#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fl3 n GLU 2 N 0.00 2.18 -1.98 1.64 2.13 -1.26 -4.96 120.64 118.38 3fl3 n GLU 2 Ca 0.00 0.77 -0.30 0.00 0.66 0.00 0.00 57.16 58.29 3fl3 n GLU 2 Cb 0.00 -2.38 0.04 0.00 0.27 0.00 0.00 31.44 29.37 3fl3 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3fl3 s THR 3 N -0.83 3.67 0.25 6.31 -4.23 -1.26 -4.85 115.64 114.70 3fl3 s THR 3 Ca 0.58 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 61.47 3fl3 s THR 3 Cb -0.57 -3.52 0.24 0.00 1.34 0.00 0.00 72.50 69.99 3fl3 s THR 3 CO 0.59 -0.66 1.91 0.00 -0.54 0.00 0.00 174.62 175.91 3fl3 h ALA 4 N -0.52 1.25 -0.58 3.99 0.00 -1.99 0.01 119.26 121.40 3fl3 h ALA 4 Ca -0.45 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3fl3 h ALA 4 Cb 1.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3fl3 h ALA 4 CO 0.63 0.54 0.11 0.00 0.00 0.00 0.00 179.25 180.53 3fl3 h ALA 5 N 1.38 0.78 -0.51 0.00 0.00 -2.00 -1.62 119.26 117.28 3fl3 h ALA 5 Ca 0.37 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3fl3 h ALA 5 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3fl3 h ALA 5 CO -0.11 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.70 3fl3 h ALA 6 N 1.01 1.11 -0.66 0.00 0.00 -1.79 -1.88 119.26 117.05 3fl3 h ALA 6 Ca 0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fl3 h ALA 6 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3fl3 h ALA 6 CO 0.01 0.57 0.15 -0.22 0.00 0.00 0.00 179.25 179.76 3fl3 h LYS 7 N 0.78 1.05 -0.31 0.00 3.64 -0.59 -0.85 116.57 120.29 3fl3 h LYS 7 Ca 0.16 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3fl3 h LYS 7 Cb 0.41 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3fl3 h LYS 7 CO 0.01 0.94 0.17 0.35 -2.27 0.00 0.00 179.45 178.65 3fl3 h PHE 8 N 1.00 0.42 -0.99 1.91 3.04 -1.14 0.19 116.94 121.37 3fl3 h PHE 8 Ca 0.21 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.17 3fl3 h PHE 8 Cb 0.37 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.69 3fl3 h PHE 8 CO 0.03 0.34 0.66 0.93 -2.02 0.00 0.00 178.31 178.25 3fl3 h GLU 9 N 0.38 1.28 -0.16 1.11 5.08 -0.88 0.47 114.58 121.85 3fl3 h GLU 9 Ca 0.11 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 3fl3 h GLU 9 Cb 0.06 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3fl3 h GLU 9 CO -0.02 0.85 -0.62 -0.09 -1.00 0.00 0.00 179.01 178.13 3fl3 h ARG 10 N 1.32 0.57 0.00 2.33 2.43 -0.60 -1.72 114.38 118.71 3fl3 h ARG 10 Ca 0.37 -0.40 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 3fl3 h ARG 10 Cb -0.11 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3fl3 h ARG 10 CO -0.09 1.01 -0.60 1.96 -1.51 0.00 0.00 179.97 180.74 3fl3 h GLN 11 N 0.42 0.00 0.00 0.20 4.20 -0.20 -3.41 115.11 116.32 3fl3 h GLN 11 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fl3 h GLN 11 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3fl3 h GLN 11 CO 0.12 0.44 -0.26 0.72 -0.67 0.00 0.00 178.83 179.19 3fl3 n HIS 12 N -3.17 0.00 -3.74 2.96 8.25 0.16 -5.06 115.22 114.62 3fl3 n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3fl3 n HIS 12 Cb 0.73 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.78 3fl3 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3fl3 s MET 13 N -0.73 3.88 -0.45 -0.41 -1.94 -0.65 -5.00 119.30 114.00 3fl3 s MET 13 Ca 0.00 -0.08 0.07 0.00 -1.71 0.00 0.00 55.69 53.97 3fl3 s MET 13 Cb 0.00 -3.31 0.25 0.00 2.01 0.00 0.00 34.83 33.77 3fl3 s MET 13 CO 0.00 0.52 0.74 -3.47 -0.01 0.00 0.00 175.02 172.80 3fl3 n ASP 14 N 2.76 -1.63 -4.72 3.03 2.03 -1.26 -4.84 116.55 111.92 3fl3 n ASP 14 Ca -0.17 -3.06 -0.42 0.00 0.52 0.00 0.00 54.79 51.67 3fl3 n ASP 14 Cb 0.53 0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 41.72 3fl3 n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3fl3 s SER 15 N -1.49 6.83 0.17 1.67 0.01 -1.26 -4.93 113.70 114.69 3fl3 s SER 15 Ca 0.33 2.38 0.15 0.00 1.31 0.00 0.00 55.95 60.12 3fl3 s SER 15 Cb 0.21 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 3fl3 s SER 15 CO -0.19 -0.62 1.16 0.28 0.41 0.00 0.00 173.24 174.28 3fl3 h SER 16 N 6.19 0.00 -3.44 2.44 0.02 -2.04 -3.44 113.55 113.28 3fl3 h SER 16 Ca -0.43 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.06 3fl3 h SER 16 Cb 1.21 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.84 3fl3 h SER 16 CO 0.83 0.61 0.21 0.42 -1.14 0.00 0.00 176.83 177.76 3fl3 s THR 17 N -2.90 2.25 -0.40 -2.27 -4.23 -1.26 -5.05 115.64 101.78 3fl3 s THR 17 Ca 0.01 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.10 3fl3 s THR 17 Cb 0.08 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 70.90 3fl3 s THR 17 CO 0.78 0.00 1.42 -0.24 -0.54 0.00 0.00 174.62 176.04 3fl3 n SER 18 N -2.97 -0.85 -1.17 3.99 2.88 -1.26 -5.18 113.62 109.05 3fl3 n SER 18 Ca 0.10 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 3fl3 n SER 18 Cb 0.60 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 3fl3 n SER 18 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3fl3 n SER 22 N 9.79 0.00 0.00 -3.46 7.64 -1.26 -4.98 113.62 121.35 3fl3 n SER 22 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3fl3 n SER 22 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3fl3 n SER 22 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3fl3 n SER 23 N 0.44 0.00 -0.94 6.43 2.88 -1.26 0.27 113.62 121.44 3fl3 n SER 23 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 3fl3 n SER 23 Cb 0.00 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.67 3fl3 n SER 23 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3fl3 n ASN 24 N -1.40 2.73 -0.02 -3.46 2.04 -1.26 -4.41 115.26 109.47 3fl3 n ASN 24 Ca 0.00 -2.14 -0.09 0.00 -0.44 0.00 0.00 54.58 51.90 3fl3 n ASN 24 Cb 0.00 -0.38 -0.03 0.00 -2.53 0.00 0.00 39.78 36.84 3fl3 n ASN 24 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 3fl3 h TYR 25 N 2.52 -0.78 -0.62 -2.53 5.03 0.34 -2.22 116.97 118.70 3fl3 h TYR 25 Ca 0.00 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 3fl3 h TYR 25 Cb 0.79 0.37 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 3fl3 h TYR 25 CO 0.39 -0.36 0.03 0.00 -1.32 0.00 0.00 178.16 176.89 3fl3 h ASN 27 N 0.99 0.06 -0.01 0.00 2.35 -1.73 -0.95 115.58 116.31 3fl3 h ASN 27 Ca 0.18 0.09 -0.26 0.00 -0.55 0.00 0.00 56.30 55.76 3fl3 h ASN 27 Cb 0.54 0.11 0.02 0.00 0.05 0.00 0.00 38.32 39.03 3fl3 h ASN 27 CO 0.03 0.06 -1.01 -0.07 -1.65 0.00 0.00 177.43 174.79 3fl3 h LEU 28 N 0.29 0.90 -0.82 1.61 3.38 -1.07 -3.33 115.31 116.26 3fl3 h LEU 28 Ca 0.27 -0.73 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 3fl3 h LEU 28 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3fl3 h LEU 28 CO -0.33 1.51 -0.37 0.24 0.09 0.00 0.00 178.44 179.58 3fl3 h MET 29 N 0.37 0.44 -4.49 1.13 2.86 -0.36 -3.42 114.93 111.47 3fl3 h MET 29 Ca -0.12 -0.21 -0.50 0.00 -2.06 0.00 0.00 59.70 56.81 3fl3 h MET 29 Cb 1.66 -0.01 0.08 0.00 0.06 0.00 0.00 31.60 33.39 3fl3 h MET 29 CO 0.20 0.75 1.77 -1.33 1.06 0.00 0.00 176.91 179.36 3fl3 n MET 30 N -4.05 0.74 -1.22 1.72 2.81 -0.38 -4.60 117.12 112.15 3fl3 n MET 30 Ca -0.01 -1.26 -0.07 0.00 -1.81 0.00 0.00 57.70 54.54 3fl3 n MET 30 Cb 0.48 -2.56 -0.03 0.00 -0.71 0.00 0.00 33.22 30.40 3fl3 n MET 30 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3fl3 n ARG 33 N 6.76 -1.71 -2.29 0.03 5.12 -1.26 -0.49 116.66 122.82 3fl3 n ARG 33 Ca 0.40 0.75 -0.14 0.00 -1.93 0.00 0.00 57.85 56.93 3fl3 n ARG 33 Cb 0.32 -5.15 -0.01 0.00 -1.16 0.00 0.00 32.46 26.46 3fl3 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3fl3 n ASN 34 N -1.06 -4.41 -1.39 0.55 3.02 -1.26 -4.88 115.26 105.83 3fl3 n ASN 34 Ca -0.07 -0.02 0.10 0.00 -0.03 0.00 0.00 54.58 54.55 3fl3 n ASN 34 Cb 0.54 -3.55 0.32 0.00 -0.61 0.00 0.00 39.78 36.48 3fl3 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fl3 n LEU 35 N -2.10 4.09 -0.77 3.41 4.77 0.36 -3.98 117.00 122.78 3fl3 n LEU 35 Ca -0.17 -2.05 0.04 0.00 -0.03 0.00 0.00 56.01 53.80 3fl3 n LEU 35 Cb 0.63 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3fl3 n LEU 35 CO 0.20 0.82 0.27 0.35 -1.33 0.00 0.00 177.39 177.71 3fl3 n THR 36 N 1.24 0.84 -0.11 -5.08 -2.24 -1.23 -2.06 114.28 105.65 3fl3 n THR 36 Ca 0.23 -1.47 -0.13 0.00 -2.27 0.00 0.00 64.05 60.42 3fl3 n THR 36 Cb 0.72 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 3fl3 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3fl3 h LYS 37 N 0.55 0.75 0.00 -0.78 3.64 -1.91 -3.35 116.57 115.46 3fl3 h LYS 37 Ca -0.07 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3fl3 h LYS 37 Cb 1.40 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3fl3 h LYS 37 CO 0.03 0.98 -0.80 -0.25 -2.27 0.00 0.00 179.45 177.14 3fl3 n ASP 38 N -4.27 2.49 -3.62 4.20 10.43 -1.26 -5.07 116.55 119.46 3fl3 n ASP 38 Ca -0.03 -0.24 -0.06 0.00 2.57 0.00 0.00 54.79 57.03 3fl3 n ASP 38 Cb 0.44 1.12 -0.02 0.00 1.84 0.00 0.00 41.12 44.51 3fl3 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fl3 s ARG 39 N -1.94 0.97 -0.18 -1.24 1.70 -1.26 -5.07 118.95 111.92 3fl3 s ARG 39 Ca -0.00 -0.45 -0.26 0.00 -0.47 0.00 0.00 55.73 54.54 3fl3 s ARG 39 Cb 0.03 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.78 3fl3 s ARG 39 CO 0.18 -0.43 0.88 0.00 -1.08 0.00 0.00 175.30 174.85 3fl3 s LYS 41 N 2.39 4.27 0.27 0.00 2.20 -0.87 -4.92 119.74 123.08 3fl3 s LYS 41 Ca 0.40 1.97 -0.03 0.00 -0.36 0.00 0.00 55.97 57.94 3fl3 s LYS 41 Cb -0.16 -3.62 0.37 0.00 -1.51 0.00 0.00 37.83 32.91 3fl3 s LYS 41 CO 0.11 -0.61 1.92 -1.35 -0.36 0.00 0.00 175.35 175.06 3fl3 h PRO 42 N 8.02 1.19 -3.83 4.03 0.11 -1.94 -3.44 132.00 136.13 3fl3 h PRO 42 Ca -0.37 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 3fl3 h PRO 42 Cb 1.17 -0.27 -0.17 0.00 0.11 0.00 0.00 31.00 31.84 3fl3 h PRO 42 CO 0.91 0.79 -0.53 0.14 -0.21 0.00 0.00 178.00 179.10 3fl3 s VAL 43 N -6.03 0.14 0.16 3.15 -7.23 -1.26 -1.88 120.40 107.44 3fl3 s VAL 43 Ca -0.12 -1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 3fl3 s VAL 43 Cb 0.19 -0.92 0.05 0.00 0.56 0.00 0.00 36.38 36.25 3fl3 s VAL 43 CO 0.81 -0.62 0.52 0.21 -0.31 0.00 0.00 175.10 175.71 3fl3 s ASN 44 N -2.17 -0.37 -0.02 4.85 2.47 -0.60 -5.00 114.94 114.11 3fl3 s ASN 44 Ca -0.04 -0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.01 3fl3 s ASN 44 Cb -0.01 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 3fl3 s ASN 44 CO -0.05 -0.97 -0.08 -0.89 -3.72 0.00 0.00 177.10 171.39 3fl3 s THR 45 N -3.81 0.70 -0.05 -5.21 2.01 -1.26 0.03 115.64 108.06 3fl3 s THR 45 Ca 0.04 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3fl3 s THR 45 Cb -0.00 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 3fl3 s THR 45 CO -0.09 0.22 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.59 3fl3 s PHE 46 N 0.11 2.82 -0.10 4.92 0.08 -0.13 -4.96 117.98 120.71 3fl3 s PHE 46 Ca -0.02 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 3fl3 s PHE 46 Cb -0.07 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3fl3 s PHE 46 CO 0.00 0.28 -0.04 0.08 -0.10 0.00 0.00 175.22 175.43 3fl3 s VAL 47 N -0.81 3.89 -2.02 -0.44 1.01 -1.26 -0.65 120.40 120.11 3fl3 s VAL 47 Ca 0.13 -0.39 0.19 0.00 0.00 0.00 0.00 61.98 61.91 3fl3 s VAL 47 Cb -0.11 -2.64 0.32 0.00 0.00 0.00 0.00 36.38 33.95 3fl3 s VAL 47 CO 0.02 0.56 1.26 1.41 0.00 0.00 0.00 175.10 178.35 3fl3 n HIS 48 N 2.70 0.37 -1.98 5.22 -0.00 0.64 -4.95 115.22 117.21 3fl3 n HIS 48 Ca -0.18 -0.23 -0.28 0.00 -0.00 0.00 0.00 57.72 57.03 3fl3 n HIS 48 Cb 0.53 -0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.62 3fl3 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3fl3 s GLU 49 N -1.32 1.77 0.83 -0.41 0.41 -1.26 -4.97 118.70 113.76 3fl3 s GLU 49 Ca 0.30 -0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.68 3fl3 s GLU 49 Cb 0.18 -1.98 0.10 0.00 -1.78 0.00 0.00 34.13 30.65 3fl3 s GLU 49 CO 0.25 -1.67 1.13 -1.54 -0.49 0.00 0.00 175.26 172.95 3fl3 s SER 50 N -4.62 3.69 0.24 -0.19 1.04 -1.26 -4.85 113.70 107.74 3fl3 s SER 50 Ca 0.64 2.08 -0.04 0.00 0.48 0.00 0.00 55.95 59.11 3fl3 s SER 50 Cb -0.10 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.73 3fl3 s SER 50 CO 0.49 -2.59 1.75 0.25 0.98 0.00 0.00 173.24 174.12 3fl3 h LEU 51 N -1.35 0.90 -0.87 2.42 5.85 -1.97 -1.83 115.31 118.46 3fl3 h LEU 51 Ca -0.44 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.04 3fl3 h LEU 51 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3fl3 h LEU 51 CO 0.46 0.90 0.31 0.00 -0.34 0.00 0.00 178.44 179.78 3fl3 h ALA 52 N 1.20 1.10 -0.69 1.25 0.00 -1.99 0.72 119.26 120.85 3fl3 h ALA 52 Ca 0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fl3 h ALA 52 Cb 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3fl3 h ALA 52 CO 0.01 0.65 0.13 -0.44 0.00 0.00 0.00 179.25 179.59 3fl3 h ASP 53 N 1.12 1.08 -0.44 0.00 3.32 -1.80 -1.12 116.42 118.58 3fl3 h ASP 53 Ca 0.26 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3fl3 h ASP 53 Cb 0.20 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3fl3 h ASP 53 CO -0.02 1.06 0.01 0.58 -1.72 0.00 0.00 179.24 179.14 3fl3 h VAL 54 N 1.06 1.26 -0.25 -1.35 2.07 -0.90 -3.08 116.25 115.06 3fl3 h VAL 54 Ca 0.21 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3fl3 h VAL 54 Cb 0.42 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3fl3 h VAL 54 CO 0.01 0.35 0.01 1.56 0.02 0.00 0.00 177.57 179.53 3fl3 h GLN 55 N 0.62 0.37 0.00 1.57 4.20 -0.76 -2.16 115.11 118.94 3fl3 h GLN 55 Ca 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3fl3 h GLN 55 Cb 0.48 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3fl3 h GLN 55 CO 0.02 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 3fl3 h ALA 56 N 1.66 1.00 0.00 3.87 0.00 -1.11 -2.17 119.26 122.51 3fl3 h ALA 56 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fl3 h ALA 56 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fl3 h ALA 56 CO 0.00 0.00 -0.09 0.28 0.00 0.00 0.00 179.25 179.44 3fl3 h VAL 57 N 0.00 0.63 0.00 0.00 2.07 -1.43 -0.92 116.25 116.60 3fl3 h VAL 57 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3fl3 h VAL 57 Cb 0.09 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3fl3 h VAL 57 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 3fl3 n SER 59 N -1.30 1.68 0.00 0.00 2.88 -0.35 -5.01 113.62 111.52 3fl3 n SER 59 Ca 0.04 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 3fl3 n SER 59 Cb 0.08 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 3fl3 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fl3 n GLN 60 N -0.93 0.00 -2.91 -1.46 6.02 0.66 -4.99 117.38 113.77 3fl3 n GLN 60 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 3fl3 n GLN 60 Cb 0.72 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.94 3fl3 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3fl3 s LYS 61 N 2.74 3.94 0.00 -1.09 2.36 -0.91 -4.90 119.74 121.88 3fl3 s LYS 61 Ca 0.00 0.60 -0.30 0.00 -2.55 0.00 0.00 55.97 53.72 3fl3 s LYS 61 Cb 0.00 -3.74 -0.04 0.00 -1.05 0.00 0.00 37.83 33.00 3fl3 s LYS 61 CO 0.00 -0.73 1.16 1.21 1.55 0.00 0.00 175.35 178.54 3fl3 s ASN 62 N 1.66 7.12 0.19 1.43 3.04 -1.26 -0.12 114.94 126.99 3fl3 s ASN 62 Ca 0.34 1.87 -0.04 0.00 0.04 0.00 0.00 52.86 55.06 3fl3 s ASN 62 Cb -0.14 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 36.97 3fl3 s ASN 62 CO 0.13 -0.48 0.20 0.68 -3.04 0.00 0.00 177.10 174.59 3fl3 s VAL 63 N 1.54 0.03 0.20 -5.21 -7.23 0.05 -4.93 120.40 104.85 3fl3 s VAL 63 Ca 0.56 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.64 3fl3 s VAL 63 Cb -0.26 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.34 3fl3 s VAL 63 CO 0.26 -0.14 0.96 0.00 -0.31 0.00 0.00 175.10 175.87 3fl3 s ALA 64 N -4.09 3.32 0.80 1.32 0.00 -1.26 -3.04 121.76 118.81 3fl3 s ALA 64 Ca 0.30 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 3fl3 s ALA 64 Cb 0.05 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 20.00 3fl3 s ALA 64 CO 0.08 0.10 1.09 0.00 0.00 0.00 0.00 175.76 177.03 3fl3 h LYS 66 N -1.15 0.88 -0.12 0.00 1.57 -1.91 -0.13 116.57 115.71 3fl3 h LYS 66 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3fl3 h LYS 66 Cb 1.26 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3fl3 h LYS 66 CO 0.57 0.58 0.00 0.27 -0.57 0.00 0.00 179.45 180.30 3fl3 n ASN 67 N -4.48 0.78 0.00 0.86 0.23 -1.26 -4.88 115.26 106.51 3fl3 n ASN 67 Ca 0.12 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.38 3fl3 n ASN 67 Cb 0.21 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3fl3 n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fl3 n GLY 68 N 0.84 0.97 3.76 4.83 0.00 -0.06 -5.06 105.19 110.47 3fl3 n GLY 68 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3fl3 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fl3 s GLN 69 N -0.94 3.11 0.00 1.61 -0.21 -1.26 -4.65 119.66 117.32 3fl3 s GLN 69 Ca 0.00 1.67 0.22 0.00 0.02 0.00 0.00 55.36 57.27 3fl3 s GLN 69 Cb 0.00 -1.97 0.60 0.00 1.00 0.00 0.00 33.01 32.64 3fl3 s GLN 69 CO 0.00 -1.06 1.51 0.25 -2.12 0.00 0.00 175.29 173.87 3fl3 n THR 70 N -1.58 0.86 -1.31 -0.19 -2.24 -1.26 -0.42 114.28 108.14 3fl3 n THR 70 Ca 0.12 -0.91 -0.18 0.00 -2.27 0.00 0.00 64.05 60.81 3fl3 n THR 70 Cb 0.51 0.58 0.19 0.00 -2.10 0.00 0.00 70.33 69.50 3fl3 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3fl3 n ASN 71 N 1.58 3.33 -4.92 3.42 6.94 -1.26 -4.72 115.26 119.61 3fl3 n ASN 71 Ca 0.23 -3.67 -0.28 0.00 -0.02 0.00 0.00 54.58 50.84 3fl3 n ASN 71 Cb 0.60 -0.78 -0.03 0.00 -2.36 0.00 0.00 39.78 37.22 3fl3 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fl3 s TYR 73 N -1.80 -0.02 -0.15 0.00 1.51 0.40 -0.77 117.35 116.52 3fl3 s TYR 73 Ca 0.38 0.16 -0.08 0.00 -1.01 0.00 0.00 57.07 56.52 3fl3 s TYR 73 Cb -0.11 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 3fl3 s TYR 73 CO 0.28 -0.07 0.12 -1.14 -1.11 0.00 0.00 175.55 173.63 3fl3 s GLN 74 N 0.73 3.71 0.41 -0.62 0.74 0.83 -1.06 119.66 124.40 3fl3 s GLN 74 Ca -0.06 -0.21 -0.26 0.00 0.05 0.00 0.00 55.36 54.89 3fl3 s GLN 74 Cb -0.08 -3.24 -0.08 0.00 1.10 0.00 0.00 33.01 30.70 3fl3 s GLN 74 CO -0.02 0.56 1.29 -1.54 -0.55 0.00 0.00 175.29 175.03 3fl3 s SER 75 N -0.40 6.28 0.24 6.67 1.04 0.13 -2.15 113.70 125.51 3fl3 s SER 75 Ca 0.11 2.62 0.01 0.00 0.48 0.00 0.00 55.95 59.17 3fl3 s SER 75 Cb -0.12 -2.64 0.27 0.00 0.10 0.00 0.00 66.02 63.64 3fl3 s SER 75 CO 0.01 -0.87 1.61 1.88 0.98 0.00 0.00 173.24 176.86 3fl3 h TYR 76 N 2.61 0.56 -2.63 5.02 0.05 -1.94 -3.44 116.97 117.21 3fl3 h TYR 76 Ca -0.50 -0.16 -0.57 0.00 0.05 0.00 0.00 58.73 57.55 3fl3 h TYR 76 Cb 1.25 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 38.79 3fl3 h TYR 76 CO 0.53 0.82 -0.59 -1.12 -1.05 0.00 0.00 178.16 176.74 3fl3 s SER 77 N -6.86 5.20 0.72 3.88 0.01 -1.26 -5.08 113.70 110.31 3fl3 s SER 77 Ca -0.07 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 56.79 3fl3 s SER 77 Cb 0.12 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 65.14 3fl3 s SER 77 CO 0.81 0.05 1.10 0.42 0.41 0.00 0.00 173.24 176.03 3fl3 s THR 78 N -1.86 3.35 0.08 1.44 -4.23 -1.26 -4.55 115.64 108.61 3fl3 s THR 78 Ca 0.30 0.51 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 3fl3 s THR 78 Cb -0.09 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 3fl3 s THR 78 CO 0.22 -0.50 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.63 3fl3 s MET 79 N -4.60 0.83 -0.08 3.99 -1.94 0.70 -4.85 119.30 113.35 3fl3 s MET 79 Ca 0.63 -1.03 -0.30 0.00 -1.71 0.00 0.00 55.69 53.29 3fl3 s MET 79 Cb -0.18 -0.72 -0.03 0.00 2.01 0.00 0.00 34.83 35.91 3fl3 s MET 79 CO 0.50 0.14 1.25 0.45 -0.01 0.00 0.00 175.02 177.36 3fl3 s SER 80 N -2.00 6.99 0.15 3.03 0.15 -1.26 -1.44 113.70 119.31 3fl3 s SER 80 Ca 0.01 1.82 -0.02 0.00 0.70 0.00 0.00 55.95 58.45 3fl3 s SER 80 Cb -0.08 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 3fl3 s SER 80 CO 0.02 -0.66 0.10 0.27 1.20 0.00 0.00 173.24 174.17 3fl3 s ILE 81 N 2.67 0.08 -0.05 6.45 -4.36 -0.63 -0.26 121.20 125.10 3fl3 s ILE 81 Ca 0.57 -1.86 0.03 0.00 -0.26 0.00 0.00 60.65 59.13 3fl3 s ILE 81 Cb -0.25 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.36 3fl3 s ILE 81 CO 0.20 -0.35 -0.12 -0.89 0.24 0.00 0.00 174.94 174.02 3fl3 s THR 82 N -4.06 1.09 -0.14 8.37 2.01 0.17 -1.76 115.64 121.32 3fl3 s THR 82 Ca 0.26 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 3fl3 s THR 82 Cb 0.07 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 3fl3 s THR 82 CO 0.04 0.33 0.08 -1.81 -0.69 0.00 0.00 174.62 172.57 3fl3 s ASP 83 N 0.37 5.85 -0.13 3.53 1.01 0.12 -0.96 116.67 126.47 3fl3 s ASP 83 Ca -0.08 0.24 -0.01 0.00 0.71 0.00 0.00 52.55 53.41 3fl3 s ASP 83 Cb -0.13 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 3fl3 s ASP 83 CO 0.02 0.30 -0.11 0.00 0.21 0.00 0.00 175.17 175.59 3fl3 s ARG 85 N 0.24 0.02 0.37 0.00 3.52 -0.92 -1.55 118.95 120.62 3fl3 s ARG 85 Ca -0.07 0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.33 3fl3 s ARG 85 Cb -0.15 -0.16 -0.10 0.00 -1.56 0.00 0.00 34.95 32.98 3fl3 s ARG 85 CO 0.05 -0.08 1.43 -2.00 -0.81 0.00 0.00 175.30 173.88 3fl3 s GLU 86 N 0.55 4.13 0.82 5.12 2.12 -0.79 0.13 118.70 130.78 3fl3 s GLU 86 Ca -0.05 2.45 -0.08 0.00 0.36 0.00 0.00 54.97 57.65 3fl3 s GLU 86 Cb -0.07 -2.96 0.18 0.00 0.26 0.00 0.00 34.13 31.54 3fl3 s GLU 86 CO -0.01 -0.47 1.12 0.25 -0.54 0.00 0.00 175.26 175.61 3fl3 n THR 87 N 0.47 0.00 0.14 -1.70 -2.24 -0.46 -4.77 114.28 105.72 3fl3 n THR 87 Ca 0.01 -1.25 -0.00 0.00 -2.27 0.00 0.00 64.05 60.54 3fl3 n THR 87 Cb 0.40 -1.21 0.17 0.00 -2.10 0.00 0.00 70.33 67.59 3fl3 n THR 87 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3fl3 h GLY 88 N -1.12 0.00 2.00 3.38 0.00 -1.95 -3.21 103.07 102.18 3fl3 h GLY 88 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3fl3 h GLY 88 CO 0.32 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.62 3fl3 h SER 89 N 0.00 0.00 -2.72 0.19 0.02 -1.93 -3.46 113.55 105.65 3fl3 h SER 89 Ca -0.01 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.36 3fl3 h SER 89 Cb 1.15 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.77 3fl3 h SER 89 CO 0.08 0.00 0.62 -0.24 -1.14 0.00 0.00 176.83 176.14 3fl3 n SER 90 N -3.01 2.78 -3.47 3.07 2.88 -1.21 -4.93 113.62 109.72 3fl3 n SER 90 Ca 0.02 1.14 0.01 0.00 -1.33 0.00 0.00 58.87 58.72 3fl3 n SER 90 Cb 0.40 -1.43 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 3fl3 n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3fl3 s LYS 91 N -0.47 0.50 0.31 -1.46 2.20 -1.06 -4.90 119.74 114.85 3fl3 s LYS 91 Ca 0.68 1.16 -0.29 0.00 -0.36 0.00 0.00 55.97 57.16 3fl3 s LYS 91 Cb -0.64 0.69 -0.13 0.00 -1.51 0.00 0.00 37.83 36.24 3fl3 s LYS 91 CO 0.50 -0.26 1.21 0.98 -0.36 0.00 0.00 175.35 177.42 3fl3 n TYR 92 N 5.35 1.90 0.11 4.03 9.36 -1.26 -0.22 117.16 136.43 3fl3 n TYR 92 Ca -0.09 0.59 0.02 0.00 3.32 0.00 0.00 57.90 61.74 3fl3 n TYR 92 Cb 0.50 -2.36 0.18 0.00 -0.63 0.00 0.00 39.34 37.03 3fl3 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fl3 n PRO 93 N 0.84 2.69 -3.11 2.98 -0.04 -1.26 -4.95 135.00 132.15 3fl3 n PRO 93 Ca 0.08 -1.44 -0.34 0.00 -0.04 0.00 0.00 63.50 61.75 3fl3 n PRO 93 Cb 0.34 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3fl3 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fl3 n ASN 94 N 0.24 5.22 -4.77 3.54 5.03 0.69 -5.06 115.26 120.14 3fl3 n ASN 94 Ca 0.14 -3.51 -0.39 0.00 0.87 0.00 0.00 54.58 51.70 3fl3 n ASN 94 Cb 0.72 -0.91 -0.02 0.00 -1.02 0.00 0.00 39.78 38.55 3fl3 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fl3 s ALA 96 N -1.38 0.00 0.06 0.00 0.00 -1.26 -4.90 121.76 114.29 3fl3 s ALA 96 Ca 0.55 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3fl3 s ALA 96 Cb -0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3fl3 s ALA 96 CO 0.39 -0.01 -0.09 0.71 0.00 0.00 0.00 175.76 176.76 3fl3 s TYR 97 N 0.05 0.84 -0.06 0.00 2.02 -1.26 -1.35 117.35 117.59 3fl3 s TYR 97 Ca -0.00 -0.54 -0.13 0.00 -0.37 0.00 0.00 57.07 56.02 3fl3 s TYR 97 Cb -0.01 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 41.01 3fl3 s TYR 97 CO -0.00 -0.05 0.34 0.21 -1.57 0.00 0.00 175.55 174.47 3fl3 s LYS 98 N -1.93 3.89 -0.21 -0.62 2.20 0.12 -4.60 119.74 118.58 3fl3 s LYS 98 Ca -0.05 0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 55.75 3fl3 s LYS 98 Cb -0.08 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 3fl3 s LYS 98 CO 0.00 0.61 0.03 0.99 -0.36 0.00 0.00 175.35 176.62 3fl3 s THR 99 N -0.73 4.18 -0.12 3.43 2.01 -1.26 -2.17 115.64 120.98 3fl3 s THR 99 Ca 0.21 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.99 3fl3 s THR 99 Cb -0.15 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.47 3fl3 s THR 99 CO 0.10 0.40 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.42 3fl3 s THR 100 N 1.12 1.35 0.25 -0.82 2.01 -0.07 -4.83 115.64 114.65 3fl3 s THR 100 Ca 0.03 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 3fl3 s THR 100 Cb -0.14 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 3fl3 s THR 100 CO 0.02 0.42 0.74 -1.58 -0.69 0.00 0.00 174.62 173.53 3fl3 s GLN 101 N 1.36 4.21 0.24 4.92 2.00 -1.26 0.13 119.66 131.26 3fl3 s GLN 101 Ca 0.00 0.84 -0.13 0.00 -2.00 0.00 0.00 55.36 54.07 3fl3 s GLN 101 Cb -0.13 -2.77 -0.00 0.00 0.80 0.00 0.00 33.01 30.90 3fl3 s GLN 101 CO -0.06 0.33 0.49 0.00 -0.50 0.00 0.00 175.29 175.55 3fl3 s ALA 102 N -1.63 -0.34 -0.25 1.58 0.00 -0.72 -4.95 121.76 115.45 3fl3 s ALA 102 Ca 0.46 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 3fl3 s ALA 102 Cb -0.15 1.03 0.08 0.00 0.00 0.00 0.00 23.12 24.08 3fl3 s ALA 102 CO 0.20 -0.85 0.04 -0.80 0.00 0.00 0.00 175.76 174.34 3fl3 s ASN 103 N -3.00 3.63 0.18 0.00 -0.87 -1.26 -1.60 114.94 112.02 3fl3 s ASN 103 Ca 0.21 -1.26 -0.08 0.00 -1.57 0.00 0.00 52.86 50.16 3fl3 s ASN 103 Cb -0.01 -0.88 -0.01 0.00 -0.02 0.00 0.00 41.25 40.32 3fl3 s ASN 103 CO 0.08 -0.33 0.28 -0.54 -2.57 0.00 0.00 177.10 174.02 3fl3 s LYS 104 N 1.61 1.22 0.38 -0.60 1.02 -0.52 -4.76 119.74 118.09 3fl3 s LYS 104 Ca 0.02 -1.28 -0.23 0.00 0.02 0.00 0.00 55.97 54.51 3fl3 s LYS 104 Cb -0.18 0.37 -0.10 0.00 -0.52 0.00 0.00 37.83 37.40 3fl3 s LYS 104 CO -0.14 -0.45 0.94 -1.01 -0.92 0.00 0.00 175.35 173.77 3fl3 s HIS 105 N -4.01 3.47 0.20 3.18 3.76 0.92 -0.21 115.29 122.59 3fl3 s HIS 105 Ca 0.22 1.66 0.08 0.00 -0.15 0.00 0.00 55.06 56.87 3fl3 s HIS 105 Cb 0.03 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 3fl3 s HIS 105 CO 0.04 0.03 0.00 0.96 -0.85 0.00 0.00 174.74 174.92 3fl3 s ILE 106 N -1.94 3.64 -0.09 0.60 -4.36 -1.26 -0.85 121.20 116.92 3fl3 s ILE 106 Ca 0.57 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 59.40 3fl3 s ILE 106 Cb -0.13 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.73 3fl3 s ILE 106 CO 0.17 -0.20 -0.13 -0.63 0.24 0.00 0.00 174.94 174.40 3fl3 s ILE 107 N -1.91 1.27 0.13 8.37 1.01 0.36 -0.69 121.20 129.75 3fl3 s ILE 107 Ca 0.29 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.48 3fl3 s ILE 107 Cb -0.08 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3fl3 s ILE 107 CO 0.19 0.39 -0.13 0.68 0.00 0.00 0.00 174.94 176.07 3fl3 s VAL 108 N 0.99 1.30 -0.12 2.92 -7.23 -0.22 -0.48 120.40 117.56 3fl3 s VAL 108 Ca -0.08 -1.82 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 3fl3 s VAL 108 Cb -0.15 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3fl3 s VAL 108 CO -0.01 -0.50 0.15 0.00 -0.31 0.00 0.00 175.10 174.43 3fl3 s ALA 109 N -2.45 3.86 0.12 1.32 0.00 -0.23 -0.45 121.76 123.92 3fl3 s ALA 109 Ca 0.11 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 51.54 3fl3 s ALA 109 Cb -0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3fl3 s ALA 109 CO 0.03 0.58 -0.24 0.00 0.00 0.00 0.00 175.76 176.12 3fl3 s GLU 111 N -2.01 1.23 0.00 0.00 -1.05 -0.66 -4.89 118.70 111.31 3fl3 s GLU 111 Ca 0.15 -0.33 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 3fl3 s GLU 111 Cb -0.10 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 3fl3 s GLU 111 CO 0.07 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.18 3fl3 n GLY 112 N -0.13 0.77 2.65 -3.83 0.00 -1.26 -2.11 105.19 101.28 3fl3 n GLY 112 Ca -0.17 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 3fl3 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fl3 s ASN 113 N 0.00 2.97 0.80 1.61 3.04 -1.26 -2.92 114.94 119.18 3fl3 s ASN 113 Ca 0.00 -0.94 -0.13 0.00 0.04 0.00 0.00 52.86 51.83 3fl3 s ASN 113 Cb 0.00 -0.44 0.08 0.00 -1.54 0.00 0.00 41.25 39.34 3fl3 s ASN 113 CO 0.00 -0.36 1.20 -2.16 -3.04 0.00 0.00 177.10 172.73 3fl3 s PRO 114 N 1.99 1.71 -0.46 0.43 0.04 -1.26 -5.09 135.00 132.35 3fl3 s PRO 114 Ca 0.03 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.53 3fl3 s PRO 114 Cb -0.16 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.62 3fl3 s PRO 114 CO -0.17 -2.16 1.00 -0.47 0.04 0.00 0.00 177.00 175.24 3fl3 s TYR 115 N -2.18 2.89 0.17 0.56 5.04 -1.15 -4.88 117.35 117.81 3fl3 s TYR 115 Ca 0.72 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 3fl3 s TYR 115 Cb -0.28 -4.11 -0.04 0.00 0.35 0.00 0.00 41.96 37.87 3fl3 s TYR 115 CO 0.50 -1.15 0.06 0.14 -1.34 0.00 0.00 175.55 173.76 3fl3 s VAL 116 N 3.98 0.31 0.26 3.14 -7.23 -0.89 -4.85 120.40 115.11 3fl3 s VAL 116 Ca 0.41 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 3fl3 s VAL 116 Cb -0.09 -2.22 -0.10 0.00 0.56 0.00 0.00 36.38 34.53 3fl3 s VAL 116 CO 0.28 -0.33 1.36 -2.84 -0.31 0.00 0.00 175.10 173.25 3fl3 s PRO 117 N -4.03 4.33 0.00 4.82 0.02 -1.26 -1.66 135.00 137.23 3fl3 s PRO 117 Ca 0.28 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3fl3 s PRO 117 Cb 0.07 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3fl3 s PRO 117 CO 0.06 -0.29 0.00 1.33 -0.33 0.00 0.00 177.00 177.76 3fl3 n VAL 118 N 1.92 0.00 -3.78 3.83 0.24 0.27 -4.90 118.33 115.91 3fl3 n VAL 118 Ca 0.04 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 3fl3 n VAL 118 Cb 0.41 0.91 -0.12 0.00 -1.47 0.00 0.00 33.84 33.58 3fl3 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3fl3 s HIS 119 N -0.93 -0.29 -0.33 6.34 5.65 -1.16 -4.98 115.29 119.59 3fl3 s HIS 119 Ca 0.00 0.70 -0.18 0.00 0.25 0.00 0.00 55.06 55.83 3fl3 s HIS 119 Cb 0.00 0.10 -0.01 0.00 -1.18 0.00 0.00 32.58 31.49 3fl3 s HIS 119 CO 0.00 -0.14 0.52 0.12 -0.65 0.00 0.00 174.74 174.59 3fl3 s PHE 120 N 0.21 3.20 -0.16 3.88 2.19 -1.26 -1.07 117.98 124.96 3fl3 s PHE 120 Ca -0.01 0.30 0.06 0.00 0.33 0.00 0.00 56.93 57.61 3fl3 s PHE 120 Cb -0.02 -2.89 -0.23 0.00 -1.31 0.00 0.00 43.02 38.57 3fl3 s PHE 120 CO -0.00 -0.48 0.19 -3.47 1.83 0.00 0.00 175.22 173.29 3fl3 n ASP 121 N 5.71 1.30 -3.62 6.13 2.03 0.37 -4.98 116.55 123.50 3fl3 n ASP 121 Ca -0.04 0.11 -0.02 0.00 0.52 0.00 0.00 54.79 55.35 3fl3 n ASP 121 Cb 0.49 -0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.77 3fl3 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fl3 s ALA 122 N -2.54 -2.09 0.05 -1.67 0.00 -1.05 -4.92 121.76 109.54 3fl3 s ALA 122 Ca -0.19 0.99 0.06 0.00 0.00 0.00 0.00 51.96 52.82 3fl3 s ALA 122 Cb 0.07 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3fl3 s ALA 122 CO 0.75 -0.86 -0.18 -1.54 0.00 0.00 0.00 175.76 173.92 3fl3 s SER 123 N -2.65 2.16 0.00 0.00 1.04 -1.26 -0.49 113.70 112.50 3fl3 s SER 123 Ca 0.12 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3fl3 s SER 123 Cb 0.02 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3fl3 s SER 123 CO -0.04 0.09 0.00 1.33 0.98 0.00 0.00 173.24 175.60