#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fl4 s MET 1 N 0.00 4.28 -0.50 1.61 1.00 -1.26 -4.99 119.30 119.45 2fl4 s MET 1 Ca 0.00 2.02 0.07 0.00 0.00 0.00 0.00 55.69 57.78 2fl4 s MET 1 Cb 0.00 -2.95 0.25 0.00 0.00 0.00 0.00 34.83 32.13 2fl4 s MET 1 CO 0.00 -0.18 0.63 0.39 0.00 0.00 0.00 175.02 175.86 2fl4 n GLU 2 N 0.60 1.52 -2.60 2.03 1.02 -1.26 -5.10 120.64 116.84 2fl4 n GLU 2 Ca 0.01 -3.86 -0.42 0.00 -0.02 0.00 0.00 57.16 52.87 2fl4 n GLU 2 Cb 0.44 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 2fl4 n GLU 2 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fl4 s ILE 3 N -1.80 4.58 0.23 -3.67 -1.09 -1.26 -5.02 121.20 113.16 2fl4 s ILE 3 Ca 0.37 1.86 -0.15 0.00 -2.23 0.00 0.00 60.65 60.50 2fl4 s ILE 3 Cb 0.17 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 2fl4 s ILE 3 CO -0.07 0.07 0.51 -1.38 -1.23 0.00 0.00 174.94 172.84 2fl4 s HIS 4 N 1.61 0.13 -0.03 3.97 -3.43 -1.26 -5.17 115.29 111.12 2fl4 s HIS 4 Ca 0.53 -0.50 0.07 0.00 -0.80 0.00 0.00 55.06 54.35 2fl4 s HIS 4 Cb -0.22 0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 31.21 2fl4 s HIS 4 CO 0.24 -0.98 -0.24 -0.06 -2.00 0.00 0.00 174.74 171.70 2fl4 s PHE 5 N -3.95 2.21 -0.02 0.38 0.08 -1.26 -5.13 117.98 110.28 2fl4 s PHE 5 Ca 0.16 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.80 2fl4 s PHE 5 Cb -0.01 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 2fl4 s PHE 5 CO 0.04 -0.07 -0.21 -1.21 -0.10 0.00 0.00 175.22 173.66 2fl4 s GLU 6 N -0.48 1.84 0.68 0.44 2.02 -1.26 -5.12 118.70 116.81 2fl4 s GLU 6 Ca 0.07 -0.76 -0.17 0.00 0.02 0.00 0.00 54.97 54.13 2fl4 s GLU 6 Cb -0.10 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.41 2fl4 s GLU 6 CO -0.00 0.42 1.17 1.63 0.02 0.00 0.00 175.26 178.50 2fl4 n LYS 7 N 2.67 0.82 -3.14 1.61 5.02 -1.26 -4.97 118.16 118.92 2fl4 n LYS 7 Ca -0.16 0.34 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 2fl4 n LYS 7 Cb 0.53 -2.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.08 2fl4 n LYS 7 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2fl4 s VAL 8 N -1.60 5.06 0.31 -0.18 1.01 -1.26 -4.93 120.40 118.82 2fl4 s VAL 8 Ca 0.79 1.20 0.07 0.00 0.00 0.00 0.00 61.98 64.03 2fl4 s VAL 8 Cb -0.37 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2fl4 s VAL 8 CO 0.45 0.18 0.25 0.35 0.00 0.00 0.00 175.10 176.32 2fl4 n THR 9 N 4.32 0.00 0.29 3.92 -2.24 -1.26 -4.98 114.28 114.34 2fl4 n THR 9 Ca -0.02 -2.25 0.17 0.00 -2.27 0.00 0.00 64.05 59.67 2fl4 n THR 9 Cb 0.50 1.09 0.96 0.00 -2.10 0.00 0.00 70.33 70.78 2fl4 n THR 9 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2fl4 h SER 10 N 1.85 0.00 0.10 3.42 4.64 -1.97 0.37 113.55 121.96 2fl4 h SER 10 Ca -0.22 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.01 2fl4 h SER 10 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2fl4 h SER 10 CO 0.33 0.00 -0.29 0.44 -0.87 0.00 0.00 176.83 176.44 2fl4 h ASP 11 N 0.00 0.31 0.00 4.97 5.19 -1.97 -3.34 116.42 121.58 2fl4 h ASP 11 Ca 0.01 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2fl4 h ASP 11 Cb 0.09 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2fl4 h ASP 11 CO -0.00 0.59 0.00 -0.46 -3.12 0.00 0.00 179.24 176.25 2fl4 n ASN 12 N -4.12 0.65 -0.29 6.45 0.23 -0.93 -4.84 115.26 112.41 2fl4 n ASN 12 Ca -0.01 -1.01 -0.06 0.00 -0.53 0.00 0.00 54.58 52.98 2fl4 n ASN 12 Cb 0.40 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.17 2fl4 n ASN 12 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2fl4 h ARG 13 N 0.00 1.16 -0.01 -3.83 0.11 -1.06 -1.13 114.38 109.63 2fl4 h ARG 13 Ca 0.00 -0.19 -0.12 0.00 0.10 0.00 0.00 59.98 59.77 2fl4 h ARG 13 Cb 0.19 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 2fl4 h ARG 13 CO 0.00 0.92 -0.57 0.87 0.10 0.00 0.00 179.97 181.29 2fl4 h LYS 14 N 1.14 0.02 -0.54 0.08 1.57 -1.84 0.03 116.57 117.03 2fl4 h LYS 14 Ca 0.27 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2fl4 h LYS 14 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2fl4 h LYS 14 CO -0.03 0.59 0.15 0.00 -0.57 0.00 0.00 179.45 179.59 2fl4 h ALA 15 N 1.41 0.71 -0.61 3.86 0.00 -1.69 -2.10 119.26 120.85 2fl4 h ALA 15 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2fl4 h ALA 15 Cb 1.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2fl4 h ALA 15 CO 0.08 0.39 0.21 0.28 0.00 0.00 0.00 179.25 180.21 2fl4 h VAL 16 N 0.76 1.24 0.00 0.00 2.07 -0.91 -2.39 116.25 117.02 2fl4 h VAL 16 Ca 0.17 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2fl4 h VAL 16 Cb 0.31 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2fl4 h VAL 16 CO -0.00 0.30 -0.06 -0.33 0.02 0.00 0.00 177.57 177.50 2fl4 h GLU 17 N 0.86 0.00 -0.62 1.57 5.08 -0.82 -1.71 114.58 118.94 2fl4 h GLU 17 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2fl4 h GLU 17 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2fl4 h GLU 17 CO -0.01 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 2fl4 n ASN 18 N -4.17 3.84 -4.64 1.42 3.02 -0.81 -4.97 115.26 108.95 2fl4 n ASN 18 Ca -0.03 -2.30 -0.47 0.00 -0.03 0.00 0.00 54.58 51.75 2fl4 n ASN 18 Cb 0.14 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.78 2fl4 n ASN 18 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2fl4 n LEU 19 N 0.94 2.54 -4.50 3.41 7.94 -0.64 -4.87 117.00 121.81 2fl4 n LEU 19 Ca 0.21 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.80 2fl4 n LEU 19 Cb 0.71 -1.35 -0.05 0.00 0.53 0.00 0.00 43.42 43.26 2fl4 n LEU 19 CO 0.19 -0.69 0.57 -1.10 -1.11 0.00 0.00 177.39 175.25 2fl4 s GLN 20 N 0.11 3.28 -0.25 1.96 -0.21 -1.26 -4.88 119.66 118.41 2fl4 s GLN 20 Ca 0.75 -0.42 0.11 0.00 0.02 0.00 0.00 55.36 55.82 2fl4 s GLN 20 Cb -0.75 -4.04 0.45 0.00 1.00 0.00 0.00 33.01 29.68 2fl4 s GLN 20 CO 0.46 -1.30 1.19 1.33 -2.12 0.00 0.00 175.29 174.85 2fl4 n VAL 21 N 6.00 2.20 -1.97 1.09 0.24 -1.26 -5.06 118.33 119.57 2fl4 n VAL 21 Ca -0.01 -3.69 -0.42 0.00 -2.04 0.00 0.00 64.34 58.18 2fl4 n VAL 21 Cb 0.47 -0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 32.25 2fl4 n VAL 21 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2fl4 s PHE 22 N -3.37 2.87 0.00 6.34 2.19 -1.26 -2.78 117.98 121.98 2fl4 s PHE 22 Ca 0.44 0.58 0.00 0.00 0.33 0.00 0.00 56.93 58.28 2fl4 s PHE 22 Cb 0.39 -3.90 0.00 0.00 -1.31 0.00 0.00 43.02 38.20 2fl4 s PHE 22 CO -0.01 -3.39 0.00 0.00 1.83 0.00 0.00 175.22 173.65 2fl4 n ALA 23 N 4.54 0.00 -1.83 11.12 0.00 -1.26 -4.92 120.51 128.16 2fl4 n ALA 23 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2fl4 n ALA 23 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.75 2fl4 n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2fl4 n GLU 24 N -2.26 3.14 -0.09 0.00 1.02 -1.12 -4.77 120.64 116.56 2fl4 n GLU 24 Ca 0.00 -2.79 -0.06 0.00 -0.02 0.00 0.00 57.16 54.29 2fl4 n GLU 24 Cb 0.02 -3.15 0.00 0.00 -0.02 0.00 0.00 31.44 28.29 2fl4 n GLU 24 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2fl4 h GLN 25 N 5.82 -0.02 -0.57 3.49 4.20 -1.91 -0.96 115.11 125.15 2fl4 h GLN 25 Ca 0.56 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.19 2fl4 h GLN 25 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2fl4 h GLN 25 CO 1.81 -0.01 0.01 1.96 -0.67 0.00 0.00 178.83 181.93 2fl4 h GLN 26 N -0.02 0.98 -0.79 1.46 1.08 -2.01 -2.53 115.11 113.28 2fl4 h GLN 26 Ca 0.16 -0.29 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2fl4 h GLN 26 Cb 0.27 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 2fl4 h GLN 26 CO -0.36 0.96 0.48 0.00 -0.95 0.00 0.00 178.83 178.96 2fl4 h ALA 27 N 1.10 1.07 -0.55 3.87 0.00 -1.79 -2.44 119.26 120.52 2fl4 h ALA 27 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2fl4 h ALA 27 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2fl4 h ALA 27 CO 0.03 0.23 0.07 0.74 0.00 0.00 0.00 179.25 180.31 2fl4 h PHE 28 N 0.90 0.93 -0.58 0.00 0.05 -0.80 -1.19 116.94 116.24 2fl4 h PHE 28 Ca 0.34 -0.12 0.06 0.00 3.82 0.00 0.00 57.97 62.07 2fl4 h PHE 28 Cb 0.14 -0.26 -0.05 0.00 2.00 0.00 0.00 35.95 37.77 2fl4 h PHE 28 CO -0.04 0.81 0.29 0.82 -0.18 0.00 0.00 178.31 180.01 2fl4 h ILE 29 N 0.83 0.92 -0.40 -0.55 2.04 -1.06 0.39 117.51 119.68 2fl4 h ILE 29 Ca 0.17 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 2fl4 h ILE 29 Cb 0.40 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2fl4 h ILE 29 CO 0.01 0.10 -0.22 -0.33 0.00 0.00 0.00 178.15 177.71 2fl4 h GLU 30 N 0.54 0.80 -0.38 2.37 4.39 -1.05 -0.24 114.58 121.01 2fl4 h GLU 30 Ca 0.27 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2fl4 h GLU 30 Cb 0.21 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2fl4 h GLU 30 CO -0.20 0.95 0.25 0.77 -1.16 0.00 0.00 179.01 179.61 2fl4 h SER 31 N 0.70 0.42 -0.28 1.42 0.02 -0.70 -1.06 113.55 114.07 2fl4 h SER 31 Ca 0.10 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2fl4 h SER 31 Cb 0.74 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2fl4 h SER 31 CO 0.06 0.31 -0.11 -0.03 -1.14 0.00 0.00 176.83 175.92 2fl4 h MET 32 N 0.50 0.56 -0.86 3.45 1.85 -0.71 -1.24 114.93 118.48 2fl4 h MET 32 Ca 0.14 -0.23 0.10 0.00 -0.61 0.00 0.00 59.70 59.10 2fl4 h MET 32 Cb -0.05 -0.02 -0.06 0.00 0.43 0.00 0.00 31.60 31.90 2fl4 h MET 32 CO -0.04 0.79 0.56 0.00 -0.40 0.00 0.00 176.91 177.82 2fl4 h ALA 33 N 0.76 1.69 -0.27 0.39 0.00 -0.91 -1.23 119.26 119.69 2fl4 h ALA 33 Ca 0.07 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2fl4 h ALA 33 Cb 0.61 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2fl4 h ALA 33 CO 0.04 0.13 -0.56 1.49 0.00 0.00 0.00 179.25 180.34 2fl4 h GLU 34 N 0.82 0.83 -0.49 0.00 4.57 -0.94 -1.28 114.58 118.10 2fl4 h GLU 34 Ca 0.40 -0.53 0.09 0.00 -1.18 0.00 0.00 59.36 58.15 2fl4 h GLU 34 Cb 0.45 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.03 2fl4 h GLU 34 CO -0.17 1.16 -0.01 -0.91 -1.18 0.00 0.00 179.01 177.91 2fl4 h ASN 35 N 0.64 -0.22 -0.46 1.04 2.35 -0.46 -1.56 115.58 116.90 2fl4 h ASN 35 Ca 0.01 0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 2fl4 h ASN 35 Cb 1.16 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 2fl4 h ASN 35 CO 0.12 -0.08 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.74 2fl4 h LEU 36 N 0.11 0.86 -0.66 1.61 3.38 -1.08 -1.58 115.31 117.95 2fl4 h LEU 36 Ca 0.24 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2fl4 h LEU 36 Cb 0.37 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2fl4 h LEU 36 CO -0.41 0.94 0.42 0.50 0.09 0.00 0.00 178.44 179.97 2fl4 h LYS 37 N 0.82 0.81 -0.08 1.13 3.64 -0.77 -1.50 116.57 120.61 2fl4 h LYS 37 Ca 0.15 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2fl4 h LYS 37 Cb 0.52 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2fl4 h LYS 37 CO 0.03 0.53 -0.01 0.93 -2.27 0.00 0.00 179.45 178.66 2fl4 h GLU 38 N 0.83 0.15 -0.23 1.90 5.08 -1.00 -2.76 114.58 118.55 2fl4 h GLU 38 Ca 0.26 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2fl4 h GLU 38 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2fl4 h GLU 38 CO -0.09 0.44 -0.14 0.66 -1.00 0.00 0.00 179.01 178.88 2fl4 h SER 39 N -0.15 0.36 -0.48 1.42 4.64 -1.21 -2.36 113.55 115.77 2fl4 h SER 39 Ca 0.02 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 2fl4 h SER 39 Cb 0.38 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2fl4 h SER 39 CO 0.01 0.53 0.19 -0.78 -0.87 0.00 0.00 176.83 175.91 2fl4 h ASP 40 N 0.35 0.71 0.90 4.97 3.58 -1.18 -3.13 116.42 122.62 2fl4 h ASP 40 Ca 0.07 -0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.22 2fl4 h ASP 40 Cb 0.46 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2fl4 h ASP 40 CO 0.03 0.66 -1.18 -0.61 -2.88 0.00 0.00 179.24 175.26 2fl4 h GLN 41 N 0.77 0.00 -4.83 0.28 5.75 -1.17 -3.44 115.11 112.46 2fl4 h GLN 41 Ca 0.18 0.00 -0.68 0.00 -0.15 0.00 0.00 58.65 58.00 2fl4 h GLN 41 Cb 0.19 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 28.56 2fl4 h GLN 41 CO -0.01 0.57 -0.30 -0.06 -2.65 0.00 0.00 178.83 176.38 2fl4 s PHE 42 N -2.79 3.20 0.63 3.99 0.40 -0.93 -4.92 117.98 117.56 2fl4 s PHE 42 Ca -0.01 -0.24 0.34 0.00 -0.60 0.00 0.00 56.93 56.42 2fl4 s PHE 42 Cb 0.09 -2.71 1.90 0.00 0.51 0.00 0.00 43.02 42.80 2fl4 s PHE 42 CO 0.80 -0.54 2.15 -1.35 0.70 0.00 0.00 175.22 176.99 2fl4 h PRO 43 N 8.58 0.00 0.00 0.24 0.11 -1.86 -1.63 132.00 137.44 2fl4 h PRO 43 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2fl4 h PRO 43 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2fl4 h PRO 43 CO 0.73 0.00 -0.29 -0.85 -0.21 0.00 0.00 178.00 177.37 2fl4 n GLU 44 N -3.37 0.13 -4.22 1.05 0.28 -1.26 -4.90 120.64 108.35 2fl4 n GLU 44 Ca -0.01 0.07 -0.28 0.00 -0.16 0.00 0.00 57.16 56.78 2fl4 n GLU 44 Cb 0.25 -1.61 -0.08 0.00 1.43 0.00 0.00 31.44 31.42 2fl4 n GLU 44 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2fl4 s TRP 45 N -3.06 2.79 -0.10 -1.84 0.51 -0.61 -3.02 118.94 113.61 2fl4 s TRP 45 Ca 0.10 -0.15 -0.07 0.00 -2.12 0.00 0.00 56.10 53.87 2fl4 s TRP 45 Cb 0.16 -1.38 0.04 0.00 -0.81 0.00 0.00 33.47 31.47 2fl4 s TRP 45 CO 0.64 0.50 0.25 -2.00 -0.51 0.00 0.00 176.95 175.82 2fl4 s GLU 46 N -2.72 0.25 0.13 4.98 2.12 -0.18 -4.81 118.70 118.47 2fl4 s GLU 46 Ca 0.26 0.45 -0.00 0.00 0.36 0.00 0.00 54.97 56.03 2fl4 s GLU 46 Cb -0.10 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 2fl4 s GLU 46 CO 0.17 -0.10 0.29 -1.12 -0.54 0.00 0.00 175.26 173.96 2fl4 s SER 47 N 0.74 6.38 -0.11 -1.70 0.01 -1.26 -1.56 113.70 116.20 2fl4 s SER 47 Ca -0.05 0.32 -0.09 0.00 1.31 0.00 0.00 55.95 57.44 2fl4 s SER 47 Cb -0.06 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.23 2fl4 s SER 47 CO -0.05 0.07 0.28 0.00 0.41 0.00 0.00 173.24 173.96 2fl4 s ALA 48 N -1.68 -0.69 0.20 1.44 0.00 -0.13 -4.99 121.76 115.91 2fl4 s ALA 48 Ca 0.36 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 52.95 2fl4 s ALA 48 Cb -0.12 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 2fl4 s ALA 48 CO 0.28 -0.16 0.88 0.20 0.00 0.00 0.00 175.76 176.96 2fl4 s GLY 49 N 0.54 3.03 -0.22 0.00 0.00 -1.26 -1.34 107.32 108.07 2fl4 s GLY 49 Ca -0.03 0.52 -0.09 0.00 0.00 0.00 0.00 44.72 45.12 2fl4 s GLY 49 CO -0.03 1.09 0.11 -0.42 0.00 0.00 0.00 173.10 173.84 2fl4 s ILE 50 N -1.07 4.94 0.08 0.90 1.01 -0.21 -4.93 121.20 121.91 2fl4 s ILE 50 Ca 0.39 0.03 0.09 0.00 0.00 0.00 0.00 60.65 61.17 2fl4 s ILE 50 Cb -0.25 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 2fl4 s ILE 50 CO 0.30 0.39 -0.25 -0.31 0.00 0.00 0.00 174.94 175.07 2fl4 s TYR 51 N 0.91 2.13 -0.41 3.97 2.02 -1.26 -0.15 117.35 124.56 2fl4 s TYR 51 Ca 0.05 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.29 2fl4 s TYR 51 Cb -0.13 -1.22 0.09 0.00 -0.40 0.00 0.00 41.96 40.30 2fl4 s TYR 51 CO 0.03 0.20 0.23 0.34 -1.57 0.00 0.00 175.55 174.78 2fl4 s ASP 52 N -1.60 5.46 1.74 2.29 2.15 -0.23 -4.89 116.67 121.60 2fl4 s ASP 52 Ca 0.11 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.38 2fl4 s ASP 52 Cb -0.10 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 2fl4 s ASP 52 CO 0.04 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 2fl4 n GLY 53 N 4.79 3.49 0.25 2.66 0.00 -1.26 -2.13 105.19 113.00 2fl4 n GLY 53 Ca -0.08 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2fl4 n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fl4 n ASN 54 N 7.84 1.10 -4.65 1.61 5.03 -1.26 -4.88 115.26 120.06 2fl4 n ASN 54 Ca 0.00 -0.92 -0.40 0.00 0.87 0.00 0.00 54.58 54.14 2fl4 n ASN 54 Cb 0.00 0.20 -0.07 0.00 -1.02 0.00 0.00 39.78 38.89 2fl4 n ASN 54 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2fl4 s GLN 55 N -2.54 4.16 -0.06 3.52 2.00 -0.91 -5.03 119.66 120.80 2fl4 s GLN 55 Ca 0.22 0.42 -0.30 0.00 -2.00 0.00 0.00 55.36 53.71 2fl4 s GLN 55 Cb 0.19 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 2fl4 s GLN 55 CO 0.54 -0.22 1.45 -1.17 -0.50 0.00 0.00 175.29 175.40 2fl4 s LEU 56 N 1.87 4.28 0.00 3.68 2.96 -1.26 -1.06 118.68 129.15 2fl4 s LEU 56 Ca 0.24 2.04 0.01 0.00 -0.22 0.00 0.00 54.13 56.20 2fl4 s LEU 56 Cb -0.15 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 2fl4 s LEU 56 CO 0.09 -0.80 0.20 2.30 -1.32 0.00 0.00 176.35 176.83 2fl4 n ILE 57 N 5.14 0.00 -3.79 6.68 -5.35 0.79 -4.94 119.36 117.90 2fl4 n ILE 57 Ca 0.15 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2fl4 n ILE 57 Cb 0.44 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 2fl4 n ILE 57 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fl4 n GLY 58 N 0.70 0.70 3.16 3.28 0.00 -0.83 -0.50 105.19 111.70 2fl4 n GLY 58 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 2fl4 n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fl4 s TYR 59 N -3.46 -0.17 0.01 1.61 5.04 -0.09 -1.05 117.35 119.24 2fl4 s TYR 59 Ca 0.07 0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2fl4 s TYR 59 Cb -0.00 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.35 2fl4 s TYR 59 CO 0.00 -0.24 0.01 0.00 -1.34 0.00 0.00 175.55 173.98 2fl4 s ALA 60 N -0.65 0.01 -0.02 3.97 0.00 -0.45 -0.94 121.76 123.67 2fl4 s ALA 60 Ca -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2fl4 s ALA 60 Cb -0.04 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2fl4 s ALA 60 CO 0.02 -0.15 -0.07 1.41 0.00 0.00 0.00 175.76 176.97 2fl4 s MET 61 N -1.23 0.71 0.24 0.00 1.75 -0.08 -0.96 119.30 119.73 2fl4 s MET 61 Ca -0.13 -0.22 -0.17 0.00 -1.25 0.00 0.00 55.69 53.92 2fl4 s MET 61 Cb -0.08 -0.69 0.01 0.00 2.84 0.00 0.00 34.83 36.91 2fl4 s MET 61 CO -0.00 0.08 0.55 1.52 -0.65 0.00 0.00 175.02 176.53 2fl4 s TYR 62 N 0.18 0.05 -5.00 4.11 -0.85 -0.60 -0.47 117.35 114.78 2fl4 s TYR 62 Ca -0.02 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 2fl4 s TYR 62 Cb -0.07 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.66 2fl4 s TYR 62 CO -0.00 -1.03 0.00 0.41 -1.52 0.00 0.00 175.55 173.41 2fl4 n GLY 63 N -0.39 -0.80 3.59 5.49 0.00 -0.59 -1.01 105.19 111.48 2fl4 n GLY 63 Ca -0.05 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 2fl4 n GLY 63 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fl4 s ARG 64 N -1.94 3.80 0.00 1.61 3.52 -1.17 -0.96 118.95 123.82 2fl4 s ARG 64 Ca 0.00 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 2fl4 s ARG 64 Cb 0.00 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2fl4 s ARG 64 CO 0.00 -0.79 0.00 1.87 -0.81 0.00 0.00 175.30 175.57 2fl4 n TRP 65 N 6.31 0.00 -3.70 5.12 -0.00 0.17 -4.81 117.44 120.53 2fl4 n TRP 65 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.32 2fl4 n TRP 65 Cb 0.48 0.00 -0.18 0.00 -0.00 0.00 0.00 31.31 31.61 2fl4 n TRP 65 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2fl4 s GLN 66 N 2.03 0.13 -0.93 5.87 -0.44 -1.26 -1.97 119.66 123.09 2fl4 s GLN 66 Ca 0.00 0.29 -0.13 0.00 -2.50 0.00 0.00 55.36 53.02 2fl4 s GLN 66 Cb 0.00 -0.67 0.22 0.00 -1.64 0.00 0.00 33.01 30.92 2fl4 s GLN 66 CO 0.00 -0.33 0.94 0.16 0.50 0.00 0.00 175.29 176.56 2fl4 s ASP 67 N 2.11 6.90 0.00 6.67 1.47 -1.26 -4.85 116.67 127.71 2fl4 s ASP 67 Ca 0.05 -2.84 0.00 0.00 1.18 0.00 0.00 52.55 50.94 2fl4 s ASP 67 Cb -0.12 -2.25 0.00 0.00 -0.34 0.00 0.00 42.92 40.21 2fl4 s ASP 67 CO -0.04 -0.58 0.00 0.61 0.68 0.00 0.00 175.17 175.84 2fl4 n GLY 68 N 3.87 0.85 3.77 2.12 0.00 -0.83 -5.02 105.19 109.95 2fl4 n GLY 68 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2fl4 n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fl4 s ARG 69 N -0.06 4.47 -0.24 1.61 0.52 -1.26 -4.74 118.95 119.25 2fl4 s ARG 69 Ca 0.00 1.63 -0.08 0.00 -0.52 0.00 0.00 55.73 56.75 2fl4 s ARG 69 Cb 0.00 -2.92 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 2fl4 s ARG 69 CO 0.00 0.11 0.10 0.08 0.02 0.00 0.00 175.30 175.61 2fl4 s VAL 70 N -1.39 4.74 0.04 3.52 1.01 -1.26 0.45 120.40 127.50 2fl4 s VAL 70 Ca 0.50 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2fl4 s VAL 70 Cb -0.27 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2fl4 s VAL 70 CO 0.34 0.34 -0.18 0.26 0.00 0.00 0.00 175.10 175.86 2fl4 s TRP 71 N 1.33 2.55 -0.45 5.22 0.52 -0.13 -1.27 118.94 126.70 2fl4 s TRP 71 Ca 0.06 -0.26 -0.21 0.00 0.02 0.00 0.00 56.10 55.71 2fl4 s TRP 71 Cb -0.15 -1.47 0.03 0.00 -1.15 0.00 0.00 33.47 30.74 2fl4 s TRP 71 CO 0.05 0.24 0.66 -1.17 0.02 0.00 0.00 176.95 176.75 2fl4 s LEU 72 N -1.38 4.53 -0.13 2.99 2.96 -0.09 -1.55 118.68 126.00 2fl4 s LEU 72 Ca 0.14 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2fl4 s LEU 72 Cb -0.10 -2.71 -0.24 0.00 0.50 0.00 0.00 46.19 43.64 2fl4 s LEU 72 CO 0.05 -0.82 0.31 0.47 -1.32 0.00 0.00 176.35 175.03 2fl4 n ASP 73 N 6.34 1.52 -3.85 3.68 8.00 0.38 -4.63 116.55 127.99 2fl4 n ASP 73 Ca -0.02 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.54 2fl4 n ASP 73 Cb 0.48 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 41.09 2fl4 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2fl4 s ARG 74 N -2.56 0.12 -0.26 -1.24 0.52 -0.62 -4.94 118.95 109.97 2fl4 s ARG 74 Ca -0.18 0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.01 2fl4 s ARG 74 Cb 0.07 0.06 0.12 0.00 0.52 0.00 0.00 34.95 35.72 2fl4 s ARG 74 CO 0.76 -0.02 0.54 0.12 0.02 0.00 0.00 175.30 176.73 2fl4 s PHE 75 N -0.09 -1.15 -0.00 -0.53 5.36 -1.26 -0.90 117.98 119.41 2fl4 s PHE 75 Ca -0.01 1.87 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2fl4 s PHE 75 Cb -0.01 0.54 0.00 0.00 -0.34 0.00 0.00 43.02 43.21 2fl4 s PHE 75 CO 0.00 -0.64 -0.01 -0.51 -1.46 0.00 0.00 175.22 172.61 2fl4 s LEU 76 N 2.77 1.89 -0.13 6.12 1.43 -0.12 -5.01 118.68 125.64 2fl4 s LEU 76 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2fl4 s LEU 76 Cb -0.13 -0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 2fl4 s LEU 76 CO -0.17 -0.00 -0.14 -0.63 0.23 0.00 0.00 176.35 175.64 2fl4 s ILE 77 N 0.11 2.98 0.26 -0.59 -1.09 -1.26 -0.92 121.20 120.69 2fl4 s ILE 77 Ca -0.01 -0.69 -0.30 0.00 -2.23 0.00 0.00 60.65 57.43 2fl4 s ILE 77 Cb -0.02 -2.25 -0.14 0.00 -1.58 0.00 0.00 42.46 38.48 2fl4 s ILE 77 CO -0.00 0.53 1.26 -0.67 -1.23 0.00 0.00 174.94 174.83 2fl4 n ASP 78 N 3.54 2.25 0.28 3.58 -0.08 0.35 -4.80 116.55 121.67 2fl4 n ASP 78 Ca -0.18 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.41 2fl4 n ASP 78 Cb 0.53 -1.38 0.85 0.00 2.34 0.00 0.00 41.12 43.45 2fl4 n ASP 78 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2fl4 h GLN 79 N 3.26 0.00 0.00 -0.67 5.75 -1.98 0.14 115.11 121.62 2fl4 h GLN 79 Ca -0.44 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.05 2fl4 h GLN 79 Cb 1.30 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.85 2fl4 h GLN 79 CO 0.69 0.05 -0.05 0.00 -2.65 0.00 0.00 178.83 176.87 2fl4 h ARG 80 N 0.00 0.00 0.00 1.69 3.08 -1.96 -3.21 114.38 113.98 2fl4 h ARG 80 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2fl4 h ARG 80 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2fl4 h ARG 80 CO 0.01 0.05 -0.00 1.19 -1.07 0.00 0.00 179.97 180.15 2fl4 n PHE 81 N -3.26 0.00 -2.33 3.04 3.72 0.02 -5.05 117.46 113.61 2fl4 n PHE 81 Ca -0.01 -0.57 -0.32 0.00 -0.05 0.00 0.00 57.45 56.50 2fl4 n PHE 81 Cb 0.24 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 2fl4 n PHE 81 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2fl4 s GLN 82 N -1.27 3.82 -0.07 -1.08 -0.21 -1.11 -4.08 119.66 115.66 2fl4 s GLN 82 Ca 0.05 1.01 0.00 0.00 0.02 0.00 0.00 55.36 56.44 2fl4 s GLN 82 Cb 0.04 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.94 2fl4 s GLN 82 CO 0.00 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.20 2fl4 n GLY 83 N -1.44 0.44 0.30 3.09 0.00 -1.26 -4.94 105.19 101.38 2fl4 n GLY 83 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 46.02 45.12 2fl4 n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fl4 n GLN 84 N -2.97 0.57 -0.59 1.61 6.02 -1.26 -5.02 117.38 115.74 2fl4 n GLN 84 Ca -0.01 -1.56 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 2fl4 n GLN 84 Cb 0.02 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2fl4 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fl4 n GLY 85 N -0.54 0.91 0.22 1.08 0.00 -1.26 -4.95 105.19 100.66 2fl4 n GLY 85 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2fl4 n GLY 85 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2fl4 h TYR 86 N 0.00 0.83 -0.46 1.61 0.05 -1.95 -2.77 116.97 114.27 2fl4 h TYR 86 Ca 0.00 -0.19 0.06 0.00 0.05 0.00 0.00 58.73 58.65 2fl4 h TYR 86 Cb 0.00 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.49 2fl4 h TYR 86 CO 0.00 0.90 0.18 0.78 -1.05 0.00 0.00 178.16 178.96 2fl4 h GLY 87 N 0.52 0.61 0.80 3.88 0.00 -1.92 0.56 103.07 107.52 2fl4 h GLY 87 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2fl4 h GLY 87 CO 0.04 0.03 -0.03 1.70 0.00 0.00 0.00 176.54 178.29 2fl4 h LYS 88 N 0.36 0.34 -0.40 4.80 3.64 -1.97 0.94 116.57 124.29 2fl4 h LYS 88 Ca 0.21 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2fl4 h LYS 88 Cb 0.20 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2fl4 h LYS 88 CO -0.21 0.59 0.13 0.00 -2.27 0.00 0.00 179.45 177.69 2fl4 h ALA 89 N 0.75 0.52 -0.37 5.00 0.00 -1.35 -0.44 119.26 123.36 2fl4 h ALA 89 Ca 0.05 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2fl4 h ALA 89 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2fl4 h ALA 89 CO 0.01 0.15 -0.34 0.00 0.00 0.00 0.00 179.25 179.08 2fl4 h ALA 90 N 0.98 0.53 -0.63 0.00 0.00 -0.90 -2.41 119.26 116.83 2fl4 h ALA 90 Ca 0.13 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2fl4 h ALA 90 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2fl4 h ALA 90 CO -0.01 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.95 2fl4 h ARG 92 N 0.96 0.37 -0.69 0.00 2.43 -1.07 -1.28 114.38 115.11 2fl4 h ARG 92 Ca 0.19 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2fl4 h ARG 92 Cb 0.43 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2fl4 h ARG 92 CO 0.01 0.25 0.31 -0.07 -1.51 0.00 0.00 179.97 178.96 2fl4 h LEU 93 N 0.39 0.93 -0.61 3.80 3.38 -1.17 -1.93 115.31 120.10 2fl4 h LEU 93 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2fl4 h LEU 93 Cb -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2fl4 h LEU 93 CO -0.04 0.82 0.30 0.25 0.09 0.00 0.00 178.44 179.86 2fl4 h LEU 94 N 0.97 0.79 -0.48 1.67 5.85 -0.97 -0.06 115.31 123.09 2fl4 h LEU 94 Ca 0.24 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2fl4 h LEU 94 Cb 0.16 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2fl4 h LEU 94 CO -0.03 0.69 0.12 0.24 -0.34 0.00 0.00 178.44 179.13 2fl4 h MET 95 N 0.83 0.26 -0.61 1.25 2.86 -0.87 0.47 114.93 119.13 2fl4 h MET 95 Ca 0.21 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 2fl4 h MET 95 Cb 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2fl4 h MET 95 CO -0.03 0.17 0.00 -0.07 1.06 0.00 0.00 176.91 178.05 2fl4 h LEU 96 N 0.27 1.05 -1.09 1.22 4.07 -0.81 -2.50 115.31 117.51 2fl4 h LEU 96 Ca 0.24 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 2fl4 h LEU 96 Cb 0.29 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 2fl4 h LEU 96 CO -0.29 1.09 0.47 0.11 -1.08 0.00 0.00 178.44 178.74 2fl4 h LYS 97 N 0.98 1.10 -0.34 1.13 1.57 -0.53 -2.41 116.57 118.06 2fl4 h LYS 97 Ca 0.17 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 2fl4 h LYS 97 Cb 0.55 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2fl4 h LYS 97 CO 0.03 0.78 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.25 2fl4 h LEU 98 N 1.11 0.93 -0.46 2.94 3.38 -0.50 -1.34 115.31 121.38 2fl4 h LEU 98 Ca 0.29 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2fl4 h LEU 98 Cb -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 2fl4 h LEU 98 CO -0.05 1.22 0.00 0.16 0.09 0.00 0.00 178.44 179.85 2fl4 h ILE 99 N 0.66 0.00 -0.01 1.22 3.07 -1.47 -1.70 117.51 119.28 2fl4 h ILE 99 Ca 0.05 -0.58 -0.01 0.00 1.55 0.00 0.00 64.86 65.88 2fl4 h ILE 99 Cb 0.97 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 2fl4 h ILE 99 CO 0.09 0.00 -0.02 -0.08 -1.05 0.00 0.00 178.15 177.09 2fl4 h GLU 100 N 0.00 0.03 -0.23 0.16 4.81 -1.26 -3.36 114.58 114.73 2fl4 h GLU 100 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2fl4 h GLU 100 Cb 0.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2fl4 h GLU 100 CO 0.00 0.62 0.05 -0.22 -0.73 0.00 0.00 179.01 178.73 2fl4 h LYS 101 N -0.54 0.37 -6.13 1.92 3.64 -1.04 -3.45 116.57 111.34 2fl4 h LYS 101 Ca -0.00 -0.09 -0.52 0.00 -1.27 0.00 0.00 60.65 58.77 2fl4 h LYS 101 Cb 0.62 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2fl4 h LYS 101 CO 0.01 0.49 -0.48 0.71 -2.27 0.00 0.00 179.45 177.90 2fl4 s TYR 102 N -5.26 3.38 0.32 1.91 2.02 -0.66 -5.01 117.35 114.06 2fl4 s TYR 102 Ca -0.14 0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 2fl4 s TYR 102 Cb 0.07 -1.59 0.54 0.00 -0.40 0.00 0.00 41.96 40.58 2fl4 s TYR 102 CO 0.73 0.50 1.76 1.96 -1.57 0.00 0.00 175.55 178.92 2fl4 h GLN 103 N 1.85 0.25 -7.09 -0.62 1.08 -1.87 -3.44 115.11 105.28 2fl4 h GLN 103 Ca -0.49 -0.10 -0.54 0.00 -1.45 0.00 0.00 58.65 56.07 2fl4 h GLN 103 Cb 1.21 -0.01 0.19 0.00 -0.05 0.00 0.00 27.48 28.82 2fl4 h GLN 103 CO 0.65 0.56 0.10 -2.37 -0.95 0.00 0.00 178.83 176.82 2fl4 n THR 104 N -4.10 1.32 -0.39 -0.54 5.66 -1.26 -4.97 114.28 110.01 2fl4 n THR 104 Ca -0.01 -0.19 0.05 0.00 -3.05 0.00 0.00 64.05 60.85 2fl4 n THR 104 Cb 0.42 -1.03 0.12 0.00 -1.55 0.00 0.00 70.33 68.29 2fl4 n THR 104 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2fl4 n ASN 105 N -2.86 2.72 -4.33 1.09 5.03 -1.26 -4.69 115.26 110.96 2fl4 n ASN 105 Ca 0.12 -2.33 -0.31 0.00 0.87 0.00 0.00 54.58 52.93 2fl4 n ASN 105 Cb 0.51 -0.24 -0.15 0.00 -1.02 0.00 0.00 39.78 38.88 2fl4 n ASN 105 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2fl4 s LYS 106 N -1.59 2.00 0.10 3.52 1.02 -1.26 0.01 119.74 123.54 2fl4 s LYS 106 Ca 0.20 -1.00 0.08 0.00 0.02 0.00 0.00 55.97 55.28 2fl4 s LYS 106 Cb 0.14 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 2fl4 s LYS 106 CO 0.08 0.54 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.34 2fl4 s LEU 107 N -0.87 2.29 0.09 3.17 1.43 -0.22 -4.53 118.68 120.04 2fl4 s LEU 107 Ca 0.11 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2fl4 s LEU 107 Cb -0.10 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 2fl4 s LEU 107 CO 0.00 0.05 -0.17 -0.31 0.23 0.00 0.00 176.35 176.15 2fl4 s TYR 108 N -1.15 1.49 0.22 0.29 2.02 -0.40 -0.66 117.35 119.16 2fl4 s TYR 108 Ca 0.06 -0.45 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 2fl4 s TYR 108 Cb -0.10 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 2fl4 s TYR 108 CO 0.04 0.13 0.53 -0.48 -1.57 0.00 0.00 175.55 174.20 2fl4 s LEU 109 N -1.86 0.15 0.10 -1.29 0.05 -0.82 -0.91 118.68 114.10 2fl4 s LEU 109 Ca 0.03 -0.67 0.04 0.00 0.05 0.00 0.00 54.13 53.57 2fl4 s LEU 109 Cb -0.10 2.06 -0.04 0.00 -2.05 0.00 0.00 46.19 46.07 2fl4 s LEU 109 CO 0.03 -1.12 -0.11 -0.94 -0.55 0.00 0.00 176.35 173.66 2fl4 s SER 110 N -2.93 1.56 0.07 1.48 1.04 -1.26 -0.30 113.70 113.36 2fl4 s SER 110 Ca 0.14 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2fl4 s SER 110 Cb -0.01 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2fl4 s SER 110 CO 0.03 -0.23 -0.08 0.68 0.98 0.00 0.00 173.24 174.62 2fl4 s VAL 111 N -2.33 0.64 0.48 5.02 -7.23 -0.59 -4.96 120.40 111.42 2fl4 s VAL 111 Ca 0.06 -1.43 -0.16 0.00 -1.81 0.00 0.00 61.98 58.63 2fl4 s VAL 111 Cb -0.04 -1.06 -0.08 0.00 0.56 0.00 0.00 36.38 35.76 2fl4 s VAL 111 CO 0.01 -0.57 0.94 -0.47 -0.31 0.00 0.00 175.10 174.70 2fl4 s TYR 112 N -2.26 3.43 0.26 2.82 5.04 -1.26 -2.70 117.35 122.68 2fl4 s TYR 112 Ca -0.01 1.42 0.19 0.00 -2.44 0.00 0.00 57.07 56.24 2fl4 s TYR 112 Cb -0.04 -2.74 0.85 0.00 0.35 0.00 0.00 41.96 40.37 2fl4 s TYR 112 CO -0.01 -0.27 1.82 -0.44 -1.34 0.00 0.00 175.55 175.31 2fl4 h ASP 113 N 1.19 0.00 0.80 4.32 3.45 -1.98 -2.77 116.42 121.43 2fl4 h ASP 113 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2fl4 h ASP 113 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 2fl4 h ASP 113 CO 0.62 0.32 -0.17 0.35 -1.57 0.00 0.00 179.24 178.79 2fl4 n THR 114 N -3.67 0.00 -2.68 0.35 -2.24 -1.26 -4.67 114.28 100.12 2fl4 n THR 114 Ca -0.01 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2fl4 n THR 114 Cb 0.43 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2fl4 n THR 114 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2fl4 s ASN 115 N -2.97 6.88 0.09 3.42 3.04 -1.05 -4.79 114.94 119.56 2fl4 s ASN 115 Ca 0.14 -2.54 -0.14 0.00 0.04 0.00 0.00 52.86 50.36 2fl4 s ASN 115 Cb 0.19 -2.53 -0.17 0.00 -1.54 0.00 0.00 41.25 37.20 2fl4 s ASN 115 CO 0.58 -1.07 1.28 0.28 -3.04 0.00 0.00 177.10 175.13 2fl4 h SER 116 N 7.59 0.88 -0.27 -4.21 0.02 -1.87 -2.43 113.55 113.25 2fl4 h SER 116 Ca 0.40 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2fl4 h SER 116 Cb 0.88 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2fl4 h SER 116 CO 1.40 1.38 0.18 0.28 -1.14 0.00 0.00 176.83 178.92 2fl4 h SER 117 N 0.44 0.30 0.06 3.07 0.02 -1.99 -1.18 113.55 114.27 2fl4 h SER 117 Ca -0.05 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2fl4 h SER 117 Cb 1.37 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2fl4 h SER 117 CO 0.15 0.22 -0.03 0.00 -1.14 0.00 0.00 176.83 176.03 2fl4 h ALA 118 N 1.11 -0.08 -0.54 3.77 0.00 -1.96 0.34 119.26 121.89 2fl4 h ALA 118 Ca 0.10 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2fl4 h ALA 118 Cb -0.03 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2fl4 h ALA 118 CO -0.03 -0.47 0.11 0.82 0.00 0.00 0.00 179.25 179.68 2fl4 h ILE 119 N -0.23 0.70 -0.83 0.00 2.04 -1.39 0.90 117.51 118.69 2fl4 h ILE 119 Ca -0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2fl4 h ILE 119 Cb 0.20 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2fl4 h ILE 119 CO 0.01 0.05 0.37 0.03 0.00 0.00 0.00 178.15 178.61 2fl4 h ARG 120 N 0.25 1.22 -0.17 2.37 3.08 -0.87 0.36 114.38 120.63 2fl4 h ARG 120 Ca 0.27 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2fl4 h ARG 120 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2fl4 h ARG 120 CO -0.35 0.96 -0.05 1.25 -1.07 0.00 0.00 179.97 180.70 2fl4 h LEU 121 N 1.20 0.34 -0.71 3.04 6.46 -0.18 -1.49 115.31 123.96 2fl4 h LEU 121 Ca 0.28 -0.38 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 2fl4 h LEU 121 Cb 0.16 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2fl4 h LEU 121 CO -0.03 0.64 -0.21 1.88 -0.62 0.00 0.00 178.44 180.10 2fl4 h TYR 122 N 0.03 0.87 -0.52 1.25 0.05 -0.67 -2.18 116.97 115.81 2fl4 h TYR 122 Ca 0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 2fl4 h TYR 122 Cb 0.50 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 2fl4 h TYR 122 CO 0.06 0.91 0.26 1.96 -1.05 0.00 0.00 178.16 180.30 2fl4 h GLN 123 N 0.67 0.73 -0.16 4.88 4.20 -0.89 -1.12 115.11 123.43 2fl4 h GLN 123 Ca 0.10 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2fl4 h GLN 123 Cb 0.72 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2fl4 h GLN 123 CO 0.06 0.59 0.05 0.37 -0.67 0.00 0.00 178.83 179.22 2fl4 h GLN 124 N 0.69 0.22 -0.00 1.46 -0.00 -0.98 -1.40 115.11 115.09 2fl4 h GLN 124 Ca 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2fl4 h GLN 124 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.52 2fl4 h GLN 124 CO -0.03 0.20 -0.14 1.28 0.00 0.00 0.00 178.83 180.14 2fl4 n LEU 125 N -4.45 0.26 0.00 -2.39 4.77 -0.85 -4.94 117.00 109.40 2fl4 n LEU 125 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2fl4 n LEU 125 Cb 0.13 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2fl4 n LEU 125 CO 0.35 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2fl4 n GLY 126 N 1.41 0.85 3.77 -0.72 0.00 -0.53 -5.09 105.19 104.88 2fl4 n GLY 126 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2fl4 n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fl4 s PHE 127 N -2.00 2.76 0.04 1.61 0.08 -0.48 -4.61 117.98 115.38 2fl4 s PHE 127 Ca 0.00 1.35 0.04 0.00 0.12 0.00 0.00 56.93 58.44 2fl4 s PHE 127 Cb 0.00 -3.76 -0.02 0.00 -0.57 0.00 0.00 43.02 38.67 2fl4 s PHE 127 CO 0.00 -2.32 -0.12 0.14 -0.10 0.00 0.00 175.22 172.83 2fl4 s VAL 128 N -1.21 0.91 0.28 -0.44 -7.23 -0.19 -4.09 120.40 108.42 2fl4 s VAL 128 Ca 0.56 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 2fl4 s VAL 128 Cb -0.40 -0.87 -0.12 0.00 0.56 0.00 0.00 36.38 35.55 2fl4 s VAL 128 CO 0.53 -0.14 1.61 0.49 -0.31 0.00 0.00 175.10 177.27 2fl4 n PHE 129 N 1.72 2.80 -0.31 2.82 3.72 -1.26 -0.56 117.46 126.39 2fl4 n PHE 129 Ca -0.20 0.23 0.05 0.00 -0.05 0.00 0.00 57.45 57.49 2fl4 n PHE 129 Cb 0.55 -2.60 0.15 0.00 -0.94 0.00 0.00 39.48 36.64 2fl4 n PHE 129 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2fl4 n ASN 130 N 2.44 2.96 0.00 4.37 6.94 -0.98 -4.88 115.26 126.11 2fl4 n ASN 130 Ca 0.10 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 2fl4 n ASN 130 Cb 0.36 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 2fl4 n ASN 130 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2fl4 n GLY 131 N 0.18 0.79 3.94 4.83 0.00 -1.26 -5.03 105.19 108.64 2fl4 n GLY 131 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2fl4 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fl4 s GLU 132 N -0.10 3.41 -0.09 1.61 2.02 -1.26 -5.02 118.70 119.26 2fl4 s GLU 132 Ca 0.00 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.35 2fl4 s GLU 132 Cb 0.00 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 2fl4 s GLU 132 CO 0.00 0.50 -0.11 -0.51 0.02 0.00 0.00 175.26 175.16 2fl4 s LEU 133 N -3.41 2.92 0.85 1.80 1.43 -1.26 -1.43 118.68 119.58 2fl4 s LEU 133 Ca 0.34 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 2fl4 s LEU 133 Cb -0.10 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 44.59 2fl4 s LEU 133 CO 0.28 0.28 1.22 -0.62 0.23 0.00 0.00 176.35 177.75 2fl4 s ASP 134 N -0.35 4.09 0.45 2.29 -1.08 0.39 -4.91 116.67 117.55 2fl4 s ASP 134 Ca 0.04 0.63 0.31 0.00 -0.52 0.00 0.00 52.55 53.02 2fl4 s ASP 134 Cb -0.12 -0.99 1.41 0.00 -1.46 0.00 0.00 42.92 41.76 2fl4 s ASP 134 CO 0.02 -2.15 1.93 0.71 0.52 0.00 0.00 175.17 176.20 2fl4 h THR 135 N -1.23 0.00 -0.55 1.71 1.35 -2.01 -0.98 112.91 111.21 2fl4 h THR 135 Ca -0.46 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2fl4 h THR 135 Cb 1.30 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2fl4 h THR 135 CO 0.58 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.39 2fl4 n ASN 136 N -2.72 3.14 0.00 5.36 0.23 -1.26 -4.94 115.26 115.07 2fl4 n ASN 136 Ca 0.00 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 2fl4 n ASN 136 Cb 0.21 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 2fl4 n ASN 136 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2fl4 n GLY 137 N 1.30 1.52 3.78 4.83 0.00 -0.37 -4.92 105.19 111.34 2fl4 n GLY 137 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2fl4 n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fl4 s GLU 138 N -0.08 4.12 0.10 1.61 2.02 -1.26 -4.71 118.70 120.51 2fl4 s GLU 138 Ca 0.00 1.57 -0.31 0.00 0.02 0.00 0.00 54.97 56.26 2fl4 s GLU 138 Cb 0.00 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 2fl4 s GLU 138 CO 0.00 -0.19 1.26 1.03 0.02 0.00 0.00 175.26 177.38 2fl4 s ARG 139 N -2.47 4.41 0.13 1.61 0.52 -1.10 -0.46 118.95 121.59 2fl4 s ARG 139 Ca 0.58 1.88 -0.24 0.00 -0.52 0.00 0.00 55.73 57.43 2fl4 s ARG 139 Cb -0.24 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.86 2fl4 s ARG 139 CO 0.30 -0.28 0.73 0.08 0.02 0.00 0.00 175.30 176.14 2fl4 s VAL 140 N 0.86 4.50 0.14 3.52 1.01 -0.52 -1.55 120.40 128.37 2fl4 s VAL 140 Ca 0.59 1.59 0.09 0.00 0.00 0.00 0.00 61.98 64.26 2fl4 s VAL 140 Cb -0.32 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2fl4 s VAL 140 CO 0.31 0.51 -0.18 -0.04 0.00 0.00 0.00 175.10 175.70 2fl4 s MET 141 N -0.97 1.77 -0.02 2.72 1.00 0.59 -2.33 119.30 122.07 2fl4 s MET 141 Ca 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 55.69 54.77 2fl4 s MET 141 Cb -0.22 -2.06 0.01 0.00 0.00 0.00 0.00 34.83 32.56 2fl4 s MET 141 CO 0.24 0.45 -0.00 -2.00 0.00 0.00 0.00 175.02 173.71 2fl4 s GLU 142 N -2.37 0.18 -0.22 2.03 2.12 0.28 -1.95 118.70 118.77 2fl4 s GLU 142 Ca 0.20 0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 2fl4 s GLU 142 Cb -0.10 -0.30 -0.02 0.00 0.26 0.00 0.00 34.13 33.98 2fl4 s GLU 142 CO 0.11 -0.06 -0.00 -0.46 -0.54 0.00 0.00 175.26 174.30 2fl4 s TRP 143 N 0.55 3.01 -0.23 5.30 -0.00 0.17 -1.02 118.94 126.71 2fl4 s TRP 143 Ca -0.05 -0.67 -0.06 0.00 -0.00 0.00 0.00 56.10 55.32 2fl4 s TRP 143 Cb -0.08 -2.13 -0.02 0.00 -0.00 0.00 0.00 33.47 31.24 2fl4 s TRP 143 CO -0.01 -0.41 0.03 0.99 -0.00 0.00 0.00 176.95 177.55 2fl4 s THR 144 N 1.36 3.99 -0.25 5.86 2.01 -1.26 -1.06 115.64 126.29 2fl4 s THR 144 Ca 0.04 -0.28 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 2fl4 s THR 144 Cb -0.15 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 2fl4 s THR 144 CO 0.00 0.38 0.71 -2.28 -0.69 0.00 0.00 174.62 172.74 2fl4 s HIS 145 N 1.49 3.29 -2.40 4.92 2.46 0.10 -5.01 115.29 120.13 2fl4 s HIS 145 Ca 0.06 0.94 0.29 0.00 0.47 0.00 0.00 55.06 56.82 2fl4 s HIS 145 Cb -0.15 -2.93 1.22 0.00 -0.13 0.00 0.00 32.58 30.59 2fl4 s HIS 145 CO 0.01 -0.36 1.84 1.04 -2.47 0.00 0.00 174.74 174.80