#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f58 s VAL 2 N 0.00 3.95 -0.17 2.12 0.11 -1.26 -4.19 120.40 120.95 3f58 s VAL 2 Ca 0.00 1.61 -0.09 0.00 -2.93 0.00 0.00 61.98 60.57 3f58 s VAL 2 Cb 0.00 -4.03 0.06 0.00 -1.53 0.00 0.00 36.38 30.89 3f58 s VAL 2 CO 0.00 0.24 0.40 -1.58 -3.33 0.00 0.00 175.10 170.83 3f58 s GLN 3 N -0.04 0.37 -0.09 1.54 0.74 -0.25 -5.01 119.66 116.92 3f58 s GLN 3 Ca 0.51 0.82 -0.02 0.00 0.05 0.00 0.00 55.36 56.72 3f58 s GLN 3 Cb -0.29 0.03 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 3f58 s GLN 3 CO 0.34 -0.18 0.02 -0.51 -0.55 0.00 0.00 175.29 174.40 3f58 s LEU 4 N 1.63 3.66 -0.10 3.68 1.02 -1.26 -0.62 118.68 126.69 3f58 s LEU 4 Ca -0.08 0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.21 3f58 s LEU 4 Cb -0.09 -1.85 0.05 0.00 0.02 0.00 0.00 46.19 44.32 3f58 s LEU 4 CO -0.13 0.38 0.20 -1.58 0.02 0.00 0.00 176.35 175.24 3f58 s GLN 5 N -0.87 0.09 0.36 1.70 0.74 -0.46 -4.13 119.66 117.09 3f58 s GLN 5 Ca 0.13 0.60 -0.14 0.00 0.05 0.00 0.00 55.36 56.00 3f58 s GLN 5 Cb -0.11 -0.18 -0.08 0.00 1.10 0.00 0.00 33.01 33.73 3f58 s GLN 5 CO 0.02 -0.27 0.77 -0.65 -0.55 0.00 0.00 175.29 174.61 3f58 s GLN 6 N 2.12 3.95 -0.00 1.67 1.11 -1.26 -1.02 119.66 126.24 3f58 s GLN 6 Ca 0.00 0.66 -0.23 0.00 0.01 0.00 0.00 55.36 55.79 3f58 s GLN 6 Cb -0.12 -2.39 0.05 0.00 -1.01 0.00 0.00 33.01 29.54 3f58 s GLN 6 CO -0.07 0.07 0.52 -1.54 0.01 0.00 0.00 175.29 174.28 3f58 s SER 7 N -2.56 -0.45 0.00 5.90 1.04 -0.56 -4.86 113.70 112.21 3f58 s SER 7 Ca 0.54 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.31 3f58 s SER 7 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3f58 s SER 7 CO 0.22 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3f58 n GLY 8 N 0.79 -1.43 3.74 7.32 0.00 -1.26 -1.80 105.19 112.55 3f58 n GLY 8 Ca -0.19 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 3f58 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3f58 s PRO 9 N -1.74 2.75 -0.08 1.61 0.04 -1.26 -4.97 135.00 131.35 3f58 s PRO 9 Ca 0.00 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.12 3f58 s PRO 9 Cb 0.00 -1.91 -0.24 0.00 0.04 0.00 0.00 34.50 32.39 3f58 s PRO 9 CO 0.00 -1.43 0.52 -0.25 0.04 0.00 0.00 177.00 175.89 3f58 n ASP 10 N -1.71 1.16 -4.14 6.66 9.92 -1.26 -4.60 116.55 122.58 3f58 n ASP 10 Ca 0.15 0.32 -0.25 0.00 -0.53 0.00 0.00 54.79 54.47 3f58 n ASP 10 Cb 0.48 -0.20 -0.16 0.00 -0.64 0.00 0.00 41.12 40.60 3f58 n ASP 10 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3f58 s LEU 11 N -6.30 1.95 -0.01 0.64 0.20 -1.26 0.15 118.68 114.06 3f58 s LEU 11 Ca -0.10 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.38 3f58 s LEU 11 Cb 0.07 -0.94 0.02 0.00 -0.43 0.00 0.00 46.19 44.91 3f58 s LEU 11 CO 0.81 0.17 0.00 -0.69 -0.29 0.00 0.00 176.35 176.35 3f58 s VAL 12 N -0.12 0.06 0.33 1.68 1.01 -0.52 -4.96 120.40 117.87 3f58 s VAL 12 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 3f58 s VAL 12 Cb -0.10 -0.12 -0.10 0.00 0.00 0.00 0.00 36.38 36.06 3f58 s VAL 12 CO 0.01 0.07 0.86 -0.54 0.00 0.00 0.00 175.10 175.50 3f58 s LYS 13 N 0.55 4.33 0.59 2.72 1.02 -1.26 -1.50 119.74 126.19 3f58 s LYS 13 Ca -0.05 1.07 -0.19 0.00 0.02 0.00 0.00 55.97 56.82 3f58 s LYS 13 Cb -0.07 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 3f58 s LYS 13 CO -0.01 0.21 1.06 -2.30 -0.92 0.00 0.00 175.35 173.39 3f58 n PRO 14 N 0.16 1.05 -0.96 -1.68 -0.02 -1.26 -2.65 135.00 129.64 3f58 n PRO 14 Ca 0.02 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3f58 n PRO 14 Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3f58 n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3f58 n SER 15 N -0.85 -0.53 -4.97 2.55 7.64 0.16 -4.95 113.62 112.67 3f58 n SER 15 Ca 0.13 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.82 3f58 n SER 15 Cb 0.46 -0.36 0.04 0.00 -1.01 0.00 0.00 64.21 63.35 3f58 n SER 15 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3f58 s GLN 16 N -0.12 2.49 0.37 1.43 -0.21 -1.09 -4.40 119.66 118.13 3f58 s GLN 16 Ca 0.00 -1.24 -0.03 0.00 0.02 0.00 0.00 55.36 54.11 3f58 s GLN 16 Cb 0.00 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 3f58 s GLN 16 CO 0.00 -0.66 0.62 -1.12 -2.12 0.00 0.00 175.29 172.01 3f58 s SER 17 N -4.50 6.33 -0.14 5.90 0.01 -1.26 -2.00 113.70 118.04 3f58 s SER 17 Ca 0.59 0.66 0.01 0.00 1.31 0.00 0.00 55.95 58.51 3f58 s SER 17 Cb -0.08 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 64.04 3f58 s SER 17 CO 0.37 -0.35 -0.14 -0.22 0.41 0.00 0.00 173.24 173.31 3f58 s LEU 18 N -4.24 1.67 -0.17 2.44 1.98 0.35 -4.96 118.68 115.75 3f58 s LEU 18 Ca 0.43 -0.46 0.01 0.00 -2.89 0.00 0.00 54.13 51.22 3f58 s LEU 18 Cb -0.10 -1.14 0.01 0.00 0.66 0.00 0.00 46.19 45.62 3f58 s LEU 18 CO 0.37 -0.04 -0.18 -0.44 -1.89 0.00 0.00 176.35 174.17 3f58 s SER 19 N 1.37 3.38 0.11 3.68 0.01 -1.26 -1.31 113.70 119.67 3f58 s SER 19 Ca 0.02 -0.57 0.09 0.00 1.31 0.00 0.00 55.95 56.80 3f58 s SER 19 Cb -0.13 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 3f58 s SER 19 CO -0.08 0.04 -0.24 -0.76 0.41 0.00 0.00 173.24 172.61 3f58 s LEU 20 N 1.08 2.30 -0.04 2.44 1.43 -0.23 -4.44 118.68 121.22 3f58 s LEU 20 Ca -0.00 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.45 3f58 s LEU 20 Cb -0.14 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 3f58 s LEU 20 CO -0.06 0.12 -0.20 -0.89 0.23 0.00 0.00 176.35 175.55 3f58 s THR 21 N -1.09 1.60 -0.26 5.49 2.01 -0.74 -1.26 115.64 121.39 3f58 s THR 21 Ca 0.10 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3f58 s THR 21 Cb -0.10 -1.36 0.05 0.00 0.01 0.00 0.00 72.50 71.10 3f58 s THR 21 CO 0.05 0.46 -0.09 0.00 -0.69 0.00 0.00 174.62 174.35 3f58 s THR 23 N 1.16 5.24 -0.22 0.00 2.01 -0.19 -2.09 115.64 121.55 3f58 s THR 23 Ca -0.07 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 3f58 s THR 23 Cb -0.19 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3f58 s THR 23 CO -0.05 0.25 0.11 -0.69 -0.69 0.00 0.00 174.62 173.55 3f58 s VAL 24 N 1.49 4.92 -0.03 3.82 1.01 -0.93 -1.35 120.40 129.34 3f58 s VAL 24 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3f58 s VAL 24 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3f58 s VAL 24 CO 0.08 0.38 -0.18 -0.89 0.00 0.00 0.00 175.10 174.49 3f58 s THR 25 N 0.97 2.73 -0.85 3.92 2.01 0.21 -4.67 115.64 119.96 3f58 s THR 25 Ca 0.05 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3f58 s THR 25 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.32 3f58 s THR 25 CO 0.03 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 3f58 n GLY 26 N 2.24 0.71 3.58 4.40 0.00 -1.26 -1.09 105.19 113.76 3f58 n GLY 26 Ca -0.17 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 3f58 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f58 s TYR 27 N -2.35 -0.34 -0.10 1.61 5.04 -1.26 -4.10 117.35 115.83 3f58 s TYR 27 Ca 0.00 0.57 -0.07 0.00 -2.44 0.00 0.00 57.07 55.13 3f58 s TYR 27 Cb 0.00 0.46 -0.04 0.00 0.35 0.00 0.00 41.96 42.73 3f58 s TYR 27 CO 0.00 -0.33 0.16 0.45 -1.34 0.00 0.00 175.55 174.49 3f58 s SER 28 N -1.17 6.41 0.60 4.32 0.15 -1.26 -4.92 113.70 117.83 3f58 s SER 28 Ca -0.01 0.48 0.38 0.00 0.70 0.00 0.00 55.95 57.51 3f58 s SER 28 Cb -0.01 -2.07 1.80 0.00 -1.71 0.00 0.00 66.02 64.04 3f58 s SER 28 CO 0.01 0.39 2.15 0.16 1.20 0.00 0.00 173.24 177.14 3f58 h ILE 29 N 3.83 0.02 0.00 6.45 3.07 -1.92 -1.33 117.51 127.63 3f58 h ILE 29 Ca -0.54 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.56 3f58 h ILE 29 Cb 1.22 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 3f58 h ILE 29 CO 0.59 0.00 -0.25 0.71 -1.05 0.00 0.00 178.15 178.15 3f58 h THR 30 N 0.00 0.00 0.00 0.16 1.35 -1.93 -3.29 112.91 109.19 3f58 h THR 30 Ca -0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3f58 h THR 30 Cb 0.30 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3f58 h THR 30 CO 0.00 0.00 -0.08 0.28 -0.25 0.00 0.00 175.52 175.47 3f58 h SER 31 N 0.00 0.00 -2.27 5.36 0.02 -1.64 -3.47 113.55 111.55 3f58 h SER 31 Ca 0.00 -0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.50 3f58 h SER 31 Cb 0.77 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.34 3f58 h SER 31 CO 0.00 0.00 -0.16 -0.83 -1.14 0.00 0.00 176.83 174.71 3f58 s GLY 32 N -4.11 1.71 -0.07 -3.77 0.00 -1.23 -5.03 107.32 94.82 3f58 s GLY 32 Ca 0.07 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.34 3f58 s GLY 32 CO 0.67 -1.13 0.52 -1.82 0.00 0.00 0.00 173.10 171.34 3f58 h TYR 33 N 0.44 -0.22 -3.84 1.90 3.20 -1.90 -3.38 116.97 113.17 3f58 h TYR 33 Ca -0.44 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.31 3f58 h TYR 33 Cb 1.27 0.07 -0.16 0.00 1.54 0.00 0.00 36.73 39.45 3f58 h TYR 33 CO 0.41 0.06 -0.50 -1.12 -1.64 0.00 0.00 178.16 175.38 3f58 s SER 34 N -5.39 0.19 -0.21 -2.11 0.01 -1.20 -0.84 113.70 104.15 3f58 s SER 34 Ca -0.08 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.56 3f58 s SER 34 Cb 0.00 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.54 3f58 s SER 34 CO 0.28 -0.58 -0.02 0.26 0.41 0.00 0.00 173.24 173.59 3f58 s TRP 35 N -3.08 1.82 0.41 2.43 0.52 -0.89 -1.19 118.94 118.95 3f58 s TRP 35 Ca -0.01 -1.36 0.02 0.00 0.02 0.00 0.00 56.10 54.77 3f58 s TRP 35 Cb 0.02 -1.35 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 3f58 s TRP 35 CO -0.07 -0.70 0.60 -1.01 0.02 0.00 0.00 176.95 175.80 3f58 s HIS 35 N 1.59 3.22 -0.10 -1.98 3.76 0.34 -2.47 115.29 119.64 3f58 s HIS 35 Ca -0.03 0.12 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3f58 s HIS 35 Cb -0.18 -2.18 0.02 0.00 1.11 0.00 0.00 32.58 31.35 3f58 s HIS 35 CO -0.07 -0.22 -0.07 -1.58 -0.85 0.00 0.00 174.74 171.96 3f58 s TRP 36 N -2.43 1.34 0.03 1.40 0.52 -0.71 -1.37 118.94 117.72 3f58 s TRP 36 Ca 0.46 -0.63 0.04 0.00 0.02 0.00 0.00 56.10 55.99 3f58 s TRP 36 Cb -0.10 -1.14 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 3f58 s TRP 36 CO 0.36 -0.46 -0.11 0.42 0.02 0.00 0.00 176.95 177.18 3f58 s ILE 37 N 1.66 0.83 0.08 2.03 1.01 0.34 -0.96 121.20 126.19 3f58 s ILE 37 Ca 0.03 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.90 3f58 s ILE 37 Cb -0.13 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 3f58 s ILE 37 CO -0.07 -0.05 -0.16 0.00 0.00 0.00 0.00 174.94 174.66 3f58 s ARG 38 N -1.00 0.92 -0.17 2.79 1.70 0.00 0.05 118.95 123.24 3f58 s ARG 38 Ca -0.01 -1.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.25 3f58 s ARG 38 Cb -0.07 -1.00 0.02 0.00 -0.57 0.00 0.00 34.95 33.33 3f58 s ARG 38 CO 0.01 0.23 -0.18 -1.14 -1.08 0.00 0.00 175.30 173.13 3f58 s GLN 39 N -1.77 2.77 0.52 3.89 0.74 0.08 -0.66 119.66 125.23 3f58 s GLN 39 Ca 0.01 -0.75 -0.13 0.00 0.05 0.00 0.00 55.36 54.54 3f58 s GLN 39 Cb -0.10 -2.43 -0.06 0.00 1.10 0.00 0.00 33.01 31.52 3f58 s GLN 39 CO 0.03 -0.22 0.93 -0.06 -0.55 0.00 0.00 175.29 175.42 3f58 s PHE 40 N 1.35 3.52 0.14 1.67 0.08 -0.28 -1.61 117.98 122.85 3f58 s PHE 40 Ca 0.05 1.26 -0.32 0.00 0.12 0.00 0.00 56.93 58.04 3f58 s PHE 40 Cb -0.13 -2.65 -0.12 0.00 -0.57 0.00 0.00 43.02 39.55 3f58 s PHE 40 CO -0.12 -0.39 1.75 -0.35 -0.10 0.00 0.00 175.22 176.01 3f58 n PRO 41 N -1.91 2.61 0.00 0.24 -0.04 -1.26 -1.07 135.00 133.58 3f58 n PRO 41 Ca 0.05 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 3f58 n PRO 41 Cb 0.54 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 3f58 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f58 n GLY 42 N 4.00 1.06 2.43 0.55 0.00 -1.26 -4.69 105.19 107.28 3f58 n GLY 42 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 3f58 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f58 n ASN 43 N 0.00 -4.29 -4.67 1.61 4.13 -0.23 -4.99 115.26 106.81 3f58 n ASN 43 Ca 0.00 0.01 -0.43 0.00 1.68 0.00 0.00 54.58 55.84 3f58 n ASN 43 Cb 0.00 -1.82 -0.02 0.00 -1.54 0.00 0.00 39.78 36.40 3f58 n ASN 43 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3f58 s LYS 44 N -0.93 4.31 0.07 3.52 2.20 -1.22 -4.83 119.74 122.85 3f58 s LYS 44 Ca 0.00 1.56 -0.14 0.00 -0.36 0.00 0.00 55.97 57.04 3f58 s LYS 44 Cb 0.00 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 3f58 s LYS 44 CO 0.00 -0.55 0.46 -0.51 -0.36 0.00 0.00 175.35 174.39 3f58 s LEU 45 N 2.79 4.41 -0.04 5.43 1.43 -1.26 -1.12 118.68 130.31 3f58 s LEU 45 Ca 0.52 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 3f58 s LEU 45 Cb -0.21 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.14 3f58 s LEU 45 CO 0.16 0.22 0.03 -0.70 0.23 0.00 0.00 176.35 176.29 3f58 s GLU 46 N -1.55 0.14 0.12 1.70 2.12 0.17 -5.01 118.70 116.39 3f58 s GLU 46 Ca 0.30 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.58 3f58 s GLU 46 Cb -0.16 -0.58 -0.06 0.00 0.26 0.00 0.00 34.13 33.59 3f58 s GLU 46 CO 0.17 -0.27 1.02 -0.46 -0.54 0.00 0.00 175.26 175.17 3f58 s TRP 47 N 1.80 3.71 -0.27 5.30 -0.00 -1.26 -0.82 118.94 127.41 3f58 s TRP 47 Ca 0.01 1.70 -0.10 0.00 -0.00 0.00 0.00 56.10 57.70 3f58 s TRP 47 Cb -0.12 -3.15 -0.14 0.00 -0.00 0.00 0.00 33.47 30.06 3f58 s TRP 47 CO -0.03 -0.15 -0.28 -1.33 -0.00 0.00 0.00 176.95 175.16 3f58 n MET 48 N 2.84 0.61 -3.46 5.86 2.81 -0.14 -4.67 117.12 120.96 3f58 n MET 48 Ca 0.03 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 3f58 n MET 48 Cb 0.48 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 3f58 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f58 n GLY 49 N 1.51 -1.84 3.37 3.03 0.00 -1.14 -1.19 105.19 108.93 3f58 n GLY 49 Ca -0.51 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 3f58 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3f58 s TYR 50 N -2.18 -0.38 -0.18 1.61 -0.85 -0.63 -1.73 117.35 113.01 3f58 s TYR 50 Ca 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 3f58 s TYR 50 Cb 0.00 0.42 0.01 0.00 0.38 0.00 0.00 41.96 42.77 3f58 s TYR 50 CO 0.00 -0.78 -0.17 -1.50 -1.52 0.00 0.00 175.55 171.58 3f58 s ILE 51 N -3.75 2.28 0.60 -3.49 2.07 -1.03 -2.44 121.20 115.43 3f58 s ILE 51 Ca 0.02 -0.87 -0.17 0.00 -1.41 0.00 0.00 60.65 58.22 3f58 s ILE 51 Cb 0.00 -1.97 -0.03 0.00 0.13 0.00 0.00 42.46 40.59 3f58 s ILE 51 CO -0.12 0.52 1.12 -2.28 -1.91 0.00 0.00 174.94 172.26 3f58 s HIS 52 N 1.30 2.66 0.18 3.50 5.65 0.74 -2.10 115.29 127.23 3f58 s HIS 52 Ca 0.05 1.55 0.25 0.00 0.25 0.00 0.00 55.06 57.15 3f58 s HIS 52 Cb -0.13 -3.22 1.35 0.00 -1.18 0.00 0.00 32.58 29.39 3f58 s HIS 52 CO -0.11 -1.61 1.73 0.10 -0.65 0.00 0.00 174.74 174.20 3f58 h TYR 53 N 0.62 0.00 -0.39 3.88 -0.00 -1.18 0.44 116.97 120.35 3f58 h TYR 53 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 3f58 h TYR 53 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 3f58 h TYR 53 CO 0.53 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.56 3f58 n SER 54 N -2.46 2.19 0.00 0.10 3.41 -1.26 -4.90 113.62 110.69 3f58 n SER 54 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3f58 n SER 54 Cb 0.19 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3f58 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f58 n ALA 55 N 0.69 0.00 -1.73 7.33 0.00 0.15 -5.02 120.51 121.94 3f58 n ALA 55 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 3f58 n ALA 55 Cb 0.35 -0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.80 3f58 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f58 s GLY 56 N -2.00 1.76 0.29 0.00 0.00 -1.25 -4.77 107.32 101.36 3f58 s GLY 56 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.81 3f58 s GLY 56 CO 0.00 0.35 0.11 -0.51 0.00 0.00 0.00 173.10 173.05 3f58 s THR 57 N -2.98 0.58 -0.20 0.90 -4.23 -1.26 -0.18 115.64 108.26 3f58 s THR 57 Ca 0.58 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.96 3f58 s THR 57 Cb -0.13 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.18 3f58 s THR 57 CO 0.50 0.00 0.50 0.21 -0.54 0.00 0.00 174.62 175.29 3f58 s ASN 58 N -3.37 -0.63 0.17 3.99 2.47 -1.02 -4.98 114.94 111.56 3f58 s ASN 58 Ca 0.36 1.08 0.09 0.00 0.42 0.00 0.00 52.86 54.80 3f58 s ASN 58 Cb 0.07 0.98 -0.04 0.00 -1.45 0.00 0.00 41.25 40.80 3f58 s ASN 58 CO 0.15 -0.20 -0.18 -0.31 -3.72 0.00 0.00 177.10 172.83 3f58 s TYR 59 N 1.29 1.86 0.07 0.43 2.02 -1.26 -1.60 117.35 120.16 3f58 s TYR 59 Ca -0.08 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 55.85 3f58 s TYR 59 Cb -0.07 -0.92 -0.07 0.00 -0.40 0.00 0.00 41.96 40.50 3f58 s TYR 59 CO -0.13 0.35 1.39 1.21 -1.57 0.00 0.00 175.55 176.81 3f58 s ASN 60 N -2.73 6.84 0.45 2.29 3.84 -0.34 -4.90 114.94 120.39 3f58 s ASN 60 Ca 0.17 2.24 0.21 0.00 0.21 0.00 0.00 52.86 55.69 3f58 s ASN 60 Cb -0.06 -2.58 1.18 0.00 -0.55 0.00 0.00 41.25 39.25 3f58 s ASN 60 CO 0.07 -0.67 1.88 -0.65 -2.79 0.00 0.00 177.10 174.94 3f58 h PRO 61 N 7.21 0.29 -0.91 0.43 0.11 -1.93 -1.44 132.00 135.76 3f58 h PRO 61 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3f58 h PRO 61 Cb 1.20 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3f58 h PRO 61 CO 0.88 0.19 0.57 0.66 -0.21 0.00 0.00 178.00 180.09 3f58 h SER 62 N 0.30 1.07 0.74 -2.05 4.64 -1.98 -1.47 113.55 114.79 3f58 h SER 62 Ca 0.43 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.59 3f58 h SER 62 Cb 1.23 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 3f58 h SER 62 CO -0.13 0.80 -0.57 -0.07 -0.87 0.00 0.00 176.83 175.99 3f58 h LEU 63 N 1.24 0.00 0.00 5.97 3.38 -1.65 -3.47 115.31 120.78 3f58 h LEU 63 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3f58 h LEU 63 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3f58 h LEU 63 CO -0.07 0.57 0.00 1.17 0.09 0.00 0.00 178.44 180.20 3f58 n LYS 64 N -3.67 0.00 -0.11 1.13 0.00 -0.55 -1.84 118.16 113.12 3f58 n LYS 64 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.42 3f58 n LYS 64 Cb 0.61 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.83 3f58 n LYS 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3f58 n SER 65 N 8.57 3.16 0.07 3.14 3.41 -1.26 -4.31 113.62 126.40 3f58 n SER 65 Ca 0.00 -1.97 0.08 0.00 -0.26 0.00 0.00 58.87 56.72 3f58 n SER 65 Cb 0.00 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 3f58 n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f58 n ARG 66 N 1.36 0.62 -3.72 4.33 1.74 -0.76 -4.92 116.66 115.30 3f58 n ARG 66 Ca 0.17 0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 57.04 3f58 n ARG 66 Cb 0.59 -1.78 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 3f58 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3f58 s ILE 67 N -3.26 5.21 -0.19 0.55 2.07 -1.26 -0.85 121.20 123.48 3f58 s ILE 67 Ca -0.02 -0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.10 3f58 s ILE 67 Cb 0.10 -3.62 0.08 0.00 0.13 0.00 0.00 42.46 39.15 3f58 s ILE 67 CO 0.81 0.07 0.43 -0.55 -1.91 0.00 0.00 174.94 173.78 3f58 s SER 68 N -2.42 -0.35 -0.13 4.50 0.15 -0.31 -5.01 113.70 110.14 3f58 s SER 68 Ca 0.40 0.98 0.02 0.00 0.70 0.00 0.00 55.95 58.05 3f58 s SER 68 Cb -0.12 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 3f58 s SER 68 CO 0.25 -0.22 -0.19 -0.63 1.20 0.00 0.00 173.24 173.64 3f58 s ILE 69 N 2.28 2.38 0.27 6.45 1.01 -1.26 -1.07 121.20 131.26 3f58 s ILE 69 Ca -0.04 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3f58 s ILE 69 Cb -0.11 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 3f58 s ILE 69 CO -0.13 0.54 0.13 0.35 0.00 0.00 0.00 174.94 175.83 3f58 n THR 70 N 3.83 0.00 -4.02 2.92 -2.24 -1.18 -4.97 114.28 108.63 3f58 n THR 70 Ca -0.19 -1.69 -0.13 0.00 -2.27 0.00 0.00 64.05 59.78 3f58 n THR 70 Cb 0.52 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 3f58 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f58 s ARG 71 N -3.05 1.91 -0.30 -0.78 1.70 -1.26 -0.68 118.95 116.49 3f58 s ARG 71 Ca 0.19 -1.61 0.01 0.00 -0.47 0.00 0.00 55.73 53.85 3f58 s ARG 71 Cb 0.01 0.48 0.15 0.00 -0.57 0.00 0.00 34.95 35.02 3f58 s ARG 71 CO 0.13 -0.81 0.37 0.34 -1.08 0.00 0.00 175.30 174.25 3f58 s ASP 72 N -3.17 0.85 0.43 -2.89 -1.08 0.27 -4.95 116.67 106.14 3f58 s ASP 72 Ca 0.26 -0.60 0.13 0.00 -0.52 0.00 0.00 52.55 51.82 3f58 s ASP 72 Cb -0.01 0.88 0.96 0.00 -1.46 0.00 0.00 42.92 43.28 3f58 s ASP 72 CO 0.17 -0.36 1.99 0.71 0.52 0.00 0.00 175.17 178.20 3f58 h THR 73 N 6.11 1.13 -0.11 1.71 1.35 -1.97 -0.65 112.91 120.47 3f58 h THR 73 Ca -0.09 -0.57 -0.13 0.00 -0.55 0.00 0.00 66.41 65.07 3f58 h THR 73 Cb 1.10 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 3f58 h THR 73 CO 0.28 0.17 -0.50 0.77 -0.25 0.00 0.00 175.52 175.99 3f58 h SER 74 N 0.11 0.33 -0.01 5.36 4.64 -1.96 -3.10 113.55 118.93 3f58 h SER 74 Ca 0.02 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3f58 h SER 74 Cb 0.27 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3f58 h SER 74 CO 0.02 0.78 -0.71 0.29 -0.87 0.00 0.00 176.83 176.33 3f58 n LYS 75 N -3.96 0.75 -3.21 4.77 4.76 -1.13 -5.00 118.16 115.14 3f58 n LYS 75 Ca -0.02 -0.50 -0.14 0.00 -2.87 0.00 0.00 58.31 54.78 3f58 n LYS 75 Cb 0.55 -1.46 0.08 0.00 -1.84 0.00 0.00 35.03 32.35 3f58 n LYS 75 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3f58 n ASN 76 N -0.75 -2.17 -3.95 4.39 5.15 -0.30 -4.86 115.26 112.77 3f58 n ASN 76 Ca 0.06 -0.53 -0.12 0.00 -0.60 0.00 0.00 54.58 53.40 3f58 n ASN 76 Cb 0.39 -4.44 -0.13 0.00 -0.53 0.00 0.00 39.78 35.07 3f58 n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3f58 s GLN 77 N -5.12 0.25 0.01 1.20 -0.21 -0.91 -2.18 119.66 112.69 3f58 s GLN 77 Ca 0.01 -0.34 0.08 0.00 0.02 0.00 0.00 55.36 55.13 3f58 s GLN 77 Cb -0.00 -0.07 -0.02 0.00 1.00 0.00 0.00 33.01 33.92 3f58 s GLN 77 CO 0.62 0.01 -0.24 -0.59 -2.12 0.00 0.00 175.29 172.96 3f58 s PHE 78 N -0.71 2.17 0.36 0.91 -0.71 -0.89 -0.56 117.98 118.56 3f58 s PHE 78 Ca -0.07 -0.41 0.08 0.00 -1.04 0.00 0.00 56.93 55.50 3f58 s PHE 78 Cb -0.05 -1.36 -0.04 0.00 -1.21 0.00 0.00 43.02 40.36 3f58 s PHE 78 CO -0.00 0.03 0.20 -0.06 -1.34 0.00 0.00 175.22 174.05 3f58 s PHE 79 N -0.67 2.72 -0.04 3.49 0.08 0.14 -1.41 117.98 122.29 3f58 s PHE 79 Ca 0.10 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.73 3f58 s PHE 79 Cb -0.09 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3f58 s PHE 79 CO 0.00 0.22 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.18 3f58 s LEU 80 N -3.92 1.07 -0.06 -0.37 2.96 -0.39 -3.09 118.68 114.87 3f58 s LEU 80 Ca 0.40 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3f58 s LEU 80 Cb -0.02 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.42 3f58 s LEU 80 CO 0.24 -0.11 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.45 3f58 s GLN 81 N 1.17 1.76 -0.12 1.98 0.74 -0.23 -1.07 119.66 123.89 3f58 s GLN 81 Ca -0.08 -0.45 0.01 0.00 0.05 0.00 0.00 55.36 54.89 3f58 s GLN 81 Cb -0.13 -1.45 0.02 0.00 1.10 0.00 0.00 33.01 32.55 3f58 s GLN 81 CO -0.02 0.05 -0.12 -1.17 -0.55 0.00 0.00 175.29 173.48 3f58 s LEU 82 N 0.60 1.51 0.17 3.68 2.96 -0.43 -1.16 118.68 126.01 3f58 s LEU 82 Ca -0.14 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3f58 s LEU 82 Cb -0.16 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 3f58 s LEU 82 CO 0.04 -0.05 0.36 0.20 -1.32 0.00 0.00 176.35 175.58 3f58 s ASN 82 N 1.37 6.41 -1.19 3.68 -0.87 -0.03 -0.50 114.94 123.82 3f58 s ASN 82 Ca 0.00 0.43 -0.08 0.00 -1.57 0.00 0.00 52.86 51.64 3f58 s ASN 82 Cb -0.13 -2.02 -0.02 0.00 -0.02 0.00 0.00 41.25 39.05 3f58 s ASN 82 CO -0.06 0.01 0.79 -1.20 -2.57 0.00 0.00 177.10 174.07 3f58 n SER 82 N -0.33 -3.78 -4.77 -1.22 7.64 -1.18 -4.84 113.62 105.16 3f58 n SER 82 Ca -0.04 -0.85 -0.33 0.00 1.01 0.00 0.00 58.87 58.66 3f58 n SER 82 Cb 0.53 -4.17 0.06 0.00 -1.01 0.00 0.00 64.21 59.61 3f58 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3f58 s VAL 82 N -3.53 3.17 0.32 0.44 -7.23 -0.85 -4.69 120.40 108.04 3f58 s VAL 82 Ca 0.26 0.52 0.05 0.00 -1.81 0.00 0.00 61.98 60.99 3f58 s VAL 82 Cb -0.07 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 3f58 s VAL 82 CO 0.81 -0.36 0.22 0.42 -0.31 0.00 0.00 175.10 175.87 3f58 s THR 83 N -2.40 0.15 0.50 5.32 -4.23 -1.26 -0.66 115.64 113.06 3f58 s THR 83 Ca 0.67 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.33 3f58 s THR 83 Cb -0.21 -2.48 0.25 0.00 1.34 0.00 0.00 72.50 71.41 3f58 s THR 83 CO 0.44 0.00 2.11 0.71 -0.54 0.00 0.00 174.62 177.34 3f58 h THR 84 N 2.15 1.03 0.00 3.99 1.35 -1.98 -1.11 112.91 118.34 3f58 h THR 84 Ca -0.29 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3f58 h THR 84 Cb 1.24 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3f58 h THR 84 CO 0.44 0.05 0.00 -1.84 -0.25 0.00 0.00 175.52 173.92 3f58 n GLU 85 N -4.48 0.70 -0.12 4.72 0.28 -1.26 -1.85 120.64 118.62 3f58 n GLU 85 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.04 3f58 n GLU 85 Cb 0.13 -1.01 0.13 0.00 1.43 0.00 0.00 31.44 32.12 3f58 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3f58 n ASP 86 N -0.48 2.72 -4.68 -1.84 8.00 -0.42 -4.95 116.55 114.89 3f58 n ASP 86 Ca 0.00 -1.81 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 3f58 n ASP 86 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 3f58 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3f58 s THR 87 N -1.07 4.22 0.03 -3.53 2.01 -0.77 -4.82 115.64 111.71 3f58 s THR 87 Ca 0.23 1.54 -0.27 0.00 0.31 0.00 0.00 61.69 63.50 3f58 s THR 87 Cb 0.14 -3.99 0.09 0.00 0.01 0.00 0.00 72.50 68.75 3f58 s THR 87 CO 0.19 -0.02 1.23 0.00 -0.69 0.00 0.00 174.62 175.32 3f58 s ALA 88 N 2.43 -2.26 -0.24 7.40 0.00 -0.82 -4.60 121.76 123.67 3f58 s ALA 88 Ca 0.56 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 3f58 s ALA 88 Cb -0.25 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 3f58 s ALA 88 CO 0.21 -1.13 0.11 0.99 0.00 0.00 0.00 175.76 175.95 3f58 s THR 89 N -2.08 4.87 -0.07 0.00 2.01 -0.63 -1.57 115.64 118.16 3f58 s THR 89 Ca 0.27 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 3f58 s THR 89 Cb -0.01 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3f58 s THR 89 CO 0.00 0.35 0.17 -0.31 -0.69 0.00 0.00 174.62 174.15 3f58 s TYR 90 N 1.22 3.59 0.01 4.92 1.51 -0.64 -0.74 117.35 127.22 3f58 s TYR 90 Ca 0.06 0.49 0.04 0.00 -1.01 0.00 0.00 57.07 56.64 3f58 s TYR 90 Cb -0.14 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 3f58 s TYR 90 CO 0.05 0.70 -0.11 0.71 -1.11 0.00 0.00 175.55 175.78 3f58 s TYR 91 N -1.15 0.98 -0.10 2.71 2.02 0.11 -1.61 117.35 120.31 3f58 s TYR 91 Ca 0.20 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 3f58 s TYR 91 Cb -0.12 -0.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 3f58 s TYR 91 CO 0.10 -0.00 -0.18 0.00 -1.57 0.00 0.00 175.55 173.89 3f58 s ALA 93 N 0.16 1.92 -0.09 0.00 0.00 -0.47 -1.82 121.76 121.46 3f58 s ALA 93 Ca -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.07 3f58 s ALA 93 Cb -0.16 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3f58 s ALA 93 CO 0.06 -0.21 -0.07 0.50 0.00 0.00 0.00 175.76 176.04 3f58 s ARG 94 N -3.83 2.95 -0.17 0.00 3.52 -0.35 -0.51 118.95 120.56 3f58 s ARG 94 Ca 0.28 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 55.26 3f58 s ARG 94 Cb 0.05 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 3f58 s ARG 94 CO 0.09 0.55 0.05 -2.00 -0.81 0.00 0.00 175.30 173.19 3f58 s GLU 95 N -0.51 3.90 0.12 5.12 2.12 -0.34 -1.87 118.70 127.24 3f58 s GLU 95 Ca 0.08 -0.36 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 3f58 s GLU 95 Cb -0.12 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 3f58 s GLU 95 CO 0.02 0.30 0.11 -2.00 -0.54 0.00 0.00 175.26 173.14 3f58 s GLU 96 N 0.29 0.92 -0.33 4.30 2.56 -0.15 -3.24 118.70 123.04 3f58 s GLU 96 Ca 0.03 -1.29 -0.29 0.00 0.00 0.00 0.00 54.97 53.42 3f58 s GLU 96 Cb -0.12 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.29 3f58 s GLU 96 CO 0.01 -0.27 1.26 0.00 -0.56 0.00 0.00 175.26 175.70 3f58 s ALA 97 N -3.99 3.32 -0.43 6.30 0.00 -1.26 -1.24 121.76 124.47 3f58 s ALA 97 Ca 0.17 -0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 3f58 s ALA 97 Cb 0.06 -3.79 0.03 0.00 0.00 0.00 0.00 23.12 19.42 3f58 s ALA 97 CO -0.02 -1.85 0.50 -1.64 0.00 0.00 0.00 175.76 172.75 3f58 s MET 98 N 4.21 3.13 -0.26 0.00 -1.94 -1.26 -4.97 119.30 118.22 3f58 s MET 98 Ca 0.54 -0.70 -0.29 0.00 -1.71 0.00 0.00 55.69 53.54 3f58 s MET 98 Cb -0.15 -3.98 -0.02 0.00 2.01 0.00 0.00 34.83 32.69 3f58 s MET 98 CO 0.24 -0.93 1.70 -1.25 -0.01 0.00 0.00 175.02 174.77 3f58 s PRO 99 N 2.33 3.62 0.27 2.03 0.04 -1.26 -4.79 135.00 137.24 3f58 s PRO 99 Ca 0.15 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.81 3f58 s PRO 99 Cb -0.17 -4.10 -0.06 0.00 0.04 0.00 0.00 34.50 30.21 3f58 s PRO 99 CO 0.14 -1.51 0.06 1.52 0.04 0.00 0.00 177.00 177.26 3f58 s TYR 100 N 5.85 1.67 0.00 0.56 1.13 -0.78 -4.98 117.35 120.80 3f58 s TYR 100 Ca 0.75 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.36 3f58 s TYR 100 Cb -0.24 -1.02 0.00 0.00 -1.10 0.00 0.00 41.96 39.59 3f58 s TYR 100 CO 0.31 -0.16 0.00 0.41 -2.51 0.00 0.00 175.55 173.60 3f58 n GLY 100 N -0.52 0.88 3.14 5.49 0.00 -1.26 -2.32 105.19 110.59 3f58 n GLY 100 Ca -0.02 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3f58 n GLY 100 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3f58 n ASN 100 N -2.86 4.61 -3.05 1.61 5.15 -1.26 -4.48 115.26 114.98 3f58 n ASN 100 Ca 0.00 -2.93 -0.06 0.00 -0.60 0.00 0.00 54.58 50.99 3f58 n ASN 100 Cb 0.00 -1.65 0.03 0.00 -0.53 0.00 0.00 39.78 37.63 3f58 n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3f58 n GLN 100 N 6.45 -1.64 0.00 1.20 1.13 -1.25 -5.28 117.38 118.00 3f58 n GLN 100 Ca 0.47 1.16 0.00 0.00 -1.94 0.00 0.00 57.00 56.69 3f58 n GLN 100 Cb 0.41 -5.54 0.00 0.00 0.11 0.00 0.00 30.24 25.22 3f58 n GLN 100 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f58 n ALA 100 N -2.36 0.00 -3.75 -1.58 0.00 -0.98 -5.04 120.51 106.80 3f58 n ALA 100 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 3f58 n ALA 100 Cb 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.83 3f58 n ALA 100 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3f58 s TYR 100 N -1.26 1.58 0.02 0.00 2.02 -1.26 -1.88 117.35 116.58 3f58 s TYR 100 Ca 0.00 -0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 55.95 3f58 s TYR 100 Cb 0.00 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3f58 s TYR 100 CO 0.00 -0.45 -0.01 0.00 -1.57 0.00 0.00 175.55 173.52 3f58 s ALA 100 N 1.28 0.12 -0.85 3.71 0.00 -0.37 -4.90 121.76 120.75 3f58 s ALA 100 Ca -0.02 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 3f58 s ALA 100 Cb -0.14 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.21 3f58 s ALA 100 CO -0.04 -0.19 1.24 -1.64 0.00 0.00 0.00 175.76 175.12 3f58 s MET 100 N -1.77 3.38 0.03 0.00 1.00 -1.26 -0.98 119.30 119.70 3f58 s MET 100 Ca -0.13 -0.95 0.19 0.00 0.00 0.00 0.00 55.69 54.81 3f58 s MET 100 Cb -0.07 -4.71 -0.17 0.00 0.00 0.00 0.00 34.83 29.87 3f58 s MET 100 CO -0.02 -2.02 0.67 -0.40 0.00 0.00 0.00 175.02 173.25 3f58 n ASP 101 N 8.31 0.54 -3.98 3.03 5.75 -0.78 -4.88 116.55 124.54 3f58 n ASP 101 Ca 0.15 0.23 -0.30 0.00 -0.01 0.00 0.00 54.79 54.86 3f58 n ASP 101 Cb 0.49 0.75 -0.16 0.00 -1.03 0.00 0.00 41.12 41.16 3f58 n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f58 s TRP 103 N 1.51 2.82 0.83 0.00 0.52 -1.26 -1.21 118.94 122.15 3f58 s TRP 103 Ca 0.02 -0.23 -0.06 0.00 0.02 0.00 0.00 56.10 55.85 3f58 s TRP 103 Cb -0.14 -1.38 0.17 0.00 -1.15 0.00 0.00 33.47 30.97 3f58 s TRP 103 CO -0.09 0.51 1.13 0.20 0.02 0.00 0.00 176.95 178.72 3f58 s GLY 104 N -3.78 1.77 0.30 0.98 0.00 -0.76 -4.63 107.32 101.21 3f58 s GLY 104 Ca 0.34 -1.68 0.13 0.00 0.00 0.00 0.00 44.72 43.50 3f58 s GLY 104 CO 0.22 -0.99 1.63 1.46 0.00 0.00 0.00 173.10 175.42 3f58 h GLN 105 N -0.99 0.00 0.00 2.90 4.20 -1.92 -3.46 115.11 115.84 3f58 h GLN 105 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 3f58 h GLN 105 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3f58 h GLN 105 CO 0.35 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 179.48 3f58 n GLY 106 N 0.31 1.40 3.05 3.46 0.00 -1.26 -5.05 105.19 107.09 3f58 n GLY 106 Ca -0.01 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 3f58 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3f58 s THR 107 N -2.04 1.25 0.10 2.61 -1.32 -0.63 -4.91 115.64 110.71 3f58 s THR 107 Ca 0.00 -0.55 -0.30 0.00 -1.21 0.00 0.00 61.69 59.63 3f58 s THR 107 Cb 0.00 -1.13 -0.06 0.00 -1.51 0.00 0.00 72.50 69.80 3f58 s THR 107 CO 0.00 0.38 0.98 -0.89 -2.21 0.00 0.00 174.62 172.88 3f58 s THR 108 N 0.60 4.48 -0.10 5.08 2.01 -1.26 -1.63 115.64 124.83 3f58 s THR 108 Ca -0.15 2.02 0.00 0.00 0.31 0.00 0.00 61.69 63.88 3f58 s THR 108 Cb -0.16 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.08 3f58 s THR 108 CO 0.04 0.29 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 3f58 s VAL 109 N 0.12 1.03 -0.15 3.82 1.01 -0.61 -4.47 120.40 121.15 3f58 s VAL 109 Ca 0.48 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3f58 s VAL 109 Cb -0.24 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3f58 s VAL 109 CO 0.30 0.36 -0.08 -0.89 0.00 0.00 0.00 175.10 174.79 3f58 s THR 110 N 1.38 3.43 -0.35 3.92 2.01 0.12 -1.94 115.64 124.21 3f58 s THR 110 Ca -0.01 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 61.38 3f58 s THR 110 Cb -0.14 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 69.92 3f58 s THR 110 CO -0.04 0.50 0.16 -0.69 -0.69 0.00 0.00 174.62 173.86 3f58 s VAL 111 N 0.49 4.31 0.05 3.82 1.01 -1.26 -1.44 120.40 127.39 3f58 s VAL 111 Ca -0.06 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 3f58 s VAL 111 Cb -0.15 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 32.93 3f58 s VAL 111 CO 0.04 -0.17 0.73 -0.55 0.00 0.00 0.00 175.10 175.15 3f58 s SER 112 N 1.51 -0.50 -0.02 3.32 0.15 -0.57 -4.36 113.70 113.23 3f58 s SER 112 Ca 0.01 0.14 -0.21 0.00 0.70 0.00 0.00 55.95 56.59 3f58 s SER 112 Cb -0.19 0.50 -0.27 0.00 -1.71 0.00 0.00 66.02 64.35 3f58 s SER 112 CO 0.05 -0.76 1.01 0.28 1.20 0.00 0.00 173.24 175.02 3f58 h SER 113 N 2.20 0.49 -0.48 5.45 0.02 -1.96 -3.36 113.55 115.91 3f58 h SER 113 Ca -0.28 -0.85 -0.34 0.00 -0.84 0.00 0.00 61.79 59.48 3f58 h SER 113 Cb 1.25 -0.16 0.05 0.00 0.14 0.00 0.00 62.40 63.68 3f58 h SER 113 CO 0.35 1.29 -0.18 0.00 -1.14 0.00 0.00 176.83 177.15 3f58 n ALA 114 N -2.62 -1.94 -1.81 3.77 0.00 -1.26 -4.91 120.51 111.73 3f58 n ALA 114 Ca -0.12 0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 3f58 n ALA 114 Cb 0.74 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 3f58 n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3f58 s LYS 115 N -0.36 4.21 0.30 0.00 2.47 -1.26 -5.02 119.74 120.07 3f58 s LYS 115 Ca 0.34 1.20 -0.29 0.00 -1.56 0.00 0.00 55.97 55.66 3f58 s LYS 115 Cb -0.49 -2.26 -0.10 0.00 -1.46 0.00 0.00 37.83 33.51 3f58 s LYS 115 CO 0.27 -0.06 1.39 0.99 0.16 0.00 0.00 175.35 178.11 3f58 s THR 116 N -2.06 2.62 -0.02 3.43 2.01 -1.26 -4.76 115.64 115.61 3f58 s THR 116 Ca 0.61 0.57 0.00 0.00 0.31 0.00 0.00 61.69 63.18 3f58 s THR 116 Cb -0.12 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.05 3f58 s THR 116 CO 0.16 0.11 0.02 -0.89 -0.69 0.00 0.00 174.62 173.33 3f58 s THR 117 N -0.59 -0.00 0.48 -0.82 2.01 0.11 -4.92 115.64 111.90 3f58 s THR 117 Ca 0.54 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 62.48 3f58 s THR 117 Cb -0.41 -0.10 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 3f58 s THR 117 CO 0.49 0.08 1.07 -2.84 -0.69 0.00 0.00 174.62 172.73 3f58 s PRO 118 N 0.81 3.77 0.50 4.92 0.02 -1.26 -1.70 135.00 142.07 3f58 s PRO 118 Ca -0.07 1.47 -0.10 0.00 0.02 0.00 0.00 61.00 62.32 3f58 s PRO 118 Cb -0.10 -2.18 -0.05 0.00 0.02 0.00 0.00 34.50 32.19 3f58 s PRO 118 CO -0.02 -0.47 0.87 -1.25 -0.33 0.00 0.00 177.00 175.80 3f58 s PRO 119 N -3.07 3.69 -0.20 5.54 0.04 -1.26 -4.30 135.00 135.45 3f58 s PRO 119 Ca 0.66 0.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 3f58 s PRO 119 Cb -0.20 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 3f58 s PRO 119 CO 0.24 -0.25 -0.06 -1.12 0.04 0.00 0.00 177.00 175.85 3f58 s SER 120 N -3.67 4.25 -0.17 6.66 0.01 0.27 -4.91 113.70 116.14 3f58 s SER 120 Ca 0.52 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.33 3f58 s SER 120 Cb -0.10 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 3f58 s SER 120 CO 0.41 0.02 0.10 -0.69 0.41 0.00 0.00 173.24 173.49 3f58 s VAL 121 N 1.25 5.17 -0.06 3.43 1.01 -1.26 -0.61 120.40 129.34 3f58 s VAL 121 Ca 0.03 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3f58 s VAL 121 Cb -0.14 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3f58 s VAL 121 CO -0.02 0.49 -0.16 -0.31 0.00 0.00 0.00 175.10 175.11 3f58 s TYR 122 N -0.01 1.73 0.38 5.22 2.02 0.17 -4.95 117.35 121.91 3f58 s TYR 122 Ca 0.08 -0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 55.93 3f58 s TYR 122 Cb -0.12 -1.21 -0.09 0.00 -0.40 0.00 0.00 41.96 40.14 3f58 s TYR 122 CO 0.00 -0.27 1.01 -1.25 -1.57 0.00 0.00 175.55 173.47 3f58 s PRO 123 N 0.41 4.28 -0.59 -1.71 0.04 -1.26 -0.70 135.00 135.48 3f58 s PRO 123 Ca -0.12 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.37 3f58 s PRO 123 Cb -0.15 -2.56 0.15 0.00 0.04 0.00 0.00 34.50 31.98 3f58 s PRO 123 CO 0.04 -0.01 0.35 -0.51 0.04 0.00 0.00 177.00 176.91 3f58 s LEU 124 N -2.56 4.55 0.09 -3.56 1.43 0.75 -4.88 118.68 114.51 3f58 s LEU 124 Ca 0.56 -3.28 -0.12 0.00 -1.03 0.00 0.00 54.13 50.26 3f58 s LEU 124 Cb -0.19 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 3f58 s LEU 124 CO 0.25 -0.19 0.46 0.00 0.23 0.00 0.00 176.35 177.09 3f58 s ALA 125 N -0.67 3.67 0.30 4.21 0.00 -1.26 -2.25 121.76 125.77 3f58 s ALA 125 Ca 0.20 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 3f58 s ALA 125 Cb -0.19 -2.38 -0.11 0.00 0.00 0.00 0.00 23.12 20.44 3f58 s ALA 125 CO -0.06 0.51 1.54 -2.14 0.00 0.00 0.00 175.76 175.62 3f58 s PRO 126 N -1.81 4.15 0.41 0.00 0.02 -1.26 -4.87 135.00 131.65 3f58 s PRO 126 Ca 0.33 2.52 0.27 0.00 0.02 0.00 0.00 61.00 64.14 3f58 s PRO 126 Cb -0.15 -3.03 0.82 0.00 0.02 0.00 0.00 34.50 32.16 3f58 s PRO 126 CO 0.18 -0.56 1.77 0.78 -0.33 0.00 0.00 177.00 178.84 3f58 h GLY 127 N 4.50 0.00 -1.50 0.52 0.00 -1.96 -3.40 103.07 101.23 3f58 h GLY 127 Ca -0.48 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.36 3f58 h GLY 127 CO 0.76 0.00 0.39 -1.35 0.00 0.00 0.00 176.54 176.34 3f58 s SER 128 N -5.51 5.98 0.00 0.19 1.04 -1.26 -4.92 113.70 109.21 3f58 s SER 128 Ca 0.05 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.07 3f58 s SER 128 Cb 0.08 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3f58 s SER 128 CO 0.58 -1.03 1.19 0.00 0.98 0.00 0.00 173.24 174.95 3f58 n ALA 129 N -2.48 2.85 -0.83 5.32 0.00 -1.26 -4.71 120.51 119.39 3f58 n ALA 129 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3f58 n ALA 129 Cb 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3f58 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f58 n ALA 130 N 0.95 0.00 -1.92 0.00 0.00 -1.26 -4.88 120.51 113.39 3f58 n ALA 130 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3f58 n ALA 130 Cb 0.43 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 3f58 n ALA 130 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f58 s GLN 133 N -1.58 2.38 0.00 0.00 -1.52 -1.26 -4.26 119.66 113.41 3f58 s GLN 133 Ca 0.00 0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.66 3f58 s GLN 133 Cb 0.00 -4.78 0.00 0.00 -0.22 0.00 0.00 33.01 28.01 3f58 s GLN 133 CO 0.00 -3.36 0.00 2.41 -0.25 0.00 0.00 175.29 174.09 3f58 n THR 134 N 7.85 0.00 0.00 -0.19 -1.04 -1.26 -5.15 114.28 114.49 3f58 n THR 134 Ca 0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 3f58 n THR 134 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 3f58 n THR 134 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3f58 n ASN 135 N 0.00 0.00 0.00 8.00 5.15 -1.26 -5.13 115.26 122.02 3f58 n ASN 135 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3f58 n ASN 135 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3f58 n ASN 135 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3f58 n SER 136 N 0.00 0.00 -4.87 1.20 2.88 -1.26 -4.63 113.62 106.94 3f58 n SER 136 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 3f58 n SER 136 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3f58 n SER 136 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3f58 s MET 137 N 0.00 2.49 -0.01 -1.46 -1.94 -1.26 -1.79 119.30 115.32 3f58 s MET 137 Ca 0.00 -1.59 -0.01 0.00 -1.71 0.00 0.00 55.69 52.38 3f58 s MET 137 Cb 0.00 -2.33 0.01 0.00 2.01 0.00 0.00 34.83 34.51 3f58 s MET 137 CO 0.00 -0.22 0.03 0.54 -0.01 0.00 0.00 175.02 175.36 3f58 s VAL 138 N -2.50 -0.01 -0.14 -6.03 0.11 0.14 -4.72 120.40 107.25 3f58 s VAL 138 Ca 0.47 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.53 3f58 s VAL 138 Cb -0.03 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.74 3f58 s VAL 138 CO 0.27 0.01 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.10 3f58 s THR 139 N 0.17 3.69 0.35 5.04 2.01 -1.26 -0.78 115.64 124.85 3f58 s THR 139 Ca -0.01 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.62 3f58 s THR 139 Cb -0.02 -2.59 -0.07 0.00 0.01 0.00 0.00 72.50 69.83 3f58 s THR 139 CO -0.00 0.51 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.66 3f58 s LEU 140 N 0.25 2.62 0.19 4.42 1.02 -0.24 -4.54 118.68 122.40 3f58 s LEU 140 Ca -0.04 -1.30 -0.24 0.00 0.02 0.00 0.00 54.13 52.57 3f58 s LEU 140 Cb -0.14 -0.76 0.05 0.00 0.02 0.00 0.00 46.19 45.36 3f58 s LEU 140 CO 0.03 -0.41 0.88 -0.83 0.02 0.00 0.00 176.35 176.05 3f58 s GLY 141 N -3.58 -0.19 -0.04 -3.19 0.00 -0.95 -0.96 107.32 98.41 3f58 s GLY 141 Ca 0.34 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 45.09 3f58 s GLY 141 CO 0.16 -0.02 -0.15 0.00 0.00 0.00 0.00 173.10 173.09 3f58 s LEU 143 N 0.12 3.35 -0.27 0.00 2.96 0.13 -2.13 118.68 122.82 3f58 s LEU 143 Ca -0.04 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3f58 s LEU 143 Cb -0.11 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.73 3f58 s LEU 143 CO 0.02 -0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.29 3f58 s VAL 144 N 1.58 2.91 0.05 1.68 1.01 -0.13 0.45 120.40 127.96 3f58 s VAL 144 Ca 0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 3f58 s VAL 144 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3f58 s VAL 144 CO 0.02 0.06 0.00 -1.59 0.00 0.00 0.00 175.10 173.59 3f58 s LYS 145 N 1.29 0.60 -0.32 2.72 -2.85 0.22 -0.98 119.74 120.42 3f58 s LYS 145 Ca -0.03 -1.08 -0.00 0.00 -1.00 0.00 0.00 55.97 53.86 3f58 s LYS 145 Cb -0.18 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 3f58 s LYS 145 CO -0.03 -0.12 0.27 0.41 0.10 0.00 0.00 175.35 175.98 3f58 n GLY 146 N 0.33 0.26 3.27 0.59 0.00 -0.16 -0.57 105.19 108.91 3f58 n GLY 146 Ca -0.16 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 3f58 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3f58 s TYR 147 N -3.09 1.41 -0.25 1.61 1.13 -1.15 -4.17 117.35 112.84 3f58 s TYR 147 Ca 0.02 -0.63 -0.23 0.00 -1.41 0.00 0.00 57.07 54.82 3f58 s TYR 147 Cb -0.01 -0.71 0.07 0.00 -1.10 0.00 0.00 41.96 40.21 3f58 s TYR 147 CO 0.19 0.17 0.67 0.12 -2.51 0.00 0.00 175.55 174.19 3f58 s PHE 148 N -2.76 -0.76 0.00 -3.49 5.36 -0.69 -0.79 117.98 114.86 3f58 s PHE 148 Ca 0.15 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 3f58 s PHE 148 Cb -0.01 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 3f58 s PHE 148 CO 0.03 -0.37 0.00 -0.35 -1.46 0.00 0.00 175.22 173.07 3f58 n PRO 149 N 2.84 1.88 -3.33 10.12 -0.04 -1.26 -0.71 135.00 144.50 3f58 n PRO 149 Ca -0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 3f58 n PRO 149 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 3f58 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3f58 s GLU 150 N 0.76 3.70 0.58 0.54 0.41 -1.26 -4.78 118.70 118.66 3f58 s GLU 150 Ca 0.00 0.13 0.09 0.00 -0.41 0.00 0.00 54.97 54.78 3f58 s GLU 150 Cb 0.00 -2.63 0.09 0.00 -1.78 0.00 0.00 34.13 29.81 3f58 s GLU 150 CO 0.00 0.23 0.73 -0.35 -0.49 0.00 0.00 175.26 175.38 3f58 n PRO 151 N -0.67 0.61 -4.30 0.39 -0.04 -1.26 -4.92 135.00 124.81 3f58 n PRO 151 Ca -0.01 -3.23 -0.20 0.00 -0.04 0.00 0.00 63.50 60.03 3f58 n PRO 151 Cb 0.53 -0.12 -0.16 0.00 -0.04 0.00 0.00 33.50 33.72 3f58 n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3f58 s VAL 152 N -2.67 0.68 -0.33 0.52 1.01 -1.26 -4.49 120.40 113.86 3f58 s VAL 152 Ca 0.55 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 3f58 s VAL 152 Cb -0.04 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3f58 s VAL 152 CO 0.35 0.23 0.15 -0.89 0.00 0.00 0.00 175.10 174.94 3f58 s THR 153 N 0.47 4.43 -0.07 3.92 2.01 0.31 -4.95 115.64 121.76 3f58 s THR 153 Ca -0.07 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.35 3f58 s THR 153 Cb -0.11 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 3f58 s THR 153 CO 0.01 -0.02 -0.24 0.54 -0.69 0.00 0.00 174.62 174.21 3f58 s VAL 154 N 1.56 2.04 0.18 3.82 0.11 -1.25 -0.03 120.40 126.84 3f58 s VAL 154 Ca 0.03 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.01 3f58 s VAL 154 Cb -0.18 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 3f58 s VAL 154 CO 0.05 0.56 0.16 0.42 -3.33 0.00 0.00 175.10 172.97 3f58 s THR 156 N 0.05 0.03 0.05 5.04 -4.23 -0.00 -4.97 115.64 111.61 3f58 s THR 156 Ca -0.10 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 3f58 s THR 156 Cb -0.15 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 3f58 s THR 156 CO 0.06 -0.14 -0.18 0.26 -0.54 0.00 0.00 174.62 174.08 3f58 s TRP 157 N -4.10 2.56 -1.35 3.99 0.52 -1.26 0.45 118.94 119.75 3f58 s TRP 157 Ca 0.31 -0.25 -0.06 0.00 0.02 0.00 0.00 56.10 56.12 3f58 s TRP 157 Cb 0.06 -1.45 0.06 0.00 -1.15 0.00 0.00 33.47 30.99 3f58 s TRP 157 CO 0.08 0.27 0.15 0.09 0.02 0.00 0.00 176.95 177.56 3f58 n ASN 162 N 1.45 0.11 0.00 2.95 3.02 0.80 0.90 115.26 124.49 3f58 n ASN 162 Ca -0.16 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3f58 n ASN 162 Cb 0.52 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 3f58 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3f58 n SER 163 N -2.18 0.00 0.00 6.41 7.64 -1.26 -1.40 113.62 122.83 3f58 n SER 163 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 3f58 n SER 163 Cb 0.51 -1.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 3f58 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f58 n GLY 164 N -2.00 0.87 0.39 0.23 0.00 0.26 -5.02 105.19 99.93 3f58 n GLY 164 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3f58 n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3f58 h SER 165 N 0.00 -1.12 -2.70 1.61 0.02 -1.19 -3.35 113.55 106.82 3f58 h SER 165 Ca 0.00 0.12 -0.54 0.00 -0.84 0.00 0.00 61.79 60.53 3f58 h SER 165 Cb 0.00 0.41 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 3f58 h SER 165 CO 0.00 -0.47 1.15 -0.76 -1.14 0.00 0.00 176.83 175.61 3f58 s LEU 166 N -10.27 3.40 -0.04 5.07 2.01 -1.24 -4.73 118.68 112.88 3f58 s LEU 166 Ca -0.16 0.40 0.02 0.00 0.01 0.00 0.00 54.13 54.40 3f58 s LEU 166 Cb 0.07 -3.04 -0.04 0.00 0.01 0.00 0.00 46.19 43.20 3f58 s LEU 166 CO 0.63 -1.79 -0.01 -1.54 1.01 0.00 0.00 176.35 174.65 3f58 n SER 167 N 10.05 3.92 -4.86 2.29 3.41 -1.26 -4.33 113.62 122.84 3f58 n SER 167 Ca 0.14 -0.01 -0.34 0.00 -0.26 0.00 0.00 58.87 58.41 3f58 n SER 167 Cb 0.49 0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.70 3f58 n SER 167 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f58 s SER 168 N -3.86 6.71 -0.93 4.04 1.04 -1.26 -4.14 113.70 115.30 3f58 s SER 168 Ca -0.04 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.37 3f58 s SER 168 Cb 0.01 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.88 3f58 s SER 168 CO 0.13 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.98 3f58 n GLY 169 N 0.33 0.24 3.39 7.32 0.00 -1.26 -4.77 105.19 110.44 3f58 n GLY 169 Ca -0.03 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3f58 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f58 s VAL 171 N -2.48 3.31 -0.19 1.61 1.01 -1.26 -0.53 120.40 121.87 3f58 s VAL 171 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3f58 s VAL 171 Cb 0.00 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3f58 s VAL 171 CO 0.00 0.50 -0.09 -1.00 0.00 0.00 0.00 175.10 174.51 3f58 s HIS 172 N 0.56 2.25 -0.32 5.22 3.76 0.45 -4.95 115.29 122.26 3f58 s HIS 172 Ca -0.06 -1.47 -0.09 0.00 -0.15 0.00 0.00 55.06 53.29 3f58 s HIS 172 Cb -0.15 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 31.98 3f58 s HIS 172 CO 0.03 -0.71 0.14 0.99 -0.85 0.00 0.00 174.74 174.34 3f58 s THR 173 N 1.45 4.35 -0.02 1.30 2.01 -1.26 -0.16 115.64 123.31 3f58 s THR 173 Ca -0.01 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 3f58 s THR 173 Cb -0.16 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 3f58 s THR 173 CO -0.08 0.00 0.82 -0.36 -0.69 0.00 0.00 174.62 174.31 3f58 s PHE 174 N 1.56 3.64 0.40 4.92 0.08 -0.05 -5.01 117.98 123.52 3f58 s PHE 174 Ca 0.03 1.46 -0.23 0.00 0.12 0.00 0.00 56.93 58.31 3f58 s PHE 174 Cb -0.18 -2.93 -0.13 0.00 -0.57 0.00 0.00 43.02 39.22 3f58 s PHE 174 CO 0.05 0.08 0.63 -2.30 -0.10 0.00 0.00 175.22 173.59 3f58 n PRO 175 N 3.65 0.69 -1.77 0.24 -0.02 -1.26 -3.99 135.00 132.53 3f58 n PRO 175 Ca 0.01 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 3f58 n PRO 175 Cb 0.51 -1.57 0.05 0.00 -0.02 0.00 0.00 33.50 32.47 3f58 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f58 s ALA 176 N -1.39 2.47 -0.12 3.55 0.00 -1.26 -4.78 121.76 120.22 3f58 s ALA 176 Ca 0.63 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 3f58 s ALA 176 Cb -0.62 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.21 3f58 s ALA 176 CO 0.58 -1.27 0.01 0.54 0.00 0.00 0.00 175.76 175.62 3f58 s VAL 177 N -2.30 0.44 0.43 0.00 0.11 -0.67 -4.95 120.40 113.45 3f58 s VAL 177 Ca 0.67 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.34 3f58 s VAL 177 Cb -0.21 -0.73 -0.08 0.00 -1.53 0.00 0.00 36.38 33.83 3f58 s VAL 177 CO 0.41 0.08 1.20 -0.22 -3.33 0.00 0.00 175.10 173.24 3f58 s LEU 178 N 1.93 4.13 -0.30 2.54 2.96 -1.26 -2.88 118.68 125.79 3f58 s LEU 178 Ca 0.03 2.40 0.02 0.00 -0.22 0.00 0.00 54.13 56.36 3f58 s LEU 178 Cb -0.14 -4.08 0.20 0.00 0.50 0.00 0.00 46.19 42.66 3f58 s LEU 178 CO -0.06 -0.81 0.69 -1.58 -1.32 0.00 0.00 176.35 173.26 3f58 s GLN 179 N -2.44 0.48 -0.46 1.98 2.00 -0.34 -4.98 119.66 115.91 3f58 s GLN 179 Ca 0.60 0.43 -0.00 0.00 -2.00 0.00 0.00 55.36 54.38 3f58 s GLN 179 Cb -0.32 0.20 -0.00 0.00 0.80 0.00 0.00 33.01 33.70 3f58 s GLN 179 CO 0.39 -0.89 0.38 0.43 -0.50 0.00 0.00 175.29 175.11 3f58 n SER 180 N 5.30 -2.14 -0.01 6.67 7.64 -1.26 -3.25 113.62 126.58 3f58 n SER 180 Ca 0.06 -0.24 -0.00 0.00 1.01 0.00 0.00 58.87 59.70 3f58 n SER 180 Cb 0.55 -2.29 -0.00 0.00 -1.01 0.00 0.00 64.21 61.46 3f58 n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3f58 n ASP 183 N -1.85 -5.40 -3.97 6.43 8.00 -1.26 -4.96 116.55 113.54 3f58 n ASP 183 Ca -0.11 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.18 3f58 n ASP 183 Cb 0.56 -2.91 -0.16 0.00 -0.02 0.00 0.00 41.12 38.60 3f58 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3f58 s LEU 184 N -0.02 1.61 0.30 0.64 1.43 -1.20 -4.72 118.68 116.73 3f58 s LEU 184 Ca 0.00 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3f58 s LEU 184 Cb 0.00 -0.58 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 3f58 s LEU 184 CO 0.00 0.02 0.60 -0.31 0.23 0.00 0.00 176.35 176.89 3f58 s TYR 185 N 0.53 3.46 -0.02 0.29 1.51 0.03 -1.20 117.35 121.95 3f58 s TYR 185 Ca -0.09 0.77 -0.00 0.00 -1.01 0.00 0.00 57.07 56.74 3f58 s TYR 185 Cb -0.12 -2.21 0.03 0.00 -0.11 0.00 0.00 41.96 39.55 3f58 s TYR 185 CO 0.01 0.13 0.03 0.99 -1.11 0.00 0.00 175.55 175.61 3f58 s THR 186 N -2.10 -0.06 0.06 -0.71 2.01 -1.14 -0.99 115.64 112.71 3f58 s THR 186 Ca 0.46 0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.67 3f58 s THR 186 Cb -0.11 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 3f58 s THR 186 CO 0.28 0.09 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.05 3f58 s LEU 187 N 1.07 2.48 -0.07 4.42 0.20 -0.15 -1.67 118.68 124.95 3f58 s LEU 187 Ca -0.09 -0.97 -0.09 0.00 0.69 0.00 0.00 54.13 53.67 3f58 s LEU 187 Cb -0.13 0.14 0.02 0.00 -0.43 0.00 0.00 46.19 45.79 3f58 s LEU 187 CO -0.03 -0.55 0.24 -0.94 -0.29 0.00 0.00 176.35 174.78 3f58 s SER 188 N -2.84 -0.22 -0.02 3.68 1.04 -1.26 -0.95 113.70 113.13 3f58 s SER 188 Ca 0.06 0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.93 3f58 s SER 188 Cb 0.06 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 3f58 s SER 188 CO -0.08 -0.17 -0.25 -0.55 0.98 0.00 0.00 173.24 173.16 3f58 s SER 189 N -0.24 3.00 0.21 7.02 0.15 -0.91 -0.87 113.70 122.07 3f58 s SER 189 Ca -0.04 -0.47 0.11 0.00 0.70 0.00 0.00 55.95 56.26 3f58 s SER 189 Cb -0.03 -0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 3f58 s SER 189 CO 0.01 0.30 -0.23 -0.94 1.20 0.00 0.00 173.24 173.59 3f58 s SER 190 N -0.54 3.43 -0.08 5.45 1.04 0.78 -0.79 113.70 123.00 3f58 s SER 190 Ca 0.08 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 3f58 s SER 190 Cb -0.10 -0.26 0.04 0.00 0.10 0.00 0.00 66.02 65.80 3f58 s SER 190 CO -0.00 0.09 0.16 0.54 0.98 0.00 0.00 173.24 175.01 3f58 s VAL 191 N -1.90 -0.11 -0.27 5.02 0.11 -0.13 -0.42 120.40 122.70 3f58 s VAL 191 Ca 0.23 0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.44 3f58 s VAL 191 Cb -0.07 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3f58 s VAL 191 CO 0.11 0.09 0.04 -0.89 -3.33 0.00 0.00 175.10 171.12 3f58 s THR 192 N 1.48 3.74 0.23 5.04 2.01 0.31 -1.08 115.64 127.37 3f58 s THR 192 Ca -0.06 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.35 3f58 s THR 192 Cb -0.12 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3f58 s THR 192 CO -0.06 0.17 -0.15 0.68 -0.69 0.00 0.00 174.62 174.56 3f58 s VAL 193 N 1.48 1.92 0.43 3.82 -7.23 0.04 -4.72 120.40 116.13 3f58 s VAL 193 Ca 0.03 -2.25 -0.26 0.00 -1.81 0.00 0.00 61.98 57.69 3f58 s VAL 193 Cb -0.16 -2.14 -0.08 0.00 0.56 0.00 0.00 36.38 34.55 3f58 s VAL 193 CO 0.01 -0.52 1.38 -2.84 -0.31 0.00 0.00 175.10 172.81 3f58 s PRO 194 N -3.62 3.81 0.66 4.82 0.02 -1.26 0.29 135.00 139.72 3f58 s PRO 194 Ca 0.25 2.31 0.38 0.00 0.02 0.00 0.00 61.00 63.96 3f58 s PRO 194 Cb -0.01 -2.70 2.07 0.00 0.02 0.00 0.00 34.50 33.87 3f58 s PRO 194 CO 0.09 -0.68 2.16 0.77 -0.33 0.00 0.00 177.00 179.02 3f58 h SER 195 N 2.48 0.00 0.19 2.53 0.02 -1.64 -3.05 113.55 114.09 3f58 h SER 195 Ca -0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 3f58 h SER 195 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3f58 h SER 195 CO 0.62 0.00 -0.09 0.28 -1.14 0.00 0.00 176.83 176.50 3f58 h SER 196 N 0.00 -0.21 0.00 3.07 0.02 -1.90 -3.39 113.55 111.14 3f58 h SER 196 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3f58 h SER 196 Cb 0.30 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3f58 h SER 196 CO 0.00 -0.15 0.00 -0.81 -1.14 0.00 0.00 176.83 174.73 3f58 n PRO 198 N -2.70 0.00 -2.53 3.45 -0.04 -1.15 -4.36 135.00 127.67 3f58 n PRO 198 Ca -0.03 0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 3f58 n PRO 198 Cb 0.10 -0.85 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 3f58 n PRO 198 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3f58 s ARG 199 N -0.70 4.65 0.00 0.54 3.52 -1.26 0.60 118.95 126.30 3f58 s ARG 199 Ca 0.00 1.73 0.17 0.00 -0.13 0.00 0.00 55.73 57.50 3f58 s ARG 199 Cb 0.00 -3.23 0.76 0.00 -1.56 0.00 0.00 34.95 30.92 3f58 s ARG 199 CO 0.00 0.21 1.53 -0.35 -0.81 0.00 0.00 175.30 175.87 3f58 n PRO 200 N 1.66 1.40 0.26 5.12 -0.04 -1.26 -4.75 135.00 137.39 3f58 n PRO 200 Ca 0.00 -0.60 -0.16 0.00 -0.04 0.00 0.00 63.50 62.70 3f58 n PRO 200 Cb 0.46 -1.31 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 3f58 n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3f58 h SER 202 N 1.17 -0.51 -2.93 3.54 0.02 -0.04 -3.43 113.55 111.37 3f58 h SER 202 Ca 0.00 0.01 -0.45 0.00 -0.84 0.00 0.00 61.79 60.51 3f58 h SER 202 Cb 0.26 0.13 0.04 0.00 0.14 0.00 0.00 62.40 62.97 3f58 h SER 202 CO 0.00 -0.36 0.00 -1.61 -1.14 0.00 0.00 176.83 173.73 3f58 s GLU 203 N -6.07 2.79 -0.11 3.45 2.02 0.52 -5.09 118.70 116.21 3f58 s GLU 203 Ca -0.16 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 3f58 s GLU 203 Cb 0.04 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 3f58 s GLU 203 CO 0.63 -0.58 0.01 0.95 0.02 0.00 0.00 175.26 176.29 3f58 s THR 204 N -2.76 4.35 -0.10 3.63 -4.23 -1.26 -4.17 115.64 111.08 3f58 s THR 204 Ca 0.53 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 3f58 s THR 204 Cb -0.10 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 3f58 s THR 204 CO 0.40 0.57 -0.11 -0.69 -0.54 0.00 0.00 174.62 174.25 3f58 s VAL 205 N -0.48 3.28 -0.02 2.29 1.01 -1.26 -4.97 120.40 120.24 3f58 s VAL 205 Ca 0.09 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3f58 s VAL 205 Cb -0.12 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.91 3f58 s VAL 205 CO 0.02 0.55 -0.02 -0.89 0.00 0.00 0.00 175.10 174.76 3f58 s THR 206 N -0.10 0.27 -0.20 3.92 2.01 -1.26 -1.25 115.64 119.02 3f58 s THR 206 Ca -0.01 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 3f58 s THR 206 Cb -0.14 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 3f58 s THR 206 CO 0.03 0.13 0.09 0.00 -0.69 0.00 0.00 174.62 174.19 3f58 s ASN 209 N 0.58 5.75 -0.13 0.00 0.01 0.17 -2.32 114.94 119.00 3f58 s ASN 209 Ca 0.05 -0.93 -0.04 0.00 -0.71 0.00 0.00 52.86 51.23 3f58 s ASN 209 Cb -0.12 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 3f58 s ASN 209 CO 0.01 -0.37 0.01 -0.69 -1.51 0.00 0.00 177.10 174.55 3f58 s VAL 210 N 1.57 4.39 -0.06 1.60 1.01 -0.47 -0.82 120.40 127.62 3f58 s VAL 210 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3f58 s VAL 210 Cb -0.19 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.32 3f58 s VAL 210 CO 0.07 0.54 0.02 0.00 0.00 0.00 0.00 175.10 175.73 3f58 s ALA 211 N -0.23 0.54 -0.62 5.51 0.00 0.96 -0.95 121.76 126.96 3f58 s ALA 211 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.05 3f58 s ALA 211 Cb -0.12 -0.67 0.15 0.00 0.00 0.00 0.00 23.12 22.48 3f58 s ALA 211 CO 0.02 -0.43 0.38 -1.58 0.00 0.00 0.00 175.76 174.16 3f58 s HIS 212 N 1.93 3.39 0.36 0.00 2.46 -0.37 -0.53 115.29 122.53 3f58 s HIS 212 Ca 0.04 -3.25 0.15 0.00 0.47 0.00 0.00 55.06 52.47 3f58 s HIS 212 Cb -0.12 -2.78 1.07 0.00 -0.13 0.00 0.00 32.58 30.62 3f58 s HIS 212 CO -0.04 -0.65 1.70 -1.00 -2.47 0.00 0.00 174.74 172.28 3f58 h PRO 213 N 5.96 0.38 -0.68 2.88 0.13 -1.79 0.12 132.00 138.98 3f58 h PRO 213 Ca 0.03 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.18 3f58 h PRO 213 Cb 0.82 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.83 3f58 h PRO 213 CO 0.71 0.25 0.45 0.00 -0.23 0.00 0.00 178.00 179.18 3f58 h ALA 214 N 1.75 1.64 -0.01 -0.56 0.00 -1.94 -1.39 119.26 118.74 3f58 h ALA 214 Ca 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3f58 h ALA 214 Cb 1.61 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3f58 h ALA 214 CO -0.49 0.28 -0.51 -1.13 0.00 0.00 0.00 179.25 177.40 3f58 n SER 215 N -4.46 1.72 -2.13 0.00 3.41 -0.47 -4.97 113.62 106.73 3f58 n SER 215 Ca 0.09 -1.36 -0.17 0.00 -0.26 0.00 0.00 58.87 57.17 3f58 n SER 215 Cb 0.15 0.57 0.01 0.00 -0.26 0.00 0.00 64.21 64.68 3f58 n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3f58 n SER 216 N -0.30 -5.00 -4.80 4.04 7.64 0.28 -4.98 113.62 110.50 3f58 n SER 216 Ca 0.07 -0.12 -0.38 0.00 1.01 0.00 0.00 58.87 59.46 3f58 n SER 216 Cb 0.40 -3.98 -0.06 0.00 -1.01 0.00 0.00 64.21 59.56 3f58 n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3f58 s THR 217 N -2.92 5.03 -0.10 0.44 2.01 -0.87 -4.96 115.64 114.26 3f58 s THR 217 Ca 0.12 0.91 -0.03 0.00 0.31 0.00 0.00 61.69 62.99 3f58 s THR 217 Cb -0.05 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.74 3f58 s THR 217 CO 0.14 0.52 0.08 -0.75 -0.69 0.00 0.00 174.62 173.91 3f58 s LYS 218 N -0.67 -0.01 0.02 4.92 2.47 -1.26 -1.23 119.74 123.98 3f58 s LYS 218 Ca 0.25 0.17 0.04 0.00 -1.56 0.00 0.00 55.97 54.86 3f58 s LYS 218 Cb -0.17 -1.12 -0.02 0.00 -1.46 0.00 0.00 37.83 35.07 3f58 s LYS 218 CO 0.13 -0.49 -0.11 0.08 0.16 0.00 0.00 175.35 175.12 3f58 s VAL 219 N 2.16 0.89 -0.11 4.02 1.01 -0.13 -5.01 120.40 123.23 3f58 s VAL 219 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3f58 s VAL 219 Cb -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.45 3f58 s VAL 219 CO -0.06 0.05 -0.18 -1.81 0.00 0.00 0.00 175.10 173.10 3f58 s ASP 220 N -0.79 2.64 -0.11 3.32 1.01 -1.26 -1.37 116.67 120.12 3f58 s ASP 220 Ca 0.01 -0.48 0.04 0.00 0.71 0.00 0.00 52.55 52.83 3f58 s ASP 220 Cb -0.06 -1.20 0.00 0.00 1.01 0.00 0.00 42.92 42.67 3f58 s ASP 220 CO 0.00 0.06 -0.23 -0.54 0.21 0.00 0.00 175.17 174.67 3f58 s LYS 221 N 0.82 2.97 -0.22 8.23 -0.14 -0.98 -4.97 119.74 125.44 3f58 s LYS 221 Ca -0.09 -0.85 -0.16 0.00 -1.36 0.00 0.00 55.97 53.51 3f58 s LYS 221 Cb -0.16 -2.29 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 3f58 s LYS 221 CO 0.00 0.12 0.40 0.21 -0.76 0.00 0.00 175.35 175.33 3f58 s LYS 222 N 0.48 4.14 -0.63 1.68 2.20 -1.26 -1.43 119.74 124.92 3f58 s LYS 222 Ca -0.16 0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.36 3f58 s LYS 222 Cb -0.17 -3.57 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 3f58 s LYS 222 CO 0.06 -0.11 1.41 0.42 -0.36 0.00 0.00 175.35 176.77 3f58 s ILE 223 N 1.52 3.73 0.09 5.43 -1.09 -0.38 -4.97 121.20 125.53 3f58 s ILE 223 Ca 0.18 0.54 0.06 0.00 -2.23 0.00 0.00 60.65 59.20 3f58 s ILE 223 Cb -0.15 -4.56 -0.04 0.00 -1.58 0.00 0.00 42.46 36.13 3f58 s ILE 223 CO 0.08 -1.39 -0.05 0.54 -1.23 0.00 0.00 174.94 172.90 3f58 s VAL 226 N 6.25 3.72 0.37 2.92 0.11 -1.26 -4.55 120.40 127.97 3f58 s VAL 226 Ca 0.48 -1.09 -0.26 0.00 -2.93 0.00 0.00 61.98 58.18 3f58 s VAL 226 Cb -0.10 -2.75 -0.12 0.00 -1.53 0.00 0.00 36.38 31.89 3f58 s VAL 226 CO 0.21 0.14 1.10 -2.65 -3.33 0.00 0.00 175.10 170.57 3f58 n PRO 227 N 0.70 1.59 -2.91 1.54 -0.02 -1.26 -4.71 135.00 129.94 3f58 n PRO 227 Ca -0.12 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 3f58 n PRO 227 Cb 0.52 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3f58 n PRO 227 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3f58 s ARG 228 N -1.91 3.79 0.00 -0.52 3.52 -1.26 -4.97 118.95 117.60 3f58 s ARG 228 Ca 0.60 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 3f58 s ARG 228 Cb -0.58 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 3f58 s ARG 228 CO 0.59 -0.00 0.00 -0.40 -0.81 0.00 0.00 175.30 174.67 3f58 n ASP 229 N -1.19 0.00 0.00 -2.12 5.68 -1.26 -5.05 116.55 112.61 3f58 n ASP 229 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 3f58 n ASP 229 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 3f58 n ASP 229 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87