#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f58 s ILE 2 N 0.00 4.31 -0.28 0.53 1.01 -1.26 -4.98 121.20 120.53 3f58 s ILE 2 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 3f58 s ILE 2 Cb 0.00 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3f58 s ILE 2 CO 0.00 0.12 0.58 -0.69 0.00 0.00 0.00 174.94 174.95 3f58 s VAL 3 N 1.57 5.00 -0.26 2.92 1.01 -1.26 -4.80 120.40 124.58 3f58 s VAL 3 Ca 0.04 0.91 -0.14 0.00 0.00 0.00 0.00 61.98 62.79 3f58 s VAL 3 Cb -0.17 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3f58 s VAL 3 CO 0.04 -0.01 0.35 -0.76 0.00 0.00 0.00 175.10 174.72 3f58 s LEU 4 N 2.46 4.05 -0.26 3.92 1.43 -1.26 -1.12 118.68 127.90 3f58 s LEU 4 Ca 0.24 0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 3f58 s LEU 4 Cb -0.15 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3f58 s LEU 4 CO 0.10 -0.15 -0.01 -0.89 0.23 0.00 0.00 176.35 175.63 3f58 s THR 5 N 1.92 3.35 -0.13 5.49 2.01 0.76 -4.39 115.64 124.65 3f58 s THR 5 Ca 0.14 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 3f58 s THR 5 Cb -0.16 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3f58 s THR 5 CO 0.10 0.21 0.15 -1.10 -0.69 0.00 0.00 174.62 173.29 3f58 s GLN 6 N 1.42 3.62 -0.01 4.92 -0.21 -1.26 -1.05 119.66 127.08 3f58 s GLN 6 Ca 0.02 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.29 3f58 s GLN 6 Cb -0.16 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.62 3f58 s GLN 6 CO -0.02 0.68 -0.00 -1.54 -2.12 0.00 0.00 175.29 172.29 3f58 s SER 7 N -0.75 0.19 0.68 5.90 1.04 -0.98 -4.36 113.70 115.43 3f58 s SER 7 Ca 0.14 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 3f58 s SER 7 Cb -0.12 -0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.03 3f58 s SER 7 CO 0.03 -0.04 0.95 -2.16 0.98 0.00 0.00 173.24 173.00 3f58 s PRO 8 N 0.46 1.87 0.46 4.02 0.04 -1.26 -1.61 135.00 138.97 3f58 s PRO 8 Ca -0.04 -1.05 0.15 0.00 0.04 0.00 0.00 61.00 60.10 3f58 s PRO 8 Cb -0.06 -2.37 1.05 0.00 0.04 0.00 0.00 34.50 33.16 3f58 s PRO 8 CO -0.01 -1.29 2.01 0.00 0.04 0.00 0.00 177.00 177.75 3f58 h ALA 9 N -0.40 1.72 -2.14 8.56 0.00 -1.84 -3.43 119.26 121.74 3f58 h ALA 9 Ca -0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3f58 h ALA 9 Cb 1.27 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 3f58 h ALA 9 CO 0.43 0.20 0.27 -1.54 0.00 0.00 0.00 179.25 178.61 3f58 s SER 10 N -6.98 -0.57 -0.05 0.00 1.04 -1.26 -1.24 113.70 104.64 3f58 s SER 10 Ca -0.04 0.48 -0.16 0.00 0.48 0.00 0.00 55.95 56.72 3f58 s SER 10 Cb 0.16 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3f58 s SER 10 CO 0.69 -0.64 0.35 -1.48 0.98 0.00 0.00 173.24 173.15 3f58 s LEU 11 N -1.56 0.68 -0.17 2.42 2.34 -0.97 -4.96 118.68 116.46 3f58 s LEU 11 Ca -0.06 0.29 -0.04 0.00 0.06 0.00 0.00 54.13 54.38 3f58 s LEU 11 Cb -0.00 1.36 -0.03 0.00 -0.56 0.00 0.00 46.19 46.96 3f58 s LEU 11 CO 0.03 -0.38 -0.03 0.00 -1.06 0.00 0.00 176.35 174.90 3f58 s ALA 12 N -0.96 2.99 0.01 1.48 0.00 -1.25 -1.83 121.76 122.20 3f58 s ALA 12 Ca -0.10 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3f58 s ALA 12 Cb -0.04 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 3f58 s ALA 12 CO 0.04 0.12 -0.05 0.14 0.00 0.00 0.00 175.76 176.01 3f58 s VAL 13 N 0.53 0.34 0.39 0.00 -7.23 -0.99 -4.86 120.40 108.58 3f58 s VAL 13 Ca -0.03 -0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 59.56 3f58 s VAL 13 Cb -0.14 -0.33 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 3f58 s VAL 13 CO 0.03 -0.06 0.85 -0.44 -0.31 0.00 0.00 175.10 175.16 3f58 s SER 14 N -0.51 6.79 0.51 4.85 0.01 -1.26 -0.69 113.70 123.39 3f58 s SER 14 Ca -0.02 1.45 -0.23 0.00 1.31 0.00 0.00 55.95 58.45 3f58 s SER 14 Cb -0.04 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 3f58 s SER 14 CO -0.00 -0.33 1.36 -1.48 0.41 0.00 0.00 173.24 173.20 3f58 s LEU 15 N -3.28 3.95 0.00 2.44 0.05 -1.26 -1.73 118.68 118.84 3f58 s LEU 15 Ca 0.57 2.77 0.00 0.00 0.05 0.00 0.00 54.13 57.53 3f58 s LEU 15 Cb -0.10 -4.16 0.00 0.00 -2.05 0.00 0.00 46.19 39.88 3f58 s LEU 15 CO 0.19 -1.39 0.00 0.61 -0.55 0.00 0.00 176.35 175.21 3f58 n GLY 16 N 0.66 2.84 2.22 -3.48 0.00 -0.49 -4.93 105.19 102.02 3f58 n GLY 16 Ca 0.08 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 3f58 n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f58 n GLN 17 N 0.00 -3.03 -5.06 1.61 6.02 -0.71 -4.40 117.38 111.82 3f58 n GLN 17 Ca 0.00 -1.08 -0.32 0.00 -0.01 0.00 0.00 57.00 55.59 3f58 n GLN 17 Cb 0.00 -1.15 -0.16 0.00 1.02 0.00 0.00 30.24 29.95 3f58 n GLN 17 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3f58 s ARG 18 N -4.53 3.00 -0.05 -1.09 3.52 -1.26 -2.29 118.95 116.24 3f58 s ARG 18 Ca 0.46 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 55.31 3f58 s ARG 18 Cb -0.06 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.93 3f58 s ARG 18 CO 0.36 0.28 -0.22 0.00 -0.81 0.00 0.00 175.30 174.91 3f58 s ALA 19 N 0.13 2.30 -0.12 6.12 0.00 -0.47 -5.00 121.76 124.71 3f58 s ALA 19 Ca -0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 3f58 s ALA 19 Cb -0.16 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.28 3f58 s ALA 19 CO 0.06 0.48 0.06 0.99 0.00 0.00 0.00 175.76 177.35 3f58 s THR 20 N -0.42 0.06 -0.11 0.00 2.01 -1.26 -1.04 115.64 114.89 3f58 s THR 20 Ca 0.04 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 3f58 s THR 20 Cb -0.12 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 3f58 s THR 20 CO 0.01 -0.07 0.03 -0.63 -0.69 0.00 0.00 174.62 173.27 3f58 s ILE 21 N 2.08 4.52 0.25 1.82 1.01 -0.28 -4.82 121.20 125.78 3f58 s ILE 21 Ca 0.03 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.60 3f58 s ILE 21 Cb -0.15 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3f58 s ILE 21 CO -0.07 0.58 0.13 -0.94 0.00 0.00 0.00 174.94 174.64 3f58 s SER 22 N -0.62 5.20 -0.13 3.58 1.04 -0.64 -0.27 113.70 121.87 3f58 s SER 22 Ca 0.11 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.10 3f58 s SER 22 Cb -0.12 -1.22 0.05 0.00 0.10 0.00 0.00 66.02 64.83 3f58 s SER 22 CO 0.02 -0.02 0.30 0.00 0.98 0.00 0.00 173.24 174.53 3f58 s LYS 24 N 1.37 1.98 0.26 0.00 2.20 -0.21 -1.34 119.74 123.99 3f58 s LYS 24 Ca -0.09 -0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 54.86 3f58 s LYS 24 Cb -0.10 -1.72 -0.09 0.00 -1.51 0.00 0.00 37.83 34.42 3f58 s LYS 24 CO -0.10 -0.07 0.74 0.00 -0.36 0.00 0.00 175.35 175.56 3f58 s ALA 25 N 1.01 3.38 -1.42 3.13 0.00 0.27 -0.17 121.76 127.95 3f58 s ALA 25 Ca -0.07 0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.26 3f58 s ALA 25 Cb -0.15 -2.82 1.14 0.00 0.00 0.00 0.00 23.12 21.29 3f58 s ALA 25 CO -0.01 0.32 1.74 -1.13 0.00 0.00 0.00 175.76 176.68 3f58 n SER 26 N 0.39 0.00 -3.71 0.00 3.41 -0.27 -4.77 113.62 108.66 3f58 n SER 26 Ca -0.00 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.45 3f58 n SER 26 Cb 0.52 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 3f58 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3f58 s GLN 27 N -2.58 0.83 0.31 4.33 -0.21 -1.26 -4.95 119.66 116.14 3f58 s GLN 27 Ca 0.21 -0.32 -0.29 0.00 0.02 0.00 0.00 55.36 54.98 3f58 s GLN 27 Cb 0.15 0.37 -0.11 0.00 1.00 0.00 0.00 33.01 34.42 3f58 s GLN 27 CO 0.35 -0.26 1.50 0.20 -2.12 0.00 0.00 175.29 174.95 3f58 s GLY 27 N -1.79 2.51 -0.32 3.09 0.00 -1.26 -4.63 107.32 104.93 3f58 s GLY 27 Ca -0.08 1.49 0.08 0.00 0.00 0.00 0.00 44.72 46.21 3f58 s GLY 27 CO -0.00 2.33 1.43 3.33 0.00 0.00 0.00 173.10 180.19 3f58 n VAL 27 N 1.52 2.61 -3.95 1.40 0.24 -0.44 -4.97 118.33 114.74 3f58 n VAL 27 Ca 0.05 -3.17 -0.24 0.00 -2.04 0.00 0.00 64.34 58.93 3f58 n VAL 27 Cb 0.39 -0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 32.16 3f58 n VAL 27 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3f58 s ASP 27 N -2.81 6.33 -0.30 -1.34 1.11 -1.26 -1.07 116.67 117.34 3f58 s ASP 27 Ca 0.47 0.14 -0.18 0.00 0.18 0.00 0.00 52.55 53.17 3f58 s ASP 27 Cb 0.41 -1.90 0.19 0.00 1.07 0.00 0.00 42.92 42.69 3f58 s ASP 27 CO -0.00 0.01 1.19 0.12 1.18 0.00 0.00 175.17 177.67 3f58 s PHE 27 N -1.82 -0.27 -1.33 4.23 5.36 -1.01 -4.95 117.98 118.19 3f58 s PHE 27 Ca 0.34 0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 56.73 3f58 s PHE 27 Cb -0.10 0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 3f58 s PHE 27 CO 0.29 -0.13 0.96 -0.25 -1.46 0.00 0.00 175.22 174.63 3f58 n ASP 28 N 4.52 -3.42 -3.77 6.13 9.92 -1.26 -2.88 116.55 125.78 3f58 n ASP 28 Ca -0.08 -0.68 -0.27 0.00 -0.53 0.00 0.00 54.79 53.22 3f58 n ASP 28 Cb 0.55 -4.59 0.02 0.00 -0.64 0.00 0.00 41.12 36.46 3f58 n ASP 28 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f58 n GLY 29 N -1.58 -0.59 3.57 0.44 0.00 -1.26 -4.98 105.19 100.79 3f58 n GLY 29 Ca -0.16 0.29 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 3f58 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f58 s ALA 30 N -3.68 -1.86 -0.24 4.61 0.00 -1.14 -5.14 121.76 114.31 3f58 s ALA 30 Ca 0.22 2.18 -0.24 0.00 0.00 0.00 0.00 51.96 54.12 3f58 s ALA 30 Cb -0.08 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3f58 s ALA 30 CO 0.86 -0.87 0.80 -1.12 0.00 0.00 0.00 175.76 175.43 3f58 s SER 31 N 2.78 6.81 -1.51 0.00 0.01 -1.26 -2.40 113.70 118.13 3f58 s SER 31 Ca -0.05 1.01 -0.09 0.00 1.31 0.00 0.00 55.95 58.13 3f58 s SER 31 Cb -0.12 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 3f58 s SER 31 CO -0.18 -0.48 2.71 0.49 0.41 0.00 0.00 173.24 176.19 3f58 n PHE 32 N 5.88 2.54 -4.65 2.43 3.01 -0.23 -3.23 117.46 123.20 3f58 n PHE 32 Ca 0.05 -2.99 -0.28 0.00 1.01 0.00 0.00 57.45 55.24 3f58 n PHE 32 Cb 0.48 -2.26 -0.17 0.00 -0.01 0.00 0.00 39.48 37.52 3f58 n PHE 32 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3f58 s MET 33 N 1.00 2.19 0.28 -1.08 1.75 -1.26 -1.57 119.30 120.61 3f58 s MET 33 Ca 0.63 -0.57 0.08 0.00 -1.25 0.00 0.00 55.69 54.58 3f58 s MET 33 Cb 0.18 -1.79 -0.06 0.00 2.84 0.00 0.00 34.83 36.00 3f58 s MET 33 CO -0.07 0.01 -0.09 -0.80 -0.65 0.00 0.00 175.02 173.42 3f58 s ASN 34 N 0.75 3.04 -0.02 1.11 0.01 0.44 0.35 114.94 120.63 3f58 s ASN 34 Ca -0.12 -1.16 0.03 0.00 -0.71 0.00 0.00 52.86 50.91 3f58 s ASN 34 Cb -0.16 -0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.28 3f58 s ASN 34 CO 0.02 -0.25 -0.11 0.26 -1.51 0.00 0.00 177.10 175.51 3f58 s TRP 35 N -2.87 1.05 0.10 2.20 0.52 0.82 -0.67 118.94 120.09 3f58 s TRP 35 Ca 0.29 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.26 3f58 s TRP 35 Cb 0.02 -0.70 -0.03 0.00 -1.15 0.00 0.00 33.47 31.61 3f58 s TRP 35 CO 0.13 -0.05 -0.17 0.71 0.02 0.00 0.00 176.95 177.59 3f58 s TYR 36 N -0.13 1.49 -0.02 -1.98 1.51 -0.25 -0.80 117.35 117.18 3f58 s TYR 36 Ca 0.02 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 55.67 3f58 s TYR 36 Cb -0.06 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 3f58 s TYR 36 CO -0.00 0.14 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.24 3f58 s GLN 37 N -2.08 1.63 -0.08 -0.62 0.74 0.77 -1.37 119.66 118.66 3f58 s GLN 37 Ca 0.04 -0.72 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 3f58 s GLN 37 Cb -0.09 -1.58 0.04 0.00 1.10 0.00 0.00 33.01 32.48 3f58 s GLN 37 CO 0.03 0.43 0.04 -1.14 -0.55 0.00 0.00 175.29 174.11 3f58 s GLN 38 N -0.47 0.25 0.28 1.67 0.74 0.68 0.07 119.66 122.88 3f58 s GLN 38 Ca 0.08 0.15 -0.10 0.00 0.05 0.00 0.00 55.36 55.54 3f58 s GLN 38 Cb -0.08 -1.00 -0.07 0.00 1.10 0.00 0.00 33.01 32.96 3f58 s GLN 38 CO -0.01 -0.40 0.62 0.15 -0.55 0.00 0.00 175.29 175.11 3f58 s LYS 39 N 2.07 3.81 0.32 1.67 1.02 -1.26 -1.62 119.74 125.74 3f58 s LYS 39 Ca 0.04 0.33 -0.28 0.00 0.02 0.00 0.00 55.97 56.08 3f58 s LYS 39 Cb -0.13 -2.57 -0.13 0.00 -0.52 0.00 0.00 37.83 34.48 3f58 s LYS 39 CO -0.05 0.22 1.24 -0.35 -0.92 0.00 0.00 175.35 175.48 3f58 n PRO 40 N -0.49 1.93 -1.26 -1.68 -0.04 -1.26 -2.28 135.00 129.92 3f58 n PRO 40 Ca 0.01 0.68 -0.07 0.00 -0.04 0.00 0.00 63.50 64.08 3f58 n PRO 40 Cb 0.53 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 3f58 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f58 n GLY 41 N 1.01 0.87 3.15 0.55 0.00 -1.26 -5.01 105.19 104.49 3f58 n GLY 41 Ca 0.07 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 3f58 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f58 s GLN 42 N -2.69 0.72 0.60 1.61 -0.21 -0.97 -5.16 119.66 113.57 3f58 s GLN 42 Ca 0.00 -1.08 -0.14 0.00 0.02 0.00 0.00 55.36 54.15 3f58 s GLN 42 Cb 0.00 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.25 3f58 s GLN 42 CO 0.00 -0.19 1.04 -1.25 -2.12 0.00 0.00 175.29 172.77 3f58 s PRO 43 N -3.87 3.37 0.32 2.91 0.04 -1.26 -4.62 135.00 131.88 3f58 s PRO 43 Ca 0.06 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.88 3f58 s PRO 43 Cb 0.06 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3f58 s PRO 43 CO -0.10 -0.76 1.45 -2.14 0.04 0.00 0.00 177.00 175.49 3f58 s PRO 44 N -4.37 4.21 -0.12 0.56 0.02 -1.26 -4.68 135.00 129.35 3f58 s PRO 44 Ca 0.61 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 64.03 3f58 s PRO 44 Cb -0.14 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 3f58 s PRO 44 CO 0.41 -0.44 -0.04 0.21 -0.33 0.00 0.00 177.00 176.81 3f58 s LYS 45 N -1.33 3.26 0.17 5.54 2.47 0.11 -4.90 119.74 125.07 3f58 s LYS 45 Ca 0.55 -0.50 -0.30 0.00 -1.56 0.00 0.00 55.97 54.16 3f58 s LYS 45 Cb -0.44 -2.80 -0.07 0.00 -1.46 0.00 0.00 37.83 33.05 3f58 s LYS 45 CO 0.53 0.47 1.13 -1.17 0.16 0.00 0.00 175.35 176.47 3f58 s LEU 46 N -0.25 4.47 0.02 5.43 2.96 -1.26 -0.16 118.68 129.88 3f58 s LEU 46 Ca 0.04 2.12 -0.05 0.00 -0.22 0.00 0.00 54.13 56.03 3f58 s LEU 46 Cb -0.13 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 3f58 s LEU 46 CO 0.02 -0.28 -0.09 0.18 -1.32 0.00 0.00 176.35 174.86 3f58 n LEU 47 N 2.54 1.27 -4.07 -0.68 4.77 0.02 -4.80 117.00 116.05 3f58 n LEU 47 Ca 0.04 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 3f58 n LEU 47 Cb 0.46 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.98 3f58 n LEU 47 CO 0.54 -0.57 -0.45 -0.63 -1.33 0.00 0.00 177.39 174.95 3f58 s ILE 48 N -2.23 0.92 0.08 -0.08 1.01 -1.17 -0.76 121.20 118.96 3f58 s ILE 48 Ca -0.08 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3f58 s ILE 48 Cb 0.01 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3f58 s ILE 48 CO 0.11 0.21 -0.13 0.72 0.00 0.00 0.00 174.94 175.85 3f58 s PHE 49 N -0.37 1.18 -0.97 3.97 -0.71 0.49 -0.13 117.98 121.45 3f58 s PHE 49 Ca 0.04 -0.49 -0.04 0.00 -1.04 0.00 0.00 56.93 55.40 3f58 s PHE 49 Cb -0.05 -0.66 0.00 0.00 -1.21 0.00 0.00 43.02 41.11 3f58 s PHE 49 CO -0.00 0.05 0.55 0.00 -1.34 0.00 0.00 175.22 174.47 3f58 n ALA 50 N 1.17 -0.72 0.00 1.99 0.00 -0.92 -1.76 120.51 120.28 3f58 n ALA 50 Ca -0.20 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3f58 n ALA 50 Cb 0.55 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.85 3f58 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f58 n ALA 51 N -3.41 0.00 -0.57 0.00 0.00 0.16 -4.28 120.51 112.41 3f58 n ALA 51 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3f58 n ALA 51 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3f58 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3f58 n SER 52 N 1.02 0.09 -4.64 0.00 3.41 -1.24 -3.55 113.62 108.70 3f58 n SER 52 Ca 0.00 -0.68 -0.41 0.00 -0.26 0.00 0.00 58.87 57.52 3f58 n SER 52 Cb 0.00 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 3f58 n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3f58 s THR 53 N -0.05 4.93 0.40 6.66 2.01 -0.72 -4.62 115.64 124.26 3f58 s THR 53 Ca 0.00 1.35 -0.23 0.00 0.31 0.00 0.00 61.69 63.12 3f58 s THR 53 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 3f58 s THR 53 CO 0.00 0.01 0.97 -0.76 -0.69 0.00 0.00 174.62 174.16 3f58 s LEU 54 N 2.43 4.06 0.85 4.42 1.43 -1.26 -0.38 118.68 130.23 3f58 s LEU 54 Ca 0.31 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 3f58 s LEU 54 Cb -0.16 -4.36 0.10 0.00 0.03 0.00 0.00 46.19 41.81 3f58 s LEU 54 CO 0.09 -0.35 1.16 -0.70 0.23 0.00 0.00 176.35 176.77 3f58 s GLU 55 N -2.79 1.64 0.25 1.70 2.56 0.06 -4.93 118.70 117.18 3f58 s GLU 55 Ca 0.59 0.22 -0.30 0.00 0.00 0.00 0.00 54.97 55.48 3f58 s GLU 55 Cb -0.14 -1.90 -0.09 0.00 2.00 0.00 0.00 34.13 33.99 3f58 s GLU 55 CO 0.19 -1.84 1.07 -1.12 -0.56 0.00 0.00 175.26 173.00 3f58 s SER 56 N -4.31 7.33 0.00 -1.70 0.01 -1.26 -3.24 113.70 110.53 3f58 s SER 56 Ca 0.63 2.18 0.00 0.00 1.31 0.00 0.00 55.95 60.06 3f58 s SER 56 Cb -0.13 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.48 3f58 s SER 56 CO 0.51 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.66 3f58 n GLY 57 N 1.42 0.82 3.48 3.44 0.00 -1.26 -5.03 105.19 108.06 3f58 n GLY 57 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3f58 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f58 s ILE 58 N -3.23 4.84 0.42 -0.61 1.09 -1.20 -5.08 121.20 117.42 3f58 s ILE 58 Ca 0.00 -0.30 -0.25 0.00 -1.10 0.00 0.00 60.65 59.00 3f58 s ILE 58 Cb 0.00 -3.45 -0.10 0.00 -1.06 0.00 0.00 42.46 37.85 3f58 s ILE 58 CO 0.00 0.07 1.16 -0.81 -0.10 0.00 0.00 174.94 175.26 3f58 n PRO 59 N 5.02 1.67 0.00 2.79 -0.04 -1.26 -4.85 135.00 138.33 3f58 n PRO 59 Ca -0.14 0.59 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 3f58 n PRO 59 Cb 0.50 -2.23 0.13 0.00 -0.04 0.00 0.00 33.50 31.86 3f58 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f58 n ALA 60 N -0.32 1.69 1.62 0.55 0.00 -1.26 -2.45 120.51 120.35 3f58 n ALA 60 Ca 0.08 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3f58 n ALA 60 Cb 0.39 -1.07 0.78 0.00 0.00 0.00 0.00 19.45 19.55 3f58 n ALA 60 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3f58 n ARG 61 N -0.92 0.79 -3.98 0.00 1.85 -1.26 -4.58 116.66 108.55 3f58 n ARG 61 Ca 0.03 0.01 -0.35 0.00 -1.00 0.00 0.00 57.85 56.54 3f58 n ARG 61 Cb 0.02 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.81 3f58 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3f58 s PHE 62 N -2.06 3.09 0.05 2.89 0.08 -1.02 -1.54 117.98 119.47 3f58 s PHE 62 Ca 0.38 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 57.13 3f58 s PHE 62 Cb 0.18 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3f58 s PHE 62 CO 0.32 -0.19 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.63 3f58 s SER 63 N 1.03 1.01 -0.04 1.36 1.04 -0.20 -4.98 113.70 112.93 3f58 s SER 63 Ca 0.03 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 3f58 s SER 63 Cb -0.14 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.02 3f58 s SER 63 CO 0.02 -0.22 0.09 -0.83 0.98 0.00 0.00 173.24 173.28 3f58 s GLY 64 N -1.80 -0.04 0.19 7.32 0.00 -1.26 0.04 107.32 111.77 3f58 s GLY 64 Ca -0.06 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.94 3f58 s GLY 64 CO 0.00 0.41 0.22 1.09 0.00 0.00 0.00 173.10 174.82 3f58 s ARG 65 N 0.38 1.20 0.00 2.90 1.70 -0.79 -4.04 118.95 120.31 3f58 s ARG 65 Ca -0.03 -1.41 0.00 0.00 -0.47 0.00 0.00 55.73 53.82 3f58 s ARG 65 Cb -0.04 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 3f58 s ARG 65 CO -0.01 -0.42 0.00 0.41 -1.08 0.00 0.00 175.30 174.19 3f58 n GLY 66 N -0.24 2.17 3.51 3.88 0.00 -1.26 -1.11 105.19 112.14 3f58 n GLY 66 Ca -0.02 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 3f58 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f58 s SER 67 N 0.00 -0.35 1.24 1.61 1.04 -1.01 -4.95 113.70 111.27 3f58 s SER 67 Ca 0.00 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3f58 s SER 67 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3f58 s SER 67 CO 0.00 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3f58 n GLY 68 N -0.15 1.49 0.00 7.32 0.00 -1.26 -3.05 105.19 109.53 3f58 n GLY 68 Ca -0.08 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3f58 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f58 n THR 69 N 0.00 0.00 -4.02 2.61 -2.24 -1.26 -1.32 114.28 108.05 3f58 n THR 69 Ca 0.00 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 3f58 n THR 69 Cb 0.00 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 68.60 3f58 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3f58 s ASP 70 N -2.66 4.64 0.05 3.42 1.01 -1.17 -0.57 116.67 121.38 3f58 s ASP 70 Ca -0.01 -0.27 0.02 0.00 0.71 0.00 0.00 52.55 52.99 3f58 s ASP 70 Cb 0.06 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 3f58 s ASP 70 CO 0.36 0.03 -0.07 -0.36 0.21 0.00 0.00 175.17 175.34 3f58 s PHE 71 N 1.20 0.64 0.01 4.23 0.40 -0.45 -2.41 117.98 121.60 3f58 s PHE 71 Ca 0.03 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 55.78 3f58 s PHE 71 Cb -0.15 -0.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.99 3f58 s PHE 71 CO 0.00 -0.11 0.03 0.95 0.70 0.00 0.00 175.22 176.79 3f58 s THR 72 N -1.67 0.08 -0.10 0.64 -4.23 -0.27 -0.29 115.64 109.80 3f58 s THR 72 Ca -0.08 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3f58 s THR 72 Cb -0.08 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.47 3f58 s THR 72 CO -0.01 -0.37 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.43 3f58 s LEU 73 N -1.13 3.18 -0.06 4.79 2.96 0.63 -1.89 118.68 127.16 3f58 s LEU 73 Ca -0.12 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3f58 s LEU 73 Cb -0.07 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3f58 s LEU 73 CO -0.00 0.28 -0.17 0.20 -1.32 0.00 0.00 176.35 175.34 3f58 s ASN 74 N -0.34 2.26 -0.13 3.68 0.01 0.11 -1.13 114.94 119.39 3f58 s ASN 74 Ca 0.05 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 3f58 s ASN 74 Cb -0.12 -0.84 0.01 0.00 0.41 0.00 0.00 41.25 40.70 3f58 s ASN 74 CO 0.02 0.12 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.89 3f58 s ILE 75 N 0.29 2.00 -0.30 0.60 1.01 -0.20 -1.03 121.20 123.56 3f58 s ILE 75 Ca -0.10 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.45 3f58 s ILE 75 Cb -0.14 -1.77 0.16 0.00 0.01 0.00 0.00 42.46 40.73 3f58 s ILE 75 CO 0.04 0.54 0.98 -2.28 0.00 0.00 0.00 174.94 174.22 3f58 s HIS 76 N 0.75 -0.69 -0.01 3.97 2.46 -0.59 -1.37 115.29 119.81 3f58 s HIS 76 Ca -0.09 1.19 -0.20 0.00 0.47 0.00 0.00 55.06 56.43 3f58 s HIS 76 Cb -0.16 0.41 -0.05 0.00 -0.13 0.00 0.00 32.58 32.65 3f58 s HIS 76 CO -0.00 -0.34 0.58 -1.25 -2.47 0.00 0.00 174.74 171.25 3f58 s PRO 77 N 2.45 4.29 -0.10 2.88 0.04 -1.26 -4.52 135.00 138.78 3f58 s PRO 77 Ca -0.03 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 3f58 s PRO 77 Cb -0.06 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 3f58 s PRO 77 CO -0.18 0.38 2.07 0.28 0.04 0.00 0.00 177.00 179.59 3f58 n VAL 78 N 2.70 0.55 -2.70 -0.36 0.31 -0.97 -4.71 118.33 113.16 3f58 n VAL 78 Ca -0.07 -0.26 -0.21 0.00 -0.01 0.00 0.00 64.34 63.79 3f58 n VAL 78 Cb 0.51 -2.29 0.06 0.00 -0.91 0.00 0.00 33.84 31.21 3f58 n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3f58 s GLU 79 N 5.20 2.26 0.38 5.55 0.41 -1.26 -1.40 118.70 129.85 3f58 s GLU 79 Ca 0.95 -1.03 0.15 0.00 -0.41 0.00 0.00 54.97 54.64 3f58 s GLU 79 Cb -0.47 -2.48 0.77 0.00 -1.78 0.00 0.00 34.13 30.17 3f58 s GLU 79 CO 0.42 -0.93 1.82 0.93 -0.49 0.00 0.00 175.26 177.01 3f58 h GLU 80 N -0.06 0.00 -0.95 1.61 5.08 -1.93 -3.15 114.58 115.17 3f58 h GLU 80 Ca -0.39 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.77 3f58 h GLU 80 Cb 1.28 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 3f58 h GLU 80 CO 0.46 0.37 0.26 -0.85 -1.00 0.00 0.00 179.01 178.24 3f58 n GLU 81 N -3.91 1.99 0.00 2.33 0.28 -1.26 -3.83 120.64 116.23 3f58 n GLU 81 Ca -0.02 -1.57 0.06 0.00 -0.16 0.00 0.00 57.16 55.48 3f58 n GLU 81 Cb 0.42 -1.68 -0.03 0.00 1.43 0.00 0.00 31.44 31.58 3f58 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3f58 n ASP 82 N -0.18 1.03 -4.63 -1.84 8.00 -1.19 -4.94 116.55 112.80 3f58 n ASP 82 Ca 0.27 -1.01 -0.43 0.00 0.71 0.00 0.00 54.79 54.33 3f58 n ASP 82 Cb 1.02 0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 42.80 3f58 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f58 s ALA 83 N -1.87 3.19 -0.04 2.24 0.00 -1.25 -4.84 121.76 119.20 3f58 s ALA 83 Ca 0.08 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.62 3f58 s ALA 83 Cb 0.10 -3.92 0.06 0.00 0.00 0.00 0.00 23.12 19.37 3f58 s ALA 83 CO 0.41 -2.10 0.88 0.00 0.00 0.00 0.00 175.76 174.95 3f58 n ALA 84 N 9.16 -2.52 -2.72 0.00 0.00 -1.24 -4.83 120.51 118.37 3f58 n ALA 84 Ca 0.22 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 3f58 n ALA 84 Cb 0.44 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 3f58 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3f58 s THR 85 N -2.03 4.46 -0.11 0.00 2.01 -0.64 -1.39 115.64 117.94 3f58 s THR 85 Ca 0.21 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.05 3f58 s THR 85 Cb -0.00 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 3f58 s THR 85 CO -0.01 0.60 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.00 3f58 s TYR 86 N -0.79 2.65 0.04 4.92 1.51 -0.90 -0.23 117.35 124.55 3f58 s TYR 86 Ca 0.12 -0.97 0.09 0.00 -1.01 0.00 0.00 57.07 55.30 3f58 s TYR 86 Cb -0.12 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3f58 s TYR 86 CO 0.02 -0.39 -0.25 0.71 -1.11 0.00 0.00 175.55 174.54 3f58 s TYR 87 N 0.41 2.16 0.02 2.71 1.51 -0.47 -1.57 117.35 122.13 3f58 s TYR 87 Ca -0.15 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 3f58 s TYR 87 Cb -0.17 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 3f58 s TYR 87 CO 0.07 0.11 0.08 0.00 -1.11 0.00 0.00 175.55 174.70 3f58 s GLN 89 N -1.97 0.11 -0.16 0.00 -0.44 0.15 -1.17 119.66 116.18 3f58 s GLN 89 Ca 0.25 0.09 -0.08 0.00 -2.50 0.00 0.00 55.36 53.12 3f58 s GLN 89 Cb -0.12 -0.28 -0.04 0.00 -1.64 0.00 0.00 33.01 30.92 3f58 s GLN 89 CO 0.17 -0.10 0.11 1.14 0.50 0.00 0.00 175.29 177.11 3f58 s GLN 90 N 0.75 3.84 -0.09 1.67 1.03 -0.99 -0.42 119.66 125.45 3f58 s GLN 90 Ca -0.07 -0.23 0.14 0.00 0.04 0.00 0.00 55.36 55.24 3f58 s GLN 90 Cb -0.10 -3.27 0.45 0.00 0.03 0.00 0.00 33.01 30.13 3f58 s GLN 90 CO -0.02 0.47 1.37 0.43 -2.54 0.00 0.00 175.29 175.00 3f58 n SER 91 N 2.96 3.58 -0.26 12.60 7.64 -0.61 -3.83 113.62 135.69 3f58 n SER 91 Ca -0.18 -2.51 -0.03 0.00 1.01 0.00 0.00 58.87 57.16 3f58 n SER 91 Cb 0.53 -0.41 0.08 0.00 -1.01 0.00 0.00 64.21 63.40 3f58 n SER 91 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3f58 h HIS 92 N 2.16 0.88 -3.91 1.43 6.17 -1.89 -3.46 115.15 116.52 3f58 h HIS 92 Ca 0.00 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 60.95 3f58 h HIS 92 Cb 1.14 -0.29 -0.09 0.00 2.52 0.00 0.00 27.41 30.69 3f58 h HIS 92 CO 0.41 0.52 -0.19 -1.83 0.71 0.00 0.00 177.93 177.55 3f58 s GLU 93 N -6.12 1.66 -0.15 5.26 -1.05 -1.26 -5.11 118.70 111.93 3f58 s GLU 93 Ca -0.13 -1.49 -0.07 0.00 -0.15 0.00 0.00 54.97 53.13 3f58 s GLU 93 Cb 0.15 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.24 3f58 s GLU 93 CO 0.77 -0.68 0.09 -0.51 0.95 0.00 0.00 175.26 175.89 3f58 s ASP 94 N -3.12 5.96 0.34 0.83 1.01 -1.26 -3.29 116.67 117.14 3f58 s ASP 94 Ca 0.27 0.26 -0.27 0.00 0.71 0.00 0.00 52.55 53.53 3f58 s ASP 94 Cb 0.00 -1.95 -0.09 0.00 1.01 0.00 0.00 42.92 41.89 3f58 s ASP 94 CO 0.14 0.29 1.04 -2.16 0.21 0.00 0.00 175.17 174.69 3f58 s PRO 95 N -0.33 4.44 0.25 8.23 0.04 -1.26 -5.01 135.00 141.35 3f58 s PRO 95 Ca 0.10 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 3f58 s PRO 95 Cb -0.12 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 3f58 s PRO 95 CO 0.01 0.09 1.32 -0.51 0.04 0.00 0.00 177.00 177.95 3f58 s LEU 96 N -2.03 4.42 0.19 -3.56 1.43 -1.21 -4.83 118.68 113.09 3f58 s LEU 96 Ca 0.51 2.51 0.09 0.00 -1.03 0.00 0.00 54.13 56.21 3f58 s LEU 96 Cb -0.25 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 3f58 s LEU 96 CO 0.32 -0.53 -0.18 0.42 0.23 0.00 0.00 176.35 176.61 3f58 s THR 97 N -0.32 1.91 0.48 5.49 -4.23 -1.25 -5.02 115.64 112.70 3f58 s THR 97 Ca 0.54 -2.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3f58 s THR 97 Cb -0.38 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 3f58 s THR 97 CO 0.43 -0.39 0.10 -0.36 -0.54 0.00 0.00 174.62 173.86 3f58 s PHE 98 N -2.34 2.09 0.43 3.99 0.40 -1.26 -2.34 117.98 118.96 3f58 s PHE 98 Ca 0.20 -0.81 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 3f58 s PHE 98 Cb -0.04 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.74 3f58 s PHE 98 CO 0.08 0.15 0.60 0.20 0.70 0.00 0.00 175.22 176.95 3f58 s GLY 99 N -3.91 1.86 0.45 4.36 0.00 -0.31 -4.41 107.32 105.36 3f58 s GLY 99 Ca 0.23 -1.54 0.25 0.00 0.00 0.00 0.00 44.72 43.66 3f58 s GLY 99 CO 0.12 -1.36 1.82 0.00 0.00 0.00 0.00 173.10 173.69 3f58 h ALA 100 N 0.55 1.00 0.00 3.20 0.00 -1.91 -3.45 119.26 118.65 3f58 h ALA 100 Ca -0.42 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3f58 h ALA 100 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3f58 h ALA 100 CO 0.48 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.37 3f58 n GLY 101 N 0.25 1.91 2.77 0.00 0.00 -1.26 -5.03 105.19 103.82 3f58 n GLY 101 Ca 0.01 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 3f58 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f58 s THR 102 N -2.84 0.44 -0.07 2.61 2.01 -0.61 -4.71 115.64 112.48 3f58 s THR 102 Ca 0.00 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3f58 s THR 102 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 3f58 s THR 102 CO 0.00 0.13 1.09 -0.75 -0.69 0.00 0.00 174.62 174.41 3f58 s LYS 103 N 1.93 4.41 -0.52 4.92 2.47 -0.37 -2.11 119.74 130.47 3f58 s LYS 103 Ca 0.03 1.53 -0.13 0.00 -1.56 0.00 0.00 55.97 55.84 3f58 s LYS 103 Cb -0.14 -3.53 0.13 0.00 -1.46 0.00 0.00 37.83 32.84 3f58 s LYS 103 CO -0.06 -0.34 0.44 -1.17 0.16 0.00 0.00 175.35 174.38 3f58 s LEU 104 N 1.93 5.98 -0.18 5.43 2.96 -0.48 -2.28 118.68 132.04 3f58 s LEU 104 Ca 0.52 -1.90 -0.12 0.00 -0.22 0.00 0.00 54.13 52.41 3f58 s LEU 104 Cb -0.22 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 3f58 s LEU 104 CO 0.21 -0.77 0.22 -1.83 -1.32 0.00 0.00 176.35 172.87 3f58 s GLU 105 N 1.41 4.23 0.21 1.98 -1.05 -0.76 -3.59 118.70 121.12 3f58 s GLU 105 Ca 0.05 -0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.53 3f58 s GLU 105 Cb -0.27 -3.43 -0.08 0.00 -0.44 0.00 0.00 34.13 29.91 3f58 s GLU 105 CO 0.01 0.26 0.99 -0.51 0.95 0.00 0.00 175.26 176.96 3f58 s LEU 106 N 0.45 4.57 0.03 1.83 1.43 -1.26 -2.33 118.68 123.39 3f58 s LEU 106 Ca 0.13 1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 55.08 3f58 s LEU 106 Cb -0.12 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3f58 s LEU 106 CO 0.01 0.00 0.41 -0.75 0.23 0.00 0.00 176.35 176.26 3f58 s LYS 107 N -0.81 3.88 0.36 1.70 2.20 0.13 -4.83 119.74 122.37 3f58 s LYS 107 Ca 0.44 0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 56.34 3f58 s LYS 107 Cb -0.27 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3f58 s LYS 107 CO 0.33 0.65 0.60 -0.98 -0.36 0.00 0.00 175.35 175.59 3f58 s ARG 108 N -1.32 2.05 0.45 4.03 1.70 -1.26 -4.39 118.95 120.21 3f58 s ARG 108 Ca 0.27 -1.64 -0.24 0.00 -0.47 0.00 0.00 55.73 53.65 3f58 s ARG 108 Cb -0.16 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 3f58 s ARG 108 CO 0.15 -0.89 1.19 0.00 -1.08 0.00 0.00 175.30 174.67 3f58 s ALA 109 N -2.75 3.02 0.59 7.88 0.00 -1.26 -4.97 121.76 124.27 3f58 s ALA 109 Ca 0.25 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 3f58 s ALA 109 Cb -0.02 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3f58 s ALA 109 CO 0.17 -0.71 1.07 -0.25 0.00 0.00 0.00 175.76 176.04 3f58 n ASP 110 N -0.37 1.24 -3.71 0.00 8.00 -1.26 -4.78 116.55 115.66 3f58 n ASP 110 Ca 0.07 0.85 -0.12 0.00 0.71 0.00 0.00 54.79 56.30 3f58 n ASP 110 Cb 0.47 -1.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.01 3f58 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f58 s ALA 111 N -1.45 -0.73 0.46 2.24 0.00 -0.90 -4.89 121.76 116.49 3f58 s ALA 111 Ca 0.75 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 53.72 3f58 s ALA 111 Cb -0.42 -0.78 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 3f58 s ALA 111 CO 0.47 -0.27 0.93 0.00 0.00 0.00 0.00 175.76 176.89 3f58 s ALA 112 N 1.43 3.11 0.71 0.00 0.00 -1.26 -1.33 121.76 124.42 3f58 s ALA 112 Ca -0.08 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 3f58 s ALA 112 Cb -0.10 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3f58 s ALA 112 CO -0.10 -0.06 1.07 -2.14 0.00 0.00 0.00 175.76 174.52 3f58 s PRO 113 N -3.71 2.77 -0.39 0.00 0.02 -1.26 -4.53 135.00 127.90 3f58 s PRO 113 Ca 0.59 1.03 -0.02 0.00 0.02 0.00 0.00 61.00 62.61 3f58 s PRO 113 Cb -0.10 -1.97 0.10 0.00 0.02 0.00 0.00 34.50 32.56 3f58 s PRO 113 CO 0.25 -1.23 0.17 0.99 -0.33 0.00 0.00 177.00 176.85 3f58 s THR 114 N -2.98 3.17 0.09 0.99 2.01 -0.82 -4.92 115.64 113.18 3f58 s THR 114 Ca 0.59 -1.99 -0.23 0.00 0.31 0.00 0.00 61.69 60.36 3f58 s THR 114 Cb -0.15 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.15 3f58 s THR 114 CO 0.54 -0.61 0.70 -0.69 -0.69 0.00 0.00 174.62 173.88 3f58 s VAL 115 N 1.14 4.63 -0.02 3.82 1.01 -1.26 -2.40 120.40 127.32 3f58 s VAL 115 Ca 0.07 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.57 3f58 s VAL 115 Cb -0.22 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.12 3f58 s VAL 115 CO -0.04 0.47 -0.02 -0.44 0.00 0.00 0.00 175.10 175.06 3f58 s SER 116 N -0.66 0.53 0.06 3.32 0.01 -0.37 -5.00 113.70 111.58 3f58 s SER 116 Ca 0.35 -0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.61 3f58 s SER 116 Cb -0.21 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 3f58 s SER 116 CO 0.22 -0.03 -0.17 -0.51 0.41 0.00 0.00 173.24 173.16 3f58 s ILE 117 N 0.55 2.85 -0.04 1.44 2.07 -1.26 -0.84 121.20 125.97 3f58 s ILE 117 Ca -0.06 -1.23 -0.00 0.00 -1.41 0.00 0.00 60.65 57.94 3f58 s ILE 117 Cb -0.09 -2.23 0.03 0.00 0.13 0.00 0.00 42.46 40.30 3f58 s ILE 117 CO -0.01 0.29 0.01 -0.36 -1.91 0.00 0.00 174.94 172.96 3f58 s PHE 118 N -0.98 0.33 0.88 3.50 0.08 0.11 -4.99 117.98 116.92 3f58 s PHE 118 Ca 0.16 0.01 -0.13 0.00 0.12 0.00 0.00 56.93 57.09 3f58 s PHE 118 Cb -0.11 -0.48 0.12 0.00 -0.57 0.00 0.00 43.02 41.98 3f58 s PHE 118 CO 0.07 -0.17 1.16 -2.14 -0.10 0.00 0.00 175.22 174.04 3f58 s PRO 119 N 1.35 1.36 0.50 0.24 0.02 -1.26 -1.50 135.00 135.71 3f58 s PRO 119 Ca -0.05 0.18 -0.20 0.00 0.02 0.00 0.00 61.00 60.95 3f58 s PRO 119 Cb -0.13 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 3f58 s PRO 119 CO -0.02 -2.02 1.05 -1.25 -0.33 0.00 0.00 177.00 174.42 3f58 s PRO 120 N -5.42 3.72 0.48 5.54 0.04 -1.26 -4.75 135.00 133.35 3f58 s PRO 120 Ca 0.64 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 3f58 s PRO 120 Cb -0.13 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3f58 s PRO 120 CO 0.52 -0.50 1.14 -1.12 0.04 0.00 0.00 177.00 177.08 3f58 s SER 121 N -2.05 6.10 0.56 6.66 0.01 -1.26 -4.91 113.70 118.82 3f58 s SER 121 Ca 0.67 2.22 0.34 0.00 1.31 0.00 0.00 55.95 60.50 3f58 s SER 121 Cb -0.17 -2.59 1.48 0.00 0.21 0.00 0.00 66.02 64.95 3f58 s SER 121 CO 0.22 -0.96 2.03 0.77 0.41 0.00 0.00 173.24 175.71 3f58 h SER 122 N 1.81 0.00 -0.29 2.44 4.64 -1.99 -1.65 113.55 118.51 3f58 h SER 122 Ca -0.49 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.65 3f58 h SER 122 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3f58 h SER 122 CO 0.59 0.02 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.73 3f58 h GLU 123 N 0.00 0.88 -0.07 4.77 3.07 -1.99 -2.51 114.58 118.73 3f58 h GLU 123 Ca -0.00 -0.54 -0.19 0.00 -0.50 0.00 0.00 59.36 58.13 3f58 h GLU 123 Cb 0.45 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3f58 h GLU 123 CO 0.00 1.17 -0.77 0.37 -1.40 0.00 0.00 179.01 178.38 3f58 h GLN 124 N 0.68 0.43 -0.83 2.33 4.15 -1.75 -3.25 115.11 116.87 3f58 h GLN 124 Ca 0.02 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3f58 h GLN 124 Cb 1.12 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 3f58 h GLN 124 CO 0.12 1.01 0.53 -0.07 -1.93 0.00 0.00 178.83 178.49 3f58 h LEU 125 N 0.28 0.96 -1.79 -2.39 3.38 -1.18 -1.75 115.31 112.82 3f58 h LEU 125 Ca -0.04 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3f58 h LEU 125 Cb 1.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3f58 h LEU 125 CO 0.13 0.71 0.19 0.71 0.09 0.00 0.00 178.44 180.27 3f58 h THR 126 N 1.13 1.01 -0.00 0.22 1.35 -1.48 0.21 112.91 115.35 3f58 h THR 126 Ca 0.30 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 3f58 h THR 126 Cb -0.11 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 3f58 h THR 126 CO -0.06 0.05 0.00 -1.54 -0.25 0.00 0.00 175.52 173.72 3f58 n SER 127 N -4.49 0.09 0.00 5.36 3.41 -0.67 -4.85 113.62 112.45 3f58 n SER 127 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3f58 n SER 127 Cb 0.14 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3f58 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f58 n GLY 128 N 0.47 0.44 3.66 5.00 0.00 0.74 -5.03 105.19 110.47 3f58 n GLY 128 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3f58 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f58 s GLY 129 N -2.00 2.48 -0.25 -0.02 0.00 -1.14 -0.87 107.32 105.52 3f58 s GLY 129 Ca 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 44.72 42.50 3f58 s GLY 129 CO 0.00 -2.05 0.46 0.00 0.00 0.00 0.00 173.10 171.51 3f58 s ALA 130 N -2.69 -1.48 -0.33 3.20 0.00 -0.55 -3.40 121.76 116.52 3f58 s ALA 130 Ca 0.36 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 3f58 s ALA 130 Cb 0.08 -1.73 0.07 0.00 0.00 0.00 0.00 23.12 21.54 3f58 s ALA 130 CO 0.19 -1.14 0.05 -1.12 0.00 0.00 0.00 175.76 173.74 3f58 s SER 131 N 2.67 4.93 -0.20 0.00 0.01 -1.26 -0.50 113.70 119.35 3f58 s SER 131 Ca 0.10 -1.60 -0.17 0.00 1.31 0.00 0.00 55.95 55.59 3f58 s SER 131 Cb -0.14 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 3f58 s SER 131 CO -0.17 -0.34 0.46 0.54 0.41 0.00 0.00 173.24 174.14 3f58 s VAL 132 N 1.16 5.15 0.16 3.43 0.11 -0.03 -4.00 120.40 126.39 3f58 s VAL 132 Ca 0.00 0.85 0.10 0.00 -2.93 0.00 0.00 61.98 60.00 3f58 s VAL 132 Cb -0.20 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 3f58 s VAL 132 CO -0.03 0.22 -0.20 0.54 -3.33 0.00 0.00 175.10 172.30 3f58 s VAL 133 N 1.43 2.66 -0.09 2.04 0.11 -0.56 -0.57 120.40 125.42 3f58 s VAL 133 Ca 0.22 -1.74 -0.02 0.00 -2.93 0.00 0.00 61.98 57.51 3f58 s VAL 133 Cb -0.15 -2.25 0.03 0.00 -1.53 0.00 0.00 36.38 32.48 3f58 s VAL 133 CO 0.09 -0.01 0.02 0.00 -3.33 0.00 0.00 175.10 171.87 3f58 s PHE 135 N 2.00 3.66 -0.37 0.00 0.08 -0.02 -1.29 117.98 122.05 3f58 s PHE 135 Ca 0.04 0.77 0.01 0.00 0.12 0.00 0.00 56.93 57.87 3f58 s PHE 135 Cb -0.13 -2.15 0.11 0.00 -0.57 0.00 0.00 43.02 40.29 3f58 s PHE 135 CO -0.05 0.66 0.15 -0.51 -0.10 0.00 0.00 175.22 175.36 3f58 s LEU 136 N -0.96 2.76 0.09 -0.37 1.02 0.70 -1.23 118.68 120.69 3f58 s LEU 136 Ca 0.20 -2.10 0.04 0.00 0.02 0.00 0.00 54.13 52.29 3f58 s LEU 136 Cb -0.14 -1.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.99 3f58 s LEU 136 CO 0.09 -0.35 0.05 0.20 0.02 0.00 0.00 176.35 176.36 3f58 s ASN 137 N 1.02 5.33 -0.91 2.29 0.01 -1.01 -0.41 114.94 121.26 3f58 s ASN 137 Ca 0.13 -0.08 -0.07 0.00 -0.71 0.00 0.00 52.86 52.13 3f58 s ASN 137 Cb -0.20 -1.37 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 3f58 s ASN 137 CO -0.13 0.17 0.75 0.59 -1.51 0.00 0.00 177.10 176.96 3f58 n ASN 138 N 0.45 -6.43 -4.31 -1.22 4.13 -0.54 -1.95 115.26 105.40 3f58 n ASN 138 Ca -0.09 -0.59 -0.19 0.00 1.68 0.00 0.00 54.58 55.38 3f58 n ASN 138 Cb 0.52 -4.13 -0.11 0.00 -1.54 0.00 0.00 39.78 34.52 3f58 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3f58 s PHE 139 N -3.19 1.65 -0.07 3.10 -0.12 0.13 -4.48 117.98 115.00 3f58 s PHE 139 Ca 0.21 -0.54 -0.05 0.00 -0.05 0.00 0.00 56.93 56.49 3f58 s PHE 139 Cb -0.06 -0.81 0.03 0.00 -0.63 0.00 0.00 43.02 41.55 3f58 s PHE 139 CO 0.80 0.28 0.18 -0.47 -0.05 0.00 0.00 175.22 175.97 3f58 s TYR 140 N -2.48 -0.21 0.86 3.49 6.14 -0.44 -0.73 117.35 123.98 3f58 s TYR 140 Ca 0.17 0.53 -0.15 0.00 0.64 0.00 0.00 57.07 58.26 3f58 s TYR 140 Cb -0.03 0.03 0.21 0.00 0.42 0.00 0.00 41.96 42.59 3f58 s TYR 140 CO 0.05 -0.13 0.92 -2.30 0.64 0.00 0.00 175.55 174.73 3f58 n PRO 141 N 3.48 -1.95 0.00 4.97 -0.02 -1.26 -2.12 135.00 138.10 3f58 n PRO 141 Ca -0.18 -1.44 0.11 0.00 -2.02 0.00 0.00 63.50 59.96 3f58 n PRO 141 Cb 0.56 -1.17 0.52 0.00 -0.02 0.00 0.00 33.50 33.39 3f58 n PRO 141 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3f58 n LYS 142 N -3.69 0.21 -2.28 -0.52 0.00 -1.26 -4.72 118.16 105.90 3f58 n LYS 142 Ca 0.12 0.10 -0.43 0.00 -0.00 0.00 0.00 58.31 58.10 3f58 n LYS 142 Cb 0.45 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.96 3f58 n LYS 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3f58 s ASP 143 N -2.71 6.58 -0.03 -5.58 1.01 -1.26 -4.96 116.67 109.71 3f58 s ASP 143 Ca 0.17 1.46 -0.23 0.00 0.71 0.00 0.00 52.55 54.66 3f58 s ASP 143 Cb 0.14 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.58 3f58 s ASP 143 CO 0.35 -1.11 0.49 -0.51 0.21 0.00 0.00 175.17 174.60 3f58 s ILE 144 N 4.60 0.03 -0.15 0.77 2.07 -1.26 -4.51 121.20 122.75 3f58 s ILE 144 Ca 0.63 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 59.65 3f58 s ILE 144 Cb -0.21 -0.81 0.01 0.00 0.13 0.00 0.00 42.46 41.59 3f58 s ILE 144 CO 0.25 -0.13 -0.21 0.21 -1.91 0.00 0.00 174.94 173.15 3f58 s ASN 145 N -1.24 3.08 -0.14 4.50 2.47 -0.60 -4.98 114.94 118.03 3f58 s ASN 145 Ca -0.12 -0.61 -0.01 0.00 0.42 0.00 0.00 52.86 52.54 3f58 s ASN 145 Cb -0.03 -1.44 -0.02 0.00 -1.45 0.00 0.00 41.25 38.32 3f58 s ASN 145 CO 0.07 0.05 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.69 3f58 s VAL 146 N 1.00 3.17 0.01 -5.21 1.01 -1.26 -0.91 120.40 118.21 3f58 s VAL 146 Ca -0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3f58 s VAL 146 Cb -0.15 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3f58 s VAL 146 CO -0.06 0.52 -0.12 -0.75 0.00 0.00 0.00 175.10 174.69 3f58 s LYS 147 N 0.38 0.85 0.04 2.72 2.47 0.01 -5.03 119.74 121.18 3f58 s LYS 147 Ca -0.10 -0.54 0.05 0.00 -1.56 0.00 0.00 55.97 53.82 3f58 s LYS 147 Cb -0.16 -0.82 -0.04 0.00 -1.46 0.00 0.00 37.83 35.36 3f58 s LYS 147 CO 0.05 0.21 -0.08 -1.58 0.16 0.00 0.00 175.35 174.11 3f58 s TRP 148 N -0.55 2.83 -0.06 4.03 0.52 -1.26 -0.87 118.94 123.58 3f58 s TRP 148 Ca 0.02 -0.09 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 3f58 s TRP 148 Cb -0.06 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.75 3f58 s TRP 148 CO 0.00 0.38 0.04 0.15 0.02 0.00 0.00 176.95 177.54 3f58 s LYS 149 N -1.69 0.19 -0.31 4.98 1.02 -0.07 -2.09 119.74 121.77 3f58 s LYS 149 Ca 0.19 0.24 -0.10 0.00 0.02 0.00 0.00 55.97 56.32 3f58 s LYS 149 Cb -0.11 -0.77 -0.01 0.00 -0.52 0.00 0.00 37.83 36.42 3f58 s LYS 149 CO 0.10 -0.34 0.16 0.42 -0.92 0.00 0.00 175.35 174.77 3f58 s ILE 150 N 2.09 4.72 -1.50 2.17 -1.09 0.27 -0.93 121.20 126.92 3f58 s ILE 150 Ca 0.05 -0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 3f58 s ILE 150 Cb -0.12 -3.40 0.07 0.00 -1.58 0.00 0.00 42.46 37.43 3f58 s ILE 150 CO -0.04 0.07 0.91 0.47 -1.23 0.00 0.00 174.94 175.12 3f58 n ASP 151 N 5.00 -3.98 0.00 3.58 8.00 -0.75 -1.51 116.55 126.89 3f58 n ASP 151 Ca -0.14 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3f58 n ASP 151 Cb 0.49 -3.84 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 3f58 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f58 n GLY 152 N -1.67 2.52 3.81 0.44 0.00 -1.26 -5.02 105.19 104.02 3f58 n GLY 152 Ca -0.03 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3f58 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f58 s SER 153 N 0.33 7.04 0.77 1.61 0.01 -0.57 -4.95 113.70 117.94 3f58 s SER 153 Ca 0.00 1.64 -0.12 0.00 1.31 0.00 0.00 55.95 58.78 3f58 s SER 153 Cb 0.00 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.78 3f58 s SER 153 CO 0.00 -0.21 1.11 -0.70 0.41 0.00 0.00 173.24 173.85 3f58 s GLU 154 N -2.71 2.14 -0.23 12.44 2.12 -1.26 -0.57 118.70 130.64 3f58 s GLU 154 Ca 0.55 1.33 -0.04 0.00 0.36 0.00 0.00 54.97 57.18 3f58 s GLU 154 Cb -0.13 -1.87 0.12 0.00 0.26 0.00 0.00 34.13 32.51 3f58 s GLU 154 CO 0.18 -1.76 0.39 0.50 -0.54 0.00 0.00 175.26 174.03 3f58 s ARG 155 N -4.60 0.34 -0.00 4.30 6.06 -0.89 -4.69 118.95 119.46 3f58 s ARG 155 Ca 0.64 0.71 0.04 0.00 -2.50 0.00 0.00 55.73 54.62 3f58 s ARG 155 Cb -0.20 -0.19 -0.05 0.00 0.06 0.00 0.00 34.95 34.57 3f58 s ARG 155 CO 0.52 -0.51 0.16 0.00 -2.50 0.00 0.00 175.30 172.98 3f58 n GLN 156 N 5.37 5.08 -2.27 5.12 -0.00 -1.26 -4.32 117.38 125.11 3f58 n GLN 156 Ca -0.05 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.52 3f58 n GLN 156 Cb 0.50 -0.73 -0.03 0.00 -0.00 0.00 0.00 30.24 29.98 3f58 n GLN 156 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3f58 s ASN 157 N -1.50 6.87 0.00 2.61 3.04 -1.26 -2.90 114.94 121.80 3f58 s ASN 157 Ca 0.01 1.98 0.00 0.00 0.04 0.00 0.00 52.86 54.90 3f58 s ASN 157 Cb 0.03 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.19 3f58 s ASN 157 CO 0.17 -0.75 0.00 0.61 -3.04 0.00 0.00 177.10 174.09 3f58 n GLY 158 N 3.69 0.75 3.80 1.21 0.00 -1.26 -4.84 105.19 108.54 3f58 n GLY 158 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3f58 n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f58 s VAL 159 N -2.85 5.07 -0.15 1.61 -7.23 -1.14 -1.67 120.40 114.03 3f58 s VAL 159 Ca 0.00 0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 61.04 3f58 s VAL 159 Cb 0.00 -3.75 0.04 0.00 0.56 0.00 0.00 36.38 33.23 3f58 s VAL 159 CO 0.00 0.50 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.49 3f58 s LEU 160 N -0.54 1.42 0.01 1.32 1.43 -0.14 -4.97 118.68 117.21 3f58 s LEU 160 Ca 0.24 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3f58 s LEU 160 Cb -0.16 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 3f58 s LEU 160 CO 0.12 -0.19 0.10 0.20 0.23 0.00 0.00 176.35 176.81 3f58 s ASN 161 N 1.70 5.80 0.01 2.29 0.01 -1.26 -1.05 114.94 122.44 3f58 s ASN 161 Ca 0.01 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 3f58 s ASN 161 Cb -0.15 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 3f58 s ASN 161 CO -0.07 0.25 -0.02 -0.55 -1.51 0.00 0.00 177.10 175.20 3f58 s SER 162 N -1.89 0.20 -0.04 -1.22 0.15 0.03 -5.00 113.70 105.93 3f58 s SER 162 Ca 0.25 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.74 3f58 s SER 162 Cb -0.12 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 3f58 s SER 162 CO 0.16 -0.11 -0.23 0.26 1.20 0.00 0.00 173.24 174.53 3f58 s TRP 163 N -0.62 2.16 0.28 3.44 0.52 -1.26 -1.81 118.94 121.65 3f58 s TRP 163 Ca -0.06 -0.57 -0.05 0.00 0.02 0.00 0.00 56.10 55.44 3f58 s TRP 163 Cb -0.04 -1.42 -0.05 0.00 -1.15 0.00 0.00 33.47 30.81 3f58 s TRP 163 CO -0.00 -0.15 0.54 0.95 0.02 0.00 0.00 176.95 178.31 3f58 s THR 164 N -0.23 5.03 1.17 2.01 -4.23 -1.13 -5.05 115.64 113.22 3f58 s THR 164 Ca 0.00 0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.39 3f58 s THR 164 Cb -0.12 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.27 3f58 s THR 164 CO 0.02 -0.29 1.08 -1.81 -0.54 0.00 0.00 174.62 173.08 3f58 s ASP 165 N -3.11 1.13 0.33 3.99 1.11 -1.26 -4.54 116.67 114.31 3f58 s ASP 165 Ca 0.44 0.85 -0.29 0.00 0.18 0.00 0.00 52.55 53.73 3f58 s ASP 165 Cb -0.11 -1.26 -0.10 0.00 1.07 0.00 0.00 42.92 42.52 3f58 s ASP 165 CO 0.29 -4.02 1.30 -1.58 1.18 0.00 0.00 175.17 172.34 3f58 s GLN 166 N -5.19 4.37 -0.04 8.23 0.74 -1.26 -4.74 119.66 121.78 3f58 s GLN 166 Ca 0.69 2.19 -0.30 0.00 0.05 0.00 0.00 55.36 58.00 3f58 s GLN 166 Cb -0.13 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 30.87 3f58 s GLN 166 CO 0.57 -0.17 1.11 0.34 -0.55 0.00 0.00 175.29 176.60 3f58 s ASP 167 N -0.51 7.16 0.00 6.67 -1.08 -0.55 -4.92 116.67 123.44 3f58 s ASP 167 Ca 0.49 1.76 0.17 0.00 -0.52 0.00 0.00 52.55 54.45 3f58 s ASP 167 Cb -0.39 -2.56 1.03 0.00 -1.46 0.00 0.00 42.92 39.54 3f58 s ASP 167 CO 0.52 -0.47 1.44 -1.54 0.52 0.00 0.00 175.17 175.64 3f58 n SER 168 N 4.69 0.00 0.00 -0.34 3.41 -1.26 -0.99 113.62 119.13 3f58 n SER 168 Ca 0.09 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3f58 n SER 168 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3f58 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3f58 n LYS 169 N -0.96 0.00 0.00 4.33 4.76 -1.26 -4.73 118.16 120.29 3f58 n LYS 169 Ca 0.13 0.05 0.12 0.00 -2.87 0.00 0.00 58.31 55.74 3f58 n LYS 169 Cb 0.06 -0.38 0.24 0.00 -1.84 0.00 0.00 35.03 33.11 3f58 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3f58 n ASP 170 N -1.99 1.82 -1.48 4.39 5.68 -1.25 -4.97 116.55 118.75 3f58 n ASP 170 Ca 0.00 -1.43 -0.14 0.00 -0.50 0.00 0.00 54.79 52.72 3f58 n ASP 170 Cb 0.00 0.18 -0.02 0.00 -1.14 0.00 0.00 41.12 40.14 3f58 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3f58 n SER 171 N 0.12 -4.48 -4.79 -1.12 7.64 -0.16 -5.01 113.62 105.81 3f58 n SER 171 Ca 0.13 0.09 -0.19 0.00 1.01 0.00 0.00 58.87 59.91 3f58 n SER 171 Cb 0.44 -3.53 0.06 0.00 -1.01 0.00 0.00 64.21 60.17 3f58 n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f58 n THR 172 N -3.61 0.00 -4.29 0.44 -2.24 -1.26 -4.69 114.28 98.63 3f58 n THR 172 Ca -0.16 -1.87 -0.19 0.00 -2.27 0.00 0.00 64.05 59.56 3f58 n THR 172 Cb 0.58 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.23 3f58 n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3f58 s TYR 173 N -2.45 1.59 0.10 4.78 2.02 0.09 -1.49 117.35 122.00 3f58 s TYR 173 Ca 0.55 -0.54 -0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3f58 s TYR 173 Cb -0.04 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 3f58 s TYR 173 CO 0.35 0.24 0.00 -1.12 -1.57 0.00 0.00 175.55 173.45 3f58 s SER 174 N -2.71 0.63 -0.24 2.29 0.01 -1.26 -0.69 113.70 111.73 3f58 s SER 174 Ca 0.14 -1.10 -0.23 0.00 1.31 0.00 0.00 55.95 56.07 3f58 s SER 174 Cb -0.04 0.21 0.06 0.00 0.21 0.00 0.00 66.02 66.46 3f58 s SER 174 CO 0.05 -0.62 0.66 -0.32 0.41 0.00 0.00 173.24 173.41 3f58 s MET 175 N -3.95 0.78 0.05 12.44 1.75 0.45 -2.82 119.30 128.00 3f58 s MET 175 Ca 0.16 0.88 0.08 0.00 -1.25 0.00 0.00 55.69 55.57 3f58 s MET 175 Cb 0.07 0.38 -0.03 0.00 2.84 0.00 0.00 34.83 38.09 3f58 s MET 175 CO -0.03 -0.10 -0.22 -1.54 -0.65 0.00 0.00 175.02 172.48 3f58 s SER 176 N 0.27 3.53 -0.08 1.11 1.04 -0.75 -0.22 113.70 118.61 3f58 s SER 176 Ca -0.01 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3f58 s SER 176 Cb -0.04 -0.46 0.02 0.00 0.10 0.00 0.00 66.02 65.64 3f58 s SER 176 CO 0.01 0.25 -0.06 -0.55 0.98 0.00 0.00 173.24 173.87 3f58 s SER 177 N -1.45 1.74 -0.15 7.02 0.15 -0.41 -0.79 113.70 119.80 3f58 s SER 177 Ca 0.14 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.57 3f58 s SER 177 Cb -0.10 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 3f58 s SER 177 CO 0.04 -0.09 -0.17 -0.89 1.20 0.00 0.00 173.24 173.33 3f58 s THR 178 N 1.41 2.45 -0.32 6.45 2.01 -0.22 -0.85 115.64 126.58 3f58 s THR 178 Ca -0.02 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 3f58 s THR 178 Cb -0.13 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 3f58 s THR 178 CO -0.04 0.52 0.17 -0.22 -0.69 0.00 0.00 174.62 174.37 3f58 s LEU 179 N 0.87 4.19 -0.21 4.42 2.96 0.26 -0.97 118.68 130.20 3f58 s LEU 179 Ca -0.05 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 3f58 s LEU 179 Cb -0.15 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3f58 s LEU 179 CO -0.02 -0.20 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.92 3f58 s THR 180 N 1.63 3.81 0.34 3.68 2.01 -0.67 -0.85 115.64 125.60 3f58 s THR 180 Ca 0.05 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.75 3f58 s THR 180 Cb -0.17 -2.74 -0.07 0.00 0.01 0.00 0.00 72.50 69.53 3f58 s THR 180 CO 0.07 0.41 0.02 -0.76 -0.69 0.00 0.00 174.62 173.67 3f58 s LEU 181 N 1.26 2.44 0.62 4.42 1.43 0.34 -4.65 118.68 124.54 3f58 s LEU 181 Ca 0.04 -1.34 -0.10 0.00 -1.03 0.00 0.00 54.13 51.69 3f58 s LEU 181 Cb -0.15 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 3f58 s LEU 181 CO 0.01 -0.51 1.01 0.42 0.23 0.00 0.00 176.35 177.50 3f58 s THR 182 N -3.07 4.30 0.19 5.49 -4.23 -1.26 -1.49 115.64 115.58 3f58 s THR 182 Ca 0.35 0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 3f58 s THR 182 Cb 0.08 -3.72 0.15 0.00 1.34 0.00 0.00 72.50 70.35 3f58 s THR 182 CO 0.16 -0.91 1.67 0.50 -0.54 0.00 0.00 174.62 175.51 3f58 h LYS 183 N -0.33 0.10 -0.06 3.99 1.63 -1.23 -1.86 116.57 118.81 3f58 h LYS 183 Ca -0.45 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3f58 h LYS 183 Cb 1.22 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 3f58 h LYS 183 CO 0.62 0.07 0.03 -0.44 -3.45 0.00 0.00 179.45 176.28 3f58 h ASP 184 N 0.10 0.08 -0.90 4.20 3.32 -1.93 -2.43 116.42 118.87 3f58 h ASP 184 Ca 0.27 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.26 3f58 h ASP 184 Cb 0.41 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.87 3f58 h ASP 184 CO -0.45 0.19 0.56 -0.08 -1.72 0.00 0.00 179.24 177.73 3f58 h GLU 185 N -0.03 0.97 -0.40 3.56 4.57 -1.86 -1.99 114.58 119.40 3f58 h GLU 185 Ca 0.02 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3f58 h GLU 185 Cb 0.13 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3f58 h GLU 185 CO -0.00 0.64 0.24 -0.92 -1.18 0.00 0.00 179.01 177.79 3f58 h TYR 186 N 1.00 0.45 0.00 0.92 3.20 -1.14 -1.92 116.97 119.48 3f58 h TYR 186 Ca 0.40 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.29 3f58 h TYR 186 Cb 0.23 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3f58 h TYR 186 CO -0.03 0.27 0.00 0.39 -1.64 0.00 0.00 178.16 177.15 3f58 n GLU 187 N -4.85 0.68 -0.94 1.82 1.02 -0.78 -3.12 120.64 114.46 3f58 n GLU 187 Ca 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3f58 n GLU 187 Cb 0.05 -1.42 0.34 0.00 -0.02 0.00 0.00 31.44 30.40 3f58 n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3f58 n ARG 188 N -0.92 4.07 -3.91 3.49 0.63 -0.72 -4.94 116.66 114.36 3f58 n ARG 188 Ca 0.14 -3.11 -0.08 0.00 -0.92 0.00 0.00 57.85 53.87 3f58 n ARG 188 Cb 0.06 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 30.73 3f58 n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3f58 s HIS 189 N -2.92 0.04 0.01 -0.14 3.76 -1.18 -5.08 115.29 109.79 3f58 s HIS 189 Ca 0.54 -0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3f58 s HIS 189 Cb 0.43 0.48 -0.00 0.00 1.11 0.00 0.00 32.58 34.60 3f58 s HIS 189 CO 0.14 -1.12 -0.00 -1.71 -0.85 0.00 0.00 174.74 171.19 3f58 n ASN 190 N -0.42 0.19 -4.72 1.40 2.85 -1.26 -4.80 115.26 108.50 3f58 n ASN 190 Ca -0.03 0.02 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 3f58 n ASN 190 Cb 0.60 -0.08 -0.03 0.00 1.24 0.00 0.00 39.78 41.51 3f58 n ASN 190 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3f58 s SER 191 N -5.12 7.19 -0.22 1.20 0.15 -1.26 -3.00 113.70 112.63 3f58 s SER 191 Ca -0.00 1.99 -0.00 0.00 0.70 0.00 0.00 55.95 58.64 3f58 s SER 191 Cb 0.00 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 3f58 s SER 191 CO 0.00 -0.35 -0.03 -0.31 1.20 0.00 0.00 173.24 173.75 3f58 s TYR 192 N 0.58 1.99 -0.11 3.44 2.02 -0.57 -1.80 117.35 122.90 3f58 s TYR 192 Ca 0.54 -1.48 0.03 0.00 -0.37 0.00 0.00 57.07 55.78 3f58 s TYR 192 Cb -0.28 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 3f58 s TYR 192 CO 0.31 -0.72 -0.20 0.99 -1.57 0.00 0.00 175.55 174.36 3f58 s THR 193 N 1.53 2.46 -0.39 -0.71 2.01 -0.11 -2.33 115.64 118.10 3f58 s THR 193 Ca -0.04 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 3f58 s THR 193 Cb -0.18 -1.98 0.06 0.00 0.01 0.00 0.00 72.50 70.42 3f58 s THR 193 CO -0.07 0.55 0.20 0.00 -0.69 0.00 0.00 174.62 174.61 3f58 s GLU 195 N 1.41 3.41 0.21 0.00 2.12 -0.05 -1.86 118.70 123.94 3f58 s GLU 195 Ca 0.02 -0.63 0.08 0.00 0.36 0.00 0.00 54.97 54.80 3f58 s GLU 195 Cb -0.22 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3f58 s GLU 195 CO 0.02 -0.04 0.01 0.00 -0.54 0.00 0.00 175.26 174.72 3f58 s ALA 196 N 1.04 3.21 -0.17 6.30 0.00 0.12 -0.81 121.76 131.45 3f58 s ALA 196 Ca 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 3f58 s ALA 196 Cb -0.15 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.08 3f58 s ALA 196 CO -0.00 0.40 0.04 0.99 0.00 0.00 0.00 175.76 177.18 3f58 s THR 197 N -1.93 0.42 0.13 0.00 2.01 -0.09 -0.26 115.64 115.91 3f58 s THR 197 Ca 0.29 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.97 3f58 s THR 197 Cb -0.08 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3f58 s THR 197 CO 0.19 -0.14 -0.17 -2.28 -0.69 0.00 0.00 174.62 171.53 3f58 s HIS 198 N 1.91 1.64 0.26 4.92 2.46 -1.26 -1.56 115.29 123.65 3f58 s HIS 198 Ca 0.00 -0.48 0.27 0.00 0.47 0.00 0.00 55.06 55.33 3f58 s HIS 198 Cb -0.16 -0.86 1.49 0.00 -0.13 0.00 0.00 32.58 32.92 3f58 s HIS 198 CO -0.08 0.22 1.81 -0.22 -2.47 0.00 0.00 174.74 174.01 3f58 h LYS 199 N 3.65 0.00 -0.01 2.88 1.63 -1.94 -2.34 116.57 120.44 3f58 h LYS 199 Ca -0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 3f58 h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 3f58 h LYS 199 CO 0.47 0.00 -0.02 0.25 -3.45 0.00 0.00 179.45 176.70 3f58 n THR 200 N -2.56 0.00 -3.81 1.00 -2.24 -1.26 -4.84 114.28 100.58 3f58 n THR 200 Ca -0.02 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3f58 n THR 200 Cb 0.18 -0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 3f58 n THR 200 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3f58 s SER 201 N -2.09 -0.18 0.10 3.42 0.01 -0.88 -4.97 113.70 109.10 3f58 s SER 201 Ca 0.41 0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.88 3f58 s SER 201 Cb 0.21 0.35 -0.13 0.00 0.21 0.00 0.00 66.02 66.66 3f58 s SER 201 CO 0.38 -0.06 1.34 0.71 0.41 0.00 0.00 173.24 176.01 3f58 h THR 202 N 4.91 1.30 -2.41 1.44 1.35 -1.88 -3.43 112.91 114.19 3f58 h THR 202 Ca -0.26 -1.80 -0.46 0.00 -0.55 0.00 0.00 66.41 63.34 3f58 h THR 202 Cb 1.20 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 3f58 h THR 202 CO 0.40 0.57 -0.32 -0.94 -0.25 0.00 0.00 175.52 174.98 3f58 s SER 203 N -6.90 6.26 0.30 5.36 1.04 -1.26 -5.08 113.70 113.42 3f58 s SER 203 Ca -0.11 0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 3f58 s SER 203 Cb 0.08 -1.85 -0.10 0.00 0.10 0.00 0.00 66.02 64.25 3f58 s SER 203 CO 0.88 -0.22 1.21 -2.84 0.98 0.00 0.00 173.24 173.25 3f58 s PRO 204 N -4.15 4.49 -0.01 4.02 0.02 -1.26 -4.85 135.00 133.26 3f58 s PRO 204 Ca 0.38 2.02 -0.27 0.00 0.02 0.00 0.00 61.00 63.15 3f58 s PRO 204 Cb -0.09 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3f58 s PRO 204 CO 0.32 -0.00 0.84 0.42 -0.33 0.00 0.00 177.00 178.25 3f58 s ILE 205 N -1.12 4.88 -0.01 2.83 1.01 0.64 -4.90 121.20 124.54 3f58 s ILE 205 Ca 0.47 1.76 0.01 0.00 0.00 0.00 0.00 60.65 62.88 3f58 s ILE 205 Cb -0.36 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 37.93 3f58 s ILE 205 CO 0.47 0.24 -0.02 0.54 0.00 0.00 0.00 174.94 176.17 3f58 s VAL 206 N 0.66 0.18 -0.03 2.92 0.11 -1.26 0.10 120.40 123.08 3f58 s VAL 206 Ca 0.44 -0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.46 3f58 s VAL 206 Cb -0.20 -0.17 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 3f58 s VAL 206 CO 0.24 0.06 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.39 3f58 s LYS 207 N 0.09 1.30 0.26 1.54 -0.14 -0.78 -5.02 119.74 116.99 3f58 s LYS 207 Ca -0.01 -0.48 -0.09 0.00 -1.36 0.00 0.00 55.97 54.04 3f58 s LYS 207 Cb -0.03 -1.19 -0.01 0.00 -1.68 0.00 0.00 37.83 34.93 3f58 s LYS 207 CO -0.00 0.22 0.42 -1.12 -0.76 0.00 0.00 175.35 174.11 3f58 s SER 208 N -0.04 0.15 -0.01 2.83 0.01 -1.26 -0.78 113.70 114.60 3f58 s SER 208 Ca -0.00 -1.13 -0.28 0.00 1.31 0.00 0.00 55.95 55.85 3f58 s SER 208 Cb -0.08 0.57 0.09 0.00 0.21 0.00 0.00 66.02 66.80 3f58 s SER 208 CO 0.01 -1.13 0.77 0.72 0.41 0.00 0.00 173.24 174.02 3f58 s PHE 209 N -3.82 -0.50 0.20 2.43 -0.12 -0.98 -5.02 117.98 110.17 3f58 s PHE 209 Ca 0.27 0.61 0.10 0.00 -0.05 0.00 0.00 56.93 57.86 3f58 s PHE 209 Cb 0.01 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 3f58 s PHE 209 CO 0.12 -0.61 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.68 3f58 s ASN 210 N -1.88 3.12 0.00 1.98 0.02 -1.26 -1.51 114.94 115.40 3f58 s ASN 210 Ca -0.02 -0.91 0.31 0.00 -1.02 0.00 0.00 52.86 51.22 3f58 s ASN 210 Cb -0.01 -0.22 1.72 0.00 0.02 0.00 0.00 41.25 42.76 3f58 s ASN 210 CO -0.02 0.03 2.12 0.54 0.02 0.00 0.00 177.10 179.79