#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 4.06 -0.07 1.43 1.02 -1.26 -1.69 119.74 123.24 3f90 s LYS 3 Ca 0.00 0.24 0.04 0.00 0.02 0.00 0.00 55.97 56.27 3f90 s LYS 3 Cb 0.00 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 3f90 s LYS 3 CO 0.00 -0.31 -0.20 0.08 -0.92 0.00 0.00 175.35 174.00 3f90 s VAL 4 N 2.17 2.52 -0.26 3.17 1.01 0.14 -0.93 120.40 128.22 3f90 s VAL 4 Ca 0.19 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3f90 s VAL 4 Cb -0.16 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3f90 s VAL 4 CO 0.09 0.57 -0.00 -0.22 0.00 0.00 0.00 175.10 175.54 3f90 s LEU 5 N -0.25 3.41 -0.42 3.92 2.96 -0.36 -0.71 118.68 127.24 3f90 s LEU 5 Ca -0.00 -0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 53.05 3f90 s LEU 5 Cb -0.13 -1.76 0.06 0.00 0.50 0.00 0.00 46.19 44.86 3f90 s LEU 5 CO 0.03 -0.14 0.28 -0.63 -1.32 0.00 0.00 176.35 174.57 3f90 s ILE 6 N 1.41 4.67 -0.14 6.68 1.01 -0.48 0.11 121.20 134.47 3f90 s ILE 6 Ca 0.02 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 3f90 s ILE 6 Cb -0.17 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3f90 s ILE 6 CO -0.02 -0.42 0.00 -0.69 0.00 0.00 0.00 174.94 173.81 3f90 s VAL 7 N 1.54 4.27 0.02 2.92 1.01 0.13 -0.50 120.40 129.79 3f90 s VAL 7 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3f90 s VAL 7 Cb -0.22 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3f90 s VAL 7 CO 0.05 0.53 -0.00 0.72 0.00 0.00 0.00 175.10 176.40 3f90 s PHE 8 N -0.10 0.28 -0.25 5.22 -0.12 -0.73 0.57 117.98 122.84 3f90 s PHE 8 Ca 0.04 -0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 56.34 3f90 s PHE 8 Cb -0.13 -0.20 0.04 0.00 -0.63 0.00 0.00 43.02 42.09 3f90 s PHE 8 CO 0.02 -0.24 -0.07 0.20 -0.05 0.00 0.00 175.22 175.07 3f90 s GLY 9 N -1.74 1.63 -0.07 1.99 0.00 0.46 -0.43 107.32 109.17 3f90 s GLY 9 Ca -0.11 -1.55 0.03 0.00 0.00 0.00 0.00 44.72 43.09 3f90 s GLY 9 CO -0.02 0.54 -0.14 -0.45 0.00 0.00 0.00 173.10 173.03 3f90 s SER 10 N 1.27 1.98 -0.18 1.64 0.15 -1.26 -3.13 113.70 114.17 3f90 s SER 10 Ca -0.02 -0.34 0.12 0.00 0.70 0.00 0.00 55.95 56.42 3f90 s SER 10 Cb -0.17 -0.90 -0.20 0.00 -1.71 0.00 0.00 66.02 63.04 3f90 s SER 10 CO -0.05 0.06 0.01 -1.20 1.20 0.00 0.00 173.24 173.26 3f90 n SER 11 N 3.75 1.09 -0.25 5.45 7.64 -1.26 -4.53 113.62 125.51 3f90 n SER 11 Ca -0.22 -0.02 0.03 0.00 1.01 0.00 0.00 58.87 59.66 3f90 n SER 11 Cb 0.52 0.67 0.03 0.00 -1.01 0.00 0.00 64.21 64.42 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 -2.73 0.17 0.00 0.44 -2.24 -1.26 -5.02 114.28 103.63 3f90 n THR 12 Ca -0.30 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3f90 n THR 12 Cb 1.03 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.27 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 0.28 0.20 0.09 3.38 0.00 -1.26 -4.98 105.19 102.89 3f90 n GLY 13 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3f90 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f90 h ASN 14 N 0.00 0.17 -0.15 1.61 4.21 -1.95 0.18 115.58 119.66 3f90 h ASN 14 Ca 0.00 -0.38 -0.03 0.00 1.21 0.00 0.00 56.30 57.10 3f90 h ASN 14 Cb 0.00 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 3f90 h ASN 14 CO 0.00 0.51 0.02 0.74 -1.29 0.00 0.00 177.43 177.42 3f90 h THR 15 N -0.17 1.13 -0.57 2.81 2.02 -1.86 0.04 112.91 116.31 3f90 h THR 15 Ca 0.02 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3f90 h THR 15 Cb 0.44 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3f90 h THR 15 CO 0.01 0.17 0.19 -0.08 0.37 0.00 0.00 175.52 176.18 3f90 h GLU 16 N 0.33 0.88 -0.11 6.66 4.81 -1.79 -1.48 114.58 123.88 3f90 h GLU 16 Ca 0.08 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 3f90 h GLU 16 Cb 0.19 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3f90 h GLU 16 CO 0.00 0.79 -0.43 1.03 -0.73 0.00 0.00 179.01 179.67 3f90 h SER 17 N 0.80 0.28 0.50 1.04 0.87 0.10 0.55 113.55 117.70 3f90 h SER 17 Ca 0.19 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 3f90 h SER 17 Cb 0.27 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3f90 h SER 17 CO -0.01 0.68 -0.59 0.40 -0.53 0.00 0.00 176.83 176.79 3f90 h ILE 18 N 0.22 1.41 -0.08 2.23 2.04 -0.86 -2.39 117.51 120.08 3f90 h ILE 18 Ca 0.02 -1.99 -0.19 0.00 1.00 0.00 0.00 64.86 63.70 3f90 h ILE 18 Cb 0.85 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3f90 h ILE 18 CO 0.07 0.57 -0.76 0.00 0.00 0.00 0.00 178.15 178.04 3f90 h ALA 19 N 1.34 0.54 0.01 1.87 0.00 -0.81 -1.22 119.26 120.99 3f90 h ALA 19 Ca -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3f90 h ALA 19 Cb 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3f90 h ALA 19 CO 0.08 0.76 -0.01 1.96 0.00 0.00 0.00 179.25 182.04 3f90 h GLN 20 N 0.30 -0.02 0.46 0.00 4.20 -0.80 -1.84 115.11 117.41 3f90 h GLN 20 Ca -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3f90 h GLN 20 Cb 1.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 3f90 h GLN 20 CO 0.13 -0.01 -0.31 -0.22 -0.67 0.00 0.00 178.83 177.75 3f90 h LYS 21 N -0.02 -0.72 -0.80 1.46 1.63 -1.40 -2.50 116.57 114.22 3f90 h LYS 21 Ca -0.00 0.05 0.17 0.00 -0.85 0.00 0.00 60.65 60.02 3f90 h LYS 21 Cb 0.02 0.16 -0.11 0.00 -0.60 0.00 0.00 32.23 31.70 3f90 h LYS 21 CO 0.00 -0.48 0.29 -0.07 -3.45 0.00 0.00 179.45 175.74 3f90 h LEU 22 N -0.75 0.20 -0.56 5.20 3.38 -1.21 0.16 115.31 121.73 3f90 h LEU 22 Ca -0.05 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3f90 h LEU 22 Cb 0.63 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 3f90 h LEU 22 CO 0.03 0.02 0.20 -0.08 0.09 0.00 0.00 178.44 178.70 3f90 h GLU 23 N 0.37 0.37 -0.16 1.13 4.81 -1.09 -0.56 114.58 119.46 3f90 h GLU 23 Ca 0.46 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3f90 h GLU 23 Cb 0.80 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3f90 h GLU 23 CO -0.49 0.25 0.09 1.49 -0.73 0.00 0.00 179.01 179.61 3f90 h GLU 24 N 0.38 0.22 0.00 1.92 4.81 -0.29 -1.78 114.58 119.83 3f90 h GLU 24 Ca 0.28 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3f90 h GLU 24 Cb 0.32 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3f90 h GLU 24 CO -0.28 0.22 -0.50 -0.07 -0.73 0.00 0.00 179.01 177.66 3f90 h LEU 25 N 0.15 0.00 0.00 1.64 3.38 -0.98 -2.44 115.31 117.06 3f90 h LEU 25 Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3f90 h LEU 25 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3f90 h LEU 25 CO -0.01 0.50 -1.10 0.40 0.09 0.00 0.00 178.44 178.32 3f90 h ILE 26 N 0.00 1.07 -0.20 1.22 2.04 -0.99 -3.02 117.51 117.63 3f90 h ILE 26 Ca -0.00 -2.67 -0.10 0.00 1.00 0.00 0.00 64.86 63.08 3f90 h ILE 26 Cb 0.94 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3f90 h ILE 26 CO 0.06 0.61 -0.28 0.00 0.00 0.00 0.00 178.15 178.54 3f90 h ALA 27 N 1.22 0.30 -0.00 1.87 0.00 -1.29 -2.94 119.26 118.42 3f90 h ALA 27 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3f90 h ALA 27 Cb 1.68 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3f90 h ALA 27 CO 0.09 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.79 3f90 h ALA 28 N 0.62 1.17 -0.08 0.00 0.00 -1.45 0.57 119.26 120.08 3f90 h ALA 28 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3f90 h ALA 28 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3f90 h ALA 28 CO 0.07 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.57 3f90 n GLY 29 N -1.15 -0.34 0.74 0.00 0.00 -1.11 -4.91 105.19 98.42 3f90 n GLY 29 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.98 0.59 3.15 -0.02 0.00 0.20 -5.05 105.19 105.03 3f90 n GLY 30 Ca 0.16 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.40 0.25 -0.22 1.61 4.02 -1.12 -4.22 115.29 113.21 3f90 s HIS 31 Ca 0.00 -0.66 -0.16 0.00 1.02 0.00 0.00 55.06 55.26 3f90 s HIS 31 Cb 0.00 -0.16 -0.04 0.00 -1.02 0.00 0.00 32.58 31.36 3f90 s HIS 31 CO 0.00 -0.45 0.43 -1.21 1.02 0.00 0.00 174.74 174.54 3f90 s GLU 32 N -3.44 4.14 -0.06 1.40 8.01 -0.68 -4.42 118.70 123.65 3f90 s GLU 32 Ca 0.02 0.24 0.06 0.00 0.01 0.00 0.00 54.97 55.30 3f90 s GLU 32 Cb 0.04 -3.57 -0.01 0.00 -4.31 0.00 0.00 34.13 26.27 3f90 s GLU 32 CO -0.09 -0.14 -0.25 0.08 0.01 0.00 0.00 175.26 174.88 3f90 s VAL 33 N 1.61 2.04 -0.17 2.63 1.01 -1.26 -0.69 120.40 125.57 3f90 s VAL 33 Ca 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3f90 s VAL 33 Cb -0.15 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3f90 s VAL 33 CO 0.09 0.57 -0.11 -0.89 0.00 0.00 0.00 175.10 174.76 3f90 s THR 34 N -0.17 3.05 -0.22 3.92 2.01 0.12 -4.98 115.64 119.38 3f90 s THR 34 Ca -0.03 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 3f90 s THR 34 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3f90 s THR 34 CO 0.04 0.49 0.35 -0.22 -0.69 0.00 0.00 174.62 174.59 3f90 s LEU 35 N 0.89 4.13 -0.05 4.42 2.96 -1.26 -1.38 118.68 128.39 3f90 s LEU 35 Ca -0.03 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3f90 s LEU 35 Cb -0.15 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.13 3f90 s LEU 35 CO -0.00 -0.06 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.67 3f90 s LEU 36 N 1.36 1.46 0.15 -0.68 0.20 0.35 -4.99 118.68 116.53 3f90 s LEU 36 Ca 0.16 -0.19 -0.28 0.00 0.69 0.00 0.00 54.13 54.52 3f90 s LEU 36 Cb -0.15 -0.59 -0.07 0.00 -0.43 0.00 0.00 46.19 44.95 3f90 s LEU 36 CO 0.08 -0.02 0.86 0.21 -0.29 0.00 0.00 176.35 177.19 3f90 s ASN 37 N 0.80 7.45 0.19 3.68 3.84 -1.26 -1.78 114.94 127.86 3f90 s ASN 37 Ca -0.13 1.72 0.21 0.00 0.21 0.00 0.00 52.86 54.88 3f90 s ASN 37 Cb -0.15 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 38.88 3f90 s ASN 37 CO 0.02 0.10 1.64 0.00 -2.79 0.00 0.00 177.10 176.06 3f90 n ALA 38 N 2.05 1.65 0.19 1.71 0.00 0.43 -1.01 120.51 125.53 3f90 n ALA 38 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3f90 n ALA 38 Cb 0.49 -1.34 0.09 0.00 0.00 0.00 0.00 19.45 18.68 3f90 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f90 h ALA 39 N 2.33 0.73 -0.21 0.00 0.00 -1.81 -3.29 119.26 117.01 3f90 h ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f90 h ALA 39 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3f90 h ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3f90 n ASP 40 N -2.83 3.21 -4.93 0.00 8.00 -0.18 -5.02 116.55 114.80 3f90 n ASP 40 Ca 0.02 -1.98 -0.26 0.00 0.71 0.00 0.00 54.79 53.28 3f90 n ASP 40 Cb 0.53 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.70 3.71 -0.16 2.24 0.00 -0.95 -4.95 121.76 119.95 3f90 s ALA 41 Ca 0.33 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3f90 s ALA 41 Cb 0.21 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.21 3f90 s ALA 41 CO 0.30 0.19 -0.12 -1.12 0.00 0.00 0.00 175.76 175.01 3f90 s SER 42 N -3.50 2.88 0.15 0.00 0.01 -1.26 -5.04 113.70 106.94 3f90 s SER 42 Ca 0.41 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.87 3f90 s SER 42 Cb -0.10 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 65.00 3f90 s SER 42 CO 0.32 -0.09 1.68 0.00 0.41 0.00 0.00 173.24 175.56 3f90 h ALA 43 N 8.04 0.18 -1.41 1.44 0.00 -1.92 -3.37 119.26 122.22 3f90 h ALA 43 Ca -0.34 0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.01 3f90 h ALA 43 Cb 1.12 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3f90 h ALA 43 CO 0.50 -0.48 1.24 -1.91 0.00 0.00 0.00 179.25 178.60 3f90 n GLU 44 N -5.27 1.35 -3.48 0.00 4.07 -1.26 -1.74 120.64 114.32 3f90 n GLU 44 Ca 0.00 0.43 -0.25 0.00 -0.06 0.00 0.00 57.16 57.29 3f90 n GLU 44 Cb 0.19 -2.44 0.05 0.00 -0.06 0.00 0.00 31.44 29.18 3f90 n GLU 44 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3f90 n ASN 45 N 8.23 -5.82 -0.00 4.31 3.02 -0.24 -4.91 115.26 119.84 3f90 n ASN 45 Ca 0.34 -0.50 -0.08 0.00 -0.03 0.00 0.00 54.58 54.30 3f90 n ASN 45 Cb 0.23 -4.64 0.08 0.00 -0.61 0.00 0.00 39.78 34.83 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 -2.08 0.61 0.00 3.41 5.85 -1.03 -3.24 115.31 118.84 3f90 h LEU 46 Ca -0.55 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 57.87 3f90 h LEU 46 Cb 1.36 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3f90 h LEU 46 CO 0.58 0.99 -0.29 0.00 -0.34 0.00 0.00 178.44 179.39 3f90 n ALA 47 N -2.51 2.77 -1.60 1.25 0.00 -0.82 -4.92 120.51 114.68 3f90 n ALA 47 Ca -0.02 -0.18 -0.58 0.00 0.00 0.00 0.00 53.44 52.65 3f90 n ALA 47 Cb 0.56 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.83 1.94 0.00 0.00 9.92 -1.23 -0.39 116.55 124.96 3f90 n ASP 48 Ca 0.05 0.91 0.00 0.00 -0.53 0.00 0.00 54.79 55.22 3f90 n ASP 48 Cb 0.38 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 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 5.10 0.75 3.43 0.44 0.00 -1.26 -5.05 105.19 108.60 3f90 n GLY 49 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.42 3.06 0.47 1.61 1.51 0.47 -4.85 117.35 117.20 3f90 s TYR 50 Ca 0.00 -0.49 0.13 0.00 -1.01 0.00 0.00 57.07 55.70 3f90 s TYR 50 Cb 0.00 -2.18 1.08 0.00 -0.11 0.00 0.00 41.96 40.75 3f90 s TYR 50 CO 0.00 -0.34 2.08 -0.44 -1.11 0.00 0.00 175.55 175.73 3f90 h ASP 51 N 8.01 0.13 -5.01 2.29 3.32 -1.34 -3.45 116.42 120.37 3f90 h ASP 51 Ca -0.38 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 3f90 h ASP 51 Cb 1.17 -0.03 -0.17 0.00 0.22 0.00 0.00 39.33 40.52 3f90 h ASP 51 CO 0.59 0.15 0.03 0.00 -1.72 0.00 0.00 179.24 178.29 3f90 s ALA 52 N -5.05 -1.33 -0.07 3.45 0.00 -0.87 -2.97 121.76 114.92 3f90 s ALA 52 Ca -0.06 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 3f90 s ALA 52 Cb 0.17 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.62 3f90 s ALA 52 CO 0.69 -0.46 0.00 0.08 0.00 0.00 0.00 175.76 176.07 3f90 s VAL 53 N -2.18 0.37 -0.24 0.00 1.01 0.50 -1.22 120.40 118.64 3f90 s VAL 53 Ca -0.07 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3f90 s VAL 53 Cb -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 3f90 s VAL 53 CO 0.00 0.26 0.16 -0.76 0.00 0.00 0.00 175.10 174.77 3f90 s LEU 54 N 1.96 4.12 -0.20 3.92 1.43 0.31 -2.83 118.68 127.39 3f90 s LEU 54 Ca 0.05 0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 3f90 s LEU 54 Cb -0.12 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3f90 s LEU 54 CO -0.05 0.07 0.10 -0.36 0.23 0.00 0.00 176.35 176.33 3f90 s PHE 55 N 1.03 3.30 -0.11 0.29 0.40 -0.05 -0.69 117.98 122.15 3f90 s PHE 55 Ca 0.08 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.57 3f90 s PHE 55 Cb -0.13 -2.14 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 3f90 s PHE 55 CO 0.04 0.15 -0.16 0.20 0.70 0.00 0.00 175.22 176.16 3f90 s GLY 56 N 0.55 1.49 -0.25 4.36 0.00 0.19 -1.65 107.32 112.02 3f90 s GLY 56 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 3f90 s GLY 56 CO 0.00 -0.35 0.44 0.00 0.00 0.00 0.00 173.10 173.20 3f90 s SER 58 N 2.64 5.03 -0.13 0.00 1.04 -1.18 -4.35 113.70 116.74 3f90 s SER 58 Ca 0.12 1.74 -0.13 0.00 0.48 0.00 0.00 55.95 58.15 3f90 s SER 58 Cb -0.15 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 3f90 s SER 58 CO -0.17 -1.68 0.29 0.00 0.98 0.00 0.00 173.24 172.66 3f90 s ALA 59 N -2.91 3.64 -0.33 5.32 0.00 -1.06 -3.20 121.76 123.23 3f90 s ALA 59 Ca 0.60 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 3f90 s ALA 59 Cb -0.16 -2.34 0.12 0.00 0.00 0.00 0.00 23.12 20.74 3f90 s ALA 59 CO 0.54 0.21 0.16 -1.58 0.00 0.00 0.00 175.76 175.09 3f90 s TRP 60 N 0.06 0.83 0.10 0.00 0.52 -1.26 -4.94 118.94 114.25 3f90 s TRP 60 Ca 0.17 -1.41 0.33 0.00 0.02 0.00 0.00 56.10 55.21 3f90 s TRP 60 Cb -0.13 -1.13 1.31 0.00 -1.15 0.00 0.00 33.47 32.37 3f90 s TRP 60 CO 0.05 -0.83 1.97 0.78 0.02 0.00 0.00 176.95 178.94 3f90 h GLY 61 N 7.73 0.00 0.00 0.98 0.00 -1.93 -3.28 103.07 106.56 3f90 h GLY 61 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3f90 h GLY 61 CO 0.39 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.96 3f90 n MET 62 N -3.13 2.60 -0.28 4.80 2.81 -1.26 -4.67 117.12 117.99 3f90 n MET 62 Ca 0.01 0.00 0.23 0.00 -1.81 0.00 0.00 57.70 56.13 3f90 n MET 62 Cb 0.32 0.00 0.38 0.00 -0.71 0.00 0.00 33.22 33.21 3f90 n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f90 n GLU 63 N 0.00 -0.01 -1.69 0.03 1.02 -1.26 -3.61 120.64 115.11 3f90 n GLU 63 Ca 0.00 0.64 -0.32 0.00 -0.02 0.00 0.00 57.16 57.46 3f90 n GLU 63 Cb 0.00 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 3f90 n GLU 63 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3f90 n ASP 64 N -3.53 6.92 -1.99 1.62 9.92 -1.26 -4.77 116.55 123.47 3f90 n ASP 64 Ca 0.22 -3.40 -0.04 0.00 -0.53 0.00 0.00 54.79 51.04 3f90 n ASP 64 Cb 0.90 -1.20 -0.01 0.00 -0.64 0.00 0.00 41.12 40.17 3f90 n ASP 64 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3f90 n LEU 65 N 0.51 -0.35 -1.81 0.64 4.77 -1.24 -1.70 117.00 117.82 3f90 n LEU 65 Ca 0.51 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.64 3f90 n LEU 65 Cb 0.43 -1.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 3f90 n LEU 65 CO 0.41 -0.11 -0.15 1.21 -1.33 0.00 0.00 177.39 177.43 3f90 n GLU 66 N -2.12 -1.63 -4.59 3.23 2.13 -1.24 -5.01 120.64 111.41 3f90 n GLU 66 Ca -0.05 0.77 -0.27 0.00 0.66 0.00 0.00 57.16 58.27 3f90 n GLU 66 Cb 0.39 -5.17 -0.10 0.00 0.27 0.00 0.00 31.44 26.83 3f90 n GLU 66 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3f90 s MET 67 N -3.91 1.92 0.04 5.31 -1.94 -0.69 -4.25 119.30 115.79 3f90 s MET 67 Ca 0.00 -2.13 -0.31 0.00 -1.71 0.00 0.00 55.69 51.55 3f90 s MET 67 Cb 0.00 -1.29 -0.06 0.00 2.01 0.00 0.00 34.83 35.48 3f90 s MET 67 CO 0.00 -0.20 1.39 -1.14 -0.01 0.00 0.00 175.02 175.06 3f90 s GLN 68 N -3.80 4.30 0.00 2.03 -0.44 -1.19 -4.56 119.66 116.00 3f90 s GLN 68 Ca 0.28 2.00 0.00 0.00 -2.50 0.00 0.00 55.36 55.14 3f90 s GLN 68 Cb 0.07 -3.45 0.00 0.00 -1.64 0.00 0.00 33.01 27.99 3f90 s GLN 68 CO 0.14 -0.51 0.00 -0.25 0.50 0.00 0.00 175.29 175.17 3f90 n ASP 69 N 4.81 0.00 0.22 6.67 10.43 -1.26 -0.06 116.55 137.35 3f90 n ASP 69 Ca 0.12 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.54 3f90 n ASP 69 Cb 0.43 0.00 0.48 0.00 1.84 0.00 0.00 41.12 43.88 3f90 n ASP 69 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3f90 h ASP 70 N 0.00 0.00 0.42 -2.24 3.32 -1.92 -2.87 116.42 113.13 3f90 h ASP 70 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3f90 h ASP 70 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3f90 h ASP 70 CO 0.00 0.23 -1.41 0.15 -1.72 0.00 0.00 179.24 176.49 3f90 h PHE 71 N 0.00 0.75 -0.91 4.55 3.57 -0.74 -3.19 116.94 120.97 3f90 h PHE 71 Ca -0.00 -0.55 0.17 0.00 3.53 0.00 0.00 57.97 61.13 3f90 h PHE 71 Cb 0.43 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 3f90 h PHE 71 CO 0.00 1.45 0.59 1.25 -2.23 0.00 0.00 178.31 179.37 3f90 h LEU 72 N 0.11 0.57 -0.21 0.59 7.12 -0.80 0.34 115.31 123.04 3f90 h LEU 72 Ca -0.21 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 3f90 h LEU 72 Cb 2.08 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 42.15 3f90 h LEU 72 CO 0.24 0.25 0.04 0.28 -0.13 0.00 0.00 178.44 179.12 3f90 h SER 73 N 0.59 0.33 0.68 1.25 0.02 -1.56 -1.76 113.55 113.09 3f90 h SER 73 Ca 0.48 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3f90 h SER 73 Cb 0.93 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.39 3f90 h SER 73 CO -0.22 0.49 -0.33 0.25 -1.14 0.00 0.00 176.83 175.89 3f90 h LEU 74 N 0.15 -0.77 -0.61 5.07 5.85 -1.21 -3.27 115.31 120.52 3f90 h LEU 74 Ca 0.06 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3f90 h LEU 74 Cb 0.30 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.42 3f90 h LEU 74 CO 0.00 -0.45 -0.35 0.15 -0.34 0.00 0.00 178.44 177.45 3f90 h PHE 75 N -1.07 -0.99 0.00 1.25 3.57 -0.42 0.51 116.94 119.79 3f90 h PHE 75 Ca -0.09 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3f90 h PHE 75 Cb 0.73 0.52 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3f90 h PHE 75 CO -0.00 -0.39 0.59 0.93 -2.23 0.00 0.00 178.31 177.21 3f90 h GLU 76 N -0.16 0.00 -0.42 1.11 5.08 -1.36 0.37 114.58 119.20 3f90 h GLU 76 Ca 0.23 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.28 3f90 h GLU 76 Cb 0.56 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.56 3f90 h GLU 76 CO -0.70 0.00 -0.69 0.39 -1.00 0.00 0.00 179.01 177.01 3f90 n GLU 77 N -2.65 2.71 -0.16 2.33 1.02 0.18 -4.81 120.64 119.25 3f90 n GLU 77 Ca -0.01 -3.78 0.07 0.00 -0.02 0.00 0.00 57.16 53.41 3f90 n GLU 77 Cb 0.62 -1.98 0.37 0.00 -0.02 0.00 0.00 31.44 30.43 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 1.67 0.72 0.00 -0.32 -1.00 -0.07 -2.38 116.94 115.56 3f90 h PHE 78 Ca 0.20 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3f90 h PHE 78 Cb 1.31 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.63 3f90 h PHE 78 CO 0.80 0.38 0.00 -0.40 -1.61 0.00 0.00 178.31 177.49 3f90 n ASP 79 N -4.48 0.00 -0.15 2.17 5.75 -1.26 -1.77 116.55 116.82 3f90 n ASP 79 Ca 0.10 -0.17 0.10 0.00 -0.01 0.00 0.00 54.79 54.81 3f90 n ASP 79 Cb 0.22 -0.21 -0.08 0.00 -1.03 0.00 0.00 41.12 40.02 3f90 n ASP 79 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f90 n ARG 80 N -1.21 0.36 -0.00 0.11 1.74 -0.89 -4.50 116.66 112.26 3f90 n ARG 80 Ca 0.11 -0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 56.80 3f90 n ARG 80 Cb 0.14 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.73 1.32 -0.11 0.55 2.04 -1.38 -0.63 117.51 120.02 3f90 h ILE 81 Ca 0.00 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.10 3f90 h ILE 81 Cb 0.58 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3f90 h ILE 81 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.31 3f90 n GLY 82 N 0.23 1.24 0.02 5.37 0.00 -1.26 -1.94 105.19 108.84 3f90 n GLY 82 Ca -0.03 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.06 0.10 -4.70 0.99 4.77 -1.26 -4.82 117.00 112.02 3f90 n LEU 83 Ca 0.00 0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 3f90 n LEU 83 Cb 0.09 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 3f90 n LEU 83 CO 0.00 -0.23 1.37 0.00 -1.33 0.00 0.00 177.39 177.20 3f90 n ALA 84 N -1.54 2.43 -1.54 -1.18 0.00 -1.20 -2.18 120.51 115.30 3f90 n ALA 84 Ca 0.04 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 3f90 n ALA 84 Cb 0.22 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.11 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 3.94 1.18 3.60 0.00 0.00 0.48 -4.87 105.19 109.52 3f90 n GLY 85 Ca 0.17 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.41 2.13 0.05 1.61 0.52 -0.93 -4.91 118.95 114.01 3f90 s ARG 86 Ca 0.00 -1.50 -0.27 0.00 -0.52 0.00 0.00 55.73 53.45 3f90 s ARG 86 Cb 0.00 -2.06 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 3f90 s ARG 86 CO 0.00 0.36 0.84 0.15 0.02 0.00 0.00 175.30 176.67 3f90 s LYS 87 N -3.59 4.55 0.03 3.54 1.02 -1.16 -0.48 119.74 123.66 3f90 s LYS 87 Ca 0.31 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.49 3f90 s LYS 87 Cb -0.06 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3f90 s LYS 87 CO 0.18 0.21 -0.04 0.08 -0.92 0.00 0.00 175.35 174.87 3f90 s VAL 88 N 0.15 0.18 0.18 3.17 1.01 -0.12 -0.37 120.40 124.60 3f90 s VAL 88 Ca 0.42 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 3f90 s VAL 88 Cb -0.21 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.76 3f90 s VAL 88 CO 0.25 -0.54 0.52 0.00 0.00 0.00 0.00 175.10 175.33 3f90 s ALA 89 N -1.72 -1.04 0.02 5.51 0.00 -1.13 -1.40 121.76 122.00 3f90 s ALA 89 Ca -0.13 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3f90 s ALA 89 Cb -0.08 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 3f90 s ALA 89 CO -0.02 -0.78 -0.10 0.00 0.00 0.00 0.00 175.76 174.86 3f90 s ALA 90 N -3.85 0.78 0.16 0.00 0.00 -1.26 -0.87 121.76 116.72 3f90 s ALA 90 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 3f90 s ALA 90 Cb -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3f90 s ALA 90 CO -0.05 0.14 0.08 -0.59 0.00 0.00 0.00 175.76 175.34 3f90 s PHE 91 N -0.59 1.01 -0.06 0.00 -0.71 -0.66 -0.54 117.98 116.43 3f90 s PHE 91 Ca 0.00 -1.28 -0.29 0.00 -1.04 0.00 0.00 56.93 54.32 3f90 s PHE 91 Cb -0.06 -0.53 0.11 0.00 -1.21 0.00 0.00 43.02 41.33 3f90 s PHE 91 CO 0.00 -0.55 0.88 0.00 -1.34 0.00 0.00 175.22 174.22 3f90 s ALA 92 N -4.07 -1.85 0.01 1.99 0.00 0.59 -2.17 121.76 116.27 3f90 s ALA 92 Ca 0.30 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.55 3f90 s ALA 92 Cb 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3f90 s ALA 92 CO 0.06 -0.49 -0.05 0.45 0.00 0.00 0.00 175.76 175.72 3f90 s SER 93 N -1.76 4.72 0.00 0.00 0.15 -1.26 -2.49 113.70 113.06 3f90 s SER 93 Ca -0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3f90 s SER 93 Cb -0.01 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 3f90 s SER 93 CO -0.02 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.30 3f90 n GLY 94 N 1.41 1.96 2.82 9.45 0.00 -0.63 -2.55 105.19 117.65 3f90 n GLY 94 Ca -0.15 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 3f90 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f90 s ASP 95 N 0.50 1.08 0.64 1.61 -1.08 -1.26 -3.82 116.67 114.34 3f90 s ASP 95 Ca 0.00 -0.08 0.42 0.00 -0.52 0.00 0.00 52.55 52.36 3f90 s ASP 95 Cb 0.00 -0.39 2.17 0.00 -1.46 0.00 0.00 42.92 43.25 3f90 s ASP 95 CO 0.00 -0.12 2.28 1.56 0.52 0.00 0.00 175.17 179.41 3f90 h GLN 96 N 7.68 0.00 0.00 4.34 1.08 -1.97 -2.62 115.11 123.62 3f90 h GLN 96 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 3f90 h GLN 96 Cb 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3f90 h GLN 96 CO 0.38 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.66 3f90 n GLU 97 N -3.13 0.38 -3.29 1.46 1.02 -1.26 -4.72 120.64 111.09 3f90 n GLU 97 Ca -0.02 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 3f90 n GLU 97 Cb 0.12 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.51 3.34 0.26 -0.32 1.51 -0.99 -5.01 117.35 113.62 3f90 s TYR 98 Ca 0.24 0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.48 3f90 s TYR 98 Cb 0.16 -2.04 0.33 0.00 -0.11 0.00 0.00 41.96 40.30 3f90 s TYR 98 CO 0.35 -0.05 1.73 1.49 -1.11 0.00 0.00 175.55 177.95 3f90 h GLU 99 N 0.67 0.70 -4.55 -0.62 4.81 -1.89 -3.39 114.58 110.32 3f90 h GLU 99 Ca -0.48 -0.22 -0.64 0.00 -0.13 0.00 0.00 59.36 57.88 3f90 h GLU 99 Cb 1.24 -0.06 -0.38 0.00 0.63 0.00 0.00 28.75 30.17 3f90 h GLU 99 CO 0.59 0.79 -0.77 -1.01 -0.73 0.00 0.00 179.01 177.88 3f90 s HIS 100 N -4.79 3.03 -0.45 0.92 3.76 -1.26 -5.08 115.29 111.42 3f90 s HIS 100 Ca -0.09 -2.31 -0.19 0.00 -0.15 0.00 0.00 55.06 52.32 3f90 s HIS 100 Cb 0.14 -2.11 0.03 0.00 1.11 0.00 0.00 32.58 31.76 3f90 s HIS 100 CO 0.81 -0.87 0.53 0.12 -0.85 0.00 0.00 174.74 174.48 3f90 s PHE 101 N 1.17 3.12 -1.30 1.40 5.36 -1.26 -4.40 117.98 122.07 3f90 s PHE 101 Ca -0.00 -0.36 -0.02 0.00 -0.96 0.00 0.00 56.93 55.59 3f90 s PHE 101 Cb -0.19 -3.17 0.01 0.00 -0.34 0.00 0.00 43.02 39.33 3f90 s PHE 101 CO -0.08 -0.83 0.85 0.00 -1.46 0.00 0.00 175.22 173.71 3f90 h GLY 103 N -1.96 0.00 2.00 0.00 0.00 -1.93 -2.57 103.07 98.61 3f90 h GLY 103 Ca -0.60 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3f90 h GLY 103 CO 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 177.00 3f90 h ALA 104 N 2.14 1.19 0.68 3.60 0.00 -1.86 -3.07 119.26 121.93 3f90 h ALA 104 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3f90 h ALA 104 Cb 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3f90 h ALA 104 CO 0.00 0.12 -0.33 0.28 0.00 0.00 0.00 179.25 179.33 3f90 h VAL 105 N 0.00 0.00 -0.86 0.00 2.07 -1.76 -0.70 116.25 115.00 3f90 h VAL 105 Ca -0.00 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.37 3f90 h VAL 105 Cb 0.36 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 3f90 h VAL 105 CO 0.01 0.00 0.51 1.55 0.02 0.00 0.00 177.57 179.66 3f90 h PRO 106 N -1.15 0.82 -0.95 1.57 0.13 -1.77 -1.46 132.00 129.18 3f90 h PRO 106 Ca -0.09 -0.05 0.12 0.00 -0.87 0.00 0.00 66.00 65.11 3f90 h PRO 106 Cb 0.70 -0.18 -0.09 0.00 0.13 0.00 0.00 31.00 31.56 3f90 h PRO 106 CO 0.15 0.54 0.58 0.00 -0.23 0.00 0.00 178.00 179.04 3f90 h ALA 107 N 1.47 1.44 -0.14 -0.56 0.00 -1.47 0.32 119.26 120.32 3f90 h ALA 107 Ca 0.41 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 3f90 h ALA 107 Cb 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3f90 h ALA 107 CO -0.25 0.15 -0.20 0.82 0.00 0.00 0.00 179.25 179.78 3f90 h ILE 108 N 0.90 1.36 -0.30 0.00 2.04 -0.16 -1.28 117.51 120.07 3f90 h ILE 108 Ca 0.48 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.93 3f90 h ILE 108 Cb 0.52 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3f90 h ILE 108 CO -0.28 0.42 0.19 -0.33 0.00 0.00 0.00 178.15 178.14 3f90 h GLU 109 N -0.02 0.38 -0.12 2.37 5.08 -0.86 -1.53 114.58 119.88 3f90 h GLU 109 Ca 0.01 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3f90 h GLU 109 Cb 0.76 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 3f90 h GLU 109 CO 0.05 0.25 -0.31 0.93 -1.00 0.00 0.00 179.01 178.93 3f90 h GLU 110 N 0.39 -0.38 -0.24 2.33 5.08 -0.36 -1.14 114.58 120.26 3f90 h GLU 110 Ca 0.11 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3f90 h GLU 110 Cb -0.03 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3f90 h GLU 110 CO -0.03 -0.25 -0.08 -0.09 -1.00 0.00 0.00 179.01 177.55 3f90 h ARG 111 N -0.39 0.48 -0.22 2.33 9.65 -0.97 -1.99 114.38 123.27 3f90 h ARG 111 Ca 0.09 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.71 3f90 h ARG 111 Cb 0.54 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3f90 h ARG 111 CO -0.34 0.73 -0.15 0.00 2.80 0.00 0.00 179.97 183.00 3f90 h ALA 112 N 0.74 1.33 0.02 2.80 0.00 -1.28 -1.99 119.26 120.88 3f90 h ALA 112 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3f90 h ALA 112 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3f90 h ALA 112 CO 0.03 0.45 -0.01 -0.22 0.00 0.00 0.00 179.25 179.50 3f90 h LYS 113 N 0.35 -0.02 -1.00 0.00 3.64 -1.02 -0.07 116.57 118.43 3f90 h LYS 113 Ca 0.06 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.67 3f90 h LYS 113 Cb 0.48 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.19 3f90 h LYS 113 CO 0.03 0.28 0.61 0.93 -2.27 0.00 0.00 179.45 179.03 3f90 h GLU 114 N -0.32 0.63 -0.55 1.90 5.08 -1.19 -2.07 114.58 118.06 3f90 h GLU 114 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3f90 h GLU 114 Cb 0.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3f90 h GLU 114 CO 0.00 0.42 0.00 1.28 -1.00 0.00 0.00 179.01 179.71 3f90 n LEU 115 N -4.79 1.70 0.00 1.33 4.77 -0.76 -4.85 117.00 114.39 3f90 n LEU 115 Ca 0.25 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3f90 n LEU 115 Cb 0.67 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3f90 n LEU 115 CO 0.20 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3f90 n GLY 116 N 0.49 0.71 3.86 -0.72 0.00 -0.78 -3.26 105.19 105.50 3f90 n GLY 116 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.66 3.15 -0.26 4.61 0.00 -0.08 -0.39 121.76 126.13 3f90 s ALA 117 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 3f90 s ALA 117 Cb 0.00 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 3f90 s ALA 117 CO 0.00 -0.35 0.10 0.99 0.00 0.00 0.00 175.76 176.49 3f90 s THR 118 N -2.77 4.54 -0.24 0.00 2.01 0.37 -4.37 115.64 115.17 3f90 s THR 118 Ca 0.55 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 3f90 s THR 118 Cb -0.10 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.27 3f90 s THR 118 CO 0.40 0.32 1.22 -0.63 -0.69 0.00 0.00 174.62 175.23 3f90 s ILE 119 N 1.64 4.32 -0.66 1.82 -1.09 -1.26 -0.94 121.20 125.03 3f90 s ILE 119 Ca 0.06 1.55 0.20 0.00 -2.23 0.00 0.00 60.65 60.23 3f90 s ILE 119 Cb -0.15 -4.16 -0.25 0.00 -1.58 0.00 0.00 42.46 36.32 3f90 s ILE 119 CO 0.05 -0.31 0.72 2.30 -1.23 0.00 0.00 174.94 176.47 3f90 n ILE 120 N 5.74 0.00 -3.81 2.92 -5.35 -0.49 -4.92 119.36 113.45 3f90 n ILE 120 Ca 0.14 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.33 3f90 n ILE 120 Cb 0.46 0.70 -0.09 0.00 -1.74 0.00 0.00 39.64 38.97 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 -3.05 -0.58 0.32 -1.28 0.00 -1.26 -4.68 121.76 111.22 3f90 s ALA 121 Ca 0.03 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 3f90 s ALA 121 Cb 0.14 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 3f90 s ALA 121 CO 0.83 -0.24 1.41 -2.00 0.00 0.00 0.00 175.76 175.76 3f90 s GLU 122 N -1.41 4.25 0.35 0.00 2.12 -1.26 -4.70 118.70 118.06 3f90 s GLU 122 Ca -0.14 2.35 -0.29 0.00 0.36 0.00 0.00 54.97 57.26 3f90 s GLU 122 Cb -0.06 -3.05 -0.11 0.00 0.26 0.00 0.00 34.13 31.16 3f90 s GLU 122 CO 0.03 -0.37 1.50 0.41 -0.54 0.00 0.00 175.26 176.29 3f90 n GLY 123 N 1.23 1.19 3.53 -1.50 0.00 -1.26 -4.87 105.19 103.50 3f90 n GLY 123 Ca 0.03 0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.48 4.44 -0.19 0.99 2.96 0.30 -4.98 118.68 120.72 3f90 s LEU 124 Ca 0.57 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3f90 s LEU 124 Cb -0.49 -2.77 -0.00 0.00 0.50 0.00 0.00 46.19 43.43 3f90 s LEU 124 CO 0.59 -0.79 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.20 3f90 s LYS 125 N 2.89 3.30 0.25 1.98 1.02 -1.26 -0.30 119.74 127.61 3f90 s LYS 125 Ca 0.24 -0.68 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 3f90 s LYS 125 Cb -0.14 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3f90 s LYS 125 CO 0.19 -0.12 0.41 0.00 -0.92 0.00 0.00 175.35 174.91 3f90 s MET 126 N 1.23 1.53 0.25 1.68 0.23 -1.04 -5.01 119.30 118.17 3f90 s MET 126 Ca 0.03 -1.39 0.04 0.00 -1.03 0.00 0.00 55.69 53.34 3f90 s MET 126 Cb -0.14 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 3f90 s MET 126 CO -0.04 -0.61 0.38 -1.21 -2.03 0.00 0.00 175.02 171.51 3f90 s GLU 127 N -3.92 3.45 3.44 3.16 2.02 -1.26 -1.61 118.70 123.98 3f90 s GLU 127 Ca 0.27 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3f90 s GLU 127 Cb 0.01 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.38 3f90 s GLU 127 CO 0.11 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.19 3f90 n GLY 128 N -1.46 0.99 4.03 -1.39 0.00 -1.25 -4.66 105.19 101.45 3f90 n GLY 128 Ca -0.08 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 3f90 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f90 s ASP 129 N -4.00 5.06 0.18 1.61 3.84 -1.26 -4.70 116.67 117.39 3f90 s ASP 129 Ca 0.00 -0.80 -0.21 0.00 -0.00 0.00 0.00 52.55 51.54 3f90 s ASP 129 Cb 0.00 0.25 0.10 0.00 -1.38 0.00 0.00 42.92 41.90 3f90 s ASP 129 CO 0.00 -1.36 1.61 0.00 -0.00 0.00 0.00 175.17 175.41 3f90 h ALA 130 N 0.14 -0.02 -0.29 2.11 0.00 -1.79 0.20 119.26 119.61 3f90 h ALA 130 Ca -0.30 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3f90 h ALA 130 Cb 1.29 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 3f90 h ALA 130 CO 0.41 -0.65 0.29 0.66 0.00 0.00 0.00 179.25 179.96 3f90 h SER 131 N -0.18 0.00 0.54 0.00 4.64 -1.95 0.18 113.55 116.78 3f90 h SER 131 Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3f90 h SER 131 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3f90 h SER 131 CO -0.57 0.00 -0.42 -1.13 -0.87 0.00 0.00 176.83 173.84 3f90 h ASN 132 N 0.00 0.00 -1.25 4.97 -1.24 -0.92 -3.38 115.58 113.77 3f90 h ASN 132 Ca 0.14 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.74 3f90 h ASN 132 Cb 0.72 0.00 -0.28 0.00 0.73 0.00 0.00 38.32 39.49 3f90 h ASN 132 CO -0.00 0.42 -0.82 -0.67 -1.29 0.00 0.00 177.43 175.07 3f90 n ASP 133 N -3.85 -1.33 -0.00 1.15 -0.08 0.58 -4.98 116.55 108.04 3f90 n ASP 133 Ca -0.01 -2.89 0.02 0.00 -1.51 0.00 0.00 54.79 50.40 3f90 n ASP 133 Cb 0.47 0.46 0.37 0.00 2.34 0.00 0.00 41.12 44.77 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 4.29 0.54 -0.04 -0.67 0.13 -1.64 -2.50 132.00 132.11 3f90 h PRO 134 Ca 0.02 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 3f90 h PRO 134 Cb 0.96 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 3f90 h PRO 134 CO 0.36 0.44 -0.70 0.93 -0.23 0.00 0.00 178.00 178.80 3f90 h GLU 135 N 0.54 0.21 0.20 0.86 5.08 -1.94 0.11 114.58 119.66 3f90 h GLU 135 Ca 0.14 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3f90 h GLU 135 Cb 0.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3f90 h GLU 135 CO -0.02 0.83 -0.10 0.00 -1.00 0.00 0.00 179.01 178.73 3f90 h ALA 136 N 1.12 -0.27 -0.56 3.43 0.00 -1.93 -1.89 119.26 119.16 3f90 h ALA 136 Ca -0.02 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.80 3f90 h ALA 136 Cb 1.25 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 3f90 h ALA 136 CO 0.11 -0.43 -0.24 0.28 0.00 0.00 0.00 179.25 178.96 3f90 h VAL 137 N -0.72 0.29 0.00 0.00 2.07 -1.40 -1.15 116.25 115.34 3f90 h VAL 137 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3f90 h VAL 137 Cb 0.50 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3f90 h VAL 137 CO 0.05 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.40 3f90 h ALA 138 N 1.26 1.26 0.03 1.67 0.00 -0.80 -1.94 119.26 120.74 3f90 h ALA 138 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f90 h ALA 138 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3f90 h ALA 138 CO -0.63 0.30 -0.01 1.03 0.00 0.00 0.00 179.25 179.94 3f90 h SER 139 N 0.00 -0.03 -0.55 0.00 0.87 -0.39 -2.54 113.55 110.91 3f90 h SER 139 Ca -0.00 -0.41 0.11 0.00 -1.23 0.00 0.00 61.79 60.26 3f90 h SER 139 Cb 0.55 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.42 3f90 h SER 139 CO 0.03 0.40 -0.08 0.15 -0.53 0.00 0.00 176.83 176.80 3f90 h PHE 140 N -0.47 -0.18 -0.57 2.24 3.57 -0.89 -0.24 116.94 120.40 3f90 h PHE 140 Ca -0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3f90 h PHE 140 Cb 0.44 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3f90 h PHE 140 CO 0.07 -0.20 0.31 0.00 -2.23 0.00 0.00 178.31 176.26 3f90 h ALA 141 N 1.53 0.73 -0.16 2.41 0.00 -1.35 -1.66 119.26 120.77 3f90 h ALA 141 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3f90 h ALA 141 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3f90 h ALA 141 CO -0.53 0.26 0.04 1.49 0.00 0.00 0.00 179.25 180.51 3f90 h GLU 142 N 0.77 0.25 -0.81 0.00 4.81 -1.00 0.19 114.58 118.78 3f90 h GLU 142 Ca 0.20 -0.06 0.20 0.00 -0.13 0.00 0.00 59.36 59.57 3f90 h GLU 142 Cb 0.06 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3f90 h GLU 142 CO -0.03 0.41 0.56 -0.44 -0.73 0.00 0.00 179.01 178.77 3f90 h ASP 143 N 0.05 0.24 0.10 1.04 5.19 -0.80 -0.20 116.42 122.05 3f90 h ASP 143 Ca 0.05 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.31 3f90 h ASP 143 Cb 0.27 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 39.77 3f90 h ASP 143 CO 0.00 0.11 -0.72 0.58 -3.12 0.00 0.00 179.24 176.09 3f90 h VAL 144 N 0.25 1.50 0.00 -1.35 2.07 -0.92 -3.34 116.25 114.47 3f90 h VAL 144 Ca 0.41 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.52 3f90 h VAL 144 Cb 1.21 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 34.03 3f90 h VAL 144 CO -0.10 0.68 -0.04 -0.07 0.02 0.00 0.00 177.57 178.06 3f90 h LEU 145 N -0.33 0.00 0.00 2.57 3.38 0.10 -0.34 115.31 120.69 3f90 h LEU 145 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3f90 h LEU 145 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3f90 h LEU 145 CO 0.14 0.04 0.00 0.29 0.09 0.00 0.00 178.44 179.00 3f90 n LYS 146 N -3.58 0.03 0.00 1.13 4.76 -0.31 -3.45 118.16 116.72 3f90 n LYS 146 Ca -0.02 0.07 0.05 0.00 -2.87 0.00 0.00 58.31 55.54 3f90 n LYS 146 Cb 0.14 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 3f90 n LYS 146 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3f90 n GLN 147 N -1.48 2.59 0.00 1.97 1.13 -0.15 -5.12 117.38 116.31 3f90 n GLN 147 Ca 0.06 -0.41 0.12 0.00 -1.94 0.00 0.00 57.00 54.84 3f90 n GLN 147 Cb 0.28 -1.06 0.21 0.00 0.11 0.00 0.00 30.24 29.78 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90