#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8z n GLY 2 N 0.00 1.48 3.75 2.92 0.00 0.78 -5.03 105.19 109.09 3f8z n GLY 2 Ca 0.00 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 3f8z n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f8z s SER 3 N -1.00 5.08 -0.18 1.61 1.04 -1.26 -4.69 113.70 114.31 3f8z s SER 3 Ca 0.00 2.35 -0.10 0.00 0.48 0.00 0.00 55.95 58.68 3f8z s SER 3 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 3f8z s SER 3 CO 0.00 -1.66 0.15 -0.22 0.98 0.00 0.00 173.24 172.48 3f8z s LEU 4 N -4.25 4.26 -0.00 2.42 2.96 -1.26 -0.87 118.68 121.93 3f8z s LEU 4 Ca 0.76 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.93 3f8z s LEU 4 Cb -0.29 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.29 3f8z s LEU 4 CO 0.35 0.23 0.10 0.20 -1.32 0.00 0.00 176.35 175.91 3f8z s ASN 5 N 0.02 0.05 0.09 3.68 0.01 -0.28 -2.59 114.94 115.92 3f8z s ASN 5 Ca 0.10 -0.21 0.07 0.00 -0.71 0.00 0.00 52.86 52.12 3f8z s ASN 5 Cb -0.11 0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.70 3f8z s ASN 5 CO 0.00 -0.32 -0.12 0.00 -1.51 0.00 0.00 177.10 175.16 3f8z s ILE 7 N -1.16 0.15 -0.04 0.00 2.07 -0.67 -0.31 121.20 121.23 3f8z s ILE 7 Ca 0.20 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.18 3f8z s ILE 7 Cb -0.11 -0.19 0.06 0.00 0.13 0.00 0.00 42.46 42.35 3f8z s ILE 7 CO 0.12 0.09 0.57 0.54 -1.91 0.00 0.00 174.94 174.35 3f8z s VAL 8 N 0.45 0.02 -0.08 4.00 0.11 -0.64 -4.52 120.40 119.74 3f8z s VAL 8 Ca -0.04 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 3f8z s VAL 8 Cb -0.07 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 3f8z s VAL 8 CO -0.01 -0.08 -0.15 0.00 -3.33 0.00 0.00 175.10 171.53 3f8z s ALA 9 N -1.25 2.59 -0.01 1.54 0.00 -1.26 -1.51 121.76 121.86 3f8z s ALA 9 Ca -0.12 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3f8z s ALA 9 Cb -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.09 3f8z s ALA 9 CO 0.08 0.43 -0.02 0.08 0.00 0.00 0.00 175.76 176.33 3f8z s VAL 10 N -0.28 0.23 0.89 0.00 1.01 -0.03 -4.64 120.40 117.57 3f8z s VAL 10 Ca 0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 3f8z s VAL 10 Cb -0.13 -0.23 0.13 0.00 0.00 0.00 0.00 36.38 36.15 3f8z s VAL 10 CO 0.03 0.09 1.16 -0.94 0.00 0.00 0.00 175.10 175.44 3f8z s SER 11 N 0.27 3.73 0.36 3.32 1.04 -0.77 -0.30 113.70 121.35 3f8z s SER 11 Ca -0.02 0.87 0.09 0.00 0.48 0.00 0.00 55.95 57.36 3f8z s SER 11 Cb -0.05 -1.38 0.83 0.00 0.10 0.00 0.00 66.02 65.52 3f8z s SER 11 CO -0.01 -2.40 1.87 1.56 0.98 0.00 0.00 173.24 175.25 3f8z h GLN 12 N -1.40 0.66 -0.74 4.02 4.20 -0.83 -0.04 115.11 120.98 3f8z h GLN 12 Ca -0.49 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.18 3f8z h GLN 12 Cb 1.33 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3f8z h GLN 12 CO 0.61 0.44 0.00 0.27 -0.67 0.00 0.00 178.83 179.48 3f8z n ASN 13 N -4.56 3.33 -0.49 1.46 6.94 -1.26 -4.89 115.26 115.79 3f8z n ASN 13 Ca 0.17 -2.44 -0.06 0.00 -0.02 0.00 0.00 54.58 52.23 3f8z n ASN 13 Cb 0.47 -0.56 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 3f8z n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3f8z n MET 14 N 0.36 -0.57 -2.96 -3.83 2.81 -0.03 -4.98 117.12 107.93 3f8z n MET 14 Ca 0.14 0.67 -0.38 0.00 -1.81 0.00 0.00 57.70 56.32 3f8z n MET 14 Cb 0.70 -4.45 -0.06 0.00 -0.71 0.00 0.00 33.22 28.70 3f8z n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3f8z s GLY 15 N -2.76 2.86 0.00 3.03 0.00 -1.26 -0.53 107.32 108.67 3f8z s GLY 15 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.09 3f8z s GLY 15 CO 0.00 0.84 0.00 0.29 0.00 0.00 0.00 173.10 174.23 3f8z n ILE 16 N 1.27 0.00 -3.47 0.90 -5.35 0.80 -1.84 119.36 111.67 3f8z n ILE 16 Ca -0.04 -0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 3f8z n ILE 16 Cb 0.49 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 39.02 3f8z n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3f8z s GLY 17 N -1.02 -0.57 -0.18 3.28 0.00 -1.10 -4.42 107.32 103.31 3f8z s GLY 17 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 44.72 45.30 3f8z s GLY 17 CO 0.00 0.32 0.38 1.25 0.00 0.00 0.00 173.10 175.05 3f8z s LYS 18 N -3.08 0.30 -1.49 2.90 2.20 0.14 -0.87 119.74 119.84 3f8z s LYS 18 Ca -0.02 0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 56.38 3f8z s LYS 18 Cb -0.01 0.17 0.07 0.00 -1.51 0.00 0.00 37.83 36.56 3f8z s LYS 18 CO -0.07 -0.24 0.90 0.09 -0.36 0.00 0.00 175.35 175.67 3f8z n ASN 19 N 5.11 -4.96 -0.01 1.43 3.02 -1.26 -1.72 115.26 116.88 3f8z n ASN 19 Ca -0.12 -0.66 -0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3f8z n ASN 19 Cb 0.51 -3.97 -0.00 0.00 -0.61 0.00 0.00 39.78 35.70 3f8z n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f8z n GLY 20 N -1.63 0.47 3.39 7.41 0.00 -1.26 -5.02 105.19 108.55 3f8z n GLY 20 Ca 0.02 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3f8z n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f8z s ASP 21 N -2.18 1.89 0.50 1.61 -1.08 -0.70 -4.65 116.67 112.06 3f8z s ASP 21 Ca 0.00 -1.53 -0.21 0.00 -0.52 0.00 0.00 52.55 50.29 3f8z s ASP 21 Cb 0.00 0.31 -0.07 0.00 -1.46 0.00 0.00 42.92 41.70 3f8z s ASP 21 CO 0.00 -0.83 1.14 -0.76 0.52 0.00 0.00 175.17 175.23 3f8z s LEU 22 N -3.43 3.89 0.41 -1.34 1.43 -1.26 0.25 118.68 118.63 3f8z s LEU 22 Ca 0.33 2.21 0.29 0.00 -1.03 0.00 0.00 54.13 55.94 3f8z s LEU 22 Cb 0.05 -4.41 1.22 0.00 0.03 0.00 0.00 46.19 43.08 3f8z s LEU 22 CO 0.16 -1.03 1.86 -0.65 0.23 0.00 0.00 176.35 176.92 3f8z h PRO 23 N 1.66 0.00 -6.17 1.29 0.11 -1.84 -3.42 132.00 123.63 3f8z h PRO 23 Ca -0.50 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.05 3f8z h PRO 23 Cb 1.25 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 3f8z h PRO 23 CO 0.59 0.00 -0.63 1.67 -0.21 0.00 0.00 178.00 179.41 3f8z s TRP 24 N -3.51 2.67 0.83 0.65 -2.14 -1.26 -4.80 118.94 111.37 3f8z s TRP 24 Ca 0.02 -0.27 -0.13 0.00 2.66 0.00 0.00 56.10 58.39 3f8z s TRP 24 Cb 0.09 -1.27 0.09 0.00 -3.10 0.00 0.00 33.47 29.28 3f8z s TRP 24 CO 0.46 0.58 1.17 -2.30 -2.66 0.00 0.00 176.95 174.19 3f8z n PRO 25 N -0.92 0.07 -1.62 3.25 -0.02 -1.26 -4.90 135.00 129.60 3f8z n PRO 25 Ca -0.06 0.10 -0.52 0.00 -2.02 0.00 0.00 63.50 61.01 3f8z n PRO 25 Cb 0.60 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3f8z n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3f8z n PRO 26 N -3.36 1.30 -3.92 0.52 -0.02 -1.26 -4.97 135.00 123.30 3f8z n PRO 26 Ca 0.13 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 3f8z n PRO 26 Cb 0.51 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 3f8z n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3f8z s LEU 27 N 0.99 4.85 0.14 2.45 1.43 -1.26 -4.93 118.68 122.34 3f8z s LEU 27 Ca 0.86 -2.36 -0.21 0.00 -1.03 0.00 0.00 54.13 51.38 3f8z s LEU 27 Cb -0.93 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 43.59 3f8z s LEU 27 CO 0.48 -0.39 1.67 0.03 0.23 0.00 0.00 176.35 178.36 3f8z h ARG 28 N 7.45 -0.15 0.00 1.70 -0.00 -1.98 0.57 114.38 121.97 3f8z h ARG 28 Ca -0.07 0.01 -0.10 0.00 -0.50 0.00 0.00 59.98 59.32 3f8z h ARG 28 Cb 1.00 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.98 3f8z h ARG 28 CO 0.62 -0.10 -0.48 -0.91 0.00 0.00 0.00 179.97 179.10 3f8z h ASN 29 N -0.15 0.00 -0.21 7.04 2.35 -1.98 0.11 115.58 122.74 3f8z h ASN 29 Ca 0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3f8z h ASN 29 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3f8z h ASN 29 CO -0.28 0.48 0.10 -0.08 -1.65 0.00 0.00 177.43 176.00 3f8z h GLU 30 N 0.00 0.31 -0.65 0.81 4.22 -1.76 -0.98 114.58 116.53 3f8z h GLU 30 Ca -0.00 -0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.44 3f8z h GLU 30 Cb 1.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 3f8z h GLU 30 CO 0.06 0.33 0.37 0.74 -2.18 0.00 0.00 179.01 178.34 3f8z h PHE 31 N 0.21 0.68 -0.98 0.92 0.04 -0.74 -1.99 116.94 115.08 3f8z h PHE 31 Ca 0.07 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.99 3f8z h PHE 31 Cb 0.13 -0.21 -0.09 0.00 2.20 0.00 0.00 35.95 37.98 3f8z h PHE 31 CO -0.02 0.35 0.61 0.00 -0.60 0.00 0.00 178.31 178.64 3f8z h ARG 32 N 0.70 0.92 -0.10 1.51 3.08 -0.42 -1.52 114.38 118.55 3f8z h ARG 32 Ca 0.28 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3f8z h ARG 32 Cb 0.14 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3f8z h ARG 32 CO -0.16 0.61 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.43 3f8z h TYR 33 N 0.95 0.20 -0.55 3.04 5.03 -0.70 -0.65 116.97 124.29 3f8z h TYR 33 Ca 0.49 -0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.88 3f8z h TYR 33 Cb 0.50 -0.05 -0.09 0.00 1.55 0.00 0.00 36.73 38.64 3f8z h TYR 33 CO -0.01 0.44 -0.03 0.35 -1.32 0.00 0.00 178.16 177.59 3f8z h PHE 34 N -0.11 -0.09 0.01 -3.82 3.57 -1.02 -0.40 116.94 115.08 3f8z h PHE 34 Ca 0.03 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3f8z h PHE 34 Cb 0.37 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3f8z h PHE 34 CO 0.04 -0.16 -0.01 0.77 -2.23 0.00 0.00 178.31 176.73 3f8z h SER 35 N 0.09 -0.01 -0.28 0.41 0.02 -1.08 -1.30 113.55 111.40 3f8z h SER 35 Ca 0.28 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3f8z h SER 35 Cb 0.43 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 3f8z h SER 35 CO -0.48 0.06 -0.05 -0.09 -1.14 0.00 0.00 176.83 175.13 3f8z h ARG 36 N -0.09 0.02 -0.24 3.45 2.43 -0.90 -0.92 114.38 118.13 3f8z h ARG 36 Ca -0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3f8z h ARG 36 Cb 0.08 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3f8z h ARG 36 CO 0.00 0.02 -0.03 0.52 -1.51 0.00 0.00 179.97 178.97 3f8z h MET 37 N 0.02 0.44 0.00 0.20 2.86 -0.93 -1.59 114.93 115.94 3f8z h MET 37 Ca 0.14 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 3f8z h MET 37 Cb 0.20 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3f8z h MET 37 CO -0.27 0.64 -0.59 1.79 1.06 0.00 0.00 176.91 179.54 3f8z h THR 38 N 0.20 1.22 0.09 2.22 1.35 -1.20 -3.32 112.91 113.47 3f8z h THR 38 Ca 0.07 -2.19 -0.31 0.00 -0.55 0.00 0.00 66.41 63.43 3f8z h THR 38 Cb 0.46 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 3f8z h THR 38 CO 0.02 0.58 -1.64 0.74 -0.25 0.00 0.00 175.52 174.97 3f8z h THR 39 N 0.00 1.01 -2.79 6.82 2.02 -1.10 -3.43 112.91 115.44 3f8z h THR 39 Ca -0.01 -2.71 -0.56 0.00 0.77 0.00 0.00 66.41 63.90 3f8z h THR 39 Cb 1.20 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 70.23 3f8z h THR 39 CO 0.08 0.77 1.09 -0.89 0.37 0.00 0.00 175.52 176.94 3f8z s THR 40 N -2.61 3.76 -0.07 3.16 2.01 -0.61 -4.58 115.64 116.71 3f8z s THR 40 Ca -0.10 0.87 0.01 0.00 0.31 0.00 0.00 61.69 62.78 3f8z s THR 40 Cb 0.07 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3f8z s THR 40 CO 0.83 -0.27 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.86 3f8z s SER 41 N 3.85 4.58 0.25 3.53 0.15 -1.26 -4.94 113.70 119.86 3f8z s SER 41 Ca 0.69 -0.05 0.10 0.00 0.70 0.00 0.00 55.95 57.39 3f8z s SER 41 Cb -0.25 -1.18 0.28 0.00 -1.71 0.00 0.00 66.02 63.16 3f8z s SER 41 CO 0.28 0.35 1.57 0.77 1.20 0.00 0.00 173.24 177.40 3f8z h SER 42 N 5.36 0.00 -3.42 5.45 4.64 -1.94 -3.46 113.55 120.18 3f8z h SER 42 Ca -0.47 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 3f8z h SER 42 Cb 1.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 3f8z h SER 42 CO 0.53 0.67 -0.43 -0.69 -0.87 0.00 0.00 176.83 176.03 3f8z s VAL 43 N -3.48 5.35 0.07 0.95 1.01 -1.26 -5.03 120.40 118.00 3f8z s VAL 43 Ca -0.01 0.31 -0.36 0.00 0.00 0.00 0.00 61.98 61.92 3f8z s VAL 43 Cb 0.12 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.81 3f8z s VAL 43 CO 0.77 0.37 1.51 1.21 0.00 0.00 0.00 175.10 178.96 3f8z n GLU 44 N 3.93 1.61 -1.22 2.72 4.07 -1.26 -2.30 120.64 128.19 3f8z n GLU 44 Ca -0.14 0.58 -0.08 0.00 -0.06 0.00 0.00 57.16 57.46 3f8z n GLU 44 Cb 0.52 -2.29 -0.03 0.00 -0.06 0.00 0.00 31.44 29.57 3f8z n GLU 44 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3f8z n GLY 45 N 3.15 0.96 3.47 8.31 0.00 -1.26 -5.01 105.19 114.80 3f8z n GLY 45 Ca 0.19 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 3f8z n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f8z s LYS 46 N -2.53 1.67 0.24 1.61 1.02 -0.97 -4.85 119.74 115.92 3f8z s LYS 46 Ca 0.00 -1.72 0.11 0.00 0.02 0.00 0.00 55.97 54.39 3f8z s LYS 46 Cb 0.00 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 3f8z s LYS 46 CO 0.00 0.34 -0.20 -0.65 -0.92 0.00 0.00 175.35 173.92 3f8z s GLN 47 N -3.36 1.67 0.48 1.68 -0.21 -0.55 -4.86 119.66 114.51 3f8z s GLN 47 Ca 0.28 -1.62 -0.19 0.00 0.02 0.00 0.00 55.36 53.85 3f8z s GLN 47 Cb -0.06 -1.84 -0.09 0.00 1.00 0.00 0.00 33.01 32.02 3f8z s GLN 47 CO 0.14 0.37 0.98 -0.80 -2.12 0.00 0.00 175.29 173.85 3f8z s ASN 48 N -3.14 6.72 -0.16 5.90 0.01 -1.26 -0.64 114.94 122.37 3f8z s ASN 48 Ca 0.26 1.66 -0.07 0.00 -0.71 0.00 0.00 52.86 54.00 3f8z s ASN 48 Cb -0.06 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 3f8z s ASN 48 CO 0.13 -0.52 0.08 -0.22 -1.51 0.00 0.00 177.10 175.06 3f8z s LEU 49 N -3.64 3.97 -0.14 0.60 2.96 0.35 -0.98 118.68 121.80 3f8z s LEU 49 Ca 0.61 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 3f8z s LEU 49 Cb -0.10 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3f8z s LEU 49 CO 0.22 0.26 -0.02 0.68 -1.32 0.00 0.00 176.35 176.17 3f8z s VAL 50 N -0.12 4.10 -0.12 1.68 -7.23 0.13 -0.23 120.40 118.61 3f8z s VAL 50 Ca 0.08 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.97 3f8z s VAL 50 Cb -0.12 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 3f8z s VAL 50 CO 0.01 0.52 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.50 3f8z s ILE 51 N 0.04 2.54 -0.00 -0.62 1.01 0.15 -0.61 121.20 123.71 3f8z s ILE 51 Ca 0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 3f8z s ILE 51 Cb -0.13 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.33 3f8z s ILE 51 CO 0.02 0.54 0.27 0.00 0.00 0.00 0.00 174.94 175.77 3f8z s MET 52 N 0.39 0.64 0.95 2.79 0.23 -0.53 -1.71 119.30 122.06 3f8z s MET 52 Ca -0.14 -0.28 -0.11 0.00 -1.03 0.00 0.00 55.69 54.13 3f8z s MET 52 Cb -0.17 0.28 0.16 0.00 -1.53 0.00 0.00 34.83 33.57 3f8z s MET 52 CO 0.07 -0.18 1.10 0.20 -2.03 0.00 0.00 175.02 174.18 3f8z s GLY 53 N -1.44 1.63 0.16 3.16 0.00 0.72 -0.38 107.32 111.17 3f8z s GLY 53 Ca -0.13 0.20 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 3f8z s GLY 53 CO 0.03 0.70 1.77 1.70 0.00 0.00 0.00 173.10 177.29 3f8z h LYS 54 N -1.86 0.34 -0.79 2.90 3.64 -1.81 -2.17 116.57 116.82 3f8z h LYS 54 Ca -0.49 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3f8z h LYS 54 Cb 1.28 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 3f8z h LYS 54 CO 0.48 0.22 0.40 -0.22 -2.27 0.00 0.00 179.45 178.07 3f8z h LYS 55 N 0.35 1.11 -0.15 1.90 3.64 -1.93 -2.35 116.57 119.14 3f8z h LYS 55 Ca 0.16 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3f8z h LYS 55 Cb 0.10 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3f8z h LYS 55 CO -0.13 0.83 0.06 1.15 -2.27 0.00 0.00 179.45 179.09 3f8z h THR 56 N 1.11 1.16 -0.45 1.00 2.02 -1.84 -0.59 112.91 115.31 3f8z h THR 56 Ca 0.27 -0.47 0.07 0.00 0.77 0.00 0.00 66.41 67.05 3f8z h THR 56 Cb 0.07 1.19 -0.09 0.00 -1.74 0.00 0.00 68.15 67.58 3f8z h THR 56 CO -0.04 0.15 -0.45 -0.25 0.37 0.00 0.00 175.52 175.30 3f8z h TRP 57 N 0.09 -1.32 0.00 3.16 2.91 -1.19 -2.25 115.95 117.35 3f8z h TRP 57 Ca 0.05 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3f8z h TRP 57 Cb 0.18 0.64 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 3f8z h TRP 57 CO -0.01 -0.44 0.00 0.74 -1.03 0.00 0.00 178.44 177.69 3f8z h PHE 58 N -0.31 0.00 0.00 2.65 -1.00 -1.11 -1.83 116.94 115.34 3f8z h PHE 58 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3f8z h PHE 58 Cb 0.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 3f8z h PHE 58 CO -0.66 0.00 0.00 0.66 -1.61 0.00 0.00 178.31 176.70 3f8z h SER 59 N 0.00 0.00 -3.44 2.17 4.64 -0.50 -3.45 113.55 112.97 3f8z h SER 59 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3f8z h SER 59 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3f8z h SER 59 CO 0.00 0.00 0.31 -0.63 -0.87 0.00 0.00 176.83 175.64 3f8z s ILE 60 N -3.27 4.80 0.19 0.95 1.01 -0.69 -4.92 121.20 119.27 3f8z s ILE 60 Ca 0.07 1.94 -0.32 0.00 0.00 0.00 0.00 60.65 62.34 3f8z s ILE 60 Cb 0.10 -4.27 -0.15 0.00 0.01 0.00 0.00 42.46 38.15 3f8z s ILE 60 CO 0.53 0.23 1.20 -2.65 0.00 0.00 0.00 174.94 174.25 3f8z n PRO 61 N 3.53 1.33 -0.32 2.79 -0.02 -1.26 -4.80 135.00 136.25 3f8z n PRO 61 Ca 0.03 0.47 0.18 0.00 -2.02 0.00 0.00 63.50 62.17 3f8z n PRO 61 Cb 0.51 -1.99 0.39 0.00 -0.02 0.00 0.00 33.50 32.38 3f8z n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3f8z h GLU 62 N 3.44 0.29 0.00 -0.52 4.81 -1.93 0.14 114.58 120.82 3f8z h GLU 62 Ca -0.43 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3f8z h GLU 62 Cb 1.33 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 3f8z h GLU 62 CO 0.71 0.19 -0.07 1.57 -0.73 0.00 0.00 179.01 180.68 3f8z h LYS 63 N 0.30 0.00 -0.26 1.92 5.09 -2.01 -2.74 116.57 118.88 3f8z h LYS 63 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.39 3f8z h LYS 63 Cb 1.38 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.71 3f8z h LYS 63 CO -0.61 0.07 0.00 0.43 -2.09 0.00 0.00 179.45 177.25 3f8z n SER 64 N -3.59 3.31 -4.55 7.07 7.64 0.48 -4.92 113.62 119.07 3f8z n SER 64 Ca -0.02 -2.00 -0.34 0.00 1.01 0.00 0.00 58.87 57.52 3f8z n SER 64 Cb 0.18 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 3f8z n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3f8z s ARG 65 N -1.68 3.79 0.80 1.43 0.52 -1.03 -3.47 118.95 119.31 3f8z s ARG 65 Ca 0.35 -0.45 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 3f8z s ARG 65 Cb 0.22 -3.04 0.07 0.00 0.52 0.00 0.00 34.95 32.72 3f8z s ARG 65 CO 0.31 0.24 1.10 -1.25 0.02 0.00 0.00 175.30 175.72 3f8z s PRO 66 N 0.40 2.01 -0.17 3.54 0.04 -1.25 -4.95 135.00 134.61 3f8z s PRO 66 Ca -0.01 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 3f8z s PRO 66 Cb -0.13 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3f8z s PRO 66 CO 0.02 -1.81 2.06 -0.51 0.04 0.00 0.00 177.00 176.79 3f8z s LEU 67 N -6.02 3.71 0.39 -3.56 1.43 -1.23 -4.90 118.68 108.51 3f8z s LEU 67 Ca 0.62 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 55.43 3f8z s LEU 67 Cb -0.18 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 3f8z s LEU 67 CO 0.56 -1.66 1.23 -1.59 0.23 0.00 0.00 176.35 175.12 3f8z s LYS 68 N 5.69 4.05 0.00 1.70 -2.85 -1.26 -2.70 119.74 124.37 3f8z s LYS 68 Ca 0.93 1.98 0.00 0.00 -1.00 0.00 0.00 55.97 57.88 3f8z s LYS 68 Cb -0.33 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 32.69 3f8z s LYS 68 CO 0.36 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.85 3f8z n GLY 69 N 0.68 0.50 3.25 0.59 0.00 -1.26 -4.96 105.19 103.99 3f8z n GLY 69 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3f8z n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f8z s ARG 70 N -0.42 1.05 -0.06 1.61 0.52 -1.10 -4.49 118.95 116.06 3f8z s ARG 70 Ca 0.00 -1.18 -0.26 0.00 -0.52 0.00 0.00 55.73 53.77 3f8z s ARG 70 Cb 0.00 -1.11 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 3f8z s ARG 70 CO 0.00 0.24 0.81 0.42 0.02 0.00 0.00 175.30 176.79 3f8z s ILE 71 N -1.64 4.97 -0.32 1.52 1.01 -0.15 -4.79 121.20 121.80 3f8z s ILE 71 Ca 0.07 1.67 -0.07 0.00 0.00 0.00 0.00 60.65 62.32 3f8z s ILE 71 Cb -0.08 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.27 3f8z s ILE 71 CO 0.04 0.19 0.11 0.20 0.00 0.00 0.00 174.94 175.48 3f8z s ASN 72 N 0.91 5.28 -0.15 3.58 0.02 -1.26 0.19 114.94 123.51 3f8z s ASN 72 Ca 0.42 -0.92 -0.01 0.00 -1.02 0.00 0.00 52.86 51.33 3f8z s ASN 72 Cb -0.19 -1.89 -0.01 0.00 0.02 0.00 0.00 41.25 39.18 3f8z s ASN 72 CO 0.20 -0.27 -0.10 -0.22 0.02 0.00 0.00 177.10 176.73 3f8z s LEU 73 N 1.47 2.81 -0.10 0.60 0.20 0.22 -1.24 118.68 122.64 3f8z s LEU 73 Ca 0.01 -0.32 -0.04 0.00 0.69 0.00 0.00 54.13 54.47 3f8z s LEU 73 Cb -0.18 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3f8z s LEU 73 CO 0.03 0.13 0.04 -0.69 -0.29 0.00 0.00 176.35 175.57 3f8z s VAL 74 N 0.58 4.67 -0.20 1.68 1.01 -0.40 -1.46 120.40 126.28 3f8z s VAL 74 Ca -0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 3f8z s VAL 74 Cb -0.15 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3f8z s VAL 74 CO 0.03 0.60 0.12 -0.76 0.00 0.00 0.00 175.10 175.09 3f8z s LEU 75 N -0.84 4.17 -0.28 3.92 1.43 0.49 -1.30 118.68 126.27 3f8z s LEU 75 Ca 0.13 0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.21 3f8z s LEU 75 Cb -0.12 -2.08 0.13 0.00 0.03 0.00 0.00 46.19 44.16 3f8z s LEU 75 CO 0.03 0.18 1.06 -0.55 0.23 0.00 0.00 176.35 177.30 3f8z s SER 76 N 0.35 -0.42 0.05 2.29 0.15 -0.59 -2.29 113.70 113.24 3f8z s SER 76 Ca 0.08 0.79 0.22 0.00 0.70 0.00 0.00 55.95 57.74 3f8z s SER 76 Cb -0.11 0.86 -0.15 0.00 -1.71 0.00 0.00 66.02 64.91 3f8z s SER 76 CO -0.02 -0.13 0.79 0.54 1.20 0.00 0.00 173.24 175.62 3f8z n ARG 77 N 2.37 0.49 0.08 5.44 1.74 -1.26 -4.20 116.66 121.32 3f8z n ARG 77 Ca -0.13 -0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.67 3f8z n ARG 77 Cb 0.56 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 3f8z n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3f8z h GLU 78 N 0.00 0.39 -7.03 5.56 5.08 -1.98 -3.46 114.58 113.14 3f8z h GLU 78 Ca 0.00 -0.67 -0.52 0.00 -1.00 0.00 0.00 59.36 57.18 3f8z h GLU 78 Cb 0.89 0.25 0.08 0.00 0.50 0.00 0.00 28.75 30.47 3f8z h GLU 78 CO 0.00 1.32 0.50 -0.51 -1.00 0.00 0.00 179.01 179.32 3f8z s LEU 79 N -7.65 3.92 -0.00 1.33 1.43 -1.26 -4.95 118.68 111.49 3f8z s LEU 79 Ca -0.13 2.40 0.19 0.00 -1.03 0.00 0.00 54.13 55.55 3f8z s LEU 79 Cb 0.03 -4.32 -0.22 0.00 0.03 0.00 0.00 46.19 41.71 3f8z s LEU 79 CO 0.86 -1.15 0.73 0.29 0.23 0.00 0.00 176.35 177.31 3f8z n LYS 80 N -0.79 0.76 -3.64 1.70 4.76 -1.26 -4.99 118.16 114.70 3f8z n LYS 80 Ca 0.09 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 3f8z n LYS 80 Cb 0.48 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 32.23 3f8z n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3f8z s GLU 81 N -2.87 1.14 0.43 1.97 -1.05 -1.26 -5.13 118.70 111.93 3f8z s GLU 81 Ca 0.05 -0.73 -0.26 0.00 -0.15 0.00 0.00 54.97 53.88 3f8z s GLU 81 Cb 0.14 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.22 3f8z s GLU 81 CO 0.78 -0.46 1.38 -2.30 0.95 0.00 0.00 175.26 175.61 3f8z n PRO 82 N -0.26 2.17 -1.35 -4.83 -0.02 -1.26 -4.95 135.00 124.50 3f8z n PRO 82 Ca -0.15 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 3f8z n PRO 82 Cb 0.64 -2.54 0.07 0.00 -0.02 0.00 0.00 33.50 31.65 3f8z n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3f8z n PRO 83 N -0.04 0.47 -1.66 0.52 -0.02 -1.26 -4.83 135.00 128.17 3f8z n PRO 83 Ca 0.05 0.21 -0.56 0.00 -2.02 0.00 0.00 63.50 61.18 3f8z n PRO 83 Cb 0.40 -2.03 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 3f8z n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3f8z n GLN 84 N -1.23 1.06 0.00 -0.52 7.27 -1.26 -0.95 117.38 121.75 3f8z n GLN 84 Ca 0.12 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3f8z n GLN 84 Cb 0.49 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 31.10 3f8z n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3f8z n GLY 85 N 3.52 3.22 3.87 1.69 0.00 -1.26 -4.92 105.19 111.31 3f8z n GLY 85 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 3f8z n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8z s ALA 86 N -2.17 3.16 -0.21 4.61 0.00 -0.12 -3.97 121.76 123.06 3f8z s ALA 86 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 3f8z s ALA 86 Cb 0.00 -2.98 -0.20 0.00 0.00 0.00 0.00 23.12 19.94 3f8z s ALA 86 CO 0.00 -0.41 -0.02 0.72 0.00 0.00 0.00 175.76 176.05 3f8z n HIS 87 N -2.11 0.47 -4.12 0.00 8.25 -0.38 -4.80 115.22 112.54 3f8z n HIS 87 Ca 0.05 0.11 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 3f8z n HIS 87 Cb 0.54 -1.06 -0.10 0.00 1.12 0.00 0.00 29.99 30.49 3f8z n HIS 87 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3f8z s PHE 88 N -2.52 0.72 -0.06 4.41 0.08 -0.78 -4.94 117.98 114.89 3f8z s PHE 88 Ca -0.31 -0.83 0.02 0.00 0.12 0.00 0.00 56.93 55.93 3f8z s PHE 88 Cb 0.09 -0.44 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 3f8z s PHE 88 CO 0.65 -0.19 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.30 3f8z s LEU 89 N -2.60 1.58 0.18 -0.37 2.96 -1.26 -1.28 118.68 117.89 3f8z s LEU 89 Ca 0.04 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3f8z s LEU 89 Cb 0.02 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 3f8z s LEU 89 CO -0.04 0.01 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.40 3f8z s SER 90 N 0.74 2.56 0.00 3.68 0.01 -0.42 -4.97 113.70 115.30 3f8z s SER 90 Ca -0.13 -0.93 0.24 0.00 1.31 0.00 0.00 55.95 56.44 3f8z s SER 90 Cb -0.15 -0.14 0.34 0.00 0.21 0.00 0.00 66.02 66.27 3f8z s SER 90 CO 0.03 -0.11 1.30 0.54 0.41 0.00 0.00 173.24 175.40 3f8z n ARG 91 N -0.00 0.00 -3.71 12.44 1.74 -1.26 -1.54 116.66 124.33 3f8z n ARG 91 Ca -0.11 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.88 3f8z n ARG 91 Cb 0.59 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 3f8z n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3f8z s SER 92 N -3.01 -0.36 0.13 0.55 1.04 -1.26 -4.63 113.70 106.15 3f8z s SER 92 Ca 0.10 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 3f8z s SER 92 Cb 0.17 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 3f8z s SER 92 CO 0.74 -1.21 1.63 0.25 0.98 0.00 0.00 173.24 175.62 3f8z h LEU 93 N 2.01 0.61 -0.76 2.42 5.85 -1.99 -1.97 115.31 121.47 3f8z h LEU 93 Ca -0.24 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.32 3f8z h LEU 93 Cb 1.27 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 3f8z h LEU 93 CO 0.28 0.68 0.43 0.44 -0.34 0.00 0.00 178.44 179.94 3f8z h ASP 94 N 0.50 0.62 -0.45 1.25 3.45 -1.99 -0.11 116.42 119.69 3f8z h ASP 94 Ca 0.13 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 3f8z h ASP 94 Cb 0.32 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 3f8z h ASP 94 CO 0.00 0.37 0.28 0.44 -1.57 0.00 0.00 179.24 178.76 3f8z h ASP 95 N 0.75 0.54 -0.28 6.45 5.19 -1.90 0.16 116.42 127.33 3f8z h ASP 95 Ca 0.36 -0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.74 3f8z h ASP 95 Cb 0.29 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 3f8z h ASP 95 CO -0.22 0.43 0.12 0.00 -3.12 0.00 0.00 179.24 176.45 3f8z h ALA 96 N 1.13 0.32 -0.54 3.45 0.00 -0.67 -1.48 119.26 121.49 3f8z h ALA 96 Ca 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3f8z h ALA 96 Cb -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3f8z h ALA 96 CO -0.03 -0.28 0.12 -0.07 0.00 0.00 0.00 179.25 178.99 3f8z h LEU 97 N 0.26 0.83 -0.51 0.00 3.38 -0.67 -2.86 115.31 115.73 3f8z h LEU 97 Ca 0.12 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.92 3f8z h LEU 97 Cb 0.06 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3f8z h LEU 97 CO -0.10 0.85 0.17 0.11 0.09 0.00 0.00 178.44 179.56 3f8z h LYS 98 N 0.76 0.32 -0.62 1.13 1.57 -0.89 -2.96 116.57 115.88 3f8z h LYS 98 Ca 0.17 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3f8z h LYS 98 Cb 0.36 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.52 3f8z h LYS 98 CO 0.00 0.21 0.22 1.25 -0.57 0.00 0.00 179.45 180.57 3f8z h LEU 99 N 0.33 0.19 -1.98 2.94 6.46 -1.05 -0.70 115.31 121.51 3f8z h LEU 99 Ca 0.25 0.09 0.22 0.00 -0.12 0.00 0.00 57.88 58.32 3f8z h LEU 99 Cb 0.29 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 3f8z h LEU 99 CO -0.27 0.11 0.58 0.71 -0.62 0.00 0.00 178.44 178.95 3f8z h THR 100 N 0.39 0.53 -0.00 1.05 1.35 -1.33 0.59 112.91 115.48 3f8z h THR 100 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 3f8z h THR 100 Cb 0.42 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3f8z h THR 100 CO -0.33 0.00 -0.09 -0.62 -0.25 0.00 0.00 175.52 174.22 3f8z n GLU 101 N -4.15 0.71 -1.85 4.72 -0.58 -0.27 -1.68 120.64 117.54 3f8z n GLU 101 Ca 0.15 -0.23 -0.34 0.00 -0.42 0.00 0.00 57.16 56.33 3f8z n GLU 101 Cb 0.86 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 30.27 3f8z n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3f8z s GLN 102 N -2.44 2.87 0.47 3.49 -1.52 0.20 -4.61 119.66 118.13 3f8z s GLN 102 Ca 0.30 1.49 0.16 0.00 -1.95 0.00 0.00 55.36 55.36 3f8z s GLN 102 Cb 0.20 -1.95 1.15 0.00 -0.22 0.00 0.00 33.01 32.19 3f8z s GLN 102 CO 0.46 -1.21 2.03 -1.00 -0.25 0.00 0.00 175.29 175.33 3f8z h PRO 103 N 0.30 0.23 0.00 2.91 0.13 -1.91 0.52 132.00 134.19 3f8z h PRO 103 Ca -0.48 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3f8z h PRO 103 Cb 1.26 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3f8z h PRO 103 CO 0.54 0.15 -0.02 1.05 -0.23 0.00 0.00 178.00 179.50 3f8z h GLU 104 N 0.24 0.00 0.00 0.86 4.11 -1.92 -3.36 114.58 114.50 3f8z h GLU 104 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3f8z h GLU 104 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3f8z h GLU 104 CO -0.04 0.02 -0.40 1.28 0.07 0.00 0.00 179.01 179.94 3f8z n LEU 105 N -3.28 0.00 -0.29 3.06 4.77 -0.43 -4.79 117.00 116.03 3f8z n LEU 105 Ca -0.02 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.11 3f8z n LEU 105 Cb 0.14 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.65 3f8z n LEU 105 CO 0.24 0.00 1.22 0.00 -1.33 0.00 0.00 177.39 177.51 3f8z h ALA 106 N 0.00 1.95 -0.02 -1.18 0.00 0.91 -1.38 119.26 119.54 3f8z h ALA 106 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3f8z h ALA 106 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f8z h ALA 106 CO 0.00 -0.25 -0.11 0.09 0.00 0.00 0.00 179.25 178.97 3f8z n ASN 107 N -4.60 2.51 -0.09 0.00 5.03 -1.26 -4.17 115.26 112.69 3f8z n ASN 107 Ca 0.20 -1.76 -0.10 0.00 0.87 0.00 0.00 54.58 53.80 3f8z n ASN 107 Cb 0.61 0.13 -0.16 0.00 -1.02 0.00 0.00 39.78 39.34 3f8z n ASN 107 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3f8z n LYS 108 N 0.85 0.68 -3.23 3.52 5.02 -0.60 -4.83 118.16 119.57 3f8z n LYS 108 Ca 0.11 0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 56.06 3f8z n LYS 108 Cb 0.49 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 3f8z n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3f8z s VAL 109 N -2.51 5.11 0.00 -0.18 1.01 -0.71 -1.48 120.40 121.64 3f8z s VAL 109 Ca -0.10 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3f8z s VAL 109 Cb 0.06 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3f8z s VAL 109 CO 0.83 0.21 0.00 -0.67 0.00 0.00 0.00 175.10 175.46 3f8z n ASP 110 N 4.51 0.00 -4.81 3.32 4.64 0.18 -4.10 116.55 120.28 3f8z n ASP 110 Ca -0.04 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.03 3f8z n ASP 110 Cb 0.51 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.52 3f8z n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3f8z s MET 111 N 0.58 4.28 -0.16 -0.67 -1.94 -1.26 -0.15 119.30 119.98 3f8z s MET 111 Ca 0.00 1.14 -0.04 0.00 -1.71 0.00 0.00 55.69 55.08 3f8z s MET 111 Cb 0.00 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 3f8z s MET 111 CO 0.00 0.03 -0.03 0.54 -0.01 0.00 0.00 175.02 175.55 3f8z s VAL 112 N -2.07 3.93 -0.25 -6.03 0.11 -0.05 -0.49 120.40 115.54 3f8z s VAL 112 Ca 0.60 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3f8z s VAL 112 Cb -0.11 -2.73 0.03 0.00 -1.53 0.00 0.00 36.38 32.04 3f8z s VAL 112 CO 0.15 0.48 -0.05 0.26 -3.33 0.00 0.00 175.10 172.61 3f8z s TRP 113 N 0.46 3.08 -0.25 1.54 0.52 0.68 -1.12 118.94 123.85 3f8z s TRP 113 Ca -0.03 -1.57 -0.25 0.00 0.02 0.00 0.00 56.10 54.27 3f8z s TRP 113 Cb -0.14 -2.06 -0.00 0.00 -1.15 0.00 0.00 33.47 30.11 3f8z s TRP 113 CO 0.03 -0.73 0.85 0.42 0.02 0.00 0.00 176.95 177.53 3f8z s ILE 114 N 1.32 4.81 -0.36 2.03 1.01 0.49 -0.68 121.20 129.83 3f8z s ILE 114 Ca -0.00 1.58 0.08 0.00 0.00 0.00 0.00 60.65 62.31 3f8z s ILE 114 Cb -0.17 -4.14 0.20 0.00 0.01 0.00 0.00 42.46 38.36 3f8z s ILE 114 CO -0.04 -0.10 1.15 1.33 0.00 0.00 0.00 174.94 177.28 3f8z n VAL 115 N 5.29 1.24 0.00 2.92 0.24 -0.70 -1.68 118.33 125.65 3f8z n VAL 115 Ca 0.06 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.11 3f8z n VAL 115 Cb 0.47 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 3f8z n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f8z n GLY 116 N -0.26 1.44 0.00 7.63 0.00 -1.26 -4.96 105.19 107.77 3f8z n GLY 116 Ca 0.08 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3f8z n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f8z n GLY 117 N -1.05 1.91 0.17 -0.02 0.00 -1.26 -0.20 105.19 104.74 3f8z n GLY 117 Ca 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 3f8z n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3f8z h SER 118 N 0.00 -0.39 0.18 1.61 0.02 -1.98 -1.38 113.55 111.61 3f8z h SER 118 Ca 0.00 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3f8z h SER 118 Cb 0.00 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3f8z h SER 118 CO 0.00 -0.14 -0.44 0.77 -1.14 0.00 0.00 176.83 175.88 3f8z h SER 119 N -0.05 0.34 -0.11 3.07 4.64 -1.96 0.00 113.55 119.48 3f8z h SER 119 Ca 0.15 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3f8z h SER 119 Cb 0.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3f8z h SER 119 CO -0.35 0.74 -0.37 0.58 -0.87 0.00 0.00 176.83 176.56 3f8z h VAL 120 N 0.26 1.38 -0.29 0.95 2.07 -1.77 -2.28 116.25 116.57 3f8z h VAL 120 Ca 0.02 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 65.90 3f8z h VAL 120 Cb 0.88 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 3f8z h VAL 120 CO 0.07 0.50 -0.08 1.88 0.02 0.00 0.00 177.57 179.97 3f8z h TYR 121 N 0.03 -0.16 0.02 1.57 0.99 -1.13 -2.21 116.97 116.09 3f8z h TYR 121 Ca -0.01 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.76 3f8z h TYR 121 Cb 1.00 0.12 -0.03 0.00 1.00 0.00 0.00 36.73 38.82 3f8z h TYR 121 CO 0.11 -0.13 -0.17 -0.22 -0.00 0.00 0.00 178.16 177.75 3f8z h LYS 122 N -0.00 -0.28 0.22 4.88 3.64 -0.91 0.32 116.57 124.44 3f8z h LYS 122 Ca 0.14 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3f8z h LYS 122 Cb 0.22 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3f8z h LYS 122 CO -0.30 -0.19 -0.12 1.49 -2.27 0.00 0.00 179.45 178.07 3f8z h GLU 123 N -0.29 -0.31 -0.84 1.90 4.81 -1.38 -1.44 114.58 117.03 3f8z h GLU 123 Ca 0.05 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.47 3f8z h GLU 123 Cb 0.35 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.69 3f8z h GLU 123 CO -0.14 -0.20 0.37 0.00 -0.73 0.00 0.00 179.01 178.31 3f8z h ALA 124 N 0.46 1.26 0.00 2.92 0.00 -1.29 -2.26 119.26 120.36 3f8z h ALA 124 Ca -0.03 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3f8z h ALA 124 Cb 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3f8z h ALA 124 CO 0.04 -0.22 -0.46 0.52 0.00 0.00 0.00 179.25 179.12 3f8z h MET 125 N 0.48 0.00 -0.62 0.00 2.86 0.07 -2.98 114.93 114.74 3f8z h MET 125 Ca 0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 3f8z h MET 125 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3f8z h MET 125 CO -0.44 0.46 0.00 0.09 1.06 0.00 0.00 176.91 178.08 3f8z n ASN 126 N -3.68 3.75 -4.59 1.22 3.02 -0.70 -4.90 115.26 109.37 3f8z n ASN 126 Ca -0.01 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 52.14 3f8z n ASN 126 Cb 0.54 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 39.23 3f8z n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3f8z s HIS 127 N -1.10 3.21 0.40 3.10 2.46 -0.90 -5.04 115.29 117.43 3f8z s HIS 127 Ca 0.44 0.50 -0.25 0.00 0.47 0.00 0.00 55.06 56.23 3f8z s HIS 127 Cb 0.24 -2.96 -0.11 0.00 -0.13 0.00 0.00 32.58 29.61 3f8z s HIS 127 CO 0.31 -0.47 0.97 -2.30 -2.47 0.00 0.00 174.74 170.77 3f8z n PRO 128 N 5.83 1.28 0.00 2.88 -0.02 -1.26 -4.85 135.00 138.85 3f8z n PRO 128 Ca -0.02 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3f8z n PRO 128 Cb 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3f8z n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f8z n GLY 129 N 1.24 1.34 3.65 -1.23 0.00 -1.26 -4.95 105.19 103.97 3f8z n GLY 129 Ca 0.10 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 3f8z n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f8z s HIS 130 N -1.16 3.26 -0.09 1.61 2.46 -1.26 -2.83 115.29 117.27 3f8z s HIS 130 Ca 0.00 1.31 -0.10 0.00 0.47 0.00 0.00 55.06 56.74 3f8z s HIS 130 Cb 0.00 -3.41 0.03 0.00 -0.13 0.00 0.00 32.58 29.07 3f8z s HIS 130 CO 0.00 -0.58 0.27 -1.17 -2.47 0.00 0.00 174.74 170.78 3f8z s LEU 131 N 3.33 0.99 0.03 8.88 2.96 -0.76 -4.46 118.68 129.64 3f8z s LEU 131 Ca 0.43 0.50 0.08 0.00 -0.22 0.00 0.00 54.13 54.92 3f8z s LEU 131 Cb -0.14 0.93 -0.03 0.00 0.50 0.00 0.00 46.19 47.45 3f8z s LEU 131 CO 0.10 -0.12 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.24 3f8z s LYS 132 N 0.04 1.96 -0.20 1.98 1.02 -1.07 -0.13 119.74 123.34 3f8z s LYS 132 Ca -0.01 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 54.94 3f8z s LYS 132 Cb -0.02 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3f8z s LYS 132 CO 0.01 0.53 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.35 3f8z s LEU 133 N -1.17 2.61 -0.47 3.17 1.02 0.31 -0.87 118.68 123.28 3f8z s LEU 133 Ca 0.12 -0.48 -0.16 0.00 0.02 0.00 0.00 54.13 53.63 3f8z s LEU 133 Cb -0.10 -1.64 0.06 0.00 0.02 0.00 0.00 46.19 44.54 3f8z s LEU 133 CO 0.02 0.00 0.43 -0.36 0.02 0.00 0.00 176.35 176.46 3f8z s PHE 134 N 1.32 3.21 -0.21 0.29 0.40 0.58 -0.55 117.98 123.01 3f8z s PHE 134 Ca 0.04 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.56 3f8z s PHE 134 Cb -0.14 -3.17 0.02 0.00 0.51 0.00 0.00 43.02 40.25 3f8z s PHE 134 CO -0.06 -0.81 -0.15 0.08 0.70 0.00 0.00 175.22 174.98 3f8z s VAL 135 N 1.83 2.37 -0.25 -0.44 1.01 -0.33 -1.61 120.40 122.98 3f8z s VAL 135 Ca 0.06 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 3f8z s VAL 135 Cb -0.23 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3f8z s VAL 135 CO 0.08 0.40 0.41 -0.89 0.00 0.00 0.00 175.10 175.10 3f8z s THR 136 N 1.30 5.16 -0.52 3.92 2.01 -0.57 -0.84 115.64 126.09 3f8z s THR 136 Ca 0.03 0.67 -0.21 0.00 0.31 0.00 0.00 61.69 62.49 3f8z s THR 136 Cb -0.15 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.68 3f8z s THR 136 CO -0.09 0.16 0.75 -0.13 -0.69 0.00 0.00 174.62 174.62 3f8z s ARG 137 N 1.94 3.20 -0.44 4.92 1.81 0.65 -0.85 118.95 130.19 3f8z s ARG 137 Ca 0.17 -0.65 -0.27 0.00 -1.72 0.00 0.00 55.73 53.26 3f8z s ARG 137 Cb -0.15 -4.08 0.02 0.00 -0.45 0.00 0.00 34.95 30.29 3f8z s ARG 137 CO 0.09 -1.32 1.00 0.42 -0.68 0.00 0.00 175.30 174.81 3f8z s ILE 138 N 3.13 4.41 -0.30 1.52 -1.09 0.59 -1.56 121.20 127.91 3f8z s ILE 138 Ca 0.21 1.06 -0.03 0.00 -2.23 0.00 0.00 60.65 59.66 3f8z s ILE 138 Cb -0.17 -4.47 0.03 0.00 -1.58 0.00 0.00 42.46 36.28 3f8z s ILE 138 CO 0.15 -0.80 2.69 0.23 -1.23 0.00 0.00 174.94 175.97 3f8z n MET 139 N 7.27 2.06 -3.92 2.79 2.81 -0.38 -2.22 117.12 125.54 3f8z n MET 139 Ca 0.09 -1.70 -0.09 0.00 -1.81 0.00 0.00 57.70 54.19 3f8z n MET 139 Cb 0.48 -1.89 -0.08 0.00 -0.71 0.00 0.00 33.22 31.03 3f8z n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3f8z s GLN 140 N -1.08 0.86 0.10 0.03 -0.21 -1.26 -4.86 119.66 113.23 3f8z s GLN 140 Ca 0.49 -1.04 -0.27 0.00 0.02 0.00 0.00 55.36 54.56 3f8z s GLN 140 Cb 0.31 0.32 -0.06 0.00 1.00 0.00 0.00 33.01 34.58 3f8z s GLN 140 CO -0.11 -0.27 0.83 -0.51 -2.12 0.00 0.00 175.29 173.12 3f8z s ASP 141 N -2.89 7.35 -0.03 5.90 1.01 -1.26 -1.63 116.67 125.12 3f8z s ASP 141 Ca 0.08 1.61 0.03 0.00 0.71 0.00 0.00 52.55 54.98 3f8z s ASP 141 Cb 0.05 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 3f8z s ASP 141 CO -0.09 0.05 -0.13 -0.36 0.21 0.00 0.00 175.17 174.85 3f8z s PHE 142 N -0.35 1.26 0.16 4.23 0.08 -1.26 -4.98 117.98 117.12 3f8z s PHE 142 Ca 0.40 -0.32 -0.33 0.00 0.12 0.00 0.00 56.93 56.81 3f8z s PHE 142 Cb -0.22 -0.86 -0.12 0.00 -0.57 0.00 0.00 43.02 41.25 3f8z s PHE 142 CO 0.26 -0.10 1.70 -1.91 -0.10 0.00 0.00 175.22 175.07 3f8z n GLU 143 N 3.13 2.52 -4.00 0.44 2.13 -1.26 -4.81 120.64 118.78 3f8z n GLU 143 Ca -0.17 0.91 -0.08 0.00 0.66 0.00 0.00 57.16 58.47 3f8z n GLU 143 Cb 0.54 -2.74 -0.10 0.00 0.27 0.00 0.00 31.44 29.41 3f8z n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3f8z s SER 144 N 1.56 0.31 0.00 4.31 0.01 -1.26 -4.76 113.70 113.88 3f8z s SER 144 Ca 0.79 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.34 3f8z s SER 144 Cb -0.58 0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3f8z s SER 144 CO 0.36 -0.50 0.47 -0.90 0.41 0.00 0.00 173.24 173.09 3f8z n ASP 145 N 0.69 0.95 -3.86 2.44 5.68 -0.05 -4.97 116.55 117.44 3f8z n ASP 145 Ca -0.18 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 52.99 3f8z n ASP 145 Cb 0.59 0.01 -0.12 0.00 -1.14 0.00 0.00 41.12 40.45 3f8z n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3f8z s THR 146 N -0.01 0.02 0.06 2.12 -1.32 -0.94 -4.98 115.64 110.59 3f8z s THR 146 Ca 0.00 -0.18 0.05 0.00 -1.21 0.00 0.00 61.69 60.34 3f8z s THR 146 Cb 0.00 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 3f8z s THR 146 CO 0.00 -0.10 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.82 3f8z s PHE 147 N -0.29 1.11 0.30 9.09 0.40 -1.26 -0.14 117.98 127.19 3f8z s PHE 147 Ca -0.04 -0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 55.55 3f8z s PHE 147 Cb -0.03 -0.63 -0.09 0.00 0.51 0.00 0.00 43.02 42.78 3f8z s PHE 147 CO 0.00 0.03 1.09 0.12 0.70 0.00 0.00 175.22 177.16 3f8z s PHE 148 N -1.26 3.54 0.81 0.36 5.36 0.32 -4.64 117.98 122.46 3f8z s PHE 148 Ca -0.03 1.70 -0.11 0.00 -0.96 0.00 0.00 56.93 57.52 3f8z s PHE 148 Cb -0.10 -3.25 0.08 0.00 -0.34 0.00 0.00 43.02 39.41 3f8z s PHE 148 CO 0.02 -0.53 1.13 -2.14 -1.46 0.00 0.00 175.22 172.24 3f8z s PRO 149 N -1.60 1.87 0.22 10.12 0.02 -1.26 -4.93 135.00 139.43 3f8z s PRO 149 Ca 0.46 1.39 -0.32 0.00 0.02 0.00 0.00 61.00 62.55 3f8z s PRO 149 Cb -0.30 -1.84 -0.13 0.00 0.02 0.00 0.00 34.50 32.26 3f8z s PRO 149 CO 0.39 -1.97 1.61 -1.91 -0.33 0.00 0.00 177.00 174.79 3f8z n GLU 150 N -3.57 2.50 -3.08 5.54 2.13 -1.26 -4.97 120.64 117.93 3f8z n GLU 150 Ca 0.11 0.90 -0.41 0.00 0.66 0.00 0.00 57.16 58.41 3f8z n GLU 150 Cb 0.52 -2.68 -0.06 0.00 0.27 0.00 0.00 31.44 29.49 3f8z n GLU 150 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3f8z s ILE 151 N 0.65 4.93 -0.59 6.31 1.01 -1.26 -5.02 121.20 127.23 3f8z s ILE 151 Ca 0.72 1.04 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 3f8z s ILE 151 Cb -0.57 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 37.93 3f8z s ILE 151 CO 0.40 -0.09 1.13 -0.62 0.00 0.00 0.00 174.94 175.76 3f8z s ASP 152 N 1.56 6.39 0.07 3.58 3.68 -1.26 -4.89 116.67 125.80 3f8z s ASP 152 Ca 0.27 -0.09 0.22 0.00 2.13 0.00 0.00 52.55 55.08 3f8z s ASP 152 Cb -0.15 -2.52 0.91 0.00 -1.45 0.00 0.00 42.92 39.71 3f8z s ASP 152 CO 0.10 -1.45 1.70 0.18 0.13 0.00 0.00 175.17 175.84 3f8z n LEU 153 N 8.25 0.23 -0.04 -1.34 4.77 -1.26 -0.85 117.00 126.76 3f8z n LEU 153 Ca 0.06 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3f8z n LEU 153 Cb 0.49 -0.49 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 3f8z n LEU 153 CO 0.69 -0.21 1.00 -0.33 -1.33 0.00 0.00 177.39 177.21 3f8z h GLU 154 N 0.00 0.61 0.00 3.23 4.39 -2.03 -3.33 114.58 117.44 3f8z h GLU 154 Ca 0.00 -0.11 -0.30 0.00 0.34 0.00 0.00 59.36 59.29 3f8z h GLU 154 Cb 0.42 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.92 3f8z h GLU 154 CO 0.00 0.56 -2.15 0.36 -1.16 0.00 0.00 179.01 176.62 3f8z n LYS 155 N -4.32 0.91 -3.04 2.33 2.85 -0.81 -4.90 118.16 111.19 3f8z n LYS 155 Ca 0.03 0.06 -0.43 0.00 -1.05 0.00 0.00 58.31 56.91 3f8z n LYS 155 Cb 0.20 -1.42 -0.06 0.00 -0.65 0.00 0.00 35.03 33.10 3f8z n LYS 155 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3f8z s TYR 156 N -2.41 3.01 -0.09 5.58 1.51 -0.03 -4.30 117.35 120.63 3f8z s TYR 156 Ca -0.19 -0.02 -0.23 0.00 -1.01 0.00 0.00 57.07 55.63 3f8z s TYR 156 Cb 0.06 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.33 3f8z s TYR 156 CO 0.57 -0.97 0.67 0.15 -1.11 0.00 0.00 175.55 174.86 3f8z s LYS 157 N 3.07 4.40 -0.17 -0.62 -0.14 -0.24 -4.53 119.74 121.51 3f8z s LYS 157 Ca 0.25 0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 55.37 3f8z s LYS 157 Cb -0.14 -3.46 -0.01 0.00 -1.68 0.00 0.00 37.83 32.54 3f8z s LYS 157 CO 0.20 0.03 1.18 -1.17 -0.76 0.00 0.00 175.35 174.82 3f8z s LEU 158 N 0.95 4.17 0.19 3.17 2.96 -1.26 -0.96 118.68 127.90 3f8z s LEU 158 Ca 0.35 1.60 -0.30 0.00 -0.22 0.00 0.00 54.13 55.56 3f8z s LEU 158 Cb -0.17 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 3f8z s LEU 158 CO 0.16 -0.70 1.10 -0.76 -1.32 0.00 0.00 176.35 174.83 3f8z s LEU 159 N 3.20 4.50 0.06 -0.68 1.43 0.42 -4.95 118.68 122.66 3f8z s LEU 159 Ca 0.51 2.12 0.18 0.00 -1.03 0.00 0.00 54.13 55.91 3f8z s LEU 159 Cb -0.20 -3.61 0.74 0.00 0.03 0.00 0.00 46.19 43.16 3f8z s LEU 159 CO 0.13 -0.21 1.56 -0.81 0.23 0.00 0.00 176.35 177.25 3f8z n PRO 160 N 2.19 0.05 -3.55 1.29 -0.04 -1.26 -4.70 135.00 128.98 3f8z n PRO 160 Ca 0.02 0.27 -0.08 0.00 -0.04 0.00 0.00 63.50 63.67 3f8z n PRO 160 Cb 0.46 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3f8z n PRO 160 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3f8z s GLU 161 N -3.07 0.61 -0.20 0.54 -1.05 -1.26 -5.12 118.70 109.14 3f8z s GLU 161 Ca 0.07 -0.09 -0.11 0.00 -0.15 0.00 0.00 54.97 54.69 3f8z s GLU 161 Cb 0.10 0.28 0.07 0.00 -0.44 0.00 0.00 34.13 34.14 3f8z s GLU 161 CO 0.32 -0.24 0.48 -0.47 0.95 0.00 0.00 175.26 176.30 3f8z s TYR 162 N -2.17 -0.73 0.10 4.83 5.04 -1.26 -5.04 117.35 118.12 3f8z s TYR 162 Ca 0.04 1.51 -0.35 0.00 -2.44 0.00 0.00 57.07 55.83 3f8z s TYR 162 Cb -0.01 0.36 -0.14 0.00 0.35 0.00 0.00 41.96 42.52 3f8z s TYR 162 CO -0.04 -0.40 1.58 -2.30 -1.34 0.00 0.00 175.55 173.05 3f8z n PRO 163 N 4.36 1.95 -0.81 4.97 -0.02 -1.26 -1.52 135.00 142.67 3f8z n PRO 163 Ca -0.22 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3f8z n PRO 163 Cb 0.56 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3f8z n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f8z n GLY 164 N 3.40 0.71 3.19 -1.23 0.00 -1.26 -5.02 105.19 104.99 3f8z n GLY 164 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3f8z n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f8z s VAL 165 N -2.61 2.79 0.30 1.61 1.01 -0.58 -5.10 120.40 117.82 3f8z s VAL 165 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 3f8z s VAL 165 Cb 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.89 3f8z s VAL 165 CO 0.00 0.26 1.50 -0.76 0.00 0.00 0.00 175.10 176.09 3f8z s LEU 166 N 1.33 4.36 0.02 3.92 1.02 -1.26 -4.62 118.68 123.44 3f8z s LEU 166 Ca 0.01 2.86 0.22 0.00 0.02 0.00 0.00 54.13 57.24 3f8z s LEU 166 Cb -0.16 -3.64 -0.25 0.00 0.02 0.00 0.00 46.19 42.16 3f8z s LEU 166 CO -0.06 -0.80 0.64 -1.20 0.02 0.00 0.00 176.35 174.95 3f8z n SER 167 N 1.71 0.24 -4.93 2.29 7.64 -1.26 -4.34 113.62 114.97 3f8z n SER 167 Ca 0.05 0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.70 3f8z n SER 167 Cb 0.39 1.59 0.06 0.00 -1.01 0.00 0.00 64.21 65.24 3f8z n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3f8z s ASP 168 N -4.60 5.01 0.12 6.43 3.84 -1.26 -4.88 116.67 121.32 3f8z s ASP 168 Ca -0.05 0.45 -0.31 0.00 -0.00 0.00 0.00 52.55 52.64 3f8z s ASP 168 Cb 0.13 -1.19 -0.07 0.00 -1.38 0.00 0.00 42.92 40.41 3f8z s ASP 168 CO 0.88 -1.44 1.29 -0.69 -0.00 0.00 0.00 175.17 175.21 3f8z s VAL 169 N -3.14 3.56 0.22 2.11 1.01 -1.26 -4.66 120.40 118.23 3f8z s VAL 169 Ca 0.59 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.77 3f8z s VAL 169 Cb -0.11 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3f8z s VAL 169 CO 0.44 0.11 0.32 -1.10 0.00 0.00 0.00 175.10 174.87 3f8z s GLN 170 N 0.76 3.37 -0.14 2.72 -1.52 0.12 -4.95 119.66 120.02 3f8z s GLN 170 Ca 0.60 -0.75 -0.07 0.00 -1.95 0.00 0.00 55.36 53.19 3f8z s GLN 170 Cb -0.34 -2.87 0.06 0.00 -0.22 0.00 0.00 33.01 29.64 3f8z s GLN 170 CO 0.32 0.45 0.32 -2.00 -0.25 0.00 0.00 175.29 174.13 3f8z s GLU 171 N -3.74 0.27 -0.01 2.91 2.12 -1.26 -1.14 118.70 117.85 3f8z s GLU 171 Ca 0.34 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.37 3f8z s GLU 171 Cb -0.09 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.27 3f8z s GLU 171 CO 0.28 -0.19 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.59 3f8z s GLU 172 N 1.60 0.17 -1.48 4.30 2.02 -0.82 -4.86 118.70 119.62 3f8z s GLU 172 Ca -0.07 -0.01 -0.07 0.00 0.02 0.00 0.00 54.97 54.84 3f8z s GLU 172 Cb -0.10 -0.23 0.02 0.00 0.10 0.00 0.00 34.13 33.92 3f8z s GLU 172 CO -0.10 -0.02 0.68 1.63 0.02 0.00 0.00 175.26 177.47 3f8z n LYS 173 N 3.38 -5.03 -0.94 1.61 5.02 -1.26 -1.02 118.16 119.93 3f8z n LYS 173 Ca -0.17 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 3f8z n LYS 173 Cb 0.56 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 3f8z n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f8z n GLY 174 N -1.53 0.56 3.33 0.72 0.00 -1.26 -4.99 105.19 102.02 3f8z n GLY 174 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3f8z n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8z s ILE 175 N -2.49 3.70 0.22 -0.61 1.01 -0.19 -5.09 121.20 117.75 3f8z s ILE 175 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 3f8z s ILE 175 Cb 0.00 -2.84 -0.08 0.00 0.01 0.00 0.00 42.46 39.55 3f8z s ILE 175 CO 0.00 0.20 0.97 -0.54 0.00 0.00 0.00 174.94 175.57 3f8z s LYS 176 N 1.48 4.79 0.13 2.79 1.02 -1.26 -1.95 119.74 126.73 3f8z s LYS 176 Ca 0.03 1.54 -0.12 0.00 0.02 0.00 0.00 55.97 57.44 3f8z s LYS 176 Cb -0.16 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 3f8z s LYS 176 CO 0.00 0.40 0.31 1.52 -0.92 0.00 0.00 175.35 176.65 3f8z s TYR 177 N -0.89 0.07 0.00 3.18 -0.85 -0.29 -1.25 117.35 117.31 3f8z s TYR 177 Ca 0.43 -0.44 -0.06 0.00 -0.52 0.00 0.00 57.07 56.48 3f8z s TYR 177 Cb -0.26 0.08 -0.00 0.00 0.38 0.00 0.00 41.96 42.15 3f8z s TYR 177 CO 0.33 -0.66 0.11 -1.59 -1.52 0.00 0.00 175.55 172.21 3f8z s LYS 178 N -3.87 0.43 0.08 -3.49 -2.85 -0.60 0.15 119.74 109.59 3f8z s LYS 178 Ca 0.07 -0.40 -0.09 0.00 -1.00 0.00 0.00 55.97 54.55 3f8z s LYS 178 Cb 0.03 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.92 3f8z s LYS 178 CO -0.08 -0.10 0.38 -0.06 0.10 0.00 0.00 175.35 175.59 3f8z s PHE 179 N -1.31 3.57 0.02 1.78 0.40 -1.26 -0.25 117.98 120.94 3f8z s PHE 179 Ca -0.14 0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 56.94 3f8z s PHE 179 Cb -0.08 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 3f8z s PHE 179 CO 0.01 0.52 -0.03 -1.21 0.70 0.00 0.00 175.22 175.21 3f8z s GLU 180 N -1.95 0.34 -0.09 0.44 2.02 -0.02 -4.88 118.70 114.55 3f8z s GLU 180 Ca 0.33 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.66 3f8z s GLU 180 Cb -0.14 0.12 0.02 0.00 0.10 0.00 0.00 34.13 34.23 3f8z s GLU 180 CO 0.18 -0.06 -0.10 0.08 0.02 0.00 0.00 175.26 175.39 3f8z s VAL 181 N -1.67 1.11 0.13 2.63 1.01 -1.26 -1.18 120.40 121.17 3f8z s VAL 181 Ca -0.14 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3f8z s VAL 181 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3f8z s VAL 181 CO -0.02 0.37 -0.08 -0.31 0.00 0.00 0.00 175.10 175.06 3f8z s TYR 182 N 1.22 2.73 -0.01 5.22 1.51 0.28 -0.44 117.35 127.86 3f8z s TYR 182 Ca -0.04 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3f8z s TYR 182 Cb -0.14 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 3f8z s TYR 182 CO -0.03 0.46 0.01 -2.00 -1.11 0.00 0.00 175.55 172.88 3f8z s GLU 183 N -2.48 0.05 0.31 -0.62 2.12 -0.13 -0.53 118.70 117.42 3f8z s GLU 183 Ca 0.23 0.10 0.09 0.00 0.36 0.00 0.00 54.97 55.75 3f8z s GLU 183 Cb -0.10 -0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.01 3f8z s GLU 183 CO 0.15 -0.10 -0.11 -1.59 -0.54 0.00 0.00 175.26 173.07 3f8z s LYS 184 N 0.70 1.72 -0.30 4.30 -2.85 0.81 -1.08 119.74 123.04 3f8z s LYS 184 Ca -0.06 -1.86 0.06 0.00 -1.00 0.00 0.00 55.97 53.10 3f8z s LYS 184 Cb -0.09 -1.58 0.19 0.00 -2.06 0.00 0.00 37.83 34.30 3f8z s LYS 184 CO -0.02 0.15 0.57 1.21 0.10 0.00 0.00 175.35 177.36 3f8z s ASN 185 N -3.55 -1.36 0.00 0.03 3.04 -1.25 -1.83 114.94 110.02 3f8z s ASN 185 Ca 0.31 0.04 0.00 0.00 0.04 0.00 0.00 52.86 53.25 3f8z s ASN 185 Cb 0.01 1.91 0.00 0.00 -1.54 0.00 0.00 41.25 41.63 3f8z s ASN 185 CO 0.15 -0.30 0.00 -0.90 -3.04 0.00 0.00 177.10 173.01