#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f90 s LYS 3 N 0.00 3.81 -0.00 1.43 1.02 -1.26 -0.65 119.74 124.09 3f90 s LYS 3 Ca 0.00 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 55.87 3f90 s LYS 3 Cb 0.00 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3f90 s LYS 3 CO 0.00 -0.42 0.02 0.08 -0.92 0.00 0.00 175.35 174.11 3f90 s VAL 4 N 2.12 4.31 -0.19 3.17 1.01 -0.28 -0.63 120.40 129.90 3f90 s VAL 4 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3f90 s VAL 4 Cb -0.16 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3f90 s VAL 4 CO 0.11 0.38 -0.16 -0.22 0.00 0.00 0.00 175.10 175.21 3f90 s LEU 5 N -1.58 2.39 -0.28 3.92 2.96 0.01 -1.43 118.68 124.67 3f90 s LEU 5 Ca 0.20 -0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3f90 s LEU 5 Cb -0.12 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3f90 s LEU 5 CO 0.11 -0.02 0.05 -0.63 -1.32 0.00 0.00 176.35 174.54 3f90 s ILE 6 N 1.32 3.79 -0.09 6.68 1.01 -0.76 0.19 121.20 133.35 3f90 s ILE 6 Ca 0.04 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3f90 s ILE 6 Cb -0.14 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3f90 s ILE 6 CO -0.10 0.12 -0.21 -0.69 0.00 0.00 0.00 174.94 174.05 3f90 s VAL 7 N 1.48 2.33 0.07 2.92 1.01 0.59 -0.64 120.40 128.15 3f90 s VAL 7 Ca 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3f90 s VAL 7 Cb -0.17 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3f90 s VAL 7 CO 0.01 0.56 -0.07 0.72 0.00 0.00 0.00 175.10 176.32 3f90 s PHE 8 N 0.11 0.78 -0.09 5.22 -0.12 -0.92 -0.48 117.98 122.49 3f90 s PHE 8 Ca -0.10 -0.71 0.03 0.00 -0.05 0.00 0.00 56.93 56.10 3f90 s PHE 8 Cb -0.16 -0.46 0.01 0.00 -0.63 0.00 0.00 43.02 41.78 3f90 s PHE 8 CO 0.06 -0.12 -0.19 0.20 -0.05 0.00 0.00 175.22 175.13 3f90 s GLY 9 N -2.31 1.09 -0.17 1.99 0.00 0.15 -0.22 107.32 107.85 3f90 s GLY 9 Ca 0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.88 3f90 s GLY 9 CO -0.02 -0.11 0.44 -0.45 0.00 0.00 0.00 173.10 172.96 3f90 s SER 10 N 0.51 -0.51 -0.22 1.64 0.15 -1.26 -3.18 113.70 110.83 3f90 s SER 10 Ca -0.16 0.92 0.05 0.00 0.70 0.00 0.00 55.95 57.45 3f90 s SER 10 Cb -0.17 0.86 -0.16 0.00 -1.71 0.00 0.00 66.02 64.84 3f90 s SER 10 CO 0.06 -0.18 -0.14 -1.20 1.20 0.00 0.00 173.24 172.98 3f90 n SER 11 N 3.59 1.89 -0.08 5.45 7.64 -1.26 -4.67 113.62 126.18 3f90 n SER 11 Ca -0.18 -0.10 0.02 0.00 1.01 0.00 0.00 58.87 59.62 3f90 n SER 11 Cb 0.56 -0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.72 3f90 n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f90 n THR 12 N -3.05 1.18 -0.91 0.44 -2.24 -1.26 -5.00 114.28 103.43 3f90 n THR 12 Ca -0.38 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 3f90 n THR 12 Cb 0.96 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3f90 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f90 n GLY 13 N -0.59 0.57 0.12 3.38 0.00 -1.26 -4.97 105.19 102.45 3f90 n GLY 13 Ca 0.04 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 3f90 n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f90 n ASN 14 N 1.52 1.59 0.09 1.61 3.02 -1.26 -2.93 115.26 118.90 3f90 n ASN 14 Ca 0.00 0.07 -0.07 0.00 -0.03 0.00 0.00 54.58 54.55 3f90 n ASN 14 Cb 0.08 -0.30 0.01 0.00 -0.61 0.00 0.00 39.78 38.95 3f90 n ASN 14 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3f90 h THR 15 N 0.02 1.52 -0.06 3.41 2.02 -1.85 -2.65 112.91 115.31 3f90 h THR 15 Ca -0.49 -2.63 -0.02 0.00 0.77 0.00 0.00 66.41 64.05 3f90 h THR 15 Cb 2.01 2.45 -0.00 0.00 -1.74 0.00 0.00 68.15 70.87 3f90 h THR 15 CO 0.01 0.76 -0.02 -0.08 0.37 0.00 0.00 175.52 176.56 3f90 h GLU 16 N 0.07 0.13 -0.66 6.66 4.81 -1.86 0.39 114.58 124.12 3f90 h GLU 16 Ca -0.03 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3f90 h GLU 16 Cb 1.46 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.74 3f90 h GLU 16 CO 0.12 0.47 0.16 1.03 -0.73 0.00 0.00 179.01 180.06 3f90 h SER 17 N -0.22 0.03 -0.47 1.04 0.87 -1.55 0.50 113.55 113.75 3f90 h SER 17 Ca 0.02 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 3f90 h SER 17 Cb 0.42 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3f90 h SER 17 CO 0.01 0.00 -0.08 0.40 -0.53 0.00 0.00 176.83 176.63 3f90 h ILE 18 N 0.28 1.26 -0.24 2.23 2.04 -1.40 -1.54 117.51 120.15 3f90 h ILE 18 Ca 0.36 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3f90 h ILE 18 Cb 0.56 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3f90 h ILE 18 CO -0.44 0.42 0.15 0.00 0.00 0.00 0.00 178.15 178.28 3f90 h ALA 19 N 1.06 0.30 -0.70 1.87 0.00 0.97 0.24 119.26 123.00 3f90 h ALA 19 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3f90 h ALA 19 Cb 0.61 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3f90 h ALA 19 CO 0.04 -0.23 0.45 1.96 0.00 0.00 0.00 179.25 181.47 3f90 h GLN 20 N 0.31 0.87 0.00 0.00 4.20 0.03 -1.15 115.11 119.37 3f90 h GLN 20 Ca 0.09 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3f90 h GLN 20 Cb -0.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3f90 h GLN 20 CO -0.03 0.58 -0.32 -0.22 -0.67 0.00 0.00 178.83 178.17 3f90 h LYS 21 N 0.90 0.00 -0.03 1.46 1.63 -0.93 -2.53 116.57 117.07 3f90 h LYS 21 Ca 0.27 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.85 3f90 h LYS 21 Cb -0.03 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.62 3f90 h LYS 21 CO -0.09 0.32 -0.86 -0.07 -3.45 0.00 0.00 179.45 175.30 3f90 h LEU 22 N 0.00 0.80 -0.97 5.20 3.38 -0.49 -2.87 115.31 120.37 3f90 h LEU 22 Ca -0.00 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 57.31 3f90 h LEU 22 Cb 0.68 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3f90 h LEU 22 CO 0.04 1.42 0.62 -0.08 0.09 0.00 0.00 178.44 180.53 3f90 h GLU 23 N 0.26 1.10 -0.54 1.13 4.81 -1.04 0.20 114.58 120.50 3f90 h GLU 23 Ca -0.10 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 3f90 h GLU 23 Cb 1.53 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3f90 h GLU 23 CO 0.17 0.72 0.11 1.49 -0.73 0.00 0.00 179.01 180.77 3f90 h GLU 24 N 1.13 0.88 0.00 1.92 4.81 -1.48 -0.16 114.58 121.68 3f90 h GLU 24 Ca 0.42 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.27 3f90 h GLU 24 Cb 0.16 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3f90 h GLU 24 CO -0.17 0.84 -0.71 -0.07 -0.73 0.00 0.00 179.01 178.17 3f90 h LEU 25 N 0.77 0.00 0.00 1.64 3.38 -1.18 -0.63 115.31 119.28 3f90 h LEU 25 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3f90 h LEU 25 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3f90 h LEU 25 CO 0.01 0.71 -0.57 0.40 0.09 0.00 0.00 178.44 179.08 3f90 h ILE 26 N 0.00 0.08 0.16 1.22 2.04 -0.58 -3.08 117.51 117.35 3f90 h ILE 26 Ca -0.01 -1.13 -0.30 0.00 1.00 0.00 0.00 64.86 64.43 3f90 h ILE 26 Cb 1.44 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3f90 h ILE 26 CO 0.09 0.04 -1.39 0.00 0.00 0.00 0.00 178.15 176.90 3f90 h ALA 27 N 1.94 0.06 -0.22 1.87 0.00 -0.94 -3.06 119.26 118.91 3f90 h ALA 27 Ca -0.01 -0.93 0.06 0.00 0.00 0.00 0.00 54.91 54.03 3f90 h ALA 27 Cb 1.05 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3f90 h ALA 27 CO 0.01 0.93 0.19 0.00 0.00 0.00 0.00 179.25 180.38 3f90 h ALA 28 N 0.43 2.00 -0.03 0.00 0.00 -1.13 0.37 119.26 120.90 3f90 h ALA 28 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3f90 h ALA 28 Cb 2.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3f90 h ALA 28 CO 0.22 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.57 3f90 n GLY 29 N -1.48 -0.85 2.06 0.00 0.00 -1.16 -4.88 105.19 98.87 3f90 n GLY 29 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 3f90 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f90 n GLY 30 N 0.67 0.47 3.93 -0.02 0.00 0.13 -5.01 105.19 105.36 3f90 n GLY 30 Ca 0.07 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3f90 n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f90 s HIS 31 N -1.95 3.48 -0.54 1.61 4.02 -1.16 -4.65 115.29 116.10 3f90 s HIS 31 Ca 0.00 0.31 -0.18 0.00 1.02 0.00 0.00 55.06 56.21 3f90 s HIS 31 Cb 0.00 -1.83 0.08 0.00 -1.02 0.00 0.00 32.58 29.81 3f90 s HIS 31 CO 0.00 0.35 0.61 -1.21 1.02 0.00 0.00 174.74 175.51 3f90 s GLU 32 N -3.49 3.06 0.37 1.40 2.02 0.18 -4.36 118.70 117.87 3f90 s GLU 32 Ca 0.38 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 54.20 3f90 s GLU 32 Cb -0.11 -4.19 -0.01 0.00 0.10 0.00 0.00 34.13 29.92 3f90 s GLU 32 CO 0.30 -1.32 0.55 0.14 0.02 0.00 0.00 175.26 174.94 3f90 s VAL 33 N 2.41 4.39 -0.16 2.63 -7.23 -1.26 -1.13 120.40 120.05 3f90 s VAL 33 Ca 0.11 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.53 3f90 s VAL 33 Cb -0.23 -3.58 0.06 0.00 0.56 0.00 0.00 36.38 33.20 3f90 s VAL 33 CO 0.08 -0.32 0.12 -0.89 -0.31 0.00 0.00 175.10 173.78 3f90 s THR 34 N -2.32 -0.15 -0.28 5.32 2.01 -0.51 -4.91 115.64 114.80 3f90 s THR 34 Ca 0.44 -0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 3f90 s THR 34 Cb -0.10 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 3f90 s THR 34 CO 0.34 -0.21 0.49 -0.22 -0.69 0.00 0.00 174.62 174.33 3f90 s LEU 35 N 2.19 4.09 -0.05 4.42 2.96 -1.26 -1.83 118.68 129.20 3f90 s LEU 35 Ca 0.03 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3f90 s LEU 35 Cb -0.15 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.94 3f90 s LEU 35 CO -0.09 -0.30 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.37 3f90 s LEU 36 N 2.29 1.26 -0.02 -0.68 0.20 0.18 -5.01 118.68 116.91 3f90 s LEU 36 Ca 0.20 -0.13 -0.30 0.00 0.69 0.00 0.00 54.13 54.59 3f90 s LEU 36 Cb -0.16 -0.46 -0.03 0.00 -0.43 0.00 0.00 46.19 45.11 3f90 s LEU 36 CO 0.10 -0.07 1.12 0.21 -0.29 0.00 0.00 176.35 177.42 3f90 s ASN 37 N 1.02 7.16 0.29 3.68 3.84 -1.26 -2.16 114.94 127.51 3f90 s ASN 37 Ca -0.09 1.79 0.02 0.00 0.21 0.00 0.00 52.86 54.79 3f90 s ASN 37 Cb -0.14 -2.57 0.71 0.00 -0.55 0.00 0.00 41.25 38.70 3f90 s ASN 37 CO -0.01 -0.46 1.66 0.00 -2.79 0.00 0.00 177.10 175.50 3f90 h ALA 38 N 7.08 1.31 -0.98 1.71 0.00 -0.91 0.87 119.26 128.34 3f90 h ALA 38 Ca -0.37 0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.97 3f90 h ALA 38 Cb 1.19 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 3f90 h ALA 38 CO 0.83 -0.44 0.63 0.00 0.00 0.00 0.00 179.25 180.27 3f90 h ALA 39 N 1.76 2.05 -0.01 0.00 0.00 -1.79 0.21 119.26 121.48 3f90 h ALA 39 Ca 0.55 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3f90 h ALA 39 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3f90 h ALA 39 CO -0.62 -0.41 -0.07 -0.25 0.00 0.00 0.00 179.25 177.91 3f90 n ASP 40 N -4.63 1.09 -4.85 0.00 8.00 0.30 -4.94 116.55 111.52 3f90 n ASP 40 Ca 0.23 -1.19 -0.32 0.00 0.71 0.00 0.00 54.79 54.21 3f90 n ASP 40 Cb 0.72 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.79 3f90 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f90 s ALA 41 N -2.17 3.24 -0.26 2.24 0.00 0.74 -4.95 121.76 120.61 3f90 s ALA 41 Ca 0.35 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3f90 s ALA 41 Cb 0.21 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.50 3f90 s ALA 41 CO 0.40 0.14 -0.09 -1.12 0.00 0.00 0.00 175.76 175.08 3f90 s SER 42 N -2.56 4.38 0.51 0.00 0.01 -1.26 -5.03 113.70 109.75 3f90 s SER 42 Ca 0.56 -1.25 0.24 0.00 1.31 0.00 0.00 55.95 56.81 3f90 s SER 42 Cb -0.10 -1.58 1.34 0.00 0.21 0.00 0.00 66.02 65.89 3f90 s SER 42 CO 0.22 -0.18 1.98 0.00 0.41 0.00 0.00 173.24 175.66 3f90 h ALA 43 N 7.85 2.46 -1.96 1.44 0.00 -1.93 -3.37 119.26 123.75 3f90 h ALA 43 Ca -0.23 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 3f90 h ALA 43 Cb 1.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3f90 h ALA 43 CO 0.50 -0.62 1.32 -2.00 0.00 0.00 0.00 179.25 178.45 3f90 s GLU 44 N -5.08 3.40 -1.46 0.00 2.56 -1.26 -2.66 118.70 114.20 3f90 s GLU 44 Ca -0.05 1.73 -0.11 0.00 0.00 0.00 0.00 54.97 56.54 3f90 s GLU 44 Cb 0.20 -4.22 0.06 0.00 2.00 0.00 0.00 34.13 32.16 3f90 s GLU 44 CO 0.74 -1.78 0.97 0.09 -0.56 0.00 0.00 175.26 174.72 3f90 n ASN 45 N 10.24 -4.42 0.15 -1.70 3.02 -0.05 -4.88 115.26 117.63 3f90 n ASN 45 Ca 0.24 -0.74 -0.00 0.00 -0.03 0.00 0.00 54.58 54.05 3f90 n ASN 45 Cb 0.46 -4.13 0.25 0.00 -0.61 0.00 0.00 39.78 35.75 3f90 n ASN 45 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3f90 h LEU 46 N -2.16 0.05 0.00 3.41 5.85 -1.39 -3.12 115.31 117.96 3f90 h LEU 46 Ca -0.58 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3f90 h LEU 46 Cb 1.37 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3f90 h LEU 46 CO 0.63 0.53 -0.61 0.00 -0.34 0.00 0.00 178.44 178.65 3f90 n ALA 47 N -2.45 3.48 -1.61 1.25 0.00 -1.17 -4.91 120.51 115.10 3f90 n ALA 47 Ca -0.02 -0.35 -0.47 0.00 0.00 0.00 0.00 53.44 52.61 3f90 n ALA 47 Cb 0.51 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 3f90 n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f90 n ASP 48 N -1.66 3.19 0.00 0.00 9.92 -1.18 -1.27 116.55 125.55 3f90 n ASP 48 Ca 0.05 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 3f90 n ASP 48 Cb 0.37 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 3f90 n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f90 n GLY 49 N 5.26 0.94 3.49 0.44 0.00 -1.26 -5.09 105.19 108.97 3f90 n GLY 49 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 3f90 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f90 s TYR 50 N -2.00 2.89 -0.13 1.61 1.51 -0.39 -4.73 117.35 116.11 3f90 s TYR 50 Ca 0.00 -0.25 0.26 0.00 -1.01 0.00 0.00 57.07 56.07 3f90 s TYR 50 Cb 0.00 -1.79 0.77 0.00 -0.11 0.00 0.00 41.96 40.83 3f90 s TYR 50 CO 0.00 0.08 1.76 -0.44 -1.11 0.00 0.00 175.55 175.84 3f90 h ASP 51 N 5.98 0.00 -4.36 2.29 3.32 -1.18 -3.46 116.42 119.01 3f90 h ASP 51 Ca -0.38 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.56 3f90 h ASP 51 Cb 1.18 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 3f90 h ASP 51 CO 0.55 0.09 -0.15 0.00 -1.72 0.00 0.00 179.24 178.01 3f90 s ALA 52 N -3.42 -1.13 -0.12 3.45 0.00 -1.22 -2.98 121.76 116.34 3f90 s ALA 52 Ca 0.04 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.05 3f90 s ALA 52 Cb 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3f90 s ALA 52 CO 0.63 -0.25 -0.18 0.08 0.00 0.00 0.00 175.76 176.04 3f90 s VAL 53 N -0.40 1.72 -0.24 0.00 1.01 -0.04 -0.81 120.40 121.64 3f90 s VAL 53 Ca -0.05 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3f90 s VAL 53 Cb -0.03 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3f90 s VAL 53 CO 0.03 0.49 0.04 -0.76 0.00 0.00 0.00 175.10 174.89 3f90 s LEU 54 N 0.91 3.28 -0.18 3.92 1.43 0.13 -2.20 118.68 125.98 3f90 s LEU 54 Ca -0.07 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3f90 s LEU 54 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3f90 s LEU 54 CO -0.02 -0.03 0.05 -0.36 0.23 0.00 0.00 176.35 176.22 3f90 s PHE 55 N 1.57 3.23 -0.03 0.29 0.40 -0.35 -0.30 117.98 122.79 3f90 s PHE 55 Ca 0.06 0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.50 3f90 s PHE 55 Cb -0.15 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 3f90 s PHE 55 CO 0.01 0.15 -0.23 0.20 0.70 0.00 0.00 175.22 176.05 3f90 s GLY 56 N 0.31 1.16 -0.30 4.36 0.00 0.37 -1.03 107.32 112.18 3f90 s GLY 56 Ca 0.03 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.62 3f90 s GLY 56 CO 0.00 -0.76 0.84 0.00 0.00 0.00 0.00 173.10 173.18 3f90 s SER 58 N 2.32 6.40 0.17 0.00 1.04 -1.19 -4.56 113.70 117.87 3f90 s SER 58 Ca -0.06 1.03 0.04 0.00 0.48 0.00 0.00 55.95 57.45 3f90 s SER 58 Cb -0.07 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 3f90 s SER 58 CO -0.18 -0.48 0.19 0.00 0.98 0.00 0.00 173.24 173.76 3f90 s ALA 59 N -2.53 3.70 0.00 5.32 0.00 -1.26 -0.44 121.76 126.54 3f90 s ALA 59 Ca 0.49 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3f90 s ALA 59 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.52 3f90 s ALA 59 CO 0.37 0.48 0.49 0.91 0.00 0.00 0.00 175.76 178.01 3f90 n TRP 60 N -0.51 0.00 -3.07 0.00 7.02 0.42 -4.87 117.44 116.42 3f90 n TRP 60 Ca -0.08 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.03 3f90 n TRP 60 Cb 0.55 0.02 -0.06 0.00 -2.42 0.00 0.00 31.31 29.40 3f90 n TRP 60 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3f90 s GLY 61 N -0.12 2.71 -0.08 6.99 0.00 -1.24 -4.91 107.32 110.66 3f90 s GLY 61 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.93 3f90 s GLY 61 CO 0.00 0.63 -0.03 1.98 0.00 0.00 0.00 173.10 175.68 3f90 h MET 62 N 3.72 0.00 0.00 2.90 4.05 -1.97 -3.43 114.93 120.20 3f90 h MET 62 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 3f90 h MET 62 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 3f90 h MET 62 CO 0.65 0.00 -0.09 0.93 0.23 0.00 0.00 176.91 178.63 3f90 h GLU 63 N -0.76 0.00 -7.30 0.39 5.08 -2.02 -3.42 114.58 106.54 3f90 h GLU 63 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3f90 h GLU 63 Cb 0.08 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.44 3f90 h GLU 63 CO 0.00 0.00 0.19 -0.51 -1.00 0.00 0.00 179.01 177.69 3f90 s ASP 64 N -5.10 3.97 -0.10 1.42 1.11 -1.26 -4.87 116.67 111.83 3f90 s ASP 64 Ca -0.03 -0.26 -0.28 0.00 0.18 0.00 0.00 52.55 52.16 3f90 s ASP 64 Cb 0.00 0.01 -0.02 0.00 1.07 0.00 0.00 42.92 43.98 3f90 s ASP 64 CO 0.04 -2.13 0.93 -0.22 1.18 0.00 0.00 175.17 174.96 3f90 s LEU 65 N -5.35 4.26 -0.21 1.23 1.98 -1.26 -4.26 118.68 115.08 3f90 s LEU 65 Ca 0.69 1.44 -0.02 0.00 -2.89 0.00 0.00 54.13 53.34 3f90 s LEU 65 Cb -0.04 -3.43 0.06 0.00 0.66 0.00 0.00 46.19 43.44 3f90 s LEU 65 CO 0.47 -0.36 0.03 -0.70 -1.89 0.00 0.00 176.35 173.90 3f90 s GLU 66 N 1.72 0.75 0.33 1.98 2.12 -1.26 -4.88 118.70 119.46 3f90 s GLU 66 Ca 0.45 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 3f90 s GLU 66 Cb -0.18 -2.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.97 3f90 s GLU 66 CO 0.19 -0.67 1.26 -1.64 -0.54 0.00 0.00 175.26 173.86 3f90 s MET 67 N 1.80 4.38 0.23 4.30 -1.94 -1.26 -0.44 119.30 126.37 3f90 s MET 67 Ca -0.01 2.11 -0.27 0.00 -1.71 0.00 0.00 55.69 55.81 3f90 s MET 67 Cb -0.17 -3.06 -0.16 0.00 2.01 0.00 0.00 34.83 33.44 3f90 s MET 67 CO -0.09 -0.13 0.56 0.94 -0.01 0.00 0.00 175.02 176.29 3f90 n GLN 68 N 0.81 0.20 -0.26 2.03 0.00 0.41 -4.55 117.38 116.02 3f90 n GLN 68 Ca 0.00 0.07 -0.06 0.00 -0.00 0.00 0.00 57.00 57.01 3f90 n GLN 68 Cb 0.43 -1.13 0.06 0.00 0.00 0.00 0.00 30.24 29.59 3f90 n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3f90 h ASP 69 N 1.09 0.94 0.01 1.69 1.82 -1.92 0.25 116.42 120.30 3f90 h ASP 69 Ca -0.30 -0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.11 3f90 h ASP 69 Cb 1.43 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 3f90 h ASP 69 CO 0.57 0.79 -0.33 0.44 -1.61 0.00 0.00 179.24 179.10 3f90 h ASP 70 N 1.01 0.47 1.14 2.28 3.32 -1.96 -2.70 116.42 119.99 3f90 h ASP 70 Ca 0.25 -0.18 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 3f90 h ASP 70 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3f90 h ASP 70 CO -0.04 0.77 -0.89 0.15 -1.72 0.00 0.00 179.24 177.52 3f90 h PHE 71 N 0.39 0.00 -0.59 4.55 3.57 -1.80 -3.28 116.94 119.78 3f90 h PHE 71 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3f90 h PHE 71 Cb 0.77 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 3f90 h PHE 71 CO 0.02 0.72 0.34 1.25 -2.23 0.00 0.00 178.31 178.41 3f90 h LEU 72 N 0.00 0.72 -2.22 0.59 5.85 -0.74 0.57 115.31 120.09 3f90 h LEU 72 Ca -0.05 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3f90 h LEU 72 Cb 1.59 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3f90 h LEU 72 CO 0.09 0.59 0.00 0.28 -0.34 0.00 0.00 178.44 179.06 3f90 h SER 73 N 0.80 0.00 0.18 1.25 0.02 -1.57 -1.82 113.55 112.41 3f90 h SER 73 Ca 0.21 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.84 3f90 h SER 73 Cb 0.02 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 3f90 h SER 73 CO -0.04 0.00 -2.12 -0.11 -1.14 0.00 0.00 176.83 173.43 3f90 n LEU 74 N -2.97 0.31 -0.12 5.07 7.94 -0.43 -4.11 117.00 122.70 3f90 n LEU 74 Ca -0.01 0.15 -0.04 0.00 -1.11 0.00 0.00 56.01 54.99 3f90 n LEU 74 Cb 0.15 0.36 0.17 0.00 0.53 0.00 0.00 43.42 44.63 3f90 n LEU 74 CO 0.21 0.43 0.93 0.15 -1.11 0.00 0.00 177.39 178.00 3f90 h PHE 75 N 0.00 0.86 0.00 1.96 3.57 0.51 -2.43 116.94 121.42 3f90 h PHE 75 Ca -0.43 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 60.97 3f90 h PHE 75 Cb 2.10 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.59 3f90 h PHE 75 CO 0.00 0.76 0.00 0.93 -2.23 0.00 0.00 178.31 177.77 3f90 h GLU 76 N 0.78 0.00 0.00 1.11 5.08 -1.49 -2.28 114.58 117.78 3f90 h GLU 76 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3f90 h GLU 76 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3f90 h GLU 76 CO 0.01 0.00 -0.42 0.39 -1.00 0.00 0.00 179.01 177.99 3f90 n GLU 77 N -2.36 1.42 0.30 2.33 1.02 -0.93 -4.75 120.64 117.67 3f90 n GLU 77 Ca 0.00 -3.05 0.17 0.00 -0.02 0.00 0.00 57.16 54.26 3f90 n GLU 77 Cb 0.13 -1.49 0.98 0.00 -0.02 0.00 0.00 31.44 31.04 3f90 n GLU 77 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3f90 h PHE 78 N 0.77 0.00 0.00 -0.32 -1.00 -1.25 -1.26 116.94 113.88 3f90 h PHE 78 Ca -0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 3f90 h PHE 78 Cb 1.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 3f90 h PHE 78 CO 0.56 0.00 -0.18 0.38 -1.61 0.00 0.00 178.31 177.46 3f90 h ASP 79 N 0.00 0.00 0.18 2.17 2.03 -1.85 -3.08 116.42 115.87 3f90 h ASP 79 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3f90 h ASP 79 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3f90 h ASP 79 CO -0.00 0.18 -0.50 0.54 -1.03 0.00 0.00 179.24 178.43 3f90 n ARG 80 N -3.33 0.61 0.07 4.15 1.74 -0.48 -4.41 116.66 115.01 3f90 n ARG 80 Ca 0.00 -0.43 -0.13 0.00 -0.77 0.00 0.00 57.85 56.52 3f90 n ARG 80 Cb 0.42 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 3f90 n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3f90 h ILE 81 N 1.06 1.03 0.00 0.55 2.04 -1.41 -0.09 117.51 120.68 3f90 h ILE 81 Ca 0.00 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3f90 h ILE 81 Cb 0.57 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3f90 h ILE 81 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.94 3f90 n GLY 82 N -0.15 0.74 0.00 5.37 0.00 -1.26 -2.27 105.19 107.63 3f90 n GLY 82 Ca -0.09 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.51 3f90 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f90 n LEU 83 N 0.00 0.58 -4.63 0.99 4.77 -1.26 -4.70 117.00 112.74 3f90 n LEU 83 Ca 0.00 -0.06 -0.49 0.00 -0.03 0.00 0.00 56.01 55.42 3f90 n LEU 83 Cb 0.00 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3f90 n LEU 83 CO 0.00 0.13 1.58 0.00 -1.33 0.00 0.00 177.39 177.77 3f90 n ALA 84 N -1.52 0.92 0.00 -1.18 0.00 -1.19 -1.45 120.51 116.09 3f90 n ALA 84 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3f90 n ALA 84 Cb 0.34 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.26 3f90 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f90 n GLY 85 N 4.93 2.71 3.80 0.00 0.00 0.18 -4.90 105.19 111.91 3f90 n GLY 85 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 3f90 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f90 s ARG 86 N -0.38 4.39 0.35 1.61 0.52 -0.53 -4.67 118.95 120.24 3f90 s ARG 86 Ca 0.00 0.99 -0.27 0.00 -0.52 0.00 0.00 55.73 55.92 3f90 s ARG 86 Cb 0.00 -3.09 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 3f90 s ARG 86 CO 0.00 0.50 1.22 0.15 0.02 0.00 0.00 175.30 177.19 3f90 s LYS 87 N -1.51 4.28 -0.01 3.54 1.02 -1.16 -1.25 119.74 124.65 3f90 s LYS 87 Ca 0.38 2.01 -0.06 0.00 0.02 0.00 0.00 55.97 58.32 3f90 s LYS 87 Cb -0.20 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3f90 s LYS 87 CO 0.23 -0.18 0.12 0.08 -0.92 0.00 0.00 175.35 174.68 3f90 s VAL 88 N -1.24 0.06 -0.04 3.17 1.01 0.33 -0.86 120.40 122.82 3f90 s VAL 88 Ca 0.51 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3f90 s VAL 88 Cb -0.35 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3f90 s VAL 88 CO 0.46 -0.27 0.25 0.00 0.00 0.00 0.00 175.10 175.53 3f90 s ALA 89 N -0.93 -0.62 0.10 5.51 0.00 -0.93 -2.12 121.76 122.77 3f90 s ALA 89 Ca -0.10 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.31 3f90 s ALA 89 Cb -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3f90 s ALA 89 CO 0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 175.76 175.44 3f90 s ALA 90 N -0.77 2.82 0.17 0.00 0.00 -1.26 -1.21 121.76 121.51 3f90 s ALA 90 Ca -0.09 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 3f90 s ALA 90 Cb -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3f90 s ALA 90 CO 0.02 0.62 0.37 -0.59 0.00 0.00 0.00 175.76 176.18 3f90 s PHE 91 N -1.16 0.20 0.03 0.00 -0.71 -0.20 -0.62 117.98 115.52 3f90 s PHE 91 Ca 0.19 -0.56 -0.29 0.00 -1.04 0.00 0.00 56.93 55.23 3f90 s PHE 91 Cb -0.11 0.11 0.10 0.00 -1.21 0.00 0.00 43.02 41.92 3f90 s PHE 91 CO 0.11 -0.79 1.19 0.00 -1.34 0.00 0.00 175.22 174.40 3f90 s ALA 92 N -3.93 -2.07 0.05 1.99 0.00 -0.26 -2.67 121.76 114.87 3f90 s ALA 92 Ca 0.14 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.72 3f90 s ALA 92 Cb 0.02 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 3f90 s ALA 92 CO -0.01 -1.04 -0.17 0.45 0.00 0.00 0.00 175.76 174.99 3f90 s SER 93 N -2.95 3.90 0.35 0.00 0.15 -1.26 -3.06 113.70 110.82 3f90 s SER 93 Ca 0.13 -0.41 -0.17 0.00 0.70 0.00 0.00 55.95 56.20 3f90 s SER 93 Cb 0.03 -0.65 0.05 0.00 -1.71 0.00 0.00 66.02 63.74 3f90 s SER 93 CO -0.02 0.25 0.81 -0.83 1.20 0.00 0.00 173.24 174.65 3f90 s GLY 94 N -1.53 0.28 -0.09 9.45 0.00 -0.14 -4.30 107.32 110.99 3f90 s GLY 94 Ca 0.15 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.27 3f90 s GLY 94 CO 0.06 -0.01 -0.21 -0.35 0.00 0.00 0.00 173.10 172.59 3f90 s ASP 95 N -3.08 3.36 0.48 1.64 -1.08 -1.26 -4.09 116.67 112.63 3f90 s ASP 95 Ca 0.15 -0.47 0.27 0.00 -0.52 0.00 0.00 52.55 51.99 3f90 s ASP 95 Cb -0.05 -1.24 0.94 0.00 -1.46 0.00 0.00 42.92 41.12 3f90 s ASP 95 CO 0.10 0.20 1.83 1.56 0.52 0.00 0.00 175.17 179.38 3f90 h GLN 96 N 6.41 0.00 -0.77 4.34 4.20 -2.00 -2.77 115.11 124.52 3f90 h GLN 96 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3f90 h GLN 96 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3f90 h GLN 96 CO 0.49 0.10 0.00 0.39 -0.67 0.00 0.00 178.83 179.14 3f90 n GLU 97 N -3.20 0.71 -4.49 1.46 1.02 -1.26 -4.73 120.64 110.16 3f90 n GLU 97 Ca 0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 3f90 n GLU 97 Cb 0.42 -1.34 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 3f90 n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3f90 s TYR 98 N -0.87 2.14 -0.79 -0.32 1.51 -1.05 -5.07 117.35 112.90 3f90 s TYR 98 Ca 0.00 -0.75 0.24 0.00 -1.01 0.00 0.00 57.07 55.55 3f90 s TYR 98 Cb 0.00 -1.36 0.36 0.00 -0.11 0.00 0.00 41.96 40.85 3f90 s TYR 98 CO 0.00 0.27 1.31 -1.91 -1.11 0.00 0.00 175.55 174.11 3f90 n GLU 99 N -0.73 0.17 -2.89 -0.62 2.13 -1.26 -4.19 120.64 113.25 3f90 n GLU 99 Ca -0.04 0.03 -0.20 0.00 0.66 0.00 0.00 57.16 57.61 3f90 n GLU 99 Cb 0.65 -1.59 -0.02 0.00 0.27 0.00 0.00 31.44 30.76 3f90 n GLU 99 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3f90 n HIS 100 N -1.82 2.09 -1.55 4.31 8.25 -1.26 -5.06 115.22 120.18 3f90 n HIS 100 Ca 0.04 -3.55 -0.55 0.00 -0.26 0.00 0.00 57.72 53.40 3f90 n HIS 100 Cb 0.39 -0.37 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 3f90 n HIS 100 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f90 n PHE 101 N -0.08 1.78 -3.87 4.41 7.35 -1.26 -0.36 117.46 125.43 3f90 n PHE 101 Ca 0.26 0.44 -0.30 0.00 -0.76 0.00 0.00 57.45 57.09 3f90 n PHE 101 Cb 0.61 -2.48 -0.04 0.00 0.35 0.00 0.00 39.48 37.92 3f90 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f90 n GLY 103 N -1.02 -0.64 0.08 0.00 0.00 0.51 -1.31 105.19 102.82 3f90 n GLY 103 Ca 0.07 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3f90 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f90 n ALA 104 N -0.83 2.63 0.16 4.61 0.00 -1.26 -3.49 120.51 122.33 3f90 n ALA 104 Ca 0.10 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3f90 n ALA 104 Cb 0.05 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 3f90 n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3f90 h VAL 105 N 0.00 0.52 -0.71 0.00 2.07 -1.48 -1.12 116.25 115.53 3f90 h VAL 105 Ca 0.00 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3f90 h VAL 105 Cb 0.74 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3f90 h VAL 105 CO 0.00 0.11 0.47 1.55 0.02 0.00 0.00 177.57 179.71 3f90 h PRO 106 N -0.92 0.90 -0.56 1.57 0.13 -1.75 -1.95 132.00 129.42 3f90 h PRO 106 Ca -0.05 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3f90 h PRO 106 Cb 0.53 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.42 3f90 h PRO 106 CO 0.08 0.59 0.34 0.00 -0.23 0.00 0.00 178.00 178.78 3f90 h ALA 107 N 1.57 0.72 -0.28 -0.56 0.00 -1.58 -1.84 119.26 117.29 3f90 h ALA 107 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3f90 h ALA 107 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3f90 h ALA 107 CO -0.06 0.07 0.04 0.82 0.00 0.00 0.00 179.25 180.12 3f90 h ILE 108 N 0.68 1.23 0.58 0.00 2.04 -0.85 -2.74 117.51 118.45 3f90 h ILE 108 Ca 0.22 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3f90 h ILE 108 Cb 0.01 1.21 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3f90 h ILE 108 CO -0.09 0.26 -0.28 -0.33 0.00 0.00 0.00 178.15 177.71 3f90 h GLU 109 N 0.28 -0.74 -0.27 2.37 5.08 -1.18 -1.63 114.58 118.50 3f90 h GLU 109 Ca 0.09 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3f90 h GLU 109 Cb 0.34 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 3f90 h GLU 109 CO 0.01 -0.44 -0.46 0.93 -1.00 0.00 0.00 179.01 178.05 3f90 h GLU 110 N -0.96 -0.42 -0.93 2.33 3.07 -1.43 0.44 114.58 116.68 3f90 h GLU 110 Ca -0.08 0.03 0.23 0.00 -0.50 0.00 0.00 59.36 59.04 3f90 h GLU 110 Cb 0.65 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.59 3f90 h GLU 110 CO 0.13 -0.28 0.62 -0.09 -1.40 0.00 0.00 179.01 178.00 3f90 h ARG 111 N -0.43 0.30 0.21 2.33 9.65 -1.50 0.76 114.38 125.69 3f90 h ARG 111 Ca 0.09 -0.02 -0.29 0.00 -1.10 0.00 0.00 59.98 58.67 3f90 h ARG 111 Cb 0.62 -0.07 0.03 0.00 -1.39 0.00 0.00 29.97 29.16 3f90 h ARG 111 CO -0.49 0.20 -1.24 0.00 2.80 0.00 0.00 179.97 181.23 3f90 h ALA 112 N 1.59 -0.13 -0.28 2.80 0.00 0.24 -2.79 119.26 120.70 3f90 h ALA 112 Ca 0.48 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3f90 h ALA 112 Cb 1.37 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3f90 h ALA 112 CO -0.16 0.59 -0.01 0.87 0.00 0.00 0.00 179.25 180.55 3f90 h LYS 113 N -0.01 0.42 -0.17 0.00 1.57 0.35 0.13 116.57 118.87 3f90 h LYS 113 Ca -0.21 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 3f90 h LYS 113 Cb 1.98 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.21 3f90 h LYS 113 CO 0.23 0.46 -0.12 0.93 -0.57 0.00 0.00 179.45 180.38 3f90 h GLU 114 N 0.41 0.27 -0.38 3.15 5.08 -0.86 -2.11 114.58 120.14 3f90 h GLU 114 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3f90 h GLU 114 Cb 0.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3f90 h GLU 114 CO 0.01 0.41 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 3f90 n LEU 115 N -4.27 2.34 0.00 1.33 4.77 -0.84 -4.90 117.00 115.43 3f90 n LEU 115 Ca -0.00 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3f90 n LEU 115 Cb 0.27 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3f90 n LEU 115 CO 0.38 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3f90 n GLY 116 N 1.23 0.78 3.86 -0.72 0.00 -0.79 -3.14 105.19 106.40 3f90 n GLY 116 Ca 0.16 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3f90 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f90 s ALA 117 N -2.00 3.22 -0.34 4.61 0.00 0.39 -0.65 121.76 126.99 3f90 s ALA 117 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 3f90 s ALA 117 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.25 3f90 s ALA 117 CO 0.00 -0.10 0.14 0.99 0.00 0.00 0.00 175.76 176.79 3f90 s THR 118 N -2.47 4.13 0.18 0.00 2.01 -0.38 -4.19 115.64 114.93 3f90 s THR 118 Ca 0.55 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 3f90 s THR 118 Cb -0.10 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 3f90 s THR 118 CO 0.31 -0.14 1.52 -0.63 -0.69 0.00 0.00 174.62 174.98 3f90 s ILE 119 N 1.48 2.69 -0.95 1.82 -1.09 -1.25 -0.51 121.20 123.39 3f90 s ILE 119 Ca 0.01 0.52 0.09 0.00 -2.23 0.00 0.00 60.65 59.03 3f90 s ILE 119 Cb -0.19 -3.33 0.18 0.00 -1.58 0.00 0.00 42.46 37.54 3f90 s ILE 119 CO 0.04 0.05 1.03 2.30 -1.23 0.00 0.00 174.94 177.13 3f90 n ILE 120 N 3.52 0.56 -3.57 2.92 -5.35 -0.90 -4.86 119.36 111.68 3f90 n ILE 120 Ca 0.12 -0.78 -0.09 0.00 -0.27 0.00 0.00 62.75 61.73 3f90 n ILE 120 Cb 0.39 0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 39.06 3f90 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f90 s ALA 121 N -0.90 -1.94 -0.04 -1.28 0.00 -1.26 -4.61 121.76 111.73 3f90 s ALA 121 Ca 0.16 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 3f90 s ALA 121 Cb 0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3f90 s ALA 121 CO 0.13 -0.43 1.32 -2.00 0.00 0.00 0.00 175.76 174.78 3f90 s GLU 122 N -1.73 4.30 0.43 0.00 2.12 -1.26 -4.77 118.70 117.79 3f90 s GLU 122 Ca 0.02 1.83 -0.20 0.00 0.36 0.00 0.00 54.97 56.97 3f90 s GLU 122 Cb -0.01 -3.60 -0.15 0.00 0.26 0.00 0.00 34.13 30.62 3f90 s GLU 122 CO -0.02 -0.55 0.04 0.41 -0.54 0.00 0.00 175.26 174.60 3f90 n GLY 123 N 3.55 -2.84 3.42 -1.50 0.00 -1.26 -4.92 105.19 101.64 3f90 n GLY 123 Ca 0.13 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3f90 n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f90 s LEU 124 N 4.49 5.28 -0.31 0.99 2.96 0.21 -4.98 118.68 127.31 3f90 s LEU 124 Ca 0.59 -1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3f90 s LEU 124 Cb -0.61 -2.15 0.04 0.00 0.50 0.00 0.00 46.19 43.98 3f90 s LEU 124 CO 0.63 -0.53 0.04 -0.54 -1.32 0.00 0.00 176.35 174.64 3f90 s LYS 125 N 1.64 2.55 0.09 1.98 1.02 -1.26 -1.10 119.74 124.66 3f90 s LYS 125 Ca 0.04 -1.20 0.02 0.00 0.02 0.00 0.00 55.97 54.85 3f90 s LYS 125 Cb -0.21 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 3f90 s LYS 125 CO 0.08 -0.62 0.06 0.00 -0.92 0.00 0.00 175.35 173.95 3f90 n MET 126 N 4.71 0.25 -4.43 1.68 0.00 -1.17 -5.04 117.12 113.11 3f90 n MET 126 Ca -0.13 -0.84 -0.25 0.00 0.00 0.00 0.00 57.70 56.48 3f90 n MET 126 Cb 0.44 0.64 -0.10 0.00 0.00 0.00 0.00 33.22 34.20 3f90 n MET 126 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3f90 s GLU 127 N -2.35 1.68 3.11 3.17 2.02 -1.26 -0.97 118.70 124.10 3f90 s GLU 127 Ca 0.09 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.44 3f90 s GLU 127 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.40 3f90 s GLU 127 CO 0.06 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3f90 n GLY 128 N -0.30 0.96 1.57 -1.39 0.00 -1.26 -4.66 105.19 100.12 3f90 n GLY 128 Ca -0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 3f90 n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f90 n ASP 129 N -3.08 0.18 0.24 1.61 3.85 -1.26 -4.65 116.55 113.43 3f90 n ASP 129 Ca 0.00 -1.27 0.15 0.00 -0.71 0.00 0.00 54.79 52.97 3f90 n ASP 129 Cb 0.00 -0.37 0.55 0.00 -1.35 0.00 0.00 41.12 39.94 3f90 n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f90 h ALA 130 N -1.54 1.00 0.00 2.12 0.00 -1.80 -2.61 119.26 116.43 3f90 h ALA 130 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3f90 h ALA 130 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3f90 h ALA 130 CO 0.13 0.00 -0.17 0.66 0.00 0.00 0.00 179.25 179.87 3f90 h SER 131 N 0.00 0.00 1.09 0.00 4.64 -1.93 -2.91 113.55 114.44 3f90 h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f90 h SER 131 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3f90 h SER 131 CO 0.00 0.17 0.00 -3.20 -0.87 0.00 0.00 176.83 172.93 3f90 n ASN 132 N -3.14 0.72 -2.72 4.97 5.15 -0.98 -4.29 115.26 114.96 3f90 n ASN 132 Ca 0.03 0.62 -0.07 0.00 -0.60 0.00 0.00 54.58 54.56 3f90 n ASN 132 Cb 0.60 -0.79 0.07 0.00 -0.53 0.00 0.00 39.78 39.12 3f90 n ASN 132 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3f90 n ASP 133 N -2.23 -2.37 0.22 1.20 -0.08 -1.21 -5.00 116.55 107.08 3f90 n ASP 133 Ca 0.04 -2.96 0.07 0.00 -1.51 0.00 0.00 54.79 50.44 3f90 n ASP 133 Cb 0.33 1.57 0.50 0.00 2.34 0.00 0.00 41.12 45.86 3f90 n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f90 h PRO 134 N 3.55 0.00 -0.49 -0.67 0.13 -1.70 -2.52 132.00 130.31 3f90 h PRO 134 Ca -0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 3f90 h PRO 134 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3f90 h PRO 134 CO 0.17 0.26 -0.21 0.93 -0.23 0.00 0.00 178.00 178.91 3f90 h GLU 135 N 0.00 1.00 -0.50 0.86 5.08 -1.95 0.45 114.58 119.51 3f90 h GLU 135 Ca -0.00 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 57.83 3f90 h GLU 135 Cb 0.56 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3f90 h GLU 135 CO 0.03 1.11 -0.07 0.00 -1.00 0.00 0.00 179.01 179.08 3f90 h ALA 136 N 0.87 0.69 0.37 3.43 0.00 -1.88 0.81 119.26 123.55 3f90 h ALA 136 Ca 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3f90 h ALA 136 Cb 0.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3f90 h ALA 136 CO 0.07 0.56 -0.18 0.28 0.00 0.00 0.00 179.25 179.98 3f90 h VAL 137 N 0.80 0.64 0.16 0.00 2.07 -1.33 -2.40 116.25 116.19 3f90 h VAL 137 Ca 0.13 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3f90 h VAL 137 Cb 0.62 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3f90 h VAL 137 CO 0.04 0.00 -0.49 0.00 0.02 0.00 0.00 177.57 177.15 3f90 h ALA 138 N 0.13 -0.91 -0.82 1.67 0.00 -0.78 -0.96 119.26 117.60 3f90 h ALA 138 Ca -0.05 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 54.95 3f90 h ALA 138 Cb 0.38 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 3f90 h ALA 138 CO 0.08 -1.08 0.25 1.03 0.00 0.00 0.00 179.25 179.53 3f90 h SER 139 N -0.74 0.09 -0.24 0.00 0.87 -0.85 0.41 113.55 113.09 3f90 h SER 139 Ca 0.00 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3f90 h SER 139 Cb 0.75 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 3f90 h SER 139 CO -0.25 -0.06 -0.02 0.15 -0.53 0.00 0.00 176.83 176.12 3f90 h PHE 140 N 0.29 0.49 -0.12 2.24 3.57 -0.93 -1.21 116.94 121.28 3f90 h PHE 140 Ca 0.49 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 3f90 h PHE 140 Cb 0.91 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3f90 h PHE 140 CO -0.23 0.64 -0.09 0.00 -2.23 0.00 0.00 178.31 176.39 3f90 h ALA 141 N 0.79 1.63 -0.28 2.41 0.00 -0.35 -0.85 119.26 122.61 3f90 h ALA 141 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3f90 h ALA 141 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3f90 h ALA 141 CO 0.02 0.28 0.13 1.49 0.00 0.00 0.00 179.25 181.16 3f90 h GLU 142 N 0.18 0.40 0.00 0.00 4.81 0.26 -0.99 114.58 119.25 3f90 h GLU 142 Ca 0.04 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 3f90 h GLU 142 Cb 0.28 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3f90 h GLU 142 CO 0.01 0.40 -0.64 -0.44 -0.73 0.00 0.00 179.01 177.61 3f90 h ASP 143 N 0.31 0.00 -0.26 1.04 3.32 -0.68 -2.75 116.42 117.39 3f90 h ASP 143 Ca 0.09 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 3f90 h ASP 143 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3f90 h ASP 143 CO -0.01 0.64 -0.31 0.58 -1.72 0.00 0.00 179.24 178.42 3f90 h VAL 144 N 0.00 1.31 -0.35 -1.35 2.07 -1.08 -3.26 116.25 113.58 3f90 h VAL 144 Ca -0.01 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 3f90 h VAL 144 Cb 1.26 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3f90 h VAL 144 CO 0.08 0.47 -0.01 -0.07 0.02 0.00 0.00 177.57 178.07 3f90 h LEU 145 N 0.40 0.52 -2.37 2.57 3.38 -1.08 -2.15 115.31 116.58 3f90 h LEU 145 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3f90 h LEU 145 Cb 0.89 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3f90 h LEU 145 CO 0.08 0.60 -0.04 0.11 0.09 0.00 0.00 178.44 179.28 3f90 h LYS 146 N 0.53 0.00 -0.01 1.13 1.79 -1.53 -2.50 116.57 115.97 3f90 h LYS 146 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3f90 h LYS 146 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3f90 h LYS 146 CO 0.01 0.04 -0.60 1.04 -1.08 0.00 0.00 179.45 178.86 3f90 n GLN 147 N -3.44 0.86 0.00 3.15 1.13 -0.82 -5.13 117.38 113.13 3f90 n GLN 147 Ca -0.02 -0.70 0.14 0.00 -1.94 0.00 0.00 57.00 54.48 3f90 n GLN 147 Cb 0.15 -1.49 0.62 0.00 0.11 0.00 0.00 30.24 29.63 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90