#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwu s PRO 1 N 0.00 3.53 -0.04 0.03 0.04 -1.24 -4.65 135.00 132.67 3fwu s PRO 1 Ca 0.00 0.91 0.06 0.00 0.04 0.00 0.00 61.00 62.01 3fwu s PRO 1 Cb 0.00 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3fwu s PRO 1 CO 0.00 -0.62 -0.24 0.08 0.04 0.00 0.00 177.00 176.25 3fwu s VAL 2 N -2.91 1.95 -0.19 -0.36 1.01 0.28 -1.66 120.40 118.53 3fwu s VAL 2 Ca 0.58 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3fwu s VAL 2 Cb -0.12 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.66 3fwu s VAL 2 CO 0.46 0.55 -0.05 -0.63 0.00 0.00 0.00 175.10 175.42 3fwu s ILE 3 N -0.28 1.22 -0.21 2.22 1.01 -0.20 -0.48 121.20 124.48 3fwu s ILE 3 Ca 0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 3fwu s ILE 3 Cb -0.12 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3fwu s ILE 3 CO 0.02 0.07 0.11 -1.10 0.00 0.00 0.00 174.94 174.03 3fwu s GLN 4 N 1.57 4.01 -0.31 2.79 -0.21 -0.18 -1.77 119.66 125.57 3fwu s GLN 4 Ca -0.01 -0.31 -0.04 0.00 0.02 0.00 0.00 55.36 55.02 3fwu s GLN 4 Cb -0.16 -3.37 0.04 0.00 1.00 0.00 0.00 33.01 30.51 3fwu s GLN 4 CO -0.07 0.16 0.05 0.99 -2.12 0.00 0.00 175.29 174.29 3fwu s THR 5 N 0.73 3.41 -0.23 -0.19 2.01 -0.38 -0.79 115.64 120.21 3fwu s THR 5 Ca 0.06 -1.19 -0.09 0.00 0.31 0.00 0.00 61.69 60.78 3fwu s THR 5 Cb -0.13 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3fwu s THR 5 CO 0.02 -0.10 0.12 -0.36 -0.69 0.00 0.00 174.62 173.61 3fwu s PHE 6 N 1.34 3.26 0.11 4.92 0.40 -0.30 -0.12 117.98 127.60 3fwu s PHE 6 Ca -0.03 0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 3fwu s PHE 6 Cb -0.19 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 3fwu s PHE 6 CO 0.01 0.02 -0.12 0.14 0.70 0.00 0.00 175.22 175.96 3fwu s VAL 7 N 0.98 1.14 -0.89 -0.44 -7.23 -0.68 -0.75 120.40 112.53 3fwu s VAL 7 Ca 0.06 -1.69 0.26 0.00 -1.81 0.00 0.00 61.98 58.80 3fwu s VAL 7 Cb -0.14 -1.45 0.08 0.00 0.56 0.00 0.00 36.38 35.44 3fwu s VAL 7 CO 0.03 -0.49 1.52 -1.54 -0.31 0.00 0.00 175.10 174.31 3fwu n SER 8 N 0.53 0.47 -4.96 4.85 3.41 -0.84 -0.96 113.62 116.11 3fwu n SER 8 Ca -0.16 0.06 -0.22 0.00 -0.26 0.00 0.00 58.87 58.30 3fwu n SER 8 Cb 0.57 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3fwu n SER 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3fwu s THR 9 N -3.05 4.38 0.37 6.66 -4.23 -1.26 -4.04 115.64 114.47 3fwu s THR 9 Ca 0.10 -0.69 -0.27 0.00 -1.18 0.00 0.00 61.69 59.66 3fwu s THR 9 Cb 0.16 -3.58 -0.09 0.00 1.34 0.00 0.00 72.50 70.34 3fwu s THR 9 CO 0.66 -0.33 1.19 -2.84 -0.54 0.00 0.00 174.62 172.77 3fwu s PRO 10 N -4.33 4.20 -0.10 3.99 0.02 -1.26 -0.48 135.00 137.04 3fwu s PRO 10 Ca 0.44 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3fwu s PRO 10 Cb -0.10 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.56 3fwu s PRO 10 CO 0.35 -0.22 -0.11 -0.51 -0.33 0.00 0.00 177.00 176.18 3fwu s LEU 11 N -2.18 2.88 0.00 -5.54 1.43 -1.26 -4.89 118.68 109.12 3fwu s LEU 11 Ca 0.53 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3fwu s LEU 11 Cb -0.33 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.31 3fwu s LEU 11 CO 0.42 0.25 0.48 -0.90 0.23 0.00 0.00 176.35 176.84 3fwu n ASP 12 N 2.97 2.58 -0.19 2.29 5.68 -1.26 -4.93 116.55 123.68 3fwu n ASP 12 Ca -0.18 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.34 3fwu n ASP 12 Cb 0.53 -0.12 0.09 0.00 -1.14 0.00 0.00 41.12 40.48 3fwu n ASP 12 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3fwu h HIS 13 N 0.54 0.02 -0.41 2.11 -0.00 -2.00 -1.69 115.15 113.72 3fwu h HIS 13 Ca -0.32 0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.12 3fwu h HIS 13 Cb 1.24 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.70 3fwu h HIS 13 CO 0.00 -0.12 0.21 1.25 -0.00 0.00 0.00 177.93 179.27 3fwu h HIS 14 N 0.15 0.40 -0.38 5.26 -0.00 -1.99 0.00 115.15 118.59 3fwu h HIS 14 Ca 0.31 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.53 3fwu h HIS 14 Cb 0.48 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 3fwu h HIS 14 CO -0.33 0.21 -0.41 0.87 -0.00 0.00 0.00 177.93 178.28 3fwu h LYS 15 N 0.43 0.94 -0.38 5.26 1.57 -1.81 -1.56 116.57 121.02 3fwu h LYS 15 Ca 0.17 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.36 3fwu h LYS 15 Cb 0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3fwu h LYS 15 CO -0.11 1.16 -0.08 0.00 -0.57 0.00 0.00 179.45 179.85 3fwu h ARG 16 N 0.76 0.73 -0.15 3.15 3.08 -1.04 0.60 114.38 121.50 3fwu h ARG 16 Ca 0.06 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3fwu h ARG 16 Cb 1.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3fwu h ARG 16 CO 0.10 0.86 0.10 1.49 -1.07 0.00 0.00 179.97 181.45 3fwu h GLU 17 N 0.53 0.20 -0.61 0.04 4.57 -0.99 0.60 114.58 118.92 3fwu h GLU 17 Ca 0.10 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3fwu h GLU 17 Cb 0.59 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 3fwu h GLU 17 CO 0.03 0.14 0.36 -0.91 -1.18 0.00 0.00 179.01 177.46 3fwu h ASN 18 N 0.20 0.74 -0.35 1.04 2.35 -1.13 -1.07 115.58 117.36 3fwu h ASN 18 Ca 0.05 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 3fwu h ASN 18 Cb -0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3fwu h ASN 18 CO -0.01 0.59 0.05 -0.07 -1.65 0.00 0.00 177.43 176.34 3fwu h LEU 19 N 0.83 0.57 -1.15 1.61 3.38 -0.81 -1.76 115.31 117.99 3fwu h LEU 19 Ca 0.22 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.01 3fwu h LEU 19 Cb -0.01 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3fwu h LEU 19 CO -0.04 0.70 0.59 0.00 0.09 0.00 0.00 178.44 179.78 3fwu h ALA 20 N 0.89 1.59 -0.19 1.53 0.00 -0.55 0.57 119.26 123.10 3fwu h ALA 20 Ca 0.11 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3fwu h ALA 20 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fwu h ALA 20 CO 0.01 0.23 -0.54 1.96 0.00 0.00 0.00 179.25 180.91 3fwu h GLN 21 N 0.94 0.57 -0.49 0.00 1.08 -1.02 0.32 115.11 116.51 3fwu h GLN 21 Ca 0.42 -0.35 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3fwu h GLN 21 Cb 0.38 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.81 3fwu h GLN 21 CO -0.19 0.96 0.28 0.28 -0.95 0.00 0.00 178.83 179.22 3fwu h VAL 22 N 0.44 1.02 -0.10 -0.54 2.07 -0.40 -1.68 116.25 117.06 3fwu h VAL 22 Ca 0.01 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 3fwu h VAL 22 Cb 1.08 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3fwu h VAL 22 CO 0.10 0.10 -0.52 1.88 0.02 0.00 0.00 177.57 179.15 3fwu h TYR 23 N 0.56 0.34 -0.41 1.57 0.05 -0.62 -1.39 116.97 117.07 3fwu h TYR 23 Ca 0.20 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 3fwu h TYR 23 Cb 0.05 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 3fwu h TYR 23 CO -0.08 0.74 0.13 0.00 -1.05 0.00 0.00 178.16 177.91 3fwu h ARG 24 N 0.22 0.63 -0.47 4.88 3.08 -0.80 -2.05 114.38 119.88 3fwu h ARG 24 Ca 0.01 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3fwu h ARG 24 Cb 0.99 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3fwu h ARG 24 CO 0.08 0.62 0.23 0.00 -1.07 0.00 0.00 179.97 179.83 3fwu h ALA 25 N 0.98 0.60 -0.30 0.04 0.00 -1.04 -2.60 119.26 116.95 3fwu h ALA 25 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3fwu h ALA 25 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3fwu h ALA 25 CO -0.01 0.17 -0.09 -0.39 0.00 0.00 0.00 179.25 178.93 3fwu h VAL 26 N 0.61 1.22 -0.49 0.00 -1.51 -1.20 0.10 116.25 114.98 3fwu h VAL 26 Ca 0.16 -0.94 -0.10 0.00 -1.23 0.00 0.00 66.70 64.59 3fwu h VAL 26 Cb 0.12 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 3fwu h VAL 26 CO -0.02 0.31 -0.09 0.74 -1.23 0.00 0.00 177.57 177.28 3fwu h THR 27 N 0.46 1.27 0.02 7.19 2.02 -1.18 -0.90 112.91 121.80 3fwu h THR 27 Ca 0.09 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 3fwu h THR 27 Cb 0.44 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3fwu h THR 27 CO 0.02 0.42 -0.15 -0.09 0.37 0.00 0.00 175.52 176.10 3fwu h ARG 28 N 0.78 0.06 0.11 6.66 2.43 -1.25 0.11 114.38 123.29 3fwu h ARG 28 Ca 0.13 -0.10 -0.29 0.00 -0.81 0.00 0.00 59.98 58.91 3fwu h ARG 28 Cb 0.64 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3fwu h ARG 28 CO 0.04 1.00 -1.38 -0.44 -1.51 0.00 0.00 179.97 177.68 3fwu h ASP 29 N -0.82 0.37 0.00 -3.80 3.32 -0.86 -2.76 116.42 111.87 3fwu h ASP 29 Ca -0.02 -0.45 -0.41 0.00 0.02 0.00 0.00 57.03 56.16 3fwu h ASP 29 Cb 1.07 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 3fwu h ASP 29 CO 0.03 1.37 -2.42 0.52 -1.72 0.00 0.00 179.24 177.01 3fwu n VAL 30 N -3.46 1.41 0.57 -1.35 0.31 -0.46 -4.53 118.33 110.81 3fwu n VAL 30 Ca -0.12 -0.43 0.13 0.00 -0.01 0.00 0.00 64.34 63.91 3fwu n VAL 30 Cb 1.03 -1.67 0.35 0.00 -0.91 0.00 0.00 33.84 32.65 3fwu n VAL 30 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3fwu h LEU 31 N -0.58 0.00 -0.16 7.52 3.38 -1.17 -3.47 115.31 120.83 3fwu h LEU 31 Ca -0.61 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 56.99 3fwu h LEU 31 Cb 1.67 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.52 3fwu h LEU 31 CO -0.28 0.01 -0.56 0.61 0.09 0.00 0.00 178.44 178.31 3fwu n GLY 32 N 1.28 -0.35 3.33 0.83 0.00 -0.68 -4.95 105.19 104.66 3fwu n GLY 32 Ca 0.05 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3fwu n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwu s LYS 33 N -5.88 1.28 0.20 1.61 1.02 0.29 -4.98 119.74 113.30 3fwu s LYS 33 Ca 0.40 -1.57 -0.30 0.00 0.02 0.00 0.00 55.97 54.52 3fwu s LYS 33 Cb -0.18 -1.02 -0.09 0.00 -0.52 0.00 0.00 37.83 36.02 3fwu s LYS 33 CO 0.50 0.16 1.42 -1.25 -0.92 0.00 0.00 175.35 175.25 3fwu s PRO 34 N -3.67 4.30 0.53 -1.68 0.04 -1.26 -3.17 135.00 130.09 3fwu s PRO 34 Ca 0.22 2.21 0.31 0.00 0.04 0.00 0.00 61.00 63.77 3fwu s PRO 34 Cb 0.00 -3.16 1.38 0.00 0.04 0.00 0.00 34.50 32.76 3fwu s PRO 34 CO 0.06 -0.40 2.00 1.05 0.04 0.00 0.00 177.00 179.75 3fwu h GLU 35 N 5.63 0.00 0.00 4.56 4.11 -1.89 -2.11 114.58 124.88 3fwu h GLU 35 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3fwu h GLU 35 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3fwu h GLU 35 CO 0.81 0.09 0.00 -0.44 0.07 0.00 0.00 179.01 179.54 3fwu h ASP 36 N 0.00 0.00 -0.59 3.06 3.32 -1.92 -3.18 116.42 117.11 3fwu h ASP 36 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fwu h ASP 36 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3fwu h ASP 36 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 3fwu n LEU 37 N -2.67 3.74 -4.67 1.55 4.32 -0.79 -4.85 117.00 113.62 3fwu n LEU 37 Ca 0.02 -1.81 -0.40 0.00 -0.02 0.00 0.00 56.01 53.79 3fwu n LEU 37 Cb 0.30 -0.39 -0.05 0.00 -1.62 0.00 0.00 43.42 41.65 3fwu n LEU 37 CO 0.25 0.89 0.42 0.54 -1.22 0.00 0.00 177.39 178.27 3fwu s VAL 38 N -1.17 5.00 -0.19 4.08 0.11 -1.20 -3.68 120.40 123.35 3fwu s VAL 38 Ca 0.44 1.30 -0.12 0.00 -2.93 0.00 0.00 61.98 60.68 3fwu s VAL 38 Cb 0.24 -3.99 -0.05 0.00 -1.53 0.00 0.00 36.38 31.05 3fwu s VAL 38 CO 0.32 0.11 0.20 -0.32 -3.33 0.00 0.00 175.10 172.08 3fwu s MET 39 N 1.81 4.21 -0.07 1.54 1.75 -0.66 -4.99 119.30 122.89 3fwu s MET 39 Ca 0.32 -0.09 0.04 0.00 -1.25 0.00 0.00 55.69 54.70 3fwu s MET 39 Cb -0.16 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 34.08 3fwu s MET 39 CO 0.12 0.25 -0.19 -1.64 -0.65 0.00 0.00 175.02 172.91 3fwu s MET 40 N 0.47 2.29 0.08 4.11 -1.94 -1.26 -1.03 119.30 122.02 3fwu s MET 40 Ca 0.11 -0.67 0.10 0.00 -1.71 0.00 0.00 55.69 53.52 3fwu s MET 40 Cb -0.12 -1.83 -0.03 0.00 2.01 0.00 0.00 34.83 34.85 3fwu s MET 40 CO 0.01 0.16 -0.26 0.95 -0.01 0.00 0.00 175.02 175.87 3fwu s THR 41 N 0.34 2.28 -0.12 2.05 -4.23 -0.73 -5.00 115.64 110.24 3fwu s THR 41 Ca -0.13 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3fwu s THR 41 Cb -0.16 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.75 3fwu s THR 41 CO 0.05 0.24 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.83 3fwu s PHE 42 N -0.93 2.31 -0.46 3.99 0.40 -1.26 -1.25 117.98 120.79 3fwu s PHE 42 Ca 0.13 -1.11 0.03 0.00 -0.60 0.00 0.00 56.93 55.38 3fwu s PHE 42 Cb -0.10 -1.61 0.13 0.00 0.51 0.00 0.00 43.02 41.95 3fwu s PHE 42 CO 0.04 -0.52 0.23 -1.01 0.70 0.00 0.00 175.22 174.66 3fwu s HIS 43 N 0.84 2.45 0.53 0.36 3.76 0.83 -4.98 115.29 119.07 3fwu s HIS 43 Ca -0.08 -2.67 0.03 0.00 -0.15 0.00 0.00 55.06 52.18 3fwu s HIS 43 Cb -0.15 -2.24 0.03 0.00 1.11 0.00 0.00 32.58 31.33 3fwu s HIS 43 CO -0.01 -0.78 0.74 0.16 -0.85 0.00 0.00 174.74 174.00 3fwu s ASP 44 N 0.22 5.33 -1.67 1.40 -4.77 -1.26 -1.68 116.67 114.23 3fwu s ASP 44 Ca 0.17 -0.12 -0.17 0.00 -3.30 0.00 0.00 52.55 49.13 3fwu s ASP 44 Cb -0.24 -0.79 0.14 0.00 -1.09 0.00 0.00 42.92 40.94 3fwu s ASP 44 CO -0.01 -1.09 0.78 -1.20 0.70 0.00 0.00 175.17 174.35 3fwu n SER 45 N -2.25 -3.25 -4.68 2.11 7.64 0.37 -4.89 113.62 108.67 3fwu n SER 45 Ca 0.08 -0.99 -0.42 0.00 1.01 0.00 0.00 58.87 58.55 3fwu n SER 45 Cb 0.60 -2.86 -0.03 0.00 -1.01 0.00 0.00 64.21 60.90 3fwu n SER 45 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3fwu s THR 46 N -3.33 4.78 0.02 0.44 2.01 -0.14 -4.93 115.64 114.49 3fwu s THR 46 Ca 0.69 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 64.34 3fwu s THR 46 Cb -0.37 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 67.79 3fwu s THR 46 CO 0.92 -0.03 1.68 -2.84 -0.69 0.00 0.00 174.62 173.66 3fwu s PRO 47 N 2.32 4.19 0.20 4.92 0.02 -1.26 -4.07 135.00 141.32 3fwu s PRO 47 Ca 0.45 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.78 3fwu s PRO 47 Cb -0.17 -3.80 -0.05 0.00 0.02 0.00 0.00 34.50 30.50 3fwu s PRO 47 CO 0.14 -0.79 0.05 -1.64 -0.33 0.00 0.00 177.00 174.42 3fwu s MET 48 N 3.34 1.22 -0.17 5.54 -1.94 -1.26 -5.08 119.30 120.95 3fwu s MET 48 Ca 0.75 -1.62 -0.11 0.00 -1.71 0.00 0.00 55.69 53.00 3fwu s MET 48 Cb -0.38 -0.21 0.06 0.00 2.01 0.00 0.00 34.83 36.31 3fwu s MET 48 CO 0.32 -0.21 0.43 -1.58 -0.01 0.00 0.00 175.02 173.96 3fwu s HIS 49 N -3.74 -0.59 -0.29 -0.03 2.46 -1.26 -4.32 115.29 107.52 3fwu s HIS 49 Ca 0.30 1.29 -0.17 0.00 0.47 0.00 0.00 55.06 56.95 3fwu s HIS 49 Cb 0.07 0.26 0.13 0.00 -0.13 0.00 0.00 32.58 32.90 3fwu s HIS 49 CO 0.08 -0.32 0.92 0.12 -2.47 0.00 0.00 174.74 173.06 3fwu s PHE 50 N 1.11 -0.67 -1.50 3.88 5.36 -0.59 -4.96 117.98 120.61 3fwu s PHE 50 Ca -0.07 1.36 -0.11 0.00 -0.96 0.00 0.00 56.93 57.15 3fwu s PHE 50 Cb -0.07 0.41 0.07 0.00 -0.34 0.00 0.00 43.02 43.09 3fwu s PHE 50 CO -0.10 -0.33 0.93 0.34 -1.46 0.00 0.00 175.22 174.60 3fwu n PHE 51 N 3.67 -2.23 -1.04 10.12 7.35 -1.26 -2.02 117.46 132.05 3fwu n PHE 51 Ca -0.18 0.89 -0.01 0.00 -0.76 0.00 0.00 57.45 57.39 3fwu n PHE 51 Cb 0.58 -4.04 -0.01 0.00 0.35 0.00 0.00 39.48 36.37 3fwu n PHE 51 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fwu n GLY 52 N -1.68 0.51 3.70 7.13 0.00 -1.26 -5.02 105.19 108.57 3fwu n GLY 52 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 3fwu n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fwu s SER 53 N -2.38 -0.19 -0.09 1.61 1.04 -0.86 -5.01 113.70 107.82 3fwu s SER 53 Ca 0.00 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 55.89 3fwu s SER 53 Cb 0.00 0.65 0.67 0.00 0.10 0.00 0.00 66.02 67.44 3fwu s SER 53 CO 0.00 -1.22 1.58 0.35 0.98 0.00 0.00 173.24 174.93 3fwu n THR 54 N -0.41 1.69 -1.21 2.02 -2.24 -1.26 -1.54 114.28 111.33 3fwu n THR 54 Ca -0.04 -1.20 -0.33 0.00 -2.27 0.00 0.00 64.05 60.21 3fwu n THR 54 Cb 0.61 0.19 0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3fwu n THR 54 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fwu s ASP 55 N -0.99 3.78 -0.14 3.42 1.01 -1.26 -4.81 116.67 117.68 3fwu s ASP 55 Ca 0.49 2.34 -0.42 0.00 0.71 0.00 0.00 52.55 55.67 3fwu s ASP 55 Cb 0.31 -2.59 -0.20 0.00 1.01 0.00 0.00 42.92 41.45 3fwu s ASP 55 CO 0.24 -2.54 1.26 -2.65 0.21 0.00 0.00 175.17 171.70 3fwu n PRO 56 N -3.16 0.13 -3.69 8.23 -0.02 -1.26 -4.94 135.00 130.29 3fwu n PRO 56 Ca 0.13 0.05 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 3fwu n PRO 56 Cb 0.51 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 3fwu n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fwu s VAL 57 N 0.99 0.05 0.02 -1.45 0.11 -1.26 -4.65 120.40 114.21 3fwu s VAL 57 Ca 0.95 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 59.61 3fwu s VAL 57 Cb -1.30 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 3fwu s VAL 57 CO 0.63 -0.22 -0.07 0.00 -3.33 0.00 0.00 175.10 172.12 3fwu s ALA 58 N -1.79 0.50 -0.13 1.54 0.00 -0.10 -1.99 121.76 119.79 3fwu s ALA 58 Ca -0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 3fwu s ALA 58 Cb -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.09 3fwu s ALA 58 CO 0.02 0.05 -0.06 0.00 0.00 0.00 0.00 175.76 175.77 3fwu s VAL 60 N 1.71 3.81 -0.15 0.00 1.01 -0.01 -1.14 120.40 125.63 3fwu s VAL 60 Ca 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 3fwu s VAL 60 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3fwu s VAL 60 CO -0.08 0.49 -0.03 -0.13 0.00 0.00 0.00 175.10 175.35 3fwu s ARG 61 N 0.46 3.58 -0.16 2.72 0.52 0.03 -0.16 118.95 125.95 3fwu s ARG 61 Ca -0.04 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 3fwu s ARG 61 Cb -0.14 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.43 3fwu s ARG 61 CO 0.03 0.30 -0.16 0.08 0.02 0.00 0.00 175.30 175.57 3fwu s VAL 62 N 0.20 2.55 -0.15 3.52 1.01 0.52 -1.01 120.40 127.05 3fwu s VAL 62 Ca -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3fwu s VAL 62 Cb -0.14 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3fwu s VAL 62 CO 0.03 0.52 -0.19 -1.61 0.00 0.00 0.00 175.10 173.84 3fwu s GLU 63 N 0.86 2.81 -0.04 2.72 2.02 0.37 -0.37 118.70 127.08 3fwu s GLU 63 Ca -0.05 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 3fwu s GLU 63 Cb -0.15 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.74 3fwu s GLU 63 CO -0.01 -0.12 0.03 0.00 0.02 0.00 0.00 175.26 175.18 3fwu s ALA 64 N 1.09 0.30 0.21 5.21 0.00 -0.89 -0.56 121.76 127.12 3fwu s ALA 64 Ca -0.01 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 3fwu s ALA 64 Cb -0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.36 3fwu s ALA 64 CO -0.07 -0.32 1.67 -1.17 0.00 0.00 0.00 175.76 175.88 3fwu s LEU 65 N 1.66 4.37 0.00 0.00 2.96 -1.26 -1.94 118.68 124.47 3fwu s LEU 65 Ca -0.01 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 3fwu s LEU 65 Cb -0.13 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3fwu s LEU 65 CO -0.03 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 174.68 3fwu n GLY 66 N 3.72 0.81 7.00 7.98 0.00 -1.26 -4.96 105.19 118.47 3fwu n GLY 66 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3fwu n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwu n GLY 67 N -2.20 -0.35 3.09 -0.02 0.00 -0.82 -4.93 105.19 99.95 3fwu n GLY 67 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 3fwu n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fwu s TYR 68 N 0.00 0.83 0.94 1.61 1.51 -1.26 -4.89 117.35 116.08 3fwu s TYR 68 Ca 0.00 -0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 3fwu s TYR 68 Cb 0.00 -0.49 0.15 0.00 -0.11 0.00 0.00 41.96 41.52 3fwu s TYR 68 CO 0.00 -0.04 1.10 0.20 -1.11 0.00 0.00 175.55 175.70 3fwu s GLY 69 N -1.52 1.63 0.29 0.71 0.00 -1.26 -4.95 107.32 102.22 3fwu s GLY 69 Ca -0.07 0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 3fwu s GLY 69 CO 0.01 0.66 1.91 -2.55 0.00 0.00 0.00 173.10 173.13 3fwu h PRO 70 N -1.80 1.01 -0.05 2.90 0.11 -2.02 -2.82 132.00 129.34 3fwu h PRO 70 Ca -0.49 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3fwu h PRO 70 Cb 1.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fwu h PRO 70 CO 0.49 0.74 0.00 -1.13 -0.21 0.00 0.00 178.00 177.90 3fwu n SER 71 N -4.36 2.93 -0.02 -2.05 3.41 -1.26 -4.63 113.62 107.63 3fwu n SER 71 Ca 0.07 -1.97 -0.12 0.00 -0.26 0.00 0.00 58.87 56.59 3fwu n SER 71 Cb 0.10 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 3fwu n SER 71 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fwu h GLU 72 N 4.55 0.12 -0.98 4.33 5.08 -1.85 -3.08 114.58 122.76 3fwu h GLU 72 Ca 0.00 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3fwu h GLU 72 Cb 0.97 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 3fwu h GLU 72 CO 0.00 0.44 0.64 -1.35 -1.00 0.00 0.00 179.01 177.74 3fwu h PRO 73 N -0.21 1.22 -0.87 2.33 0.11 -1.82 -0.80 132.00 131.96 3fwu h PRO 73 Ca 0.02 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3fwu h PRO 73 Cb 0.39 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 3fwu h PRO 73 CO 0.01 0.81 0.55 1.05 -0.21 0.00 0.00 178.00 180.20 3fwu h GLU 74 N 1.26 1.17 -0.10 1.05 4.11 -1.87 -0.05 114.58 120.15 3fwu h GLU 74 Ca 0.38 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.71 3fwu h GLU 74 Cb -0.04 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 3fwu h GLU 74 CO -0.11 0.80 0.02 0.87 0.07 0.00 0.00 179.01 180.67 3fwu h LYS 75 N 1.19 0.16 -0.39 1.06 1.57 -1.34 -1.37 116.57 117.45 3fwu h LYS 75 Ca 0.32 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 3fwu h LYS 75 Cb -0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3fwu h LYS 75 CO -0.06 0.35 0.18 0.28 -0.57 0.00 0.00 179.45 179.62 3fwu h VAL 76 N -0.06 0.95 -0.72 0.50 2.07 -0.95 -1.41 116.25 116.63 3fwu h VAL 76 Ca 0.03 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3fwu h VAL 76 Cb 0.26 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3fwu h VAL 76 CO 0.00 0.07 0.47 0.74 0.02 0.00 0.00 177.57 178.87 3fwu h THR 77 N 0.37 1.19 -0.21 2.57 2.02 -0.91 0.12 112.91 118.06 3fwu h THR 77 Ca 0.17 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3fwu h THR 77 Cb 0.10 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3fwu h THR 77 CO -0.14 0.19 0.13 -1.28 0.37 0.00 0.00 175.52 174.79 3fwu h SER 78 N 0.98 0.25 -0.10 4.18 0.87 -0.86 -1.50 113.55 117.38 3fwu h SER 78 Ca 0.26 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3fwu h SER 78 Cb -0.09 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3fwu h SER 78 CO -0.05 0.21 -0.12 0.40 -0.53 0.00 0.00 176.83 176.74 3fwu h ILE 79 N 0.27 1.37 -0.60 2.23 2.04 -0.97 -2.58 117.51 119.27 3fwu h ILE 79 Ca 0.08 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 3fwu h ILE 79 Cb 0.00 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3fwu h ILE 79 CO -0.02 0.37 0.32 0.58 0.00 0.00 0.00 178.15 179.41 3fwu h VAL 80 N -0.17 1.20 0.63 1.67 2.07 -0.83 -1.12 116.25 119.70 3fwu h VAL 80 Ca 0.01 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3fwu h VAL 80 Cb 0.65 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3fwu h VAL 80 CO 0.03 0.21 -0.30 0.74 0.02 0.00 0.00 177.57 178.27 3fwu h THR 81 N 0.81 0.38 -0.92 2.57 2.02 -1.30 -0.49 112.91 115.97 3fwu h THR 81 Ca 0.21 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.51 3fwu h THR 81 Cb 0.05 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 66.75 3fwu h THR 81 CO -0.03 0.00 0.53 0.00 0.37 0.00 0.00 175.52 176.39 3fwu h ALA 82 N -0.48 1.41 -0.58 6.16 0.00 -1.45 0.24 119.26 124.54 3fwu h ALA 82 Ca -0.09 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3fwu h ALA 82 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3fwu h ALA 82 CO 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.40 3fwu h ALA 83 N 1.55 0.84 -0.48 0.00 0.00 -0.88 0.16 119.26 120.45 3fwu h ALA 83 Ca 0.49 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3fwu h ALA 83 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3fwu h ALA 83 CO -0.32 0.67 -0.23 0.82 0.00 0.00 0.00 179.25 180.19 3fwu h ILE 84 N 0.95 1.27 -0.28 0.00 1.08 -0.53 -0.06 117.51 119.93 3fwu h ILE 84 Ca 0.16 -1.39 -0.01 0.00 -0.39 0.00 0.00 64.86 63.23 3fwu h ILE 84 Cb 0.59 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 3fwu h ILE 84 CO 0.04 0.48 0.15 0.74 -0.69 0.00 0.00 178.15 178.87 3fwu h THR 85 N 0.86 1.13 0.52 -0.27 2.02 -0.74 -0.40 112.91 116.03 3fwu h THR 85 Ca 0.11 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3fwu h THR 85 Cb 0.81 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3fwu h THR 85 CO 0.07 0.13 -0.48 0.50 0.37 0.00 0.00 175.52 176.11 3fwu h LYS 86 N 0.34 -0.95 -0.12 6.66 3.64 -0.57 -0.76 116.57 124.81 3fwu h LYS 86 Ca 0.10 0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.35 3fwu h LYS 86 Cb 0.07 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3fwu h LYS 86 CO -0.02 -0.63 -0.73 0.93 -2.27 0.00 0.00 179.45 176.73 3fwu h GLU 87 N -0.99 0.58 0.00 1.90 4.39 -1.02 -3.36 114.58 116.08 3fwu h GLU 87 Ca -0.07 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3fwu h GLU 87 Cb 0.84 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3fwu h GLU 87 CO -0.04 1.09 -1.49 0.00 -1.16 0.00 0.00 179.01 177.41 3fwu n GLY 89 N 1.57 0.55 3.70 0.00 0.00 -0.29 -5.01 105.19 105.71 3fwu n GLY 89 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3fwu n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwu s ILE 90 N -2.30 4.32 0.45 -0.61 1.01 -1.25 -4.99 121.20 117.83 3fwu s ILE 90 Ca 0.00 1.65 -0.23 0.00 0.00 0.00 0.00 60.65 62.07 3fwu s ILE 90 Cb 0.00 -4.06 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 3fwu s ILE 90 CO 0.00 0.04 1.17 0.68 0.00 0.00 0.00 174.94 176.83 3fwu s VAL 91 N 1.80 3.10 0.44 2.92 -7.23 -1.26 -3.75 120.40 116.41 3fwu s VAL 91 Ca 0.55 0.84 0.18 0.00 -1.81 0.00 0.00 61.98 61.74 3fwu s VAL 91 Cb -0.25 -3.43 0.38 0.00 0.56 0.00 0.00 36.38 33.64 3fwu s VAL 91 CO 0.24 -0.00 1.89 0.00 -0.31 0.00 0.00 175.10 176.92 3fwu h ALA 92 N 2.11 2.23 -0.11 1.32 0.00 -1.95 0.14 119.26 123.00 3fwu h ALA 92 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fwu h ALA 92 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fwu h ALA 92 CO 0.60 -0.48 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 3fwu n ASP 93 N -4.47 0.66 -1.00 0.00 5.75 -1.26 -2.26 116.55 113.97 3fwu n ASP 93 Ca 0.17 -1.87 0.01 0.00 -0.01 0.00 0.00 54.79 53.09 3fwu n ASP 93 Cb 0.65 -0.07 0.15 0.00 -1.03 0.00 0.00 41.12 40.82 3fwu n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fwu n ARG 94 N -0.20 1.66 -4.04 0.11 1.74 0.50 -5.01 116.66 111.43 3fwu n ARG 94 Ca 0.07 -3.26 -0.27 0.00 -0.77 0.00 0.00 57.85 53.63 3fwu n ARG 94 Cb 0.12 -1.49 -0.17 0.00 -1.02 0.00 0.00 32.46 29.91 3fwu n ARG 94 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fwu s ILE 95 N -3.00 1.08 0.06 0.55 1.01 -0.96 -0.93 121.20 119.02 3fwu s ILE 95 Ca 0.39 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3fwu s ILE 95 Cb 0.38 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 3fwu s ILE 95 CO -0.07 0.37 0.04 -0.36 0.00 0.00 0.00 174.94 174.92 3fwu s PHE 96 N 1.49 3.11 -0.13 3.97 0.40 -0.40 -4.99 117.98 121.43 3fwu s PHE 96 Ca 0.01 0.05 -0.02 0.00 -0.60 0.00 0.00 56.93 56.38 3fwu s PHE 96 Cb -0.13 -1.61 0.04 0.00 0.51 0.00 0.00 43.02 41.83 3fwu s PHE 96 CO -0.06 0.50 0.01 0.08 0.70 0.00 0.00 175.22 176.45 3fwu s VAL 97 N -1.29 0.49 -0.04 -0.44 1.01 -1.26 -0.83 120.40 118.04 3fwu s VAL 97 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3fwu s VAL 97 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3fwu s VAL 97 CO 0.18 0.06 0.03 -0.76 0.00 0.00 0.00 175.10 174.61 3fwu s LEU 98 N 1.90 3.67 -0.14 3.92 1.02 0.78 -4.98 118.68 124.85 3fwu s LEU 98 Ca 0.02 0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.30 3fwu s LEU 98 Cb -0.14 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.07 3fwu s LEU 98 CO -0.07 0.32 -0.19 -0.31 0.02 0.00 0.00 176.35 176.13 3fwu s TYR 99 N -1.03 2.70 0.33 0.29 1.51 -1.26 -0.36 117.35 119.54 3fwu s TYR 99 Ca 0.17 -1.08 0.03 0.00 -1.01 0.00 0.00 57.07 55.18 3fwu s TYR 99 Cb -0.12 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 3fwu s TYR 99 CO 0.07 -0.47 0.08 -0.06 -1.11 0.00 0.00 175.55 174.07 3fwu s PHE 100 N 0.66 1.84 -0.05 2.71 0.40 0.50 -4.98 117.98 119.05 3fwu s PHE 100 Ca -0.09 -1.08 -0.02 0.00 -0.60 0.00 0.00 56.93 55.13 3fwu s PHE 100 Cb -0.16 -1.18 0.04 0.00 0.51 0.00 0.00 43.02 42.23 3fwu s PHE 100 CO 0.02 -0.13 0.09 -1.54 0.70 0.00 0.00 175.22 174.36 3fwu s SER 101 N -3.48 0.63 0.82 1.36 1.04 -1.26 -2.10 113.70 110.71 3fwu s SER 101 Ca 0.34 0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.83 3fwu s SER 101 Cb 0.07 0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.31 3fwu s SER 101 CO 0.15 -0.21 1.09 -2.16 0.98 0.00 0.00 173.24 173.09 3fwu s PRO 102 N 1.83 1.91 0.09 4.02 0.04 -1.26 -4.95 135.00 136.68 3fwu s PRO 102 Ca -0.00 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 3fwu s PRO 102 Cb -0.12 -1.88 -0.19 0.00 0.04 0.00 0.00 34.50 32.35 3fwu s PRO 102 CO -0.04 -1.79 1.24 -0.07 0.04 0.00 0.00 177.00 176.38 3fwu h LEU 103 N -1.22 0.87 -8.01 -3.56 -0.00 -2.01 -3.42 115.31 97.97 3fwu h LEU 103 Ca -0.47 -0.66 -0.13 0.00 -0.00 0.00 0.00 57.88 56.62 3fwu h LEU 103 Cb 1.26 -0.26 -0.17 0.00 -0.00 0.00 0.00 40.66 41.49 3fwu h LEU 103 CO 0.56 1.46 -0.58 -1.00 -0.00 0.00 0.00 178.44 178.87 3fwu s HIS 104 N -3.44 0.30 -0.04 1.13 3.76 -1.26 -5.00 115.29 110.75 3fwu s HIS 104 Ca -0.09 -0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 54.12 3fwu s HIS 104 Cb 0.08 -0.22 0.03 0.00 1.11 0.00 0.00 32.58 33.58 3fwu s HIS 104 CO 0.91 -0.36 0.07 0.00 -0.85 0.00 0.00 174.74 174.51 3fwu s GLY 106 N 1.39 1.91 -0.11 0.00 0.00 -1.26 -0.12 107.32 109.13 3fwu s GLY 106 Ca -0.06 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 3fwu s GLY 106 CO -0.04 -0.58 0.31 0.86 0.00 0.00 0.00 173.10 173.65 3fwu s TRP 107 N -0.95 -0.33 -1.45 1.90 -0.00 0.29 -4.90 118.94 113.50 3fwu s TRP 107 Ca 0.15 0.81 -0.08 0.00 -0.00 0.00 0.00 56.10 56.98 3fwu s TRP 107 Cb -0.11 0.12 0.02 0.00 -0.00 0.00 0.00 33.47 33.50 3fwu s TRP 107 CO 0.04 -0.17 0.94 -1.71 -0.00 0.00 0.00 176.95 176.05 3fwu n ASN 108 N 2.85 -5.92 0.00 5.86 5.15 -1.26 -1.97 115.26 119.97 3fwu n ASN 108 Ca -0.13 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 3fwu n ASN 108 Cb 0.58 -4.72 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 3fwu n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fwu n GLY 109 N -1.77 1.17 3.23 8.20 0.00 -1.26 -5.00 105.19 109.76 3fwu n GLY 109 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3fwu n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fwu s THR 110 N -3.18 1.44 0.19 2.61 -4.23 -0.83 -5.10 115.64 106.54 3fwu s THR 110 Ca 0.00 -1.45 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 3fwu s THR 110 Cb 0.00 -1.34 -0.07 0.00 1.34 0.00 0.00 72.50 72.43 3fwu s THR 110 CO 0.00 -0.15 0.54 0.20 -0.54 0.00 0.00 174.62 174.67 3fwu s ASN 111 N -1.86 6.70 0.00 3.99 0.02 -1.26 -0.54 114.94 121.99 3fwu s ASN 111 Ca 0.03 0.97 0.00 0.00 -1.02 0.00 0.00 52.86 52.84 3fwu s ASN 111 Cb -0.10 -2.25 0.00 0.00 0.02 0.00 0.00 41.25 38.93 3fwu s ASN 111 CO 0.03 0.01 0.48 0.49 0.02 0.00 0.00 177.10 178.13