#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fw5 s SER 5 N 0.00 -0.77 -0.19 8.00 0.15 -1.26 -5.15 113.70 114.47 3fw5 s SER 5 Ca 0.00 1.29 0.01 0.00 0.70 0.00 0.00 55.95 57.96 3fw5 s SER 5 Cb 0.00 1.32 0.03 0.00 -1.71 0.00 0.00 66.02 65.66 3fw5 s SER 5 CO 0.00 -0.21 -0.18 -1.81 1.20 0.00 0.00 173.24 172.24 3fw5 s ASP 6 N 1.25 3.37 0.04 5.45 -0.00 -1.26 -5.12 116.67 120.40 3fw5 s ASP 6 Ca -0.07 -0.79 0.08 0.00 -0.00 0.00 0.00 52.55 51.76 3fw5 s ASP 6 Cb -0.05 -1.47 -0.03 0.00 -0.00 0.00 0.00 42.92 41.37 3fw5 s ASP 6 CO -0.14 -0.04 -0.22 -0.76 -0.00 0.00 0.00 175.17 174.01 3fw5 s LEU 7 N 1.26 2.16 0.16 1.23 1.43 -1.26 -5.08 118.68 118.58 3fw5 s LEU 7 Ca 0.02 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.29 3fw5 s LEU 7 Cb -0.14 -1.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 3fw5 s LEU 7 CO -0.11 0.19 1.42 -0.63 0.23 0.00 0.00 176.35 177.44 3fw5 s ILE 8 N -0.78 3.04 0.58 -0.59 1.01 -1.26 -4.96 121.20 118.23 3fw5 s ILE 8 Ca 0.08 0.78 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 3fw5 s ILE 8 Cb -0.09 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3fw5 s ILE 8 CO 0.02 0.08 1.21 -2.84 0.00 0.00 0.00 174.94 173.41 3fw5 s PRO 9 N 0.65 3.04 0.30 2.79 0.02 -1.26 -4.83 135.00 135.71 3fw5 s PRO 9 Ca 0.63 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 63.20 3fw5 s PRO 9 Cb -0.39 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.06 3fw5 s PRO 9 CO 0.34 -1.15 1.27 0.00 -0.33 0.00 0.00 177.00 177.13 3fw5 s ALA 10 N -1.58 3.49 0.67 -1.55 0.00 -1.26 -4.97 121.76 116.55 3fw5 s ALA 10 Ca 0.76 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.75 3fw5 s ALA 10 Cb -0.30 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3fw5 s ALA 10 CO 0.33 -0.54 1.09 -1.25 0.00 0.00 0.00 175.76 175.40 3fw5 s PRO 11 N -1.39 2.83 0.46 0.00 0.04 -1.26 -5.00 135.00 130.67 3fw5 s PRO 11 Ca 0.50 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 3fw5 s PRO 11 Cb -0.38 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 3fw5 s PRO 11 CO 0.48 -1.21 1.17 -1.25 0.04 0.00 0.00 177.00 176.23 3fw5 s PRO 12 N -4.31 3.74 0.61 0.56 0.04 -1.26 -4.91 135.00 129.47 3fw5 s PRO 12 Ca 0.64 1.79 0.31 0.00 0.04 0.00 0.00 61.00 63.79 3fw5 s PRO 12 Cb -0.18 -2.40 1.76 0.00 0.04 0.00 0.00 34.50 33.71 3fw5 s PRO 12 CO 0.44 -0.58 2.12 -0.07 0.04 0.00 0.00 177.00 178.96 3fw5 h LEU 13 N 2.03 0.00 -1.90 -3.56 4.07 -1.94 -0.52 115.31 113.49 3fw5 h LEU 13 Ca -0.49 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.57 3fw5 h LEU 13 Cb 1.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.97 3fw5 h LEU 13 CO 0.60 0.00 0.29 0.77 -1.08 0.00 0.00 178.44 179.02 3fw5 h SER 14 N 0.00 0.10 0.42 -0.43 4.64 -2.03 -1.75 113.55 114.50 3fw5 h SER 14 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3fw5 h SER 14 Cb 0.42 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3fw5 h SER 14 CO -0.00 0.06 -0.15 0.29 -0.87 0.00 0.00 176.83 176.16 3fw5 n LYS 15 N -4.44 0.58 -3.65 4.77 5.02 -0.20 -4.72 118.16 115.52 3fw5 n LYS 15 Ca 0.07 -0.21 -0.40 0.00 -2.02 0.00 0.00 58.31 55.75 3fw5 n LYS 15 Cb 0.41 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 3fw5 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fw5 s VAL 16 N -2.57 4.17 0.85 -0.18 1.01 -0.66 -4.97 120.40 118.06 3fw5 s VAL 16 Ca 0.26 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 3fw5 s VAL 16 Cb 0.20 -3.45 0.11 0.00 0.00 0.00 0.00 36.38 33.24 3fw5 s VAL 16 CO 0.50 -0.34 1.11 -2.84 0.00 0.00 0.00 175.10 173.53 3fw5 s PRO 17 N 1.45 1.58 -0.08 2.72 0.02 -1.26 -4.98 135.00 134.45 3fw5 s PRO 17 Ca 0.01 1.23 0.03 0.00 0.02 0.00 0.00 61.00 62.30 3fw5 s PRO 17 Cb -0.21 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 3fw5 s PRO 17 CO 0.03 -2.14 -0.17 -1.17 -0.33 0.00 0.00 177.00 173.22 3fw5 s LEU 18 N -6.24 2.54 -0.05 -5.54 2.96 -1.26 -4.15 118.68 106.94 3fw5 s LEU 18 Ca 0.64 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 3fw5 s LEU 18 Cb -0.19 -1.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.91 3fw5 s LEU 18 CO 0.57 0.26 1.85 -1.58 -1.32 0.00 0.00 176.35 176.13 3fw5 s GLN 19 N -0.26 4.00 0.37 1.98 2.00 0.34 -4.91 119.66 123.17 3fw5 s GLN 19 Ca 0.01 2.29 -0.27 0.00 -2.00 0.00 0.00 55.36 55.39 3fw5 s GLN 19 Cb -0.13 -4.11 -0.09 0.00 0.80 0.00 0.00 33.01 29.48 3fw5 s GLN 19 CO 0.03 -1.09 1.21 1.14 -0.50 0.00 0.00 175.29 176.08 3fw5 s GLN 20 N 4.56 4.20 -1.18 1.67 -2.07 -1.26 -3.78 119.66 121.79 3fw5 s GLN 20 Ca 0.83 1.96 -0.08 0.00 -1.82 0.00 0.00 55.36 56.25 3fw5 s GLN 20 Cb -0.36 -2.86 -0.02 0.00 -1.09 0.00 0.00 33.01 28.68 3fw5 s GLN 20 CO 0.35 -0.23 0.80 0.09 -1.32 0.00 0.00 175.29 174.99 3fw5 n ASN 21 N 0.42 -3.82 -4.68 12.60 5.03 -1.26 -4.87 115.26 118.67 3fw5 n ASN 21 Ca 0.02 -0.84 -0.42 0.00 0.87 0.00 0.00 54.58 54.22 3fw5 n ASN 21 Cb 0.45 -4.23 -0.03 0.00 -1.02 0.00 0.00 39.78 34.95 3fw5 n ASN 21 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3fw5 s PHE 22 N -3.52 2.57 -0.46 3.10 2.19 -1.25 -4.98 117.98 115.63 3fw5 s PHE 22 Ca 0.26 0.58 -0.14 0.00 0.33 0.00 0.00 56.93 57.97 3fw5 s PHE 22 Cb -0.06 -3.77 0.08 0.00 -1.31 0.00 0.00 43.02 37.95 3fw5 s PHE 22 CO 0.80 -3.01 0.36 -0.65 1.83 0.00 0.00 175.22 174.55 3fw5 s GLN 23 N 2.89 2.86 0.25 10.12 -1.52 -1.26 -4.81 119.66 128.19 3fw5 s GLN 23 Ca 0.67 -1.40 -0.03 0.00 -1.95 0.00 0.00 55.36 52.65 3fw5 s GLN 23 Cb -0.33 -4.03 0.28 0.00 -0.22 0.00 0.00 33.01 28.71 3fw5 s GLN 23 CO 0.28 -1.02 1.74 0.38 -0.25 0.00 0.00 175.29 176.42 3fw5 h ASP 24 N 8.65 0.81 0.22 5.90 2.03 -2.00 -2.80 116.42 129.24 3fw5 h ASP 24 Ca -0.27 -0.20 -0.07 0.00 -0.73 0.00 0.00 57.03 55.76 3fw5 h ASP 24 Cb 1.10 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.37 3fw5 h ASP 24 CO 0.85 0.88 -0.30 -0.55 -1.03 0.00 0.00 179.24 179.09 3fw5 h ASN 25 N 0.79 0.12 1.98 4.15 -1.07 -1.99 -2.92 115.58 116.63 3fw5 h ASN 25 Ca 0.15 -0.04 -0.00 0.00 0.07 0.00 0.00 56.30 56.48 3fw5 h ASN 25 Cb 0.47 -0.03 -0.00 0.00 -2.07 0.00 0.00 38.32 36.69 3fw5 h ASN 25 CO 0.02 0.42 -0.01 1.56 0.07 0.00 0.00 177.43 179.49 3fw5 h GLN 26 N 0.11 0.00 -0.00 4.14 4.20 -1.93 -3.21 115.11 118.42 3fw5 h GLN 26 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3fw5 h GLN 26 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3fw5 h GLN 26 CO 0.04 0.01 -0.13 0.34 -0.67 0.00 0.00 178.83 178.43 3fw5 n PHE 27 N -3.10 0.00 -1.06 2.96 -0.00 -1.11 -4.83 117.46 110.32 3fw5 n PHE 27 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.16 3fw5 n PHE 27 Cb 0.53 -0.43 0.13 0.00 -0.00 0.00 0.00 39.48 39.72 3fw5 n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3fw5 s GLN 28 N -2.98 1.58 0.00 -4.13 -0.21 -1.22 -4.78 119.66 107.92 3fw5 s GLN 28 Ca 0.14 1.66 0.00 0.00 0.02 0.00 0.00 55.36 57.17 3fw5 s GLN 28 Cb 0.19 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.42 3fw5 s GLN 28 CO 0.57 -2.23 0.00 0.41 -2.12 0.00 0.00 175.29 171.92 3fw5 n GLY 29 N 0.27 -0.88 3.74 3.09 0.00 0.10 -4.90 105.19 106.62 3fw5 n GLY 29 Ca 0.13 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 3fw5 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fw5 s LYS 30 N 0.00 4.51 -0.04 1.61 2.20 -1.26 -1.08 119.74 125.67 3fw5 s LYS 30 Ca 0.00 1.09 0.06 0.00 -0.36 0.00 0.00 55.97 56.76 3fw5 s LYS 30 Cb 0.00 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 3fw5 s LYS 30 CO 0.00 0.24 -0.21 -1.58 -0.36 0.00 0.00 175.35 173.44 3fw5 s TRP 31 N 0.09 2.04 0.08 4.03 0.52 -0.21 -4.80 118.94 120.69 3fw5 s TRP 31 Ca 0.40 -0.53 -0.19 0.00 0.02 0.00 0.00 56.10 55.79 3fw5 s TRP 31 Cb -0.20 -1.34 -0.07 0.00 -1.15 0.00 0.00 33.47 30.71 3fw5 s TRP 31 CO 0.23 -0.14 0.58 0.71 0.02 0.00 0.00 176.95 178.36 3fw5 s TYR 32 N -0.21 3.80 -0.80 -1.98 2.02 0.13 -0.96 117.35 119.36 3fw5 s TYR 32 Ca 0.00 1.29 -0.22 0.00 -0.37 0.00 0.00 57.07 57.78 3fw5 s TYR 32 Cb -0.11 -2.51 0.09 0.00 -0.40 0.00 0.00 41.96 39.02 3fw5 s TYR 32 CO 0.02 0.57 1.09 0.08 -1.57 0.00 0.00 175.55 175.74 3fw5 s VAL 33 N -1.13 4.38 -0.23 0.71 1.01 -0.57 0.21 120.40 124.78 3fw5 s VAL 33 Ca 0.30 -0.78 0.22 0.00 0.00 0.00 0.00 61.98 61.73 3fw5 s VAL 33 Cb -0.19 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.36 3fw5 s VAL 33 CO 0.19 -1.55 0.97 1.33 0.00 0.00 0.00 175.10 176.05 3fw5 n VAL 34 N 5.91 0.51 -3.87 2.92 0.24 -0.38 -4.46 118.33 119.21 3fw5 n VAL 34 Ca 0.10 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 3fw5 n VAL 34 Cb 0.47 -0.27 -0.14 0.00 -1.47 0.00 0.00 33.84 32.44 3fw5 n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fw5 s GLY 35 N -4.34 -0.01 -0.04 7.63 0.00 -0.99 -3.71 107.32 105.87 3fw5 s GLY 35 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.78 3fw5 s GLY 35 CO 0.81 0.03 -0.12 1.08 0.00 0.00 0.00 173.10 174.90 3fw5 s LEU 36 N -0.01 1.77 -0.02 0.66 1.43 0.13 -0.46 118.68 122.17 3fw5 s LEU 36 Ca -0.00 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 3fw5 s LEU 36 Cb -0.00 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.51 3fw5 s LEU 36 CO 0.00 0.08 0.15 0.00 0.23 0.00 0.00 176.35 176.81 3fw5 s ALA 37 N 0.27 -0.37 0.00 4.21 0.00 -0.45 0.98 121.76 126.41 3fw5 s ALA 37 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3fw5 s ALA 37 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3fw5 s ALA 37 CO 0.02 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3fw5 n GLY 38 N 2.08 0.95 0.13 0.00 0.00 -0.91 0.24 105.19 107.68 3fw5 n GLY 38 Ca -0.19 -1.00 0.13 0.00 0.00 0.00 0.00 46.02 44.96 3fw5 n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3fw5 h ASN 39 N 0.00 0.00 -0.12 1.61 -1.07 -1.82 -2.60 115.58 111.59 3fw5 h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3fw5 h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3fw5 h ASN 39 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 3fw5 n ALA 40 N -1.81 2.43 -2.72 4.14 0.00 -1.26 -4.61 120.51 116.68 3fw5 n ALA 40 Ca 0.03 -0.75 -0.37 0.00 0.00 0.00 0.00 53.44 52.36 3fw5 n ALA 40 Cb 0.32 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 3fw5 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fw5 s ILE 41 N -1.24 5.24 -0.03 0.00 -1.09 -0.98 -5.08 121.20 118.02 3fw5 s ILE 41 Ca 0.21 0.77 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 3fw5 s ILE 41 Cb 0.14 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3fw5 s ILE 41 CO 0.20 0.36 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.42 3fw5 s LEU 42 N 0.52 1.74 0.41 2.97 2.01 -1.26 -4.31 118.68 120.76 3fw5 s LEU 42 Ca 0.22 -0.20 -0.27 0.00 0.01 0.00 0.00 54.13 53.89 3fw5 s LEU 42 Cb -0.14 -0.59 -0.10 0.00 0.01 0.00 0.00 46.19 45.37 3fw5 s LEU 42 CO 0.07 0.06 1.46 -0.60 1.01 0.00 0.00 176.35 178.35 3fw5 s ARG 43 N 0.28 3.93 -0.37 1.70 3.52 -0.27 -5.00 118.95 122.74 3fw5 s ARG 43 Ca -0.05 2.50 0.03 0.00 -0.13 0.00 0.00 55.73 58.09 3fw5 s ARG 43 Cb -0.10 -2.83 0.16 0.00 -1.56 0.00 0.00 34.95 30.62 3fw5 s ARG 43 CO 0.01 -0.65 0.40 -2.00 -0.81 0.00 0.00 175.30 172.24 3fw5 s GLU 44 N -2.25 0.64 0.46 5.12 2.12 -1.26 -5.01 118.70 118.52 3fw5 s GLU 44 Ca 0.56 -0.77 0.26 0.00 0.36 0.00 0.00 54.97 55.39 3fw5 s GLU 44 Cb -0.45 -0.65 0.85 0.00 0.26 0.00 0.00 34.13 34.14 3fw5 s GLU 44 CO 0.60 -1.19 1.79 -0.44 -0.54 0.00 0.00 175.26 175.49 3fw5 h ASP 45 N 7.12 0.00 -0.09 -1.70 3.32 -1.98 -1.69 116.42 121.40 3fw5 h ASP 45 Ca 0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3fw5 h ASP 45 Cb 1.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 3fw5 h ASP 45 CO 0.20 0.12 -0.01 0.11 -1.72 0.00 0.00 179.24 177.94 3fw5 h LYS 46 N 0.00 0.16 -2.62 3.56 1.79 -2.03 -3.38 116.57 114.05 3fw5 h LYS 46 Ca -0.00 -0.06 -0.60 0.00 -2.18 0.00 0.00 60.65 57.81 3fw5 h LYS 46 Cb 0.79 -0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 31.03 3fw5 h LYS 46 CO 0.02 0.47 -0.83 -0.40 -1.08 0.00 0.00 179.45 177.62 3fw5 n ASP 47 N -4.80 0.86 -4.75 0.86 5.68 -1.18 -5.13 116.55 108.09 3fw5 n ASP 47 Ca -0.07 -2.70 -0.39 0.00 -0.50 0.00 0.00 54.79 51.14 3fw5 n ASP 47 Cb 0.22 -0.63 0.04 0.00 -1.14 0.00 0.00 41.12 39.61 3fw5 n ASP 47 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 3fw5 s PRO 48 N -0.56 3.23 0.18 0.11 0.04 -0.64 -4.81 135.00 132.54 3fw5 s PRO 48 Ca 0.30 2.25 -0.32 0.00 0.04 0.00 0.00 61.00 63.27 3fw5 s PRO 48 Cb 0.01 -2.31 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 3fw5 s PRO 48 CO -0.19 -1.13 1.71 -1.14 0.04 0.00 0.00 177.00 176.29 3fw5 s GLN 49 N -2.84 4.15 0.12 4.56 2.00 -1.26 -4.92 119.66 121.47 3fw5 s GLN 49 Ca 0.70 2.54 -0.21 0.00 -2.00 0.00 0.00 55.36 56.39 3fw5 s GLN 49 Cb -0.41 -3.20 -0.07 0.00 0.80 0.00 0.00 33.01 30.14 3fw5 s GLN 49 CO 0.49 -0.74 0.65 0.15 -0.50 0.00 0.00 175.29 175.34 3fw5 s LYS 50 N 1.48 4.32 0.35 1.67 1.02 -1.26 -1.41 119.74 125.91 3fw5 s LYS 50 Ca 0.75 0.88 -0.29 0.00 0.02 0.00 0.00 55.97 57.33 3fw5 s LYS 50 Cb -0.47 -3.19 -0.11 0.00 -0.52 0.00 0.00 37.83 33.53 3fw5 s LYS 50 CO 0.33 0.58 1.49 -0.12 -0.92 0.00 0.00 175.35 176.71 3fw5 n MET 51 N 1.52 2.61 -4.46 1.68 0.00 -0.26 -4.74 117.12 113.47 3fw5 n MET 51 Ca -0.08 0.92 -0.22 0.00 -0.00 0.00 0.00 57.70 58.32 3fw5 n MET 51 Cb 0.50 -2.64 -0.10 0.00 0.00 0.00 0.00 33.22 30.98 3fw5 n MET 51 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3fw5 s TYR 52 N -0.81 1.88 0.16 1.12 1.13 -1.26 -4.69 117.35 114.87 3fw5 s TYR 52 Ca 0.56 -1.05 0.07 0.00 -1.41 0.00 0.00 57.07 55.25 3fw5 s TYR 52 Cb -0.49 -1.23 -0.04 0.00 -1.10 0.00 0.00 41.96 39.10 3fw5 s TYR 52 CO 0.59 -0.09 -0.15 0.00 -2.51 0.00 0.00 175.55 173.39 3fw5 s ALA 53 N -3.32 1.78 -0.05 9.51 0.00 -0.96 -1.51 121.76 127.22 3fw5 s ALA 53 Ca 0.33 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3fw5 s ALA 53 Cb 0.07 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.11 3fw5 s ALA 53 CO 0.15 0.13 0.01 0.99 0.00 0.00 0.00 175.76 177.04 3fw5 s THR 54 N -2.34 0.21 -0.22 0.00 2.01 -0.13 -1.63 115.64 113.54 3fw5 s THR 54 Ca 0.15 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 3fw5 s THR 54 Cb -0.04 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 3fw5 s THR 54 CO 0.05 0.20 0.10 -0.63 -0.69 0.00 0.00 174.62 173.65 3fw5 s ILE 55 N 1.60 4.95 -0.28 1.82 1.09 0.13 -1.05 121.20 129.47 3fw5 s ILE 55 Ca -0.01 0.03 -0.08 0.00 -1.10 0.00 0.00 60.65 59.49 3fw5 s ILE 55 Cb -0.13 -3.28 -0.01 0.00 -1.06 0.00 0.00 42.46 37.98 3fw5 s ILE 55 CO -0.03 0.39 0.10 -0.31 -0.10 0.00 0.00 174.94 174.99 3fw5 s TYR 56 N 0.84 3.13 -0.15 3.97 2.02 -0.24 -1.65 117.35 125.27 3fw5 s TYR 56 Ca 0.05 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3fw5 s TYR 56 Cb -0.13 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.17 3fw5 s TYR 56 CO 0.02 -0.45 -0.16 -1.21 -1.57 0.00 0.00 175.55 172.18 3fw5 s GLU 57 N 1.58 2.48 0.11 -0.62 2.02 -0.94 0.02 118.70 123.35 3fw5 s GLU 57 Ca 0.05 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 3fw5 s GLU 57 Cb -0.16 -2.19 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 3fw5 s GLU 57 CO 0.04 -0.19 1.23 -0.51 0.02 0.00 0.00 175.26 175.85 3fw5 s LEU 58 N 1.32 4.40 0.83 1.80 1.43 -1.26 -0.25 118.68 126.95 3fw5 s LEU 58 Ca 0.02 2.14 -0.06 0.00 -1.03 0.00 0.00 54.13 55.20 3fw5 s LEU 58 Cb -0.13 -3.59 0.17 0.00 0.03 0.00 0.00 46.19 42.67 3fw5 s LEU 58 CO -0.09 -0.47 1.13 -0.54 0.23 0.00 0.00 176.35 176.61 3fw5 s LYS 59 N 0.63 1.16 0.29 1.70 1.02 0.37 -4.92 119.74 119.99 3fw5 s LYS 59 Ca 0.58 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 3fw5 s LYS 59 Cb -0.32 -2.16 0.43 0.00 -0.52 0.00 0.00 37.83 35.27 3fw5 s LYS 59 CO 0.32 -1.89 1.87 1.05 -0.92 0.00 0.00 175.35 175.78 3fw5 h GLU 60 N -0.98 0.88 -0.50 1.68 4.11 -1.97 -2.68 114.58 115.11 3fw5 h GLU 60 Ca -0.38 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3fw5 h GLU 60 Cb 1.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3fw5 h GLU 60 CO 0.36 0.72 0.00 -0.40 0.07 0.00 0.00 179.01 179.76 3fw5 n ASP 61 N -4.32 1.44 0.00 3.06 5.75 -1.26 -4.89 116.55 116.33 3fw5 n ASP 61 Ca 0.05 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 3fw5 n ASP 61 Cb 0.17 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3fw5 n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fw5 n LYS 62 N 0.06 -0.59 -2.23 0.11 4.01 -1.01 -5.00 118.16 113.51 3fw5 n LYS 62 Ca 0.06 0.15 -0.29 0.00 -0.51 0.00 0.00 58.31 57.71 3fw5 n LYS 62 Cb 0.29 -3.72 0.00 0.00 -0.51 0.00 0.00 35.03 31.09 3fw5 n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3fw5 s SER 63 N -2.19 6.26 -0.14 4.39 0.01 -1.26 -4.68 113.70 116.08 3fw5 s SER 63 Ca 0.00 1.21 -0.08 0.00 1.31 0.00 0.00 55.95 58.38 3fw5 s SER 63 Cb 0.00 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 3fw5 s SER 63 CO 0.00 -0.73 0.15 -0.31 0.41 0.00 0.00 173.24 172.76 3fw5 s TYR 64 N -2.96 3.54 -0.42 2.43 4.12 -0.62 -0.48 117.35 122.96 3fw5 s TYR 64 Ca 0.52 0.48 -0.20 0.00 0.02 0.00 0.00 57.07 57.88 3fw5 s TYR 64 Cb -0.11 -2.03 0.02 0.00 -1.52 0.00 0.00 41.96 38.33 3fw5 s TYR 64 CO 0.49 0.58 0.59 1.21 0.02 0.00 0.00 175.55 178.44 3fw5 s ASN 65 N -0.55 6.30 -0.38 2.29 2.47 0.66 -1.73 114.94 124.00 3fw5 s ASN 65 Ca 0.13 -0.34 -0.10 0.00 0.42 0.00 0.00 52.86 52.97 3fw5 s ASN 65 Cb -0.12 -2.30 0.05 0.00 -1.45 0.00 0.00 41.25 37.43 3fw5 s ASN 65 CO 0.02 -0.70 0.21 -0.69 -3.72 0.00 0.00 177.10 172.22 3fw5 s VAL 66 N 2.64 4.35 -0.19 -5.21 1.01 0.93 -2.22 120.40 121.71 3fw5 s VAL 66 Ca 0.20 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3fw5 s VAL 66 Cb -0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3fw5 s VAL 66 CO 0.17 -0.32 -0.07 -0.89 0.00 0.00 0.00 175.10 173.99 3fw5 s THR 67 N 1.49 3.30 0.04 3.92 2.01 -0.66 -1.00 115.64 124.74 3fw5 s THR 67 Ca 0.02 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.53 3fw5 s THR 67 Cb -0.20 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 3fw5 s THR 67 CO 0.05 0.46 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.87 3fw5 s SER 68 N 1.01 4.16 -0.03 3.53 0.01 -0.26 0.18 113.70 122.31 3fw5 s SER 68 Ca -0.00 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3fw5 s SER 68 Cb -0.15 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.28 3fw5 s SER 68 CO -0.00 0.25 -0.11 0.54 0.41 0.00 0.00 173.24 174.32 3fw5 s VAL 69 N -0.99 0.97 0.07 3.43 0.11 -0.64 -1.22 120.40 122.13 3fw5 s VAL 69 Ca 0.16 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 3fw5 s VAL 69 Cb -0.11 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3fw5 s VAL 69 CO 0.07 0.29 -0.07 -1.48 -3.33 0.00 0.00 175.10 170.58 3fw5 s LEU 70 N 0.12 2.38 -0.45 2.54 0.05 -0.65 -2.27 118.68 120.40 3fw5 s LEU 70 Ca -0.03 -0.78 -0.19 0.00 0.05 0.00 0.00 54.13 53.18 3fw5 s LEU 70 Cb -0.09 -0.12 0.03 0.00 -2.05 0.00 0.00 46.19 43.96 3fw5 s LEU 70 CO 0.01 -0.33 0.56 0.12 -0.55 0.00 0.00 176.35 176.15 3fw5 s PHE 71 N -2.50 3.10 -0.04 3.48 5.36 -1.26 -0.77 117.98 125.35 3fw5 s PHE 71 Ca 0.01 -0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 55.67 3fw5 s PHE 71 Cb -0.02 -3.21 0.03 0.00 -0.34 0.00 0.00 43.02 39.48 3fw5 s PHE 71 CO -0.02 -0.84 0.10 0.50 -1.46 0.00 0.00 175.22 173.50 3fw5 s ARG 72 N 2.50 0.05 -1.39 10.12 3.00 -0.08 -4.89 118.95 128.26 3fw5 s ARG 72 Ca 0.17 0.26 -0.08 0.00 -1.00 0.00 0.00 55.73 55.08 3fw5 s ARG 72 Cb -0.16 -0.15 0.03 0.00 0.00 0.00 0.00 34.95 34.67 3fw5 s ARG 72 CO 0.15 -0.13 1.00 1.63 0.00 0.00 0.00 175.30 177.95 3fw5 n LYS 73 N 3.95 -6.38 -1.09 5.12 5.02 -1.26 -1.77 118.16 121.74 3fw5 n LYS 73 Ca -0.24 0.71 -0.03 0.00 -2.02 0.00 0.00 58.31 56.73 3fw5 n LYS 73 Cb 0.53 -5.62 -0.01 0.00 -0.02 0.00 0.00 35.03 29.91 3fw5 n LYS 73 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fw5 n LYS 74 N -4.64 -1.25 -4.24 1.97 5.02 -1.26 -4.97 118.16 108.79 3fw5 n LYS 74 Ca -0.08 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.56 3fw5 n LYS 74 Cb 0.59 -4.51 -0.10 0.00 -0.02 0.00 0.00 35.03 30.99 3fw5 n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3fw5 s LYS 75 N -1.76 1.07 -0.34 1.97 1.02 -0.73 -5.13 119.74 115.84 3fw5 s LYS 75 Ca 0.00 -1.49 -0.18 0.00 0.02 0.00 0.00 55.97 54.32 3fw5 s LYS 75 Cb 0.00 -0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 3fw5 s LYS 75 CO 0.00 -0.05 0.51 0.00 -0.92 0.00 0.00 175.35 174.88 3fw5 s ASP 77 N 1.74 6.23 -0.05 0.00 -0.00 0.05 -4.92 116.67 119.72 3fw5 s ASP 77 Ca 0.19 0.26 -0.03 0.00 -0.00 0.00 0.00 52.55 52.97 3fw5 s ASP 77 Cb -0.15 -2.19 -0.04 0.00 -0.00 0.00 0.00 42.92 40.54 3fw5 s ASP 77 CO 0.13 -0.12 0.11 -0.31 -0.00 0.00 0.00 175.17 174.98 3fw5 s TYR 78 N 1.80 3.42 -0.04 4.23 2.02 -1.26 -1.64 117.35 125.88 3fw5 s TYR 78 Ca 0.14 0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 3fw5 s TYR 78 Cb -0.15 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3fw5 s TYR 78 CO 0.09 0.62 0.11 1.67 -1.57 0.00 0.00 175.55 176.47 3fw5 s TRP 79 N -1.14 -0.11 0.00 2.71 -2.14 -0.36 -5.00 118.94 112.91 3fw5 s TRP 79 Ca 0.20 0.28 0.08 0.00 2.66 0.00 0.00 56.10 59.32 3fw5 s TRP 79 Cb -0.12 0.04 -0.02 0.00 -3.10 0.00 0.00 33.47 30.26 3fw5 s TRP 79 CO 0.11 -0.07 -0.24 0.42 -2.66 0.00 0.00 176.95 174.51 3fw5 s ILE 80 N -0.03 1.90 0.16 0.66 1.01 -1.26 -1.10 121.20 122.54 3fw5 s ILE 80 Ca -0.01 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.41 3fw5 s ILE 80 Cb -0.01 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.87 3fw5 s ILE 80 CO 0.00 0.45 0.34 0.00 0.00 0.00 0.00 174.94 175.74 3fw5 s ARG 81 N -0.78 1.18 -0.19 2.79 1.70 -0.17 -5.01 118.95 118.47 3fw5 s ARG 81 Ca 0.09 -1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 54.29 3fw5 s ARG 81 Cb -0.09 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3fw5 s ARG 81 CO 0.00 -0.45 -0.12 0.99 -1.08 0.00 0.00 175.30 174.64 3fw5 s THR 82 N -3.92 2.75 -0.36 4.99 2.01 -1.26 -0.05 115.64 119.79 3fw5 s THR 82 Ca 0.13 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 3fw5 s THR 82 Cb 0.02 -2.20 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 3fw5 s THR 82 CO -0.02 0.48 0.34 -0.36 -0.69 0.00 0.00 174.62 174.37 3fw5 s PHE 83 N 1.27 3.21 -0.14 4.92 2.99 -0.71 -0.82 117.98 128.71 3fw5 s PHE 83 Ca 0.03 -0.19 -0.17 0.00 0.00 0.00 0.00 56.93 56.61 3fw5 s PHE 83 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 43.02 40.18 3fw5 s PHE 83 CO -0.06 -0.48 0.41 0.08 -0.00 0.00 0.00 175.22 175.16 3fw5 s VAL 84 N 1.93 5.23 0.22 -0.44 1.01 0.16 -1.58 120.40 126.94 3fw5 s VAL 84 Ca 0.10 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.57 3fw5 s VAL 84 Cb -0.17 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.31 3fw5 s VAL 84 CO 0.12 0.34 1.23 -2.65 0.00 0.00 0.00 175.10 174.14 3fw5 n PRO 85 N 3.67 1.53 0.00 2.72 -0.02 -1.26 -0.37 135.00 141.28 3fw5 n PRO 85 Ca -0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3fw5 n PRO 85 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3fw5 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw5 n GLY 86 N 1.92 1.76 0.21 -1.23 0.00 0.11 -4.71 105.19 103.25 3fw5 n GLY 86 Ca 0.13 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.37 3fw5 n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fw5 h SER 87 N 0.00 0.00 -5.16 1.61 4.64 -1.94 -3.45 113.55 109.24 3fw5 h SER 87 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3fw5 h SER 87 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 3fw5 h SER 87 CO 0.00 0.30 -0.52 0.00 -0.87 0.00 0.00 176.83 175.73 3fw5 s GLN 88 N -4.11 0.69 0.25 4.77 -2.07 -1.26 -5.11 119.66 112.82 3fw5 s GLN 88 Ca -0.02 -0.98 -0.31 0.00 -1.82 0.00 0.00 55.36 52.23 3fw5 s GLN 88 Cb 0.14 0.26 -0.11 0.00 -1.09 0.00 0.00 33.01 32.20 3fw5 s GLN 88 CO 0.68 -0.18 1.64 -2.14 -1.32 0.00 0.00 175.29 173.97 3fw5 s PRO 89 N -3.49 4.13 0.00 9.60 0.02 -1.26 -1.85 135.00 142.15 3fw5 s PRO 89 Ca 0.03 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3fw5 s PRO 89 Cb 0.04 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3fw5 s PRO 89 CO -0.09 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 3fw5 n GLY 90 N 3.00 0.49 3.44 0.52 0.00 -1.26 -4.63 105.19 106.75 3fw5 n GLY 90 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3fw5 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fw5 s GLU 91 N -0.91 2.02 0.05 1.61 2.02 -0.77 -0.50 118.70 122.22 3fw5 s GLU 91 Ca 0.00 -1.01 -0.10 0.00 0.02 0.00 0.00 54.97 53.88 3fw5 s GLU 91 Cb 0.00 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 32.08 3fw5 s GLU 91 CO 0.00 0.53 0.21 -0.06 0.02 0.00 0.00 175.26 175.97 3fw5 s PHE 92 N -0.91 0.04 0.38 1.61 0.40 0.20 0.05 117.98 119.75 3fw5 s PHE 92 Ca 0.14 -0.28 0.08 0.00 -0.60 0.00 0.00 56.93 56.27 3fw5 s PHE 92 Cb -0.10 -0.01 -0.07 0.00 0.51 0.00 0.00 43.02 43.35 3fw5 s PHE 92 CO 0.05 -0.46 -0.01 0.95 0.70 0.00 0.00 175.22 176.44 3fw5 s THR 93 N -2.77 2.17 0.00 0.64 -4.23 0.50 -0.78 115.64 111.18 3fw5 s THR 93 Ca -0.03 -2.04 -0.22 0.00 -1.18 0.00 0.00 61.69 58.21 3fw5 s THR 93 Cb -0.00 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3fw5 s THR 93 CO -0.05 -0.09 0.65 -0.22 -0.54 0.00 0.00 174.62 174.37 3fw5 s LEU 94 N -3.69 4.41 0.35 4.79 2.96 -1.22 0.40 118.68 126.69 3fw5 s LEU 94 Ca 0.35 1.24 -0.18 0.00 -0.22 0.00 0.00 54.13 55.32 3fw5 s LEU 94 Cb 0.06 -3.03 -0.10 0.00 0.50 0.00 0.00 46.19 43.62 3fw5 s LEU 94 CO 0.18 0.05 0.82 -0.83 -1.32 0.00 0.00 176.35 175.25 3fw5 s GLY 95 N -0.04 2.40 -1.31 7.98 0.00 -0.00 -4.25 107.32 112.09 3fw5 s GLY 95 Ca 0.34 0.20 -0.00 0.00 0.00 0.00 0.00 44.72 45.26 3fw5 s GLY 95 CO 0.19 0.46 0.70 -2.01 0.00 0.00 0.00 173.10 172.43 3fw5 n ASN 96 N -0.34 -1.14 0.27 1.64 5.15 -1.26 -4.66 115.26 114.91 3fw5 n ASN 96 Ca 0.04 -0.82 0.11 0.00 -0.60 0.00 0.00 54.58 53.31 3fw5 n ASN 96 Cb 0.53 -4.05 0.74 0.00 -0.53 0.00 0.00 39.78 36.47 3fw5 n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3fw5 h ILE 97 N -1.87 0.82 0.00 -1.44 -0.00 -1.95 -2.16 117.51 110.90 3fw5 h ILE 97 Ca -0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.23 3fw5 h ILE 97 Cb 1.36 0.99 -0.00 0.00 -0.00 0.00 0.00 36.82 39.17 3fw5 h ILE 97 CO 0.56 0.00 -0.07 0.11 -0.00 0.00 0.00 178.15 178.75 3fw5 h LYS 98 N 0.00 0.00 0.00 2.19 6.56 -1.89 -2.17 116.57 121.26 3fw5 h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3fw5 h LYS 98 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 3fw5 h LYS 98 CO -0.00 0.07 0.00 -1.13 -2.06 0.00 0.00 179.45 176.33 3fw5 n SER 99 N -3.71 0.00 -4.22 0.86 3.41 -0.81 -4.55 113.62 104.59 3fw5 n SER 99 Ca -0.02 0.07 -0.39 0.00 -0.26 0.00 0.00 58.87 58.27 3fw5 n SER 99 Cb 0.17 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 3fw5 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3fw5 s TYR 100 N -2.66 3.39 0.09 7.33 1.51 -0.82 -5.08 117.35 121.12 3fw5 s TYR 100 Ca 0.19 -1.79 -0.32 0.00 -1.01 0.00 0.00 57.07 54.14 3fw5 s TYR 100 Cb 0.15 -2.97 -0.12 0.00 -0.11 0.00 0.00 41.96 38.92 3fw5 s TYR 100 CO 0.36 -0.88 1.79 -2.30 -1.11 0.00 0.00 175.55 173.41 3fw5 n PRO 101 N 4.81 2.53 -0.00 -1.71 -0.02 -1.26 -2.36 135.00 136.98 3fw5 n PRO 101 Ca -0.08 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3fw5 n PRO 101 Cb 0.42 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 3fw5 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw5 n GLY 102 N 4.08 1.04 3.57 -1.23 0.00 -1.26 -4.89 105.19 106.51 3fw5 n GLY 102 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fw5 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fw5 s LEU 103 N 0.00 4.28 -0.01 0.99 2.96 -1.00 -1.40 118.68 124.51 3fw5 s LEU 103 Ca 0.00 0.10 0.12 0.00 -0.22 0.00 0.00 54.13 54.13 3fw5 s LEU 103 Cb 0.00 -2.66 -0.15 0.00 0.50 0.00 0.00 46.19 43.88 3fw5 s LEU 103 CO 0.00 -0.49 0.39 0.35 -1.32 0.00 0.00 176.35 175.28 3fw5 n THR 104 N 5.44 0.00 -3.68 3.68 -2.24 -0.76 -4.82 114.28 111.89 3fw5 n THR 104 Ca -0.04 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3fw5 n THR 104 Cb 0.49 0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 69.30 3fw5 n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fw5 s SER 105 N -2.63 -0.54 -0.27 3.42 0.15 -1.21 -4.96 113.70 107.66 3fw5 s SER 105 Ca 0.01 0.99 -0.07 0.00 0.70 0.00 0.00 55.95 57.57 3fw5 s SER 105 Cb 0.08 1.01 0.13 0.00 -1.71 0.00 0.00 66.02 65.53 3fw5 s SER 105 CO 0.48 -0.24 0.57 -0.47 1.20 0.00 0.00 173.24 174.78 3fw5 s TYR 106 N 0.06 -1.21 -0.01 3.44 6.14 -1.26 -1.23 117.35 123.28 3fw5 s TYR 106 Ca -0.02 1.95 0.04 0.00 0.64 0.00 0.00 57.07 59.69 3fw5 s TYR 106 Cb -0.04 0.60 -0.01 0.00 0.42 0.00 0.00 41.96 42.93 3fw5 s TYR 106 CO 0.02 -0.65 -0.14 -1.17 0.64 0.00 0.00 175.55 174.25 3fw5 s LEU 107 N 2.80 2.03 -0.06 6.97 2.96 0.21 -3.43 118.68 130.16 3fw5 s LEU 107 Ca 0.00 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3fw5 s LEU 107 Cb -0.13 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.86 3fw5 s LEU 107 CO -0.17 0.17 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.16 3fw5 s VAL 108 N -0.32 1.49 -0.08 1.68 1.01 0.04 -0.68 120.40 123.55 3fw5 s VAL 108 Ca 0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3fw5 s VAL 108 Cb -0.05 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.05 3fw5 s VAL 108 CO -0.01 0.43 -0.02 -0.60 0.00 0.00 0.00 175.10 174.91 3fw5 s ARG 109 N 0.24 0.83 -0.37 2.72 3.52 0.38 -0.63 118.95 125.63 3fw5 s ARG 109 Ca -0.09 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.24 3fw5 s ARG 109 Cb -0.14 -1.10 0.01 0.00 -1.56 0.00 0.00 34.95 32.16 3fw5 s ARG 109 CO 0.04 -0.28 1.31 0.08 -0.81 0.00 0.00 175.30 175.63 3fw5 s VAL 110 N 1.86 4.07 -0.12 7.11 1.01 0.34 -0.38 120.40 134.30 3fw5 s VAL 110 Ca 0.04 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 3fw5 s VAL 110 Cb -0.12 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 3fw5 s VAL 110 CO -0.06 -0.68 0.74 0.58 0.00 0.00 0.00 175.10 175.68 3fw5 h VAL 111 N 6.19 1.53 -2.81 2.92 2.07 -0.90 0.98 116.25 126.24 3fw5 h VAL 111 Ca -0.26 -2.04 -0.08 0.00 0.82 0.00 0.00 66.70 65.14 3fw5 h VAL 111 Cb 1.09 2.84 -0.18 0.00 -1.52 0.00 0.00 31.29 33.53 3fw5 h VAL 111 CO 1.07 0.50 -0.06 -0.94 0.02 0.00 0.00 177.57 178.16 3fw5 s SER 112 N -6.07 -0.36 -0.18 0.57 1.04 -1.07 -2.17 113.70 105.46 3fw5 s SER 112 Ca -0.16 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 3fw5 s SER 112 Cb -0.02 0.44 0.13 0.00 0.10 0.00 0.00 66.02 66.67 3fw5 s SER 112 CO 0.61 -0.62 1.03 0.28 0.98 0.00 0.00 173.24 175.51 3fw5 s THR 113 N -2.03 0.00 -1.15 2.02 -1.32 -1.26 -0.18 115.64 111.72 3fw5 s THR 113 Ca -0.08 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.52 3fw5 s THR 113 Cb -0.02 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.26 3fw5 s THR 113 CO 0.01 0.00 1.19 -0.46 -2.21 0.00 0.00 174.62 173.15 3fw5 n ASN 114 N 0.79 2.80 0.00 8.08 6.94 -1.00 -5.01 115.26 127.86 3fw5 n ASN 114 Ca -0.09 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3fw5 n ASN 114 Cb 0.58 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 3fw5 n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3fw5 n TYR 115 N 0.65 0.00 0.42 -2.53 4.01 -1.24 -4.50 117.16 113.96 3fw5 n TYR 115 Ca 0.12 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 3fw5 n TYR 115 Cb 0.41 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.41 3fw5 n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3fw5 n ASN 116 N 0.60 0.63 0.00 7.72 0.23 -1.26 -4.83 115.26 118.35 3fw5 n ASN 116 Ca 0.00 -0.81 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 3fw5 n ASN 116 Cb 0.00 0.86 0.00 0.00 -2.08 0.00 0.00 39.78 38.56 3fw5 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fw5 n GLN 117 N -0.96 0.00 -3.94 -3.83 6.02 -1.26 -4.74 117.38 108.67 3fw5 n GLN 117 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 3fw5 n GLN 117 Cb 0.16 -0.45 -0.07 0.00 1.02 0.00 0.00 30.24 30.90 3fw5 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3fw5 s HIS 118 N -1.84 0.35 -0.13 1.08 -3.43 -1.26 0.16 115.29 110.22 3fw5 s HIS 118 Ca 0.00 -0.71 -0.30 0.00 -0.80 0.00 0.00 55.06 53.26 3fw5 s HIS 118 Cb 0.00 -0.01 0.09 0.00 -1.43 0.00 0.00 32.58 31.24 3fw5 s HIS 118 CO 0.00 -0.75 0.81 0.00 -2.00 0.00 0.00 174.74 172.80 3fw5 s ALA 119 N -3.96 -1.84 -0.12 -1.38 0.00 -0.80 -2.38 121.76 111.28 3fw5 s ALA 119 Ca 0.17 1.52 0.03 0.00 0.00 0.00 0.00 51.96 53.67 3fw5 s ALA 119 Cb 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3fw5 s ALA 119 CO 0.00 -0.34 -0.20 -1.64 0.00 0.00 0.00 175.76 173.58 3fw5 s MET 120 N -0.89 2.80 -0.07 0.00 -1.94 0.75 0.40 119.30 120.34 3fw5 s MET 120 Ca -0.06 -0.78 0.03 0.00 -1.71 0.00 0.00 55.69 53.17 3fw5 s MET 120 Cb -0.01 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.58 3fw5 s MET 120 CO 0.05 0.01 -0.16 0.08 -0.01 0.00 0.00 175.02 174.98 3fw5 s VAL 121 N 0.78 1.45 -0.17 -6.03 1.01 -0.63 -0.42 120.40 116.39 3fw5 s VAL 121 Ca -0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 3fw5 s VAL 121 Cb -0.16 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3fw5 s VAL 121 CO -0.00 0.42 0.19 0.12 0.00 0.00 0.00 175.10 175.83 3fw5 s PHE 122 N 0.50 3.46 0.05 5.22 2.19 0.49 -0.81 117.98 129.08 3fw5 s PHE 122 Ca -0.15 0.45 0.09 0.00 0.33 0.00 0.00 56.93 57.66 3fw5 s PHE 122 Cb -0.16 -2.19 -0.03 0.00 -1.31 0.00 0.00 43.02 39.33 3fw5 s PHE 122 CO 0.05 0.34 -0.26 -0.06 1.83 0.00 0.00 175.22 177.12 3fw5 s PHE 123 N 0.19 2.34 -0.05 10.12 0.08 0.55 -0.47 117.98 130.74 3fw5 s PHE 123 Ca 0.12 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.74 3fw5 s PHE 123 Cb -0.12 -1.38 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 3fw5 s PHE 123 CO 0.01 0.16 0.11 0.21 -0.10 0.00 0.00 175.22 175.61 3fw5 s LYS 124 N -1.35 0.09 0.04 0.44 2.20 0.14 -1.35 119.74 119.95 3fw5 s LYS 124 Ca 0.12 0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 55.92 3fw5 s LYS 124 Cb -0.10 -0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.13 3fw5 s LYS 124 CO 0.03 -0.10 0.11 -1.59 -0.36 0.00 0.00 175.35 173.44 3fw5 s LYS 125 N 0.67 0.63 -0.25 4.03 -2.85 -0.19 0.67 119.74 122.45 3fw5 s LYS 125 Ca -0.05 -0.77 -0.02 0.00 -1.00 0.00 0.00 55.97 54.14 3fw5 s LYS 125 Cb -0.07 0.25 0.02 0.00 -2.06 0.00 0.00 37.83 35.97 3fw5 s LYS 125 CO -0.03 -0.16 -0.06 0.08 0.10 0.00 0.00 175.35 175.28 3fw5 s VAL 126 N -2.74 2.89 -0.07 1.79 1.01 -0.37 -0.29 120.40 122.63 3fw5 s VAL 126 Ca -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3fw5 s VAL 126 Cb -0.00 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3fw5 s VAL 126 CO -0.05 0.21 -0.10 -0.55 0.00 0.00 0.00 175.10 174.62 3fw5 s SER 127 N 1.33 1.62 -1.52 3.32 0.15 -0.39 -1.84 113.70 116.39 3fw5 s SER 127 Ca 0.01 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.26 3fw5 s SER 127 Cb -0.16 -0.74 0.08 0.00 -1.71 0.00 0.00 66.02 63.49 3fw5 s SER 127 CO -0.05 -0.00 0.97 0.00 1.20 0.00 0.00 173.24 175.36 3fw5 n GLN 128 N 4.00 -5.58 -1.07 5.44 3.00 -0.49 -1.36 117.38 121.32 3fw5 n GLN 128 Ca -0.22 0.61 -0.02 0.00 -0.01 0.00 0.00 57.00 57.36 3fw5 n GLN 128 Cb 0.51 -5.51 -0.01 0.00 0.00 0.00 0.00 30.24 25.23 3fw5 n GLN 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3fw5 n ASN 129 N -2.81 -5.60 -4.60 1.08 5.03 -1.26 -4.98 115.26 102.11 3fw5 n ASN 129 Ca 0.04 0.06 -0.34 0.00 0.87 0.00 0.00 54.58 55.20 3fw5 n ASN 129 Cb 0.53 -3.30 -0.10 0.00 -1.02 0.00 0.00 39.78 35.88 3fw5 n ASN 129 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3fw5 s ARG 130 N -1.99 3.77 -0.31 3.52 0.52 -0.46 -5.08 118.95 118.92 3fw5 s ARG 130 Ca 0.00 -0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 3fw5 s ARG 130 Cb 0.00 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 3fw5 s ARG 130 CO 0.00 0.32 0.50 -2.00 0.02 0.00 0.00 175.30 174.15 3fw5 s GLU 131 N 0.20 3.82 0.05 3.54 2.12 -1.26 -1.26 118.70 125.92 3fw5 s GLU 131 Ca 0.02 0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.43 3fw5 s GLU 131 Cb -0.13 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 3fw5 s GLU 131 CO 0.01 -0.51 -0.07 0.71 -0.54 0.00 0.00 175.26 174.87 3fw5 s TYR 132 N 2.35 2.85 0.04 5.30 1.51 0.61 -4.71 117.35 125.30 3fw5 s TYR 132 Ca 0.19 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.18 3fw5 s TYR 132 Cb -0.15 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.13 3fw5 s TYR 132 CO 0.12 0.41 -0.05 -0.59 -1.11 0.00 0.00 175.55 174.32 3fw5 s PHE 133 N -1.12 0.51 0.03 2.71 -0.71 -1.26 -1.02 117.98 117.12 3fw5 s PHE 133 Ca 0.20 -0.64 -0.11 0.00 -1.04 0.00 0.00 56.93 55.34 3fw5 s PHE 133 Cb -0.11 -0.33 0.01 0.00 -1.21 0.00 0.00 43.02 41.38 3fw5 s PHE 133 CO 0.11 -0.18 0.23 -1.59 -1.34 0.00 0.00 175.22 172.45 3fw5 s LYS 134 N -2.14 0.70 -0.10 1.99 -2.85 -0.46 -2.60 119.74 114.29 3fw5 s LYS 134 Ca -0.07 -0.54 0.04 0.00 -1.00 0.00 0.00 55.97 54.39 3fw5 s LYS 134 Cb -0.06 0.30 -0.00 0.00 -2.06 0.00 0.00 37.83 36.01 3fw5 s LYS 134 CO -0.02 -0.21 -0.23 0.42 0.10 0.00 0.00 175.35 175.41 3fw5 s ILE 135 N -2.36 2.16 -0.15 3.79 1.09 0.14 -0.33 121.20 125.53 3fw5 s ILE 135 Ca -0.07 -0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 58.46 3fw5 s ILE 135 Cb -0.02 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.52 3fw5 s ILE 135 CO -0.03 0.56 -0.03 0.28 -0.10 0.00 0.00 174.94 175.62 3fw5 s THR 136 N 0.31 3.98 -0.44 2.92 -1.32 0.01 -1.34 115.64 119.76 3fw5 s THR 136 Ca -0.17 -0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 59.80 3fw5 s THR 136 Cb -0.18 -2.74 0.03 0.00 -1.51 0.00 0.00 72.50 68.11 3fw5 s THR 136 CO 0.08 0.50 0.47 -0.22 -2.21 0.00 0.00 174.62 173.24 3fw5 s LEU 137 N 0.22 4.95 0.04 9.08 2.96 0.39 -1.60 118.68 134.73 3fw5 s LEU 137 Ca -0.02 -0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 52.94 3fw5 s LEU 137 Cb -0.14 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.11 3fw5 s LEU 137 CO 0.03 -0.64 0.54 -0.31 -1.32 0.00 0.00 176.35 174.64 3fw5 s TYR 138 N 2.18 3.76 -0.05 5.38 2.02 0.16 -1.25 117.35 129.55 3fw5 s TYR 138 Ca 0.12 1.19 0.04 0.00 -0.37 0.00 0.00 57.07 58.05 3fw5 s TYR 138 Cb -0.18 -2.48 -0.00 0.00 -0.40 0.00 0.00 41.96 38.90 3fw5 s TYR 138 CO 0.13 0.55 -0.18 0.20 -1.57 0.00 0.00 175.55 174.67 3fw5 s GLY 139 N -0.89 0.98 0.31 0.71 0.00 0.13 -1.90 107.32 106.67 3fw5 s GLY 139 Ca 0.28 -0.73 0.13 0.00 0.00 0.00 0.00 44.72 44.40 3fw5 s GLY 139 CO 0.17 -0.37 1.67 -0.09 0.00 0.00 0.00 173.10 174.49 3fw5 h ARG 140 N 6.28 0.00 -6.02 2.90 9.65 -0.57 0.37 114.38 126.99 3fw5 h ARG 140 Ca -0.32 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.03 3fw5 h ARG 140 Cb 1.18 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.69 3fw5 h ARG 140 CO 0.48 0.52 -0.45 0.95 2.80 0.00 0.00 179.97 184.26 3fw5 s THR 141 N -3.66 2.50 -0.10 0.20 -4.23 -1.26 -4.75 115.64 104.35 3fw5 s THR 141 Ca -0.01 -1.56 0.29 0.00 -1.18 0.00 0.00 61.69 59.23 3fw5 s THR 141 Cb 0.12 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 71.32 3fw5 s THR 141 CO 0.73 -0.02 1.83 0.11 -0.54 0.00 0.00 174.62 176.73 3fw5 h LYS 142 N 1.29 0.00 -6.32 3.99 1.57 -1.95 -3.44 116.57 111.70 3fw5 h LYS 142 Ca -0.42 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.67 3fw5 h LYS 142 Cb 1.26 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.35 3fw5 h LYS 142 CO 0.65 0.03 -0.75 -1.21 -0.57 0.00 0.00 179.45 177.59 3fw5 s GLU 143 N -3.48 2.50 0.21 3.15 0.41 -1.26 -4.86 118.70 115.37 3fw5 s GLU 143 Ca 0.03 -0.71 0.04 0.00 -0.41 0.00 0.00 54.97 53.92 3fw5 s GLU 143 Cb 0.08 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.97 3fw5 s GLU 143 CO 0.60 0.62 -0.03 -0.51 -0.49 0.00 0.00 175.26 175.44 3fw5 s LEU 144 N -0.94 2.30 0.75 1.80 1.43 -1.26 -4.93 118.68 117.82 3fw5 s LEU 144 Ca 0.13 -1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 3fw5 s LEU 144 Cb -0.11 -0.33 0.05 0.00 0.03 0.00 0.00 46.19 45.83 3fw5 s LEU 144 CO 0.02 -0.45 1.11 0.42 0.23 0.00 0.00 176.35 177.69 3fw5 s THR 145 N -3.35 3.08 0.34 5.49 -4.23 -1.26 -4.88 115.64 110.83 3fw5 s THR 145 Ca 0.26 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 61.24 3fw5 s THR 145 Cb 0.05 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 71.16 3fw5 s THR 145 CO 0.07 -0.40 1.85 0.28 -0.54 0.00 0.00 174.62 175.88 3fw5 h SER 146 N -0.78 0.37 -0.52 3.99 0.02 -2.01 -2.10 113.55 112.52 3fw5 h SER 146 Ca -0.45 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3fw5 h SER 146 Cb 1.24 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 3fw5 h SER 146 CO 0.51 0.53 0.34 -0.08 -1.14 0.00 0.00 176.83 176.99 3fw5 h GLU 147 N 0.36 0.69 -0.24 3.45 4.81 -1.99 -0.07 114.58 121.59 3fw5 h GLU 147 Ca 0.07 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 3fw5 h GLU 147 Cb 0.45 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3fw5 h GLU 147 CO 0.03 0.46 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.16 3fw5 h LEU 148 N 0.70 0.81 -0.66 1.64 3.38 -1.88 -1.76 115.31 117.55 3fw5 h LEU 148 Ca 0.19 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 3fw5 h LEU 148 Cb -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3fw5 h LEU 148 CO -0.04 1.19 -0.21 0.11 0.09 0.00 0.00 178.44 179.59 3fw5 h LYS 149 N 0.56 0.82 -0.13 1.13 1.57 -1.26 -1.97 116.57 117.29 3fw5 h LYS 149 Ca 0.01 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.34 3fw5 h LYS 149 Cb 1.12 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3fw5 h LYS 149 CO 0.11 0.96 -0.48 0.93 -0.57 0.00 0.00 179.45 180.40 3fw5 h GLU 150 N 0.72 0.33 -0.74 3.15 3.07 -0.98 -1.70 114.58 118.43 3fw5 h GLU 150 Ca 0.10 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 3fw5 h GLU 150 Cb 0.73 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.62 3fw5 h GLU 150 CO 0.06 0.74 0.35 -0.97 -1.40 0.00 0.00 179.01 177.79 3fw5 h ASN 151 N 0.26 0.96 -0.54 1.42 -1.24 -1.15 -1.79 115.58 113.50 3fw5 h ASN 151 Ca 0.01 -0.13 -0.11 0.00 0.71 0.00 0.00 56.30 56.78 3fw5 h ASN 151 Cb 0.94 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 3fw5 h ASN 151 CO 0.08 0.83 -0.10 0.15 -1.29 0.00 0.00 177.43 177.10 3fw5 h PHE 152 N 1.03 1.15 -0.44 0.67 3.04 -1.19 -1.91 116.94 119.31 3fw5 h PHE 152 Ca 0.25 -0.23 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 3fw5 h PHE 152 Cb 0.12 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 3fw5 h PHE 152 CO 0.01 1.06 0.26 0.82 -2.02 0.00 0.00 178.31 178.43 3fw5 h ILE 153 N 0.92 1.14 -0.04 1.41 2.04 -1.14 -1.30 117.51 120.55 3fw5 h ILE 153 Ca 0.14 -0.34 -0.16 0.00 1.00 0.00 0.00 64.86 65.50 3fw5 h ILE 153 Cb 0.67 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3fw5 h ILE 153 CO 0.05 0.15 -0.69 0.08 0.00 0.00 0.00 178.15 177.73 3fw5 h ARG 154 N 0.57 0.18 -0.42 2.37 0.11 -1.24 -0.94 114.38 115.02 3fw5 h ARG 154 Ca 0.16 -0.15 -0.09 0.00 0.10 0.00 0.00 59.98 60.00 3fw5 h ARG 154 Cb 0.02 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 3fw5 h ARG 154 CO -0.03 0.80 -0.09 0.35 0.10 0.00 0.00 179.97 181.10 3fw5 h PHE 155 N 0.12 0.91 -0.83 4.08 3.57 -1.29 -0.60 116.94 122.91 3fw5 h PHE 155 Ca -0.02 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 3fw5 h PHE 155 Cb 1.24 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3fw5 h PHE 155 CO 0.02 0.92 0.43 0.77 -2.23 0.00 0.00 178.31 178.22 3fw5 h SER 156 N 0.63 1.06 -0.14 0.41 0.02 -1.05 -2.65 113.55 111.83 3fw5 h SER 156 Ca 0.11 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3fw5 h SER 156 Cb 0.62 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3fw5 h SER 156 CO 0.04 0.88 -0.22 0.11 -1.14 0.00 0.00 176.83 176.50 3fw5 h LYS 157 N 1.17 0.57 0.00 3.45 1.57 -1.05 -2.50 116.57 119.78 3fw5 h LYS 157 Ca 0.29 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3fw5 h LYS 157 Cb 0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3fw5 h LYS 157 CO -0.04 0.75 -0.13 0.66 -0.57 0.00 0.00 179.45 180.12 3fw5 h SER 158 N 0.51 0.00 -0.17 0.86 4.64 -0.77 -1.85 113.55 116.77 3fw5 h SER 158 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3fw5 h SER 158 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3fw5 h SER 158 CO 0.05 0.13 0.00 0.18 -0.87 0.00 0.00 176.83 176.32 3fw5 n LEU 159 N -3.73 1.88 0.00 5.97 4.77 -1.04 -4.94 117.00 119.92 3fw5 n LEU 159 Ca -0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3fw5 n LEU 159 Cb 0.24 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3fw5 n LEU 159 CO 0.31 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3fw5 n GLY 160 N 1.18 0.91 3.77 -0.72 0.00 -0.70 -4.56 105.19 105.08 3fw5 n GLY 160 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3fw5 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fw5 s LEU 161 N 0.00 4.35 0.75 0.99 1.43 -0.97 -5.01 118.68 120.23 3fw5 s LEU 161 Ca 0.00 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 3fw5 s LEU 161 Cb 0.00 -2.60 0.05 0.00 0.03 0.00 0.00 46.19 43.67 3fw5 s LEU 161 CO 0.00 0.14 1.12 -2.16 0.23 0.00 0.00 176.35 175.68 3fw5 s PRO 162 N -0.06 2.33 0.31 1.29 0.04 -1.26 -3.97 135.00 133.67 3fw5 s PRO 162 Ca 0.23 0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.50 3fw5 s PRO 162 Cb -0.15 -2.01 0.64 0.00 0.04 0.00 0.00 34.50 33.01 3fw5 s PRO 162 CO 0.10 -1.33 1.85 0.93 0.04 0.00 0.00 177.00 178.60 3fw5 h GLU 163 N -0.83 0.88 0.00 4.56 4.39 -1.98 -0.20 114.58 121.40 3fw5 h GLU 163 Ca -0.45 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3fw5 h GLU 163 Cb 1.30 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3fw5 h GLU 163 CO 0.64 0.58 0.00 0.27 -1.16 0.00 0.00 179.01 179.34 3fw5 n ASN 164 N -4.59 0.00 -1.11 1.42 6.94 -1.26 -1.61 115.26 115.05 3fw5 n ASN 164 Ca 0.18 -0.25 0.09 0.00 -0.02 0.00 0.00 54.58 54.58 3fw5 n ASN 164 Cb 0.37 -0.17 0.26 0.00 -2.36 0.00 0.00 39.78 37.88 3fw5 n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3fw5 n HIS 165 N -1.17 0.87 -4.60 -2.53 8.25 -0.09 -1.12 115.22 114.82 3fw5 n HIS 165 Ca 0.12 -0.53 -0.30 0.00 -0.26 0.00 0.00 57.72 56.75 3fw5 n HIS 165 Cb 0.12 -0.06 -0.17 0.00 1.12 0.00 0.00 29.99 31.01 3fw5 n HIS 165 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3fw5 s ILE 166 N -1.20 1.68 0.10 1.59 2.07 -0.63 -2.15 121.20 122.66 3fw5 s ILE 166 Ca 0.40 -0.76 0.08 0.00 -1.41 0.00 0.00 60.65 58.96 3fw5 s ILE 166 Cb 0.22 -1.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 3fw5 s ILE 166 CO 0.25 0.48 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.85 3fw5 s VAL 167 N 0.85 1.78 -0.43 4.00 1.01 0.28 -4.80 120.40 123.09 3fw5 s VAL 167 Ca -0.09 -1.53 0.04 0.00 0.00 0.00 0.00 61.98 60.40 3fw5 s VAL 167 Cb -0.15 -1.60 0.12 0.00 0.00 0.00 0.00 36.38 34.74 3fw5 s VAL 167 CO -0.00 -0.01 0.16 -0.36 0.00 0.00 0.00 175.10 174.89 3fw5 s PHE 168 N -1.11 3.29 0.36 5.22 0.40 -1.26 0.17 117.98 125.05 3fw5 s PHE 168 Ca 0.07 -2.99 -0.27 0.00 -0.60 0.00 0.00 56.93 53.15 3fw5 s PHE 168 Cb -0.10 -2.76 -0.12 0.00 0.51 0.00 0.00 43.02 40.55 3fw5 s PHE 168 CO 0.04 -0.84 1.12 -2.30 0.70 0.00 0.00 175.22 173.94 3fw5 n PRO 169 N 3.70 1.64 -2.56 0.24 -0.02 -1.24 -4.93 135.00 131.83 3fw5 n PRO 169 Ca 0.04 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3fw5 n PRO 169 Cb 0.37 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3fw5 n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fw5 s VAL 170 N -1.15 4.46 0.27 -1.45 0.11 -0.50 -4.50 120.40 117.64 3fw5 s VAL 170 Ca 0.59 1.76 -0.30 0.00 -2.93 0.00 0.00 61.98 61.10 3fw5 s VAL 170 Cb -0.60 -4.13 -0.13 0.00 -1.53 0.00 0.00 36.38 29.98 3fw5 s VAL 170 CO 0.60 0.06 1.28 -2.65 -3.33 0.00 0.00 175.10 171.05 3fw5 n PRO 171 N 4.63 1.85 -4.37 1.54 -0.02 -1.26 -1.11 135.00 136.26 3fw5 n PRO 171 Ca 0.09 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 3fw5 n PRO 171 Cb 0.48 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 3fw5 n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fw5 s ILE 172 N -0.52 0.69 -0.08 4.25 -4.36 -1.26 -4.88 121.20 115.03 3fw5 s ILE 172 Ca 0.64 -2.00 0.14 0.00 -0.26 0.00 0.00 60.65 59.16 3fw5 s ILE 172 Cb -0.66 -2.63 -0.20 0.00 1.25 0.00 0.00 42.46 40.22 3fw5 s ILE 172 CO 0.55 0.00 0.19 0.47 0.24 0.00 0.00 174.94 176.39 3fw5 n ASP 173 N -0.68 1.59 -4.75 4.36 10.43 -1.26 -4.84 116.55 121.40 3fw5 n ASP 173 Ca -0.01 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.94 3fw5 n ASP 173 Cb 0.66 1.27 -0.03 0.00 1.84 0.00 0.00 41.12 44.86 3fw5 n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3fw5 s GLN 174 N -2.69 4.32 0.00 -1.24 1.11 -1.26 -3.72 119.66 116.18 3fw5 s GLN 174 Ca -0.06 2.20 0.00 0.00 0.01 0.00 0.00 55.36 57.51 3fw5 s GLN 174 Cb 0.07 -3.13 0.00 0.00 -1.01 0.00 0.00 33.01 28.94 3fw5 s GLN 174 CO 0.59 -0.32 0.00 0.00 0.01 0.00 0.00 175.29 175.57 3fw5 n ILE 176 N 0.00 0.31 1.62 0.00 -0.00 -1.25 -3.86 119.36 116.18 3fw5 n ILE 176 Ca 0.00 -0.29 0.15 0.00 -0.00 0.00 0.00 62.75 62.61 3fw5 n ILE 176 Cb 0.00 -0.03 0.68 0.00 -0.00 0.00 0.00 39.64 40.29 3fw5 n ILE 176 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 3fw5 n ASP 177 N -2.11 0.69 0.00 4.38 10.43 -1.24 -4.95 116.55 123.74 3fw5 n ASP 177 Ca 0.02 -1.04 0.04 0.00 2.57 0.00 0.00 54.79 56.38 3fw5 n ASP 177 Cb 0.45 -0.02 0.23 0.00 1.84 0.00 0.00 41.12 43.62 3fw5 n ASP 177 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74