#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f08 s HIS 3 N 0.00 0.78 -0.05 0.00 -0.00 -1.26 -0.23 115.29 114.53 3f08 s HIS 3 Ca 0.00 -1.18 -0.31 0.00 -0.00 0.00 0.00 55.06 53.58 3f08 s HIS 3 Cb 0.00 -0.44 0.07 0.00 -0.00 0.00 0.00 32.58 32.21 3f08 s HIS 3 CO 0.00 -0.52 0.67 -0.08 -0.00 0.00 0.00 174.74 174.81 3f08 s THR 4 N -4.03 0.00 -0.04 -5.38 -1.32 -0.81 -5.00 115.64 99.06 3f08 s THR 4 Ca 0.22 -0.01 -0.10 0.00 -1.21 0.00 0.00 61.69 60.58 3f08 s THR 4 Cb 0.07 -0.99 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 3f08 s THR 4 CO 0.00 -0.01 0.24 -0.89 -2.21 0.00 0.00 174.62 171.75 3f08 s THR 5 N -1.19 0.05 -0.02 5.08 2.01 -1.26 -1.54 115.64 118.76 3f08 s THR 5 Ca -0.11 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 3f08 s THR 5 Cb -0.00 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.04 3f08 s THR 5 CO 0.10 -0.21 0.11 0.28 -0.69 0.00 0.00 174.62 174.21 3f08 s THR 6 N -0.86 0.05 0.04 -0.82 -1.32 -0.65 -5.02 115.64 107.06 3f08 s THR 6 Ca -0.09 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 3f08 s THR 6 Cb -0.05 -0.29 -0.00 0.00 -1.51 0.00 0.00 72.50 70.65 3f08 s THR 6 CO 0.02 -0.21 0.01 -1.20 -2.21 0.00 0.00 174.62 171.03 3f08 n SER 7 N 2.23 1.54 -4.28 8.08 7.64 -1.26 -1.39 113.62 126.17 3f08 n SER 7 Ca -0.18 -1.17 -0.32 0.00 1.01 0.00 0.00 58.87 58.21 3f08 n SER 7 Cb 0.57 0.05 -0.16 0.00 -1.01 0.00 0.00 64.21 63.67 3f08 n SER 7 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3f08 s GLU 9 N -2.13 2.91 -0.05 1.43 0.41 -1.26 -5.00 118.70 115.01 3f08 s GLU 9 Ca 0.01 -0.84 0.05 0.00 -0.41 0.00 0.00 54.97 53.78 3f08 s GLU 9 Cb 0.00 -2.33 -0.02 0.00 -1.78 0.00 0.00 34.13 30.00 3f08 s GLU 9 CO 0.01 0.29 -0.20 0.42 -0.49 0.00 0.00 175.26 175.28 3f08 s ILE 10 N 0.10 2.55 -1.39 -1.63 1.09 -0.32 -4.83 121.20 116.78 3f08 s ILE 10 Ca -0.10 -0.91 -0.11 0.00 -1.10 0.00 0.00 60.65 58.43 3f08 s ILE 10 Cb -0.16 -1.96 0.09 0.00 -1.06 0.00 0.00 42.46 39.38 3f08 s ILE 10 CO 0.06 0.58 2.12 0.33 -0.10 0.00 0.00 174.94 177.93 3f08 n PHE 11 N 2.54 3.17 -3.50 3.97 -0.00 -1.26 -2.21 117.46 120.17 3f08 n PHE 11 Ca -0.17 -2.89 -0.13 0.00 -0.00 0.00 0.00 57.45 54.26 3f08 n PHE 11 Cb 0.52 -2.26 -0.04 0.00 -0.00 0.00 0.00 39.48 37.70 3f08 n PHE 11 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3f08 s GLY 12 N 2.00 -0.51 0.92 7.13 0.00 -0.84 -4.84 107.32 111.19 3f08 s GLY 12 Ca 0.45 1.17 -0.11 0.00 0.00 0.00 0.00 44.72 46.23 3f08 s GLY 12 CO -0.05 0.63 1.10 -1.35 0.00 0.00 0.00 173.10 173.43 3f08 s SER 13 N -1.86 3.03 0.36 1.64 1.04 -1.22 -2.79 113.70 113.90 3f08 s SER 13 Ca -0.03 1.83 0.04 0.00 0.48 0.00 0.00 55.95 58.28 3f08 s SER 13 Cb -0.01 -2.42 0.70 0.00 0.10 0.00 0.00 66.02 64.40 3f08 s SER 13 CO -0.02 -2.97 1.99 0.71 0.98 0.00 0.00 173.24 173.94 3f08 h THR 14 N -1.78 1.10 -0.81 2.02 1.35 -1.78 -0.55 112.91 112.46 3f08 h THR 14 Ca -0.48 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.07 3f08 h THR 14 Cb 1.28 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 67.90 3f08 h THR 14 CO 0.48 0.14 0.34 -0.08 -0.25 0.00 0.00 175.52 176.16 3f08 h GLU 15 N 0.79 1.19 -0.11 4.72 4.81 -1.93 0.01 114.58 124.06 3f08 h GLU 15 Ca 0.26 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 3f08 h GLU 15 Cb 0.05 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.24 3f08 h GLU 15 CO -0.07 0.95 -0.56 1.96 -0.73 0.00 0.00 179.01 180.56 3f08 h GLN 16 N 1.17 0.57 -0.28 1.92 4.20 -1.60 -2.14 115.11 118.94 3f08 h GLN 16 Ca 0.27 -0.47 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 3f08 h GLN 16 Cb 0.18 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3f08 h GLN 16 CO -0.03 1.09 -0.10 0.28 -0.67 0.00 0.00 178.83 179.40 3f08 h VAL 17 N 0.19 1.29 -0.33 -0.54 2.07 -1.07 -2.85 116.25 115.02 3f08 h VAL 17 Ca -0.04 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 3f08 h VAL 17 Cb 1.20 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3f08 h VAL 17 CO 0.12 0.37 -0.10 -0.25 0.02 0.00 0.00 177.57 177.73 3f08 h TRP 18 N 0.32 0.59 -0.38 1.57 -0.00 -1.07 -0.37 115.95 116.61 3f08 h TRP 18 Ca 0.07 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.86 3f08 h TRP 18 Cb 0.60 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 29.59 3f08 h TRP 18 CO 0.06 0.64 0.18 0.37 -0.00 0.00 0.00 178.44 179.69 3f08 h GLN 19 N 0.51 0.52 0.11 2.65 5.75 -1.27 0.11 115.11 123.50 3f08 h GLN 19 Ca 0.10 -0.05 -0.22 0.00 -0.15 0.00 0.00 58.65 58.32 3f08 h GLN 19 Cb 0.48 -0.11 0.01 0.00 1.07 0.00 0.00 27.48 28.93 3f08 h GLN 19 CO 0.03 0.41 -1.06 1.25 -2.65 0.00 0.00 178.83 176.80 3f08 h LEU 20 N 0.52 0.37 -1.78 -2.39 5.85 -1.16 -3.40 115.31 113.32 3f08 h LEU 20 Ca 0.13 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.97 3f08 h LEU 20 Cb 0.06 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3f08 h LEU 20 CO -0.02 1.48 -0.02 2.30 -0.34 0.00 0.00 178.44 181.84 3f08 n ILE 21 N -4.08 0.00 0.18 4.05 -5.35 -0.21 -4.55 119.36 109.41 3f08 n ILE 21 Ca -0.20 -0.49 0.06 0.00 -0.27 0.00 0.00 62.75 61.85 3f08 n ILE 21 Cb 0.83 1.43 0.28 0.00 -1.74 0.00 0.00 39.64 40.44 3f08 n ILE 21 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3f08 h GLY 22 N 4.16 0.00 -4.22 3.28 0.00 -0.99 -3.45 103.07 101.85 3f08 h GLY 22 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3f08 h GLY 22 CO 0.00 0.00 0.52 -0.32 0.00 0.00 0.00 176.54 176.74 3f08 s GLY 23 N -4.36 2.68 0.44 4.60 0.00 -1.26 -4.93 107.32 104.48 3f08 s GLY 23 Ca 0.01 0.86 0.11 0.00 0.00 0.00 0.00 44.72 45.71 3f08 s GLY 23 CO 0.69 1.82 2.05 -2.75 0.00 0.00 0.00 173.10 174.90 3f08 h PHE 24 N 5.62 0.26 -0.52 1.90 3.57 -1.94 -1.81 116.94 124.03 3f08 h PHE 24 Ca -0.44 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3f08 h PHE 24 Cb 1.21 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3f08 h PHE 24 CO 0.64 0.23 0.00 -1.71 -2.23 0.00 0.00 178.31 175.23 3f08 n ASN 25 N -4.43 2.97 -0.78 0.41 5.15 -1.26 -4.45 115.26 112.86 3f08 n ASN 25 Ca -0.00 -1.98 0.09 0.00 -0.60 0.00 0.00 54.58 52.09 3f08 n ASN 25 Cb 0.13 -0.34 0.26 0.00 -0.53 0.00 0.00 39.78 39.30 3f08 n ASN 25 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3f08 n SER 26 N 1.13 2.31 -0.16 1.20 7.64 -0.68 -4.51 113.62 120.55 3f08 n SER 26 Ca 0.19 -1.90 -0.02 0.00 1.01 0.00 0.00 58.87 58.15 3f08 n SER 26 Cb 0.48 -0.23 0.07 0.00 -1.01 0.00 0.00 64.21 63.52 3f08 n SER 26 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3f08 h LEU 27 N 2.74 -0.00 -2.83 -3.43 3.38 -1.78 -0.65 115.31 112.74 3f08 h LEU 27 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3f08 h LEU 27 Cb 0.62 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3f08 h LEU 27 CO 0.00 0.02 0.05 1.55 0.09 0.00 0.00 178.44 180.15 3f08 h PRO 28 N 0.24 0.00 0.00 1.13 0.13 -1.77 0.63 132.00 132.36 3f08 h PRO 28 Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 3f08 h PRO 28 Cb 0.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 3f08 h PRO 28 CO -0.34 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 176.98 3f08 h ASP 29 N 0.00 0.00 0.00 1.44 3.32 -1.41 -3.38 116.42 116.39 3f08 h ASP 29 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3f08 h ASP 29 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3f08 h ASP 29 CO -0.00 0.01 0.00 -2.67 -1.72 0.00 0.00 179.24 174.86 3f08 n TRP 30 N -3.10 0.00 -3.70 4.55 4.27 -0.20 -5.06 117.44 114.19 3f08 n TRP 30 Ca 0.01 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.23 3f08 n TRP 30 Cb 0.31 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.14 3f08 n TRP 30 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3f08 s LEU 31 N 0.00 4.19 0.38 5.67 2.96 0.20 -4.38 118.68 127.71 3f08 s LEU 31 Ca 0.00 -0.82 0.06 0.00 -0.22 0.00 0.00 54.13 53.14 3f08 s LEU 31 Cb 0.00 -1.94 0.77 0.00 0.50 0.00 0.00 46.19 45.52 3f08 s LEU 31 CO 0.00 -0.26 2.02 -0.65 -1.32 0.00 0.00 176.35 176.14 3f08 h PRO 32 N 8.30 0.67 0.00 0.98 0.11 -1.89 -2.30 132.00 137.87 3f08 h PRO 32 Ca -0.29 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3f08 h PRO 32 Cb 1.12 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3f08 h PRO 32 CO 0.62 0.45 -0.01 -0.92 -0.21 0.00 0.00 178.00 177.92 3f08 h TYR 33 N 0.69 0.00 -3.18 0.65 3.20 -1.95 -3.34 116.97 113.05 3f08 h TYR 33 Ca 0.22 0.00 -0.63 0.00 3.14 0.00 0.00 58.73 61.46 3f08 h TYR 33 Cb 0.02 0.00 -0.41 0.00 1.54 0.00 0.00 36.73 37.88 3f08 h TYR 33 CO -0.00 0.01 -0.64 0.42 -1.64 0.00 0.00 178.16 176.32 3f08 s ILE 34 N -4.05 2.45 -0.20 1.81 -1.09 -0.87 -3.24 121.20 116.01 3f08 s ILE 34 Ca -0.03 -3.54 0.29 0.00 -2.23 0.00 0.00 60.65 55.14 3f08 s ILE 34 Cb 0.12 -2.66 0.34 0.00 -1.58 0.00 0.00 42.46 38.68 3f08 s ILE 34 CO 0.47 -0.90 1.84 1.55 -1.23 0.00 0.00 174.94 176.67 3f08 h PRO 35 N 6.10 0.00 -3.60 2.79 0.13 -1.68 -3.13 132.00 132.61 3f08 h PRO 35 Ca 0.02 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.94 3f08 h PRO 35 Cb 0.85 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.71 3f08 h PRO 35 CO 0.66 0.00 -0.64 0.45 -0.23 0.00 0.00 178.00 178.24 3f08 s SER 36 N -5.32 -0.05 -0.11 1.44 0.15 -1.25 -4.83 113.70 103.73 3f08 s SER 36 Ca 0.04 0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.62 3f08 s SER 36 Cb 0.09 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.56 3f08 s SER 36 CO 0.53 -0.05 0.40 -0.55 1.20 0.00 0.00 173.24 174.77 3f08 s SER 37 N -0.09 -0.37 -0.03 5.45 0.15 -1.26 -2.44 113.70 115.11 3f08 s SER 37 Ca -0.01 0.60 -0.08 0.00 0.70 0.00 0.00 55.95 57.15 3f08 s SER 37 Cb -0.01 0.66 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 3f08 s SER 37 CO 0.00 -0.26 0.18 -1.59 1.20 0.00 0.00 173.24 172.77 3f08 s LYS 38 N -0.33 0.41 0.02 5.44 -2.85 -0.64 -4.97 119.74 116.81 3f08 s LYS 38 Ca -0.05 -0.10 -0.01 0.00 -1.00 0.00 0.00 55.97 54.81 3f08 s LYS 38 Cb -0.03 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 3f08 s LYS 38 CO 0.02 -0.09 0.17 -0.51 0.10 0.00 0.00 175.35 175.05 3f08 s LEU 39 N -0.77 4.27 0.29 2.77 1.43 -1.26 -0.02 118.68 125.39 3f08 s LEU 39 Ca -0.09 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3f08 s LEU 39 Cb -0.05 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3f08 s LEU 39 CO 0.01 0.23 0.16 0.42 0.23 0.00 0.00 176.35 177.41 3f08 s THR 40 N -1.37 0.26 -1.44 5.49 -4.23 -0.16 -4.81 115.64 109.38 3f08 s THR 40 Ca 0.29 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.71 3f08 s THR 40 Cb -0.13 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3f08 s THR 40 CO 0.21 0.00 0.96 -0.62 -0.54 0.00 0.00 174.62 174.63 3f08 n GLU 41 N -0.54 -6.49 -1.92 3.99 -0.58 -1.26 -1.81 120.64 112.03 3f08 n GLU 41 Ca 0.02 0.79 -0.17 0.00 -0.42 0.00 0.00 57.16 57.38 3f08 n GLU 41 Cb 0.65 -5.76 -0.04 0.00 -0.57 0.00 0.00 31.44 25.72 3f08 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f08 n GLY 42 N -1.78 0.66 0.02 0.62 0.00 -1.26 -2.54 105.19 100.90 3f08 n GLY 42 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3f08 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f08 n GLY 43 N -0.96 0.51 0.19 -0.02 0.00 -0.75 -4.97 105.19 99.19 3f08 n GLY 43 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3f08 n GLY 43 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f08 h ARG 44 N 4.97 0.00 -5.43 1.61 3.08 -1.28 -3.46 114.38 113.87 3f08 h ARG 44 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 3f08 h ARG 44 Cb 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.79 3f08 h ARG 44 CO 0.00 0.07 -0.80 0.08 -1.07 0.00 0.00 179.97 178.24 3f08 s VAL 45 N -3.20 1.20 -0.05 2.04 1.01 -1.04 0.11 120.40 120.47 3f08 s VAL 45 Ca 0.05 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3f08 s VAL 45 Cb 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3f08 s VAL 45 CO 0.70 0.10 -0.16 0.00 0.00 0.00 0.00 175.10 175.74 3f08 s ARG 46 N -0.97 1.82 -0.29 2.72 1.70 -0.41 -0.99 118.95 122.53 3f08 s ARG 46 Ca 0.03 -0.58 -0.10 0.00 -0.47 0.00 0.00 55.73 54.61 3f08 s ARG 46 Cb -0.07 -1.55 -0.03 0.00 -0.57 0.00 0.00 34.95 32.73 3f08 s ARG 46 CO 0.01 0.19 0.17 -1.01 -1.08 0.00 0.00 175.30 173.58 3f08 s HIS 47 N 0.18 3.19 0.28 5.89 3.76 0.97 -2.07 115.29 127.49 3f08 s HIS 47 Ca -0.07 -0.14 0.10 0.00 -0.15 0.00 0.00 55.06 54.80 3f08 s HIS 47 Cb -0.13 -2.37 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 3f08 s HIS 47 CO 0.03 -0.28 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.08 3f08 s LEU 48 N 1.71 3.01 -0.05 0.89 1.43 0.16 -1.61 118.68 124.21 3f08 s LEU 48 Ca 0.06 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 3f08 s LEU 48 Cb -0.16 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3f08 s LEU 48 CO 0.09 -0.02 -0.08 0.00 0.23 0.00 0.00 176.35 176.56 3f08 s ALA 49 N -2.40 0.94 0.78 4.21 0.00 -1.02 -0.62 121.76 123.64 3f08 s ALA 49 Ca 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 3f08 s ALA 49 Cb -0.05 -0.46 0.16 0.00 0.00 0.00 0.00 23.12 22.76 3f08 s ALA 49 CO 0.19 0.07 1.05 0.27 0.00 0.00 0.00 175.76 177.33 3f08 n ASN 50 N 3.84 1.17 0.22 0.00 0.23 -0.45 -3.40 115.26 116.87 3f08 n ASN 50 Ca -0.24 -2.05 0.15 0.00 -0.53 0.00 0.00 54.58 51.92 3f08 n ASN 50 Cb 0.52 -0.70 0.80 0.00 -2.08 0.00 0.00 39.78 38.31 3f08 n ASN 50 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3f08 h PRO 51 N 0.00 0.00 -0.05 -0.53 0.11 -1.85 0.03 132.00 129.71 3f08 h PRO 51 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3f08 h PRO 51 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3f08 h PRO 51 CO 0.35 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.89 3f08 n ASP 52 N -2.53 1.82 0.00 -2.05 8.00 -1.26 -4.91 116.55 115.62 3f08 n ASP 52 Ca -0.02 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.86 3f08 n ASP 52 Cb 0.06 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3f08 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f08 n GLY 53 N 1.21 0.89 3.76 0.44 0.00 -0.00 -5.01 105.19 106.46 3f08 n GLY 53 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3f08 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f08 s GLU 54 N -0.08 4.67 0.08 1.61 2.02 -1.26 -4.75 118.70 121.00 3f08 s GLU 54 Ca 0.00 1.75 -0.14 0.00 0.02 0.00 0.00 54.97 56.61 3f08 s GLU 54 Cb 0.00 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 3f08 s GLU 54 CO 0.00 0.26 0.47 0.95 0.02 0.00 0.00 175.26 176.96 3f08 s THR 55 N -1.14 4.95 -0.06 3.63 -4.23 -1.26 -1.35 115.64 116.18 3f08 s THR 55 Ca 0.44 0.78 0.03 0.00 -1.18 0.00 0.00 61.69 61.76 3f08 s THR 55 Cb -0.31 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 69.81 3f08 s THR 55 CO 0.39 0.38 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.09 3f08 s ILE 56 N -1.30 1.23 -0.16 2.99 1.01 0.20 -4.38 121.20 120.80 3f08 s ILE 56 Ca 0.32 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3f08 s ILE 56 Cb -0.16 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3f08 s ILE 56 CO 0.17 0.37 -0.20 -0.63 0.00 0.00 0.00 174.94 174.66 3f08 s ILE 57 N 0.53 2.18 0.09 2.92 1.01 0.46 0.35 121.20 128.75 3f08 s ILE 57 Ca -0.13 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.66 3f08 s ILE 57 Cb -0.15 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3f08 s ILE 57 CO 0.04 0.54 -0.15 -1.61 0.00 0.00 0.00 174.94 173.76 3f08 s GLU 58 N 1.02 0.92 -0.07 2.79 2.02 -0.88 -1.83 118.70 122.66 3f08 s GLU 58 Ca -0.02 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 53.94 3f08 s GLU 58 Cb -0.15 -0.91 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 3f08 s GLU 58 CO -0.06 0.19 -0.19 0.50 0.02 0.00 0.00 175.26 175.73 3f08 s ARG 59 N -2.07 2.69 -0.02 1.61 3.52 0.44 -1.29 118.95 123.83 3f08 s ARG 59 Ca 0.02 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 3f08 s ARG 59 Cb -0.08 -2.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.93 3f08 s ARG 59 CO 0.03 0.44 1.37 -1.17 -0.81 0.00 0.00 175.30 175.16 3f08 s LEU 60 N -0.28 4.30 -0.23 -0.88 2.96 0.12 -1.09 118.68 123.59 3f08 s LEU 60 Ca 0.01 2.04 -0.05 0.00 -0.22 0.00 0.00 54.13 55.91 3f08 s LEU 60 Cb -0.13 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.88 3f08 s LEU 60 CO 0.03 -0.71 -0.25 -0.62 -1.32 0.00 0.00 176.35 173.48 3f08 n GLU 61 N 5.48 0.52 -3.86 1.98 -0.58 0.14 -4.93 120.64 119.38 3f08 n GLU 61 Ca 0.13 0.17 -0.11 0.00 -0.42 0.00 0.00 57.16 56.93 3f08 n GLU 61 Cb 0.44 -1.38 -0.11 0.00 -0.57 0.00 0.00 31.44 29.82 3f08 n GLU 61 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3f08 s VAL 62 N -2.43 0.06 -0.13 2.62 1.01 -0.88 -4.96 120.40 115.69 3f08 s VAL 62 Ca -0.31 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 3f08 s VAL 62 Cb 0.10 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 36.16 3f08 s VAL 62 CO 0.46 -0.28 0.32 0.12 0.00 0.00 0.00 175.10 175.72 3f08 s PHE 63 N -0.97 -0.43 -0.23 5.22 2.19 -1.26 -0.12 117.98 122.38 3f08 s PHE 63 Ca -0.11 0.97 -0.04 0.00 0.33 0.00 0.00 56.93 58.09 3f08 s PHE 63 Cb -0.06 0.14 0.09 0.00 -1.31 0.00 0.00 43.02 41.88 3f08 s PHE 63 CO 0.01 -0.25 0.17 1.21 1.83 0.00 0.00 175.22 178.19 3f08 s ASN 64 N 1.03 2.27 0.14 6.13 3.84 -0.53 -5.02 114.94 122.79 3f08 s ASN 64 Ca -0.07 -0.69 -0.16 0.00 0.21 0.00 0.00 52.86 52.15 3f08 s ASN 64 Cb -0.08 0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.65 3f08 s ASN 64 CO -0.08 -0.37 1.70 -0.78 -2.79 0.00 0.00 177.10 174.78 3f08 h ASP 65 N 8.36 0.57 -0.66 -4.21 3.58 -1.97 -0.54 116.42 121.55 3f08 h ASP 65 Ca -0.17 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.07 3f08 h ASP 65 Cb 1.10 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 3f08 h ASP 65 CO 0.33 0.56 0.18 0.50 -2.88 0.00 0.00 179.24 177.93 3f08 h LYS 66 N 0.53 1.07 -0.17 0.28 3.64 -1.96 -2.39 116.57 117.56 3f08 h LYS 66 Ca 0.14 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3f08 h LYS 66 Cb 0.16 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3f08 h LYS 66 CO -0.01 0.94 0.00 0.39 -2.27 0.00 0.00 179.45 178.49 3f08 n GLU 67 N -4.24 1.82 -3.77 1.90 1.02 -1.18 -4.98 120.64 111.21 3f08 n GLU 67 Ca 0.05 -1.24 -0.33 0.00 -0.02 0.00 0.00 57.16 55.63 3f08 n GLU 67 Cb 0.25 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.28 3f08 n GLU 67 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3f08 n ARG 68 N 0.46 -1.33 -3.59 3.49 1.74 -0.25 -4.68 116.66 112.50 3f08 n ARG 68 Ca 0.17 0.39 -0.13 0.00 -0.77 0.00 0.00 57.85 57.51 3f08 n ARG 68 Cb 0.37 -3.94 -0.05 0.00 -1.02 0.00 0.00 32.46 27.82 3f08 n ARG 68 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3f08 s TYR 69 N -3.53 -0.37 -0.02 -1.55 -0.85 -0.97 -0.95 117.35 109.12 3f08 s TYR 69 Ca 0.42 0.33 -0.05 0.00 -0.52 0.00 0.00 57.07 57.25 3f08 s TYR 69 Cb -0.16 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.50 3f08 s TYR 69 CO 0.88 -0.65 0.11 1.52 -1.52 0.00 0.00 175.55 175.89 3f08 s TYR 70 N -2.74 -0.00 -0.01 -3.49 -0.85 -0.85 -1.46 117.35 107.96 3f08 s TYR 70 Ca -0.04 0.00 0.08 0.00 -0.52 0.00 0.00 57.07 56.60 3f08 s TYR 70 Cb -0.00 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 3f08 s TYR 70 CO -0.04 -0.19 -0.25 0.99 -1.52 0.00 0.00 175.55 174.53 3f08 s THR 71 N -0.83 2.13 0.05 -3.49 2.01 0.82 -1.91 115.64 114.42 3f08 s THR 71 Ca -0.09 -1.16 -0.06 0.00 0.31 0.00 0.00 61.69 60.69 3f08 s THR 71 Cb -0.05 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 3f08 s THR 71 CO 0.01 0.53 0.10 -0.72 -0.69 0.00 0.00 174.62 173.85 3f08 s TYR 72 N -0.67 0.25 0.10 4.92 -0.85 0.45 0.23 117.35 121.79 3f08 s TYR 72 Ca 0.11 -0.63 0.07 0.00 -0.52 0.00 0.00 57.07 56.09 3f08 s TYR 72 Cb -0.10 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 3f08 s TYR 72 CO -0.00 -0.42 -0.10 -1.54 -1.52 0.00 0.00 175.55 171.96 3f08 s SER 73 N -2.50 4.37 0.45 -0.18 1.04 -0.25 -0.32 113.70 116.31 3f08 s SER 73 Ca 0.00 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.10 3f08 s SER 73 Cb 0.02 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.33 3f08 s SER 73 CO -0.07 0.18 0.62 -0.63 0.98 0.00 0.00 173.24 174.31 3f08 s ILE 74 N -1.21 3.07 0.20 -1.02 1.01 -1.05 -0.42 121.20 121.78 3f08 s ILE 74 Ca 0.21 -0.89 -0.33 0.00 0.00 0.00 0.00 60.65 59.65 3f08 s ILE 74 Cb -0.11 -3.06 -0.14 0.00 0.01 0.00 0.00 42.46 39.16 3f08 s ILE 74 CO 0.13 -0.03 1.49 0.59 0.00 0.00 0.00 174.94 177.12 3f08 n ASN 76 N -1.97 2.89 -3.52 3.58 4.13 -0.76 -4.65 115.26 114.95 3f08 n ASN 76 Ca 0.07 1.11 -0.09 0.00 1.68 0.00 0.00 54.58 57.35 3f08 n ASN 76 Cb 0.59 -1.42 -0.03 0.00 -1.54 0.00 0.00 39.78 37.38 3f08 n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3f08 s ALA 77 N 0.41 -1.85 -0.18 5.41 0.00 -1.26 -0.40 121.76 123.89 3f08 s ALA 77 Ca 0.74 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3f08 s ALA 77 Cb -0.67 0.17 0.19 0.00 0.00 0.00 0.00 23.12 22.81 3f08 s ALA 77 CO 0.44 -0.60 1.63 -0.35 0.00 0.00 0.00 175.76 176.88 3f08 n PRO 78 N -0.02 1.49 -4.67 0.00 -0.04 -1.26 -4.88 135.00 125.61 3f08 n PRO 78 Ca -0.09 -1.05 -0.34 0.00 -0.04 0.00 0.00 63.50 61.98 3f08 n PRO 78 Cb 0.61 -1.41 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 3f08 n PRO 78 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3f08 s PHE 79 N -1.19 2.89 -1.15 0.54 0.08 -1.26 -5.02 117.98 112.88 3f08 s PHE 79 Ca 0.20 -0.01 -0.08 0.00 0.12 0.00 0.00 56.93 57.17 3f08 s PHE 79 Cb 0.17 -1.69 -0.09 0.00 -0.57 0.00 0.00 43.02 40.83 3f08 s PHE 79 CO 0.02 0.31 2.68 -0.35 -0.10 0.00 0.00 175.22 177.77 3f08 n PRO 80 N 2.23 2.85 -4.01 0.24 -0.04 -1.26 -4.80 135.00 130.20 3f08 n PRO 80 Ca -0.18 -1.74 -0.09 0.00 -0.04 0.00 0.00 63.50 61.45 3f08 n PRO 80 Cb 0.53 -2.55 -0.08 0.00 -0.04 0.00 0.00 33.50 31.35 3f08 n PRO 80 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3f08 s VAL 81 N 2.50 0.12 0.14 0.52 -7.23 -1.26 -0.21 120.40 114.97 3f08 s VAL 81 Ca 0.57 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 59.07 3f08 s VAL 81 Cb 0.16 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.38 3f08 s VAL 81 CO -0.04 -0.53 0.33 0.28 -0.31 0.00 0.00 175.10 174.83 3f08 s THR 82 N -3.96 0.08 -1.39 5.32 -1.32 0.83 -4.83 115.64 110.37 3f08 s THR 82 Ca 0.15 -1.04 -0.08 0.00 -1.21 0.00 0.00 61.69 59.50 3f08 s THR 82 Cb 0.06 -1.51 0.03 0.00 -1.51 0.00 0.00 72.50 69.56 3f08 s THR 82 CO -0.04 -0.36 1.04 -3.20 -2.21 0.00 0.00 174.62 169.86 3f08 n ASN 83 N -0.20 -4.69 -4.69 8.08 5.15 -1.26 -0.81 115.26 116.84 3f08 n ASN 83 Ca -0.12 -0.66 -0.40 0.00 -0.60 0.00 0.00 54.58 52.80 3f08 n ASN 83 Cb 0.63 -4.56 -0.05 0.00 -0.53 0.00 0.00 39.78 35.27 3f08 n ASN 83 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3f08 s TYR 84 N -3.36 3.49 -0.03 1.20 5.04 -1.26 -4.31 117.35 118.12 3f08 s TYR 84 Ca 0.47 1.13 0.02 0.00 -2.44 0.00 0.00 57.07 56.25 3f08 s TYR 84 Cb -0.22 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.27 3f08 s TYR 84 CO 0.77 -0.04 -0.09 -1.17 -1.34 0.00 0.00 175.55 173.68 3f08 s LEU 85 N 1.36 1.74 0.04 6.97 2.96 -0.47 -2.52 118.68 128.76 3f08 s LEU 85 Ca 0.34 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3f08 s LEU 85 Cb -0.17 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 3f08 s LEU 85 CO 0.14 0.05 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.59 3f08 s SER 86 N 0.30 0.98 -0.04 3.68 0.15 0.56 -1.09 113.70 118.24 3f08 s SER 86 Ca -0.05 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.08 3f08 s SER 86 Cb -0.10 0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 3f08 s SER 86 CO 0.01 -0.17 -0.07 -0.89 1.20 0.00 0.00 173.24 173.32 3f08 s THR 87 N -1.31 0.68 -0.11 6.45 2.01 0.05 -0.41 115.64 123.00 3f08 s THR 87 Ca -0.08 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.69 3f08 s THR 87 Cb -0.10 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 3f08 s THR 87 CO 0.01 0.24 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.36 3f08 s ILE 88 N 0.59 2.50 0.01 1.82 1.01 -0.80 -1.41 121.20 124.91 3f08 s ILE 88 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3f08 s ILE 88 Cb -0.12 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3f08 s ILE 88 CO 0.01 0.54 -0.02 -1.58 0.00 0.00 0.00 174.94 173.90 3f08 s GLN 89 N 0.36 0.13 -0.43 2.79 0.74 -0.04 -2.00 119.66 121.20 3f08 s GLN 89 Ca -0.15 -0.18 -0.10 0.00 0.05 0.00 0.00 55.36 54.98 3f08 s GLN 89 Cb -0.17 -0.04 0.08 0.00 1.10 0.00 0.00 33.01 33.99 3f08 s GLN 89 CO 0.07 0.00 0.29 0.08 -0.55 0.00 0.00 175.29 175.19 3f08 s VAL 90 N -0.38 4.38 0.22 1.34 1.01 -0.12 -0.81 120.40 126.03 3f08 s VAL 90 Ca -0.04 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.58 3f08 s VAL 90 Cb -0.03 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3f08 s VAL 90 CO -0.00 -0.55 0.37 -0.54 0.00 0.00 0.00 175.10 174.38 3f08 s LYS 91 N 1.45 3.46 0.29 2.72 1.02 0.18 -4.72 119.74 124.14 3f08 s LYS 91 Ca 0.03 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 3f08 s LYS 91 Cb -0.24 -2.87 -0.12 0.00 -0.52 0.00 0.00 37.83 34.08 3f08 s LYS 91 CO 0.02 0.41 1.50 0.39 -0.92 0.00 0.00 175.35 176.76 3f08 n GLU 92 N -1.07 2.44 -0.07 1.68 1.02 -1.26 -0.28 120.64 123.10 3f08 n GLU 92 Ca -0.07 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 3f08 n GLU 92 Cb 0.55 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3f08 n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f08 n GLY 93 N 1.91 -0.71 0.21 0.62 0.00 -1.13 -4.04 105.19 102.06 3f08 n GLY 93 Ca 0.09 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.43 3f08 n GLY 93 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f08 h THR 94 N -0.60 1.21 -4.34 2.61 1.35 -1.93 -3.46 112.91 107.75 3f08 h THR 94 Ca 0.00 -1.00 -0.21 0.00 -0.55 0.00 0.00 66.41 64.65 3f08 h THR 94 Cb 0.00 1.48 -0.13 0.00 -1.73 0.00 0.00 68.15 67.77 3f08 h THR 94 CO 0.00 0.29 -0.46 -1.83 -0.25 0.00 0.00 175.52 173.27 3f08 s GLU 95 N -4.44 1.36 0.58 4.72 -1.05 -1.26 -5.05 118.70 113.56 3f08 s GLU 95 Ca -0.04 -1.56 0.28 0.00 -0.15 0.00 0.00 54.97 53.50 3f08 s GLU 95 Cb 0.15 0.33 1.61 0.00 -0.44 0.00 0.00 34.13 35.78 3f08 s GLU 95 CO 0.72 -0.49 2.08 0.66 0.95 0.00 0.00 175.26 179.18 3f08 h SER 96 N 2.47 0.00 -0.39 0.83 4.64 -1.99 -1.74 113.55 117.37 3f08 h SER 96 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3f08 h SER 96 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3f08 h SER 96 CO 0.47 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.97 3f08 n ASN 97 N -3.89 2.75 -4.33 4.97 0.23 -1.26 -4.26 115.26 109.48 3f08 n ASN 97 Ca 0.02 -1.92 -0.17 0.00 -0.53 0.00 0.00 54.58 51.99 3f08 n ASN 97 Cb 0.36 -0.25 -0.10 0.00 -2.08 0.00 0.00 39.78 37.70 3f08 n ASN 97 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3f08 s THR 98 N -1.49 0.65 -0.07 5.53 -4.23 -0.66 -1.99 115.64 113.38 3f08 s THR 98 Ca 0.36 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.64 3f08 s THR 98 Cb 0.20 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 71.48 3f08 s THR 98 CO 0.27 -0.05 0.52 -0.94 -0.54 0.00 0.00 174.62 173.89 3f08 s SER 99 N -3.32 -0.47 -0.34 3.99 1.04 -0.94 -2.82 113.70 110.83 3f08 s SER 99 Ca 0.36 0.59 -0.14 0.00 0.48 0.00 0.00 55.95 57.25 3f08 s SER 99 Cb 0.08 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 3f08 s SER 99 CO 0.13 -0.45 0.28 -0.22 0.98 0.00 0.00 173.24 173.96 3f08 s LEU 100 N -0.89 4.48 -0.24 2.42 2.96 0.61 -1.17 118.68 126.86 3f08 s LEU 100 Ca -0.09 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 3f08 s LEU 100 Cb -0.03 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 3f08 s LEU 100 CO 0.06 -0.26 0.18 -0.69 -1.32 0.00 0.00 176.35 174.32 3f08 s VAL 101 N 1.82 5.34 -0.09 1.68 1.01 -1.26 0.51 120.40 129.41 3f08 s VAL 101 Ca 0.08 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3f08 s VAL 101 Cb -0.17 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3f08 s VAL 101 CO 0.11 0.34 -0.19 -0.70 0.00 0.00 0.00 175.10 174.66 3f08 s GLU 102 N 1.07 2.96 -0.13 2.72 2.12 0.01 -4.31 118.70 123.14 3f08 s GLU 102 Ca 0.09 -0.79 -0.00 0.00 0.36 0.00 0.00 54.97 54.63 3f08 s GLU 102 Cb -0.14 -2.39 0.02 0.00 0.26 0.00 0.00 34.13 31.88 3f08 s GLU 102 CO 0.05 0.31 -0.11 -0.46 -0.54 0.00 0.00 175.26 174.50 3f08 s TRP 103 N 0.05 1.86 0.10 5.30 -0.11 -0.49 -0.86 118.94 124.79 3f08 s TRP 103 Ca -0.08 -1.01 0.03 0.00 1.22 0.00 0.00 56.10 56.27 3f08 s TRP 103 Cb -0.15 -1.43 -0.04 0.00 -1.50 0.00 0.00 33.47 30.35 3f08 s TRP 103 CO 0.05 -0.60 -0.09 -1.54 -4.62 0.00 0.00 176.95 170.15 3f08 s SER 104 N 1.59 1.37 0.03 5.86 1.04 -0.50 -1.64 113.70 121.46 3f08 s SER 104 Ca 0.05 -0.84 -0.12 0.00 0.48 0.00 0.00 55.95 55.52 3f08 s SER 104 Cb -0.13 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3f08 s SER 104 CO -0.10 -0.30 0.25 -0.83 0.98 0.00 0.00 173.24 173.24 3f08 s GLY 105 N -2.53 -0.05 -0.03 7.32 0.00 -0.59 -0.77 107.32 110.67 3f08 s GLY 105 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.76 3f08 s GLY 105 CO -0.01 -0.26 -0.16 -1.08 0.00 0.00 0.00 173.10 171.59 3f08 s THR 106 N -2.27 1.35 0.01 0.90 -1.32 -0.25 -1.93 115.64 112.13 3f08 s THR 106 Ca -0.07 -0.69 -0.28 0.00 -1.21 0.00 0.00 61.69 59.44 3f08 s THR 106 Cb -0.02 -1.15 0.09 0.00 -1.51 0.00 0.00 72.50 69.91 3f08 s THR 106 CO -0.02 0.39 0.76 0.72 -2.21 0.00 0.00 174.62 174.26 3f08 s PHE 107 N -0.09 -0.49 -0.30 9.09 -0.71 0.67 -1.37 117.98 124.79 3f08 s PHE 107 Ca -0.00 0.54 -0.08 0.00 -1.04 0.00 0.00 56.93 56.35 3f08 s PHE 107 Cb -0.10 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.22 3f08 s PHE 107 CO 0.01 -0.63 0.11 0.99 -1.34 0.00 0.00 175.22 174.36 3f08 s THR 108 N -2.53 4.17 0.60 -4.49 2.01 0.01 -1.52 115.64 113.89 3f08 s THR 108 Ca -0.01 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 3f08 s THR 108 Cb -0.01 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3f08 s THR 108 CO -0.04 0.06 1.19 -2.16 -0.69 0.00 0.00 174.62 172.98 3f08 s PRO 109 N 1.53 2.97 -0.18 4.92 0.04 -1.26 -0.12 135.00 142.90 3f08 s PRO 109 Ca 0.03 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3f08 s PRO 109 Cb -0.17 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.47 3f08 s PRO 109 CO 0.04 -1.19 -0.10 0.08 0.04 0.00 0.00 177.00 175.86 3f08 s VAL 110 N -1.69 1.50 0.00 -0.36 1.01 0.70 -4.74 120.40 116.82 3f08 s VAL 110 Ca 0.76 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3f08 s VAL 110 Cb -0.29 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3f08 s VAL 110 CO 0.33 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.67 3f08 n ALA 111 N 4.75 0.00 -2.40 5.51 0.00 -1.26 -4.67 120.51 122.44 3f08 n ALA 111 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 3f08 n ALA 111 Cb 0.48 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 3f08 n ALA 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3f08 s VAL 112 N -1.96 1.24 0.66 0.00 -7.23 -1.26 -5.15 120.40 106.70 3f08 s VAL 112 Ca 0.00 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.03 3f08 s VAL 112 Cb 0.00 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3f08 s VAL 112 CO 0.00 -0.19 1.04 -0.94 -0.31 0.00 0.00 175.10 174.70 3f08 s SER 113 N -3.41 5.66 0.22 4.85 1.04 -1.26 -4.85 113.70 115.94 3f08 s SER 113 Ca 0.32 1.11 -0.09 0.00 0.48 0.00 0.00 55.95 57.78 3f08 s SER 113 Cb 0.06 -2.01 0.25 0.00 0.10 0.00 0.00 66.02 64.42 3f08 s SER 113 CO 0.12 -1.17 1.83 0.44 0.98 0.00 0.00 173.24 175.44 3f08 h ASP 114 N -0.47 0.66 -0.11 7.02 5.19 -1.99 -1.84 116.42 124.88 3f08 h ASP 114 Ca -0.45 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.98 3f08 h ASP 114 Cb 1.24 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3f08 h ASP 114 CO 0.63 0.43 0.06 -0.33 -3.12 0.00 0.00 179.24 176.91 3f08 h GLU 115 N 0.79 0.15 -0.55 3.56 3.07 -1.99 0.62 114.58 120.24 3f08 h GLU 115 Ca 0.31 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.20 3f08 h GLU 115 Cb 0.14 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3f08 h GLU 115 CO -0.16 0.17 0.29 1.49 -1.40 0.00 0.00 179.01 179.39 3f08 h GLU 116 N 0.09 0.54 -0.13 2.33 4.81 -1.87 0.06 114.58 120.41 3f08 h GLU 116 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3f08 h GLU 116 Cb 0.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3f08 h GLU 116 CO -0.01 0.36 0.03 0.00 -0.73 0.00 0.00 179.01 178.66 3f08 h ALA 117 N 1.29 0.17 -0.37 2.92 0.00 -1.14 -2.39 119.26 119.74 3f08 h ALA 117 Ca 0.24 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3f08 h ALA 117 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3f08 h ALA 117 CO -0.16 -0.18 0.20 0.82 0.00 0.00 0.00 179.25 179.93 3f08 h ILE 118 N 0.01 1.01 -0.73 0.00 2.04 -0.58 -2.07 117.51 117.19 3f08 h ILE 118 Ca 0.04 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3f08 h ILE 118 Cb 0.27 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3f08 h ILE 118 CO 0.00 0.08 0.47 0.78 0.00 0.00 0.00 178.15 179.47 3f08 h ASN 119 N 0.41 0.78 0.40 1.72 2.35 -0.93 0.28 115.58 120.60 3f08 h ASN 119 Ca 0.15 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3f08 h ASN 119 Cb 0.03 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3f08 h ASN 119 CO -0.09 0.55 -0.23 0.25 -1.65 0.00 0.00 177.43 176.26 3f08 h LEU 120 N 0.93 -0.57 0.80 1.61 6.46 -1.11 0.17 115.31 123.59 3f08 h LEU 120 Ca 0.28 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.03 3f08 h LEU 120 Cb -0.03 0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3f08 h LEU 120 CO -0.09 -0.38 -0.39 0.58 -0.62 0.00 0.00 178.44 177.55 3f08 h VAL 121 N -0.60 0.00 -0.99 1.05 2.07 -1.14 -2.20 116.25 114.44 3f08 h VAL 121 Ca -0.05 -0.04 0.25 0.00 0.82 0.00 0.00 66.70 67.69 3f08 h VAL 121 Cb 0.49 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 3f08 h VAL 121 CO 0.06 0.00 0.66 -0.74 0.02 0.00 0.00 177.57 177.57 3f08 h HIS 122 N -1.11 0.49 -0.49 1.57 -0.00 -0.48 0.24 115.15 115.37 3f08 h HIS 122 Ca -0.11 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.20 3f08 h HIS 122 Cb 0.83 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 28.07 3f08 h HIS 122 CO 0.04 0.08 -0.01 0.78 -0.00 0.00 0.00 177.93 178.82 3f08 h GLY 123 N 0.33 0.89 0.82 5.26 0.00 -0.39 0.30 103.07 110.29 3f08 h GLY 123 Ca 0.53 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 3f08 h GLY 123 CO -0.20 0.56 -0.39 -2.22 0.00 0.00 0.00 176.54 174.30 3f08 h ILE 124 N 0.77 1.37 0.67 2.60 2.04 0.03 -2.09 117.51 122.91 3f08 h ILE 124 Ca 0.15 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 3f08 h ILE 124 Cb 0.48 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3f08 h ILE 124 CO 0.02 0.51 -0.37 1.88 0.00 0.00 0.00 178.15 180.18 3f08 h TYR 125 N 0.07 -0.98 -0.38 1.37 -1.99 -0.90 -0.58 116.97 113.57 3f08 h TYR 125 Ca -0.01 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.78 3f08 h TYR 125 Cb 1.01 0.34 -0.07 0.00 2.00 0.00 0.00 36.73 40.01 3f08 h TYR 125 CO 0.11 -0.58 -0.07 1.03 -0.00 0.00 0.00 178.16 178.64 3f08 h SER 126 N -0.97 -0.31 -0.42 3.88 0.87 -0.47 -0.93 113.55 115.19 3f08 h SER 126 Ca -0.09 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3f08 h SER 126 Cb 0.77 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3f08 h SER 126 CO 0.11 -0.11 0.15 0.44 -0.53 0.00 0.00 176.83 176.90 3f08 h ASP 127 N 0.02 0.65 -0.06 6.23 3.32 -1.32 -1.62 116.42 123.64 3f08 h ASP 127 Ca 0.19 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3f08 h ASP 127 Cb 0.28 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3f08 h ASP 127 CO -0.38 0.62 0.00 1.23 -1.72 0.00 0.00 179.24 178.99 3f08 h GLY 128 N 0.87 0.11 1.52 2.75 0.00 0.15 -0.88 103.07 107.59 3f08 h GLY 128 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 3f08 h GLY 128 CO -0.01 0.07 -0.18 1.41 0.00 0.00 0.00 176.54 177.83 3f08 h LEU 129 N -0.18 0.56 -0.34 3.11 3.38 -1.17 0.21 115.31 120.89 3f08 h LEU 129 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3f08 h LEU 129 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3f08 h LEU 129 CO 0.00 0.75 0.22 0.50 0.09 0.00 0.00 178.44 180.00 3f08 h LYS 130 N 0.51 0.44 -0.46 1.13 1.63 -1.19 0.54 116.57 119.17 3f08 h LYS 130 Ca 0.08 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 3f08 h LYS 130 Cb 0.60 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 3f08 h LYS 130 CO 0.04 0.29 -0.02 0.00 -3.45 0.00 0.00 179.45 176.31 3f08 h ALA 131 N 1.13 1.11 -0.65 5.00 0.00 -0.57 -2.13 119.26 123.16 3f08 h ALA 131 Ca 0.12 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3f08 h ALA 131 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3f08 h ALA 131 CO -0.03 0.56 0.05 1.25 0.00 0.00 0.00 179.25 181.09 3f08 h LEU 132 N 0.71 1.07 -0.88 0.00 5.85 0.50 -2.54 115.31 120.02 3f08 h LEU 132 Ca 0.14 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 3f08 h LEU 132 Cb 0.46 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3f08 h LEU 132 CO 0.02 1.09 -0.52 0.06 -0.34 0.00 0.00 178.44 178.75 3f08 h GLN 133 N 1.02 0.09 0.00 1.25 3.07 0.37 -2.72 115.11 118.19 3f08 h GLN 133 Ca 0.19 -0.05 -0.05 0.00 0.09 0.00 0.00 58.65 58.82 3f08 h GLN 133 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 3f08 h GLN 133 CO 0.02 0.59 -0.25 0.45 0.09 0.00 0.00 178.83 179.74 3f08 h HIS 134 N 0.07 0.00 -0.42 0.06 3.86 -1.19 -3.07 115.15 114.47 3f08 h HIS 134 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 3f08 h HIS 134 Cb 0.95 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 3f08 h HIS 134 CO 0.01 0.25 -0.27 0.00 0.86 0.00 0.00 177.93 178.77 3f08 h ALA 135 N 1.75 0.73 -0.12 2.45 0.00 -1.13 -2.82 119.26 120.13 3f08 h ALA 135 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3f08 h ALA 135 Cb 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3f08 h ALA 135 CO 0.03 0.66 0.00 1.19 0.00 0.00 0.00 179.25 181.13 3f08 n PHE 136 N -4.09 0.27 0.38 0.00 3.72 -1.16 -2.55 117.46 114.02 3f08 n PHE 136 Ca -0.00 -0.11 0.04 0.00 -0.05 0.00 0.00 57.45 57.33 3f08 n PHE 136 Cb 0.47 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 3f08 n PHE 136 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3f08 n LEU 137 N -0.01 0.63 -0.54 4.37 4.32 -1.07 -4.73 117.00 119.97 3f08 n LEU 137 Ca 0.05 -0.59 0.14 0.00 -0.02 0.00 0.00 56.01 55.58 3f08 n LEU 137 Cb 0.26 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 42.53 3f08 n LEU 137 CO 0.04 0.14 0.84 0.47 -1.22 0.00 0.00 177.39 177.67