -1.28 1.86 -0.23 1.87 0.00 -1.96 1.15 119.26 120.67 1r9p h ALA 68 Ca -0.10 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1r9p h ALA 68 Cb 0.88 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1r9p h ALA 68 CO 0.11 -0.42 0.07 0.77 0.00 0.00 0.00 179.25 179.78 1r9p h SER 69 N 0.44 0.29 0.08 0.00 0.02 -1.61 -0.61 113.55 112.16 1r9p h SER 69 Ca 0.69 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.60 1r9p h SER 69 Cb 1.45 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 1r9p h SER 69 CO -0.55 0.29 -0.04 0.28 -1.14 0.00 0.00 176.83 175.67 1r9p h SER 70 N 0.32 0.00 0.12 3.07 0.02 0.21 -1.04 113.55 116.26 1r9p h SER 70 Ca 0.08 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.81 1r9p h SER 70 Cb 0.11 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1r9p h SER 70 CO -0.01 0.04 -1.08 0.28 -1.14 0.00 0.00 176.83 174.92 1r9p h SER 71 N 0.00 0.39 -0.43 3.07 0.02 -1.03 -2.43 113.55 113.13 1r9p h SER 71 Ca -0.00 -0.89 -0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1r9p h SER 71 Cb 0.09 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1r9p h SER 71 CO 0.00 1.49 0.26 0.25 -1.14 0.00 0.00 176.83 177.69 1r9p h LEU 72 N -0.39 0.52 0.34 5.07 5.85 -1.12 0.22 115.31 125.81 1r9p h LEU 72 Ca -0.22 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1r9p h LEU 72 Cb 1.66 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1r9p h LEU 72 CO 0.09 0.43 -0.17 -0.29 -0.34 0.00 0.00 178.44 178.16 1r9p h ILE 73 N 0.57 0.60 -0.22 4.05 2.10 -1.34 0.13 117.51 123.41 1r9p h ILE 73 Ca 0.16 -0.60 0.06 0.00 1.08 0.00 0.00 64.86 65.56 1r9p h ILE 73 Cb 0.00 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 36.60 1r9p h ILE 73 CO -0.03 0.10 0.37 0.71 -1.08 0.00 0.00 178.15 178.22 1r9p h THR 74 N -0.83 0.23 0.00 2.19 1.35 -1.36 0.68 112.91 115.17 1r9p h THR 74 Ca -0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.76 1r9p h THR 74 Cb 0.53 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 1r9p h THR 74 CO 0.08 0.00 -1.19 1.21 -0.25 0.00 0.00 175.52 175.36 1r9p n GLU 75 N -3.39 0.61 0.00 4.72 2.13 0.06 -2.81 120.64 121.97 1r9p n GLU 75 Ca 0.03 0.13 0.12 0.00 0.66 0.00 0.00 57.16 58.09 1r9p n GLU 75 Cb 0.49 -1.80 0.17 0.00 0.27 0.00 0.00 31.44 30.57 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1r9p n TRP 76 N -2.71 0.00 -0.37 4.31 7.02 0.21 -3.93 117.44 121.96 1r9p n TRP 76 Ca -0.03 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.47 1r9p n TRP 76 Cb 0.64 -0.17 0.04 0.00 -2.42 0.00 0.00 31.31 29.40 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1r9p n VAL 77 N -1.32 1.19 -3.36 -0.99 0.24 0.43 -4.81 118.33 109.71 1r9p n VAL 77 Ca 0.06 -1.29 -0.39 0.00 -2.04 0.00 0.00 64.34 60.68 1r9p n VAL 77 Cb 0.34 0.32 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 1r9p n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1r9p s LYS 78 N -1.46 4.12 0.00 7.34 2.20 -1.12 -3.90 119.74 126.92 1r9p s LYS 78 Ca 0.09 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1r9p s LYS 78 Cb 0.08 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1r9p s LYS 78 CO 0.01 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1r9p n GLY 79 N 4.17 0.31 4.00 5.54 0.00 0.49 -4.99 105.19 114.71 1r9p n GLY 79 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1r9p n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9p s LYS 80 N -0.83 2.79 0.60 1.61 -0.14 -1.25 -4.53 119.74 117.99 1r9p s LYS 80 Ca 0.00 -1.06 -0.09 0.00 -1.36 0.00 0.00 55.97 53.47 1r9p s LYS 80 Cb 0.00 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.45 1r9p s LYS 80 CO 0.00 -0.35 0.96 0.45 -0.76 0.00 0.00 175.35 175.65 1r9p s SER 81 N -4.35 5.90 0.44 2.83 0.15 -1.26 -2.17 113.70 115.24 1r9p s SER 81 Ca 0.54 1.08 0.24 0.00 0.70 0.00 0.00 55.95 58.51 1r9p s SER 81 Cb -0.10 -2.11 0.90 0.00 -1.71 0.00 0.00 66.02 63.00 1r9p s SER 81 CO 0.34 -0.96 1.82 -0.07 1.20 0.00 0.00 173.24 175.57 1r9p h LEU 82 N -0.25 0.00 -1.19 3.45 3.38 -1.98 -2.50 115.31 116.22 1r9p h LEU 82 Ca -0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1r9p h LEU 82 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1r9p h LEU 82 CO 0.62 0.23 -0.32 -0.08 0.09 0.00 0.00 178.44 178.99 1r9p h GLU 83 N 0.00 0.15 0.07 1.13 4.81 -1.95 -1.99 114.58 116.80 1r9p h GLU 83 Ca -0.00 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 58.88 1r9p h GLU 83 Cb 0.76 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1r9p h GLU 83 CO 0.03 0.46 -1.55 0.93 -0.73 0.00 0.00 179.01 178.15 1r9p h GLU 84 N 0.13 0.15 -0.46 1.92 5.08 -1.88 -3.33 114.58 116.19 1r9p h GLU 84 Ca 0.02 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1r9p h GLU 84 Cb 0.63 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1r9p h GLU 84 CO 0.05 0.95 -0.01 0.00 -1.00 0.00 0.00 179.01 178.99 1r9p h ALA 85 N 0.66 1.11 -0.51 3.43 0.00 -1.28 -1.78 119.26 120.89 1r9p h ALA 85 Ca -0.24 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 1r9p h ALA 85 Cb 1.98 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 19.43 1r9p h ALA 85 CO 0.13 0.56 0.40 0.41 0.00 0.00 0.00 179.25 180.76 1r9p n GLY 86 N -0.64 3.85 0.00 0.00 0.00 -0.76 -3.91 105.19 103.73 1r9p n GLY 86 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1r9p n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n ALA 87 N 0.04 0.89 -0.35 4.61 0.00 -0.91 -4.85 120.51 119.94 1r9p n ALA 87 Ca 0.31 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.05 1r9p n ALA 87 Cb 0.78 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.68 1r9p n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1r9p n ILE 88 N -0.90 0.00 -1.33 0.00 -5.35 -0.72 -4.81 119.36 106.24 1r9p n ILE 88 Ca 0.00 0.94 0.05 0.00 -0.27 0.00 0.00 62.75 63.47 1r9p n ILE 88 Cb 0.00 -1.61 -0.03 0.00 -1.74 0.00 0.00 39.64 36.26 1r9p n ILE 88 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1r9p n LYS 89 N -3.02 -3.38 -0.04 6.28 4.81 -1.26 -4.34 118.16 117.21 1r9p n LYS 89 Ca 0.24 2.67 -0.18 0.00 -0.87 0.00 0.00 58.31 60.17 1r9p n LYS 89 Cb 1.24 -3.46 -0.13 0.00 0.02 0.00 0.00 35.03 32.69 1r9p n LYS 89 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1r9p h ASN 90 N -0.29 0.17 -0.70 3.14 -1.07 -1.88 -3.28 115.58 111.66 1r9p h ASN 90 Ca -0.06 -0.88 0.20 0.00 0.07 0.00 0.00 56.30 55.64 1r9p h ASN 90 Cb 0.96 -0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 37.12 1r9p h ASN 90 CO 0.02 1.28 1.00 0.77 0.07 0.00 0.00 177.43 180.56 1r9p h SER 91 N -0.75 0.00 0.19 6.14 4.64 -1.94 0.33 113.55 122.17 1r9p h SER 91 Ca -0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1r9p h SER 91 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1r9p h SER 91 CO 0.01 0.00 -0.09 -0.61 -0.87 0.00 0.00 176.83 175.27 1r9p h GLN 92 N 0.00 -0.24 0.00 4.77 5.75 -1.75 -1.78 115.11 121.85 1r9p h GLN 92 Ca 0.33 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.83 1r9p h GLN 92 Cb 2.33 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 30.93 1r9p h GLN 92 CO -0.00 0.16 -0.10 0.82 -2.65 0.00 0.00 178.83 177.06 1r9p h ILE 93 N -0.78 0.28 0.01 2.39 2.04 -0.55 -1.73 117.51 119.17 1r9p h ILE 93 Ca -0.03 -0.70 -0.21 0.00 1.00 0.00 0.00 64.86 64.92 1r9p h ILE 93 Cb 0.52 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1r9p h ILE 93 CO 0.04 0.10 -0.92 0.00 0.00 0.00 0.00 178.15 177.37 1r9p h ALA 94 N 1.90 0.43 0.00 1.87 0.00 -1.10 -2.77 119.26 119.59 1r9p h ALA 94 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1r9p h ALA 94 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1r9p h ALA 94 CO 0.01 0.88 -0.44 1.49 0.00 0.00 0.00 179.25 181.19 1r9p h GLU 95 N 0.15 0.00 0.07 0.00 4.57 -0.98 -1.05 114.58 117.34 1r9p h GLU 95 Ca -0.06 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1r9p h GLU 95 Cb 1.56 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.16 1r9p h GLU 95 CO 0.15 0.00 -0.39 0.93 -1.18 0.00 0.00 179.01 178.51 1r9p h GLU 96 N 0.00 0.14 0.09 1.92 4.39 -1.27 -3.36 114.58 116.49 1r9p h GLU 96 Ca 0.00 -0.24 -0.32 0.00 0.34 0.00 0.00 59.36 59.14 1r9p h GLU 96 Cb 0.82 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1r9p h GLU 96 CO 0.00 1.12 -1.69 -0.07 -1.16 0.00 0.00 179.01 177.20 1r9p h LEU 97 N -0.70 0.31 -2.68 1.33 4.07 -1.62 -3.50 115.31 112.53 1r9p h LEU 97 Ca -0.07 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.35 1r9p h LEU 97 Cb 1.31 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1r9p h LEU 97 CO 0.07 1.47 -0.07 1.21 -1.08 0.00 0.00 178.44 180.03 1r9p n GLU 98 N -3.37 -0.81 -4.25 1.13 2.13 -0.40 -5.04 120.64 110.03 1r9p n GLU 98 Ca -0.21 1.08 -0.33 0.00 0.66 0.00 0.00 57.16 58.36 1r9p n GLU 98 Cb 1.05 -3.58 -0.08 0.00 0.27 0.00 0.00 31.44 29.09 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1r9p s LEU 99 N -2.62 3.64 0.44 4.31 2.34 -1.25 -5.07 118.68 120.48 1r9p s LEU 99 Ca 0.04 0.07 -0.20 0.00 0.06 0.00 0.00 54.13 54.10 1r9p s LEU 99 Cb -0.01 -2.03 -0.15 0.00 -0.56 0.00 0.00 46.19 43.44 1r9p s LEU 99 CO 0.37 0.30 0.05 -2.65 -1.06 0.00 0.00 176.35 173.36 1r9p n PRO 100 N 1.52 0.04 0.10 1.48 -0.02 -1.26 -4.84 135.00 132.03 1r9p n PRO 100 Ca -0.15 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1r9p n PRO 100 Cb 0.53 -1.05 0.45 0.00 -0.02 0.00 0.00 33.50 33.42 1r9p n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1r9p n PRO 101 N 1.31 0.17 0.00 0.52 -0.04 -1.26 -3.25 135.00 132.45 1r9p n PRO 101 Ca 0.10 0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.89 1r9p n PRO 101 Cb 0.43 -1.77 0.04 0.00 -0.04 0.00 0.00 33.50 32.15 1r9p n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r9p n VAL 102 N -2.08 0.02 -2.81 0.52 0.31 -1.26 -2.53 118.33 110.50 1r9p n VAL 102 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1r9p n VAL 102 Cb 0.27 -0.98 0.06 0.00 -0.91 0.00 0.00 33.84 32.27 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1r9p n LYS 103 N -1.00 1.08 0.00 5.55 5.02 -1.20 -4.92 118.16 122.69 1r9p n LYS 103 Ca 0.01 -2.55 0.08 0.00 -2.02 0.00 0.00 58.31 53.83 1r9p n LYS 103 Cb 0.00 -0.98 0.43 0.00 -0.02 0.00 0.00 35.03 34.47 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9p n VAL 104 N -0.01 0.28 0.08 -0.18 0.31 -1.05 -2.15 118.33 115.60 1r9p n VAL 104 Ca 0.09 0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.48 1r9p n VAL 104 Cb 0.76 -0.82 -0.05 0.00 -0.91 0.00 0.00 33.84 32.82 1r9p n VAL 104 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1r9p h HIS 105 N 0.00 0.00 0.45 3.52 2.07 -1.91 -3.27 115.15 116.01 1r9p h HIS 105 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1r9p h HIS 105 Cb 0.07 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.03 1r9p h HIS 105 CO 0.00 0.66 -0.48 0.00 -3.07 0.00 0.00 177.93 175.04 1r9p h SER 107 N -0.93 -0.83 -0.18 0.00 4.64 -1.76 -2.74 113.55 111.76 1r9p h SER 107 Ca -0.06 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1r9p h SER 107 Cb 0.81 0.33 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1r9p h SER 107 CO -0.07 -0.36 -0.19 0.40 -0.87 0.00 0.00 176.83 175.74 1r9p h ILE 108 N -0.45 0.00 -0.76 0.95 2.04 -1.55 0.64 117.51 118.38 1r9p h ILE 108 Ca 0.05 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.06 1r9p h ILE 108 Cb 0.52 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.45 1r9p h ILE 108 CO -0.22 0.00 -0.21 0.18 0.00 0.00 0.00 178.15 177.91 1r9p n LEU 109 N -3.65 -0.31 -0.01 1.44 4.32 0.07 0.79 117.00 119.65 1r9p n LEU 109 Ca -0.01 1.31 -0.12 0.00 -0.02 0.00 0.00 56.01 57.17 1r9p n LEU 109 Cb 0.11 -0.38 -0.06 0.00 -1.62 0.00 0.00 43.42 41.47 1r9p n LEU 109 CO -0.01 -1.25 0.59 0.00 -1.22 0.00 0.00 177.39 175.51 1r9p h ALA 110 N 1.45 -0.54 0.15 -1.18 0.00 -0.59 0.40 119.26 118.95 1r9p h ALA 110 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1r9p h ALA 110 Cb 0.54 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1r9p h ALA 110 CO -0.78 -0.90 -0.07 1.49 0.00 0.00 0.00 179.25 178.99 1r9p h GLU 111 N -0.46 -0.20 -1.09 0.00 4.81 0.76 -2.61 114.58 115.79 1r9p h GLU 111 Ca 0.09 0.01 0.32 0.00 -0.13 0.00 0.00 59.36 59.65 1r9p h GLU 111 Cb 0.61 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 1r9p h GLU 111 CO -0.41 -0.13 0.97 -0.25 -0.73 0.00 0.00 179.01 178.46 1r9p n ASP 112 N -2.86 0.00 -0.01 1.04 9.92 0.54 0.54 116.55 125.73 1r9p n ASP 112 Ca -0.03 0.64 -0.03 0.00 -0.53 0.00 0.00 54.79 54.85 1r9p n ASP 112 Cb 0.08 -0.27 -0.02 0.00 -0.64 0.00 0.00 41.12 40.27 1r9p n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r9p h ALA 113 N 0.55 -0.11 -1.06 2.24 0.00 -0.73 -2.67 119.26 117.48 1r9p h ALA 113 Ca 0.52 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.65 1r9p h ALA 113 Cb 2.46 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 20.19 1r9p h ALA 113 CO -0.01 -0.10 0.67 0.97 0.00 0.00 0.00 179.25 180.78 1r9p h ILE 114 N -1.02 0.48 -0.12 0.00 6.09 0.47 0.18 117.51 123.59 1r9p h ILE 114 Ca -0.01 -0.14 -0.03 0.00 -1.37 0.00 0.00 64.86 63.32 1r9p h ILE 114 Cb 0.16 0.05 -0.00 0.00 0.47 0.00 0.00 36.82 37.50 1r9p h ILE 114 CO 0.02 0.07 -0.04 0.50 -3.07 0.00 0.00 178.15 175.63 1r9p h LYS 115 N 0.39 0.23 -0.62 2.19 3.64 -1.45 -2.65 116.57 118.31 1r9p h LYS 115 Ca 0.63 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 60.03 1r9p h LYS 115 Cb 1.56 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.29 1r9p h LYS 115 CO -0.35 0.55 0.16 0.00 -2.27 0.00 0.00 179.45 177.54 1r9p h ALA 116 N 0.68 0.76 0.18 5.00 0.00 -0.32 -1.53 119.26 124.02 1r9p h ALA 116 Ca 0.03 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1r9p h ALA 116 Cb 0.47 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1r9p h ALA 116 CO 0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 179.25 178.66 1r9p h ALA 117 N 1.48 -0.59 -0.99 0.00 0.00 -1.19 -0.40 119.26 117.57 1r9p h ALA 117 Ca 0.33 -0.07 0.36 0.00 0.00 0.00 0.00 54.91 55.53 1r9p h ALA 117 Cb 0.48 0.51 -0.17 0.00 0.00 0.00 0.00 17.79 18.61 1r9p h ALA 117 CO -0.39 -0.88 0.49 0.82 0.00 0.00 0.00 179.25 179.28 1r9p h ILE 118 N -0.58 0.13 0.29 0.00 2.04 -0.93 0.37 117.51 118.83 1r9p h ILE 118 Ca 0.02 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1r9p h ILE 118 Cb 0.59 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1r9p h ILE 118 CO -0.15 0.02 -0.14 0.00 0.00 0.00 0.00 178.15 177.88 1r9p h ALA 119 N 1.93 -0.39 -0.37 1.87 0.00 -0.70 -0.99 119.26 120.61 1r9p h ALA 119 Ca 0.77 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.60 1r9p h ALA 119 Cb 1.87 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1r9p h ALA 119 CO -0.72 -0.54 0.38 -0.44 0.00 0.00 0.00 179.25 177.93 1r9p h ASP 120 N -0.74 0.00 0.13 0.00 5.19 0.66 0.16 116.42 121.82 1r9p h ASP 120 Ca -0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1r9p h ASP 120 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1r9p h ASP 120 CO 0.07 0.00 -0.06 0.22 -3.12 0.00 0.00 179.24 176.34 1r9p h TYR 121 N 0.00 -0.16 0.00 4.55 5.03 -0.27 -2.94 116.97 123.18 1r9p h TYR 121 Ca 0.17 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1r9p h TYR 121 Cb 0.93 0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1r9p h TYR 121 CO 0.00 0.11 0.00 1.63 -1.32 0.00 0.00 178.16 178.58 1r9p n LYS 122 N -4.87 0.49 -0.11 1.82 5.02 -0.41 -2.89 118.16 117.21 1r9p n LYS 122 Ca -0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 1r9p n LYS 122 Cb 0.17 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 1r9p n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r9p n ALA 123 N -0.85 0.95 0.84 7.82 0.00 0.50 -4.08 120.51 125.69 1r9p n ALA 123 Ca 0.08 -0.73 0.08 0.00 0.00 0.00 0.00 53.44 52.87 1r9p n ALA 123 Cb 0.04 -0.30 0.42 0.00 0.00 0.00 0.00 19.45 19.61 1r9p n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1r9p n LYS 124 N -4.30 0.33 -0.00 0.00 4.76 -1.12 0.80 118.16 118.63 1r9p n LYS 124 Ca -0.41 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 54.99 1r9p n LYS 124 Cb 0.78 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.37 1r9p n LYS 124 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1r9p h GLN 125 N 0.00 -0.06 0.00 1.97 5.75 -1.70 -3.42 115.11 117.65 1r9p h GLN 125 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1r9p h GLN 125 Cb 0.09 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 1r9p h GLN 125 CO 0.00 0.50 -0.11 0.41 -2.65 0.00 0.00 178.83 176.98 1r9p n GLY 126 N 0.56 0.89 0.00 2.39 0.00 -1.18 -4.89 105.19 102.96 1r9p n GLY 126 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1r9p n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r9p n LEU 127 N 0.00 0.42 0.00 0.99 4.32 0.63 -5.05 117.00 118.31 1r9p n LEU 127 Ca -0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.56 1r9p n LEU 127 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1r9p n LEU 127 CO -0.00 0.11 0.00 -0.62 -1.22 0.00 0.00 177.39 175.65 1r9p n GLU 128 N -0.04 0.00 -3.06 3.23 -0.58 0.24 -4.09 120.64 116.34 1r9p n GLU 128 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1r9p n GLU 128 Cb 0.22 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.03 1r9p n GLU 128 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 1r9p s HIS 129 N 0.00 3.80 1.21 -0.32 -3.43 -1.26 -4.08 115.29 111.21 1r9p s HIS 129 Ca 0.00 1.50 -0.19 0.00 -0.80 0.00 0.00 55.06 55.56 1r9p s HIS 129 Cb 0.00 -2.68 0.29 0.00 -1.43 0.00 0.00 32.58 28.76 1r9p s HIS 129 CO 0.00 0.45 1.10 -1.01 -2.00 0.00 0.00 174.74 173.29 1r9p s HIS 130 N -1.29 0.41 -0.60 0.38 3.76 -1.26 -4.91 115.29 111.78 1r9p s HIS 130 Ca 0.38 0.49 -0.27 0.00 -0.15 0.00 0.00 55.06 55.50 1r9p s HIS 130 Cb -0.20 -3.44 0.03 0.00 1.11 0.00 0.00 32.58 30.08 1r9p s HIS 130 CO 0.23 -3.94 1.17 -1.01 -0.85 0.00 0.00 174.74 170.34 1r9p s HIS 131 N -2.98 2.59 -1.67 1.40 3.76 -1.26 -4.84 115.29 112.28 1r9p s HIS 131 Ca 0.71 0.29 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 1r9p s HIS 131 Cb -0.10 -4.47 0.00 0.00 1.11 0.00 0.00 32.58 29.13 1r9p s HIS 131 CO 0.56 -1.62 0.49 -2.39 -0.85 0.00 0.00 174.74 170.93 1r9p n HIS 132 N 8.41 0.00 -1.44 1.40 1.44 -1.26 -4.81 115.22 118.97 1r9p n HIS 132 Ca 0.07 0.00 -0.54 0.00 -2.01 0.00 0.00 57.72 55.24 1r9p n HIS 132 Cb 0.49 -0.02 -0.08 0.00 0.12 0.00 0.00 29.99 30.50 1r9p n HIS 132 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1r9p n HIS 133 N -0.27 1.57 0.42 -1.40 8.25 -1.26 -5.34 115.22 117.19 1r9p n HIS 133 Ca 0.00 0.42 0.03 0.00 -0.26 0.00 0.00 57.72 57.91 1r9p n HIS 133 Cb 0.05 -2.47 0.20 0.00 1.12 0.00 0.00 29.99 28.89 1r9p n HIS 133 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56