#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4r h SER 21 N 0.00 1.00 -0.33 1.09 4.64 -1.99 -2.07 113.55 115.89 3f4r h SER 21 Ca 0.00 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 3f4r h SER 21 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3f4r h SER 21 CO 0.00 0.75 0.00 -1.13 -0.87 0.00 0.00 176.83 175.58 3f4r h ASN 22 N 1.16 0.65 0.71 4.97 -1.24 -1.94 -1.65 115.58 118.25 3f4r h ASN 22 Ca 0.31 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.12 3f4r h ASN 22 Cb -0.08 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 3f4r h ASN 22 CO -0.06 0.72 -0.27 -0.33 -1.29 0.00 0.00 177.43 176.19 3f4r h GLU 23 N 0.65 0.00 0.00 6.67 5.08 -1.82 -2.86 114.58 122.30 3f4r h GLU 23 Ca 0.13 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 3f4r h GLU 23 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3f4r h GLU 23 CO 0.02 0.27 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.49 3f4r h LEU 24 N 0.00 0.00 -3.69 1.33 3.38 -0.89 -3.33 115.31 112.10 3f4r h LEU 24 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 3f4r h LEU 24 Cb 0.70 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.30 3f4r h LEU 24 CO 0.04 0.74 0.44 0.18 0.09 0.00 0.00 178.44 179.93 3f4r n LEU 25 N -3.58 6.56 -4.23 1.67 4.77 -1.02 -4.80 117.00 116.37 3f4r n LEU 25 Ca -0.00 -3.50 -0.13 0.00 -0.03 0.00 0.00 56.01 52.34 3f4r n LEU 25 Cb 0.74 -1.08 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 3f4r n LEU 25 CO 0.44 1.33 -0.35 -0.76 -1.33 0.00 0.00 177.39 176.71 3f4r s LEU 26 N -2.01 2.27 0.16 2.23 1.02 -1.25 -5.06 118.68 116.04 3f4r s LEU 26 Ca 0.38 -1.11 -0.31 0.00 0.02 0.00 0.00 54.13 53.10 3f4r s LEU 26 Cb 0.29 -0.11 -0.11 0.00 0.02 0.00 0.00 46.19 46.27 3f4r s LEU 26 CO -0.04 -0.51 1.75 -2.84 0.02 0.00 0.00 176.35 174.73 3f4r s PRO 27 N -3.87 4.14 0.20 1.29 0.02 -1.26 -4.99 135.00 130.53 3f4r s PRO 27 Ca 0.20 2.57 0.05 0.00 0.02 0.00 0.00 61.00 63.84 3f4r s PRO 27 Cb 0.05 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 3f4r s PRO 27 CO 0.02 -0.78 0.21 -0.51 -0.33 0.00 0.00 177.00 175.61 3f4r s LEU 28 N 1.90 3.97 0.49 -5.54 1.43 -1.26 -5.01 118.68 114.66 3f4r s LEU 28 Ca 0.77 -0.09 0.16 0.00 -1.03 0.00 0.00 54.13 53.94 3f4r s LEU 28 Cb -0.47 -2.54 1.17 0.00 0.03 0.00 0.00 46.19 44.38 3f4r s LEU 28 CO 0.34 0.02 2.07 -0.65 0.23 0.00 0.00 176.35 178.36 3f4r h PRO 29 N 1.93 0.18 -0.16 1.29 0.11 -2.02 -1.15 132.00 132.18 3f4r h PRO 29 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3f4r h PRO 29 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3f4r h PRO 29 CO 0.63 0.12 0.00 0.09 -0.21 0.00 0.00 178.00 178.63 3f4r n ASN 30 N -4.48 2.49 -4.75 -2.05 3.02 -1.26 -4.95 115.26 103.27 3f4r n ASN 30 Ca 0.03 -1.82 -0.37 0.00 -0.03 0.00 0.00 54.58 52.38 3f4r n ASN 30 Cb 0.23 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 3f4r n ASN 30 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3f4r s ASP 31 N -1.76 5.34 -0.17 6.41 1.01 -0.44 -5.00 116.67 122.06 3f4r s ASP 31 Ca 0.34 2.57 -0.16 0.00 0.71 0.00 0.00 52.55 56.01 3f4r s ASP 31 Cb 0.20 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3f4r s ASP 31 CO 0.30 -1.51 0.39 -0.54 0.21 0.00 0.00 175.17 174.02 3f4r s LYS 32 N -3.03 4.23 0.11 8.23 -0.14 -1.26 -4.95 119.74 122.94 3f4r s LYS 32 Ca 0.73 0.23 0.04 0.00 -1.36 0.00 0.00 55.97 55.61 3f4r s LYS 32 Cb -0.35 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.27 3f4r s LYS 32 CO 0.41 0.08 0.09 -0.51 -0.76 0.00 0.00 175.35 174.65 3f4r s LEU 33 N 0.93 3.74 -0.08 3.17 1.43 -1.26 -4.15 118.68 122.46 3f4r s LEU 33 Ca 0.20 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3f4r s LEU 33 Cb -0.14 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.70 3f4r s LEU 33 CO 0.07 0.13 -0.01 -0.22 0.23 0.00 0.00 176.35 176.56 3f4r s LEU 34 N -2.66 0.68 0.00 1.79 2.96 -0.37 -4.76 118.68 116.32 3f4r s LEU 34 Ca 0.29 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3f4r s LEU 34 Cb -0.11 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.09 3f4r s LEU 34 CO 0.22 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3f4r n GLY 35 N 5.09 -1.62 3.67 7.98 0.00 -1.26 -0.70 105.19 118.35 3f4r n GLY 35 Ca -0.08 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 3f4r n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f4r s ASP 36 N -3.39 6.99 0.65 1.61 -1.08 -1.26 -4.89 116.67 115.30 3f4r s ASP 36 Ca 0.00 1.74 0.40 0.00 -0.52 0.00 0.00 52.55 54.17 3f4r s ASP 36 Cb 0.00 -2.55 2.22 0.00 -1.46 0.00 0.00 42.92 41.14 3f4r s ASP 36 CO 0.00 -0.68 2.31 -0.65 0.52 0.00 0.00 175.17 176.67 3f4r h PRO 37 N 7.86 0.00 -0.55 4.34 0.11 -1.96 -1.30 132.00 140.49 3f4r h PRO 37 Ca -0.30 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 3f4r h PRO 37 Cb 1.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3f4r h PRO 37 CO 0.93 0.00 0.10 1.63 -0.21 0.00 0.00 178.00 180.45 3f4r n LYS 38 N -3.27 3.79 -1.69 1.05 4.76 -1.26 -5.00 118.16 116.55 3f4r n LYS 38 Ca -0.03 -3.07 -0.36 0.00 -2.87 0.00 0.00 58.31 51.98 3f4r n LYS 38 Cb 0.11 -2.12 0.07 0.00 -1.84 0.00 0.00 35.03 31.24 3f4r n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3f4r s ALA 39 N -2.91 2.32 0.31 7.82 0.00 -0.49 -4.93 121.76 123.88 3f4r s ALA 39 Ca 0.51 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.56 3f4r s ALA 39 Cb 0.41 -3.51 0.52 0.00 0.00 0.00 0.00 23.12 20.53 3f4r s ALA 39 CO 0.12 -1.62 1.91 -1.35 0.00 0.00 0.00 175.76 174.82 3f4r h PRO 40 N 0.33 0.80 -6.38 0.00 0.11 -1.76 -3.41 132.00 121.69 3f4r h PRO 40 Ca -0.50 -0.11 -0.67 0.00 0.11 0.00 0.00 66.00 64.83 3f4r h PRO 40 Cb 1.32 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 3f4r h PRO 40 CO 0.52 0.65 -0.70 0.42 -0.21 0.00 0.00 178.00 178.68 3f4r s ILE 41 N -5.40 3.65 -0.09 4.15 -1.09 -0.72 -0.68 121.20 121.01 3f4r s ILE 41 Ca -0.10 -0.98 0.04 0.00 -2.23 0.00 0.00 60.65 57.39 3f4r s ILE 41 Cb 0.16 -2.66 -0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3f4r s ILE 41 CO 0.78 0.24 -0.24 -0.22 -1.23 0.00 0.00 174.94 174.27 3f4r s LEU 42 N -1.88 2.09 -0.14 2.97 2.96 0.26 -0.40 118.68 124.55 3f4r s LEU 42 Ca 0.21 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3f4r s LEU 42 Cb -0.11 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.18 3f4r s LEU 42 CO 0.12 0.18 -0.21 -0.32 -1.32 0.00 0.00 176.35 174.79 3f4r s MET 43 N 0.24 2.96 -0.17 1.98 -2.45 -0.24 -1.40 119.30 120.21 3f4r s MET 43 Ca -0.16 -0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 53.42 3f4r s MET 43 Cb -0.17 -2.41 -0.02 0.00 1.25 0.00 0.00 34.83 33.48 3f4r s MET 43 CO 0.08 -0.04 -0.07 0.42 1.05 0.00 0.00 175.02 176.47 3f4r s ILE 44 N 0.87 3.44 -0.08 10.11 1.01 -0.01 -0.57 121.20 135.96 3f4r s ILE 44 Ca -0.06 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3f4r s ILE 44 Cb -0.15 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 3f4r s ILE 44 CO -0.03 0.47 -0.18 -0.70 0.00 0.00 0.00 174.94 174.50 3f4r s GLU 45 N 0.81 2.86 -0.15 2.79 2.12 -0.23 -0.62 118.70 126.27 3f4r s GLU 45 Ca -0.02 -0.78 -0.02 0.00 0.36 0.00 0.00 54.97 54.51 3f4r s GLU 45 Cb -0.15 -2.38 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 3f4r s GLU 45 CO 0.01 0.37 -0.08 0.71 -0.54 0.00 0.00 175.26 175.74 3f4r s TYR 46 N -0.09 2.93 -0.04 5.30 2.02 -0.22 -0.24 117.35 127.00 3f4r s TYR 46 Ca -0.04 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 55.87 3f4r s TYR 46 Cb -0.14 -1.93 0.06 0.00 -0.40 0.00 0.00 41.96 39.54 3f4r s TYR 46 CO 0.04 -0.18 0.58 0.00 -1.57 0.00 0.00 175.55 174.42 3f4r s ALA 47 N 0.52 -1.49 0.10 3.71 0.00 -1.15 -2.05 121.76 121.40 3f4r s ALA 47 Ca -0.06 1.05 -0.27 0.00 0.00 0.00 0.00 51.96 52.69 3f4r s ALA 47 Cb -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 3f4r s ALA 47 CO 0.03 -0.34 0.86 0.45 0.00 0.00 0.00 175.76 176.76 3f4r s SER 48 N -1.20 7.39 0.22 0.00 0.15 -1.21 -2.33 113.70 116.72 3f4r s SER 48 Ca -0.12 1.65 0.23 0.00 0.70 0.00 0.00 55.95 58.41 3f4r s SER 48 Cb -0.02 -2.53 0.93 0.00 -1.71 0.00 0.00 66.02 62.69 3f4r s SER 48 CO 0.08 0.02 1.69 0.18 1.20 0.00 0.00 173.24 176.42 3f4r n LEU 49 N 2.52 0.60 -0.78 3.45 4.77 -1.26 -2.55 117.00 123.73 3f4r n LEU 49 Ca -0.01 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.69 3f4r n LEU 49 Cb 0.49 -0.54 0.15 0.00 -2.33 0.00 0.00 43.42 41.18 3f4r n LEU 49 CO 0.49 -0.49 0.60 0.35 -1.33 0.00 0.00 177.39 177.01 3f4r n THR 50 N -2.15 0.52 -2.17 -5.08 -2.24 -1.26 -4.39 114.28 97.51 3f4r n THR 50 Ca 0.03 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 3f4r n THR 50 Cb 0.24 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3f4r n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f4r h TYR 52 N 8.68 0.02 -0.11 0.00 3.20 -1.93 -1.22 116.97 125.61 3f4r h TYR 52 Ca -0.36 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.46 3f4r h TYR 52 Cb 1.16 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3f4r h TYR 52 CO 0.82 0.31 -0.15 0.45 -1.64 0.00 0.00 178.16 177.95 3f4r h HIS 53 N -0.28 0.18 -0.56 -3.82 3.86 -1.98 -1.87 115.15 110.69 3f4r h HIS 53 Ca 0.00 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3f4r h HIS 53 Cb 0.30 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3f4r h HIS 53 CO 0.03 0.33 0.09 0.00 0.86 0.00 0.00 177.93 179.24 3f4r h SER 55 N 0.82 0.99 -0.57 0.00 4.64 -0.59 0.75 113.55 119.58 3f4r h SER 55 Ca 0.17 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 3f4r h SER 55 Cb 0.41 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3f4r h SER 55 CO 0.01 0.75 0.02 -0.07 -0.87 0.00 0.00 176.83 176.68 3f4r h LEU 56 N 1.13 0.97 -0.57 5.97 3.38 -1.17 -0.64 115.31 124.38 3f4r h LEU 56 Ca 0.30 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f4r h LEU 56 Cb -0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3f4r h LEU 56 CO -0.06 1.03 0.36 0.15 0.09 0.00 0.00 178.44 180.02 3f4r h PHE 57 N 0.88 0.74 0.00 1.13 3.57 -0.60 -0.88 116.94 121.79 3f4r h PHE 57 Ca 0.16 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3f4r h PHE 57 Cb 0.52 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3f4r h PHE 57 CO 0.04 0.49 -0.25 0.45 -2.23 0.00 0.00 178.31 176.80 3f4r h HIS 58 N 0.78 0.00 0.25 0.41 3.86 -0.65 0.17 115.15 119.96 3f4r h HIS 58 Ca 0.21 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.09 3f4r h HIS 58 Cb -0.05 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.46 3f4r h HIS 58 CO -0.03 0.25 -1.44 -0.09 0.86 0.00 0.00 177.93 177.49 3f4r h ARG 59 N 0.00 0.53 0.00 2.45 2.43 -0.79 -3.38 114.38 115.62 3f4r h ARG 59 Ca -0.00 -0.91 0.00 0.00 -0.81 0.00 0.00 59.98 58.26 3f4r h ARG 59 Cb 0.51 0.34 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3f4r h ARG 59 CO 0.03 1.43 -1.30 0.09 -1.51 0.00 0.00 179.97 178.72 3f4r n ASN 60 N -3.75 1.76 0.00 -3.80 3.02 -0.36 -4.71 115.26 107.43 3f4r n ASN 60 Ca -0.17 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3f4r n ASN 60 Cb 1.09 1.41 0.00 0.00 -0.61 0.00 0.00 39.78 41.67 3f4r n ASN 60 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3f4r n VAL 61 N -1.76 0.00 -0.35 2.41 0.31 -0.24 -4.82 118.33 113.89 3f4r n VAL 61 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.39 3f4r n VAL 61 Cb 0.28 -1.21 0.24 0.00 -0.91 0.00 0.00 33.84 32.25 3f4r n VAL 61 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3f4r h PHE 62 N 0.00 1.07 -0.79 3.52 3.57 -1.22 -2.21 116.94 120.88 3f4r h PHE 62 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3f4r h PHE 62 Cb 0.78 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3f4r h PHE 62 CO 0.00 0.39 0.52 -1.35 -2.23 0.00 0.00 178.31 175.63 3f4r h PRO 63 N 0.91 0.79 -0.02 6.41 0.11 -1.84 0.10 132.00 138.46 3f4r h PRO 63 Ca 0.50 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.41 3f4r h PRO 63 Cb 0.55 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3f4r h PRO 63 CO -0.29 0.52 -0.70 0.87 -0.21 0.00 0.00 178.00 178.19 3f4r h LYS 64 N 0.81 0.09 -0.41 1.05 1.57 -1.73 -1.66 116.57 116.30 3f4r h LYS 64 Ca 0.35 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3f4r h LYS 64 Cb 0.31 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3f4r h LYS 64 CO -0.13 0.75 0.08 0.82 -0.57 0.00 0.00 179.45 180.40 3f4r h ILE 65 N 0.06 1.24 -0.46 1.86 2.04 -0.99 -1.00 117.51 120.25 3f4r h ILE 65 Ca -0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3f4r h ILE 65 Cb 1.24 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3f4r h ILE 65 CO 0.10 0.29 0.21 0.50 0.00 0.00 0.00 178.15 179.25 3f4r h LYS 66 N 0.52 0.66 -0.63 2.37 3.64 -0.74 -0.34 116.57 122.06 3f4r h LYS 66 Ca 0.12 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3f4r h LYS 66 Cb 0.34 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3f4r h LYS 66 CO 0.00 0.57 0.08 0.93 -2.27 0.00 0.00 179.45 178.76 3f4r h GLU 67 N 0.60 1.04 0.09 1.90 5.08 -1.19 0.07 114.58 122.16 3f4r h GLU 67 Ca 0.16 -0.28 -0.26 0.00 -1.00 0.00 0.00 59.36 57.97 3f4r h GLU 67 Cb 0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3f4r h GLU 67 CO -0.02 0.97 -1.23 -0.22 -1.00 0.00 0.00 179.01 177.51 3f4r h LYS 68 N 0.97 0.18 0.00 2.33 3.64 -1.04 -3.40 116.57 119.25 3f4r h LYS 68 Ca 0.19 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3f4r h LYS 68 Cb 0.45 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3f4r h LYS 68 CO 0.02 1.12 -0.82 0.66 -2.27 0.00 0.00 179.45 178.15 3f4r n TYR 69 N -3.45 0.00 -0.10 1.91 4.01 -0.15 -4.61 117.16 114.77 3f4r n TYR 69 Ca -0.07 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.44 3f4r n TYR 69 Cb 1.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.92 3f4r n TYR 69 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3f4r n ILE 70 N -1.73 1.56 0.28 -0.72 5.41 -0.60 -1.02 119.36 122.54 3f4r n ILE 70 Ca 0.00 -0.16 0.14 0.00 1.00 0.00 0.00 62.75 63.73 3f4r n ILE 70 Cb 0.41 -1.97 0.81 0.00 -0.71 0.00 0.00 39.64 38.17 3f4r n ILE 70 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3f4r h ASP 71 N -0.87 0.00 -0.04 4.38 3.32 -1.25 -2.41 116.42 119.55 3f4r h ASP 71 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3f4r h ASP 71 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 3f4r h ASP 71 CO -0.21 0.07 0.00 0.35 -1.72 0.00 0.00 179.24 177.73 3f4r n THR 72 N -3.71 0.04 -1.05 0.35 -2.24 -1.26 -4.95 114.28 101.47 3f4r n THR 72 Ca -0.02 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 3f4r n THR 72 Cb 0.18 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 3f4r n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f4r n GLY 73 N 1.21 0.52 0.10 3.38 0.00 -0.91 -4.93 105.19 104.57 3f4r n GLY 73 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 3f4r n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f4r h LYS 74 N 0.47 0.00 -3.28 1.61 1.57 -1.48 -3.40 116.57 112.05 3f4r h LYS 74 Ca -0.03 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 3f4r h LYS 74 Cb 0.20 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.20 3f4r h LYS 74 CO 0.05 0.47 -0.59 1.41 -0.57 0.00 0.00 179.45 180.22 3f4r s MET 75 N -2.88 0.11 -0.07 3.15 0.00 -0.19 -1.76 119.30 117.66 3f4r s MET 75 Ca -0.00 0.33 -0.19 0.00 0.00 0.00 0.00 55.69 55.83 3f4r s MET 75 Cb 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 34.83 34.75 3f4r s MET 75 CO 0.79 -0.13 0.52 -1.17 0.00 0.00 0.00 175.02 175.03 3f4r s LEU 76 N 0.90 4.34 -0.15 4.11 2.96 0.47 -4.33 118.68 126.98 3f4r s LEU 76 Ca -0.07 0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 54.78 3f4r s LEU 76 Cb -0.09 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 3f4r s LEU 76 CO -0.05 0.06 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.49 3f4r s TYR 77 N 0.22 2.93 -0.22 5.38 5.04 0.12 -1.08 117.35 129.73 3f4r s TYR 77 Ca 0.28 -0.48 0.01 0.00 -2.44 0.00 0.00 57.07 54.44 3f4r s TYR 77 Cb -0.16 -1.91 0.06 0.00 0.35 0.00 0.00 41.96 40.29 3f4r s TYR 77 CO 0.13 -0.13 -0.06 0.42 -1.34 0.00 0.00 175.55 174.57 3f4r s ILE 78 N 0.40 1.51 -0.12 3.14 1.01 0.26 -1.23 121.20 126.17 3f4r s ILE 78 Ca -0.07 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.29 3f4r s ILE 78 Cb -0.15 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3f4r s ILE 78 CO 0.04 -0.03 0.40 0.12 0.00 0.00 0.00 174.94 175.47 3f4r s PHE 79 N 1.42 3.52 -0.04 3.97 5.36 -1.26 -1.07 117.98 129.88 3f4r s PHE 79 Ca -0.04 0.79 0.05 0.00 -0.96 0.00 0.00 56.93 56.77 3f4r s PHE 79 Cb -0.18 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 40.05 3f4r s PHE 79 CO -0.07 0.25 -0.21 1.03 -1.46 0.00 0.00 175.22 174.76 3f4r s ARG 80 N 0.37 2.04 0.47 10.12 0.52 0.66 -4.69 118.95 128.44 3f4r s ARG 80 Ca 0.22 -0.75 -0.21 0.00 -0.52 0.00 0.00 55.73 54.47 3f4r s ARG 80 Cb -0.14 -1.79 -0.08 0.00 0.52 0.00 0.00 34.95 33.45 3f4r s ARG 80 CO 0.08 0.34 1.08 -1.01 0.02 0.00 0.00 175.30 175.81 3f4r s HIS 81 N -0.16 2.98 -0.43 -0.53 3.76 -1.26 -2.95 115.29 116.71 3f4r s HIS 81 Ca -0.01 1.58 0.06 0.00 -0.15 0.00 0.00 55.06 56.54 3f4r s HIS 81 Cb -0.11 -3.17 0.20 0.00 1.11 0.00 0.00 32.58 30.61 3f4r s HIS 81 CO 0.02 -1.01 0.49 0.34 -0.85 0.00 0.00 174.74 173.72 3f4r n PHE 82 N -0.74 -1.35 -2.44 1.40 7.35 -0.98 -4.57 117.46 116.13 3f4r n PHE 82 Ca 0.08 -3.00 -0.37 0.00 -0.76 0.00 0.00 57.45 53.40 3f4r n PHE 82 Cb 0.51 0.35 -0.03 0.00 0.35 0.00 0.00 39.48 40.66 3f4r n PHE 82 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3f4r s PRO 83 N -0.15 4.16 0.00 -7.13 0.04 -1.26 -3.32 135.00 127.33 3f4r s PRO 83 Ca 0.33 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.04 3f4r s PRO 83 Cb 0.09 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 3f4r s PRO 83 CO -0.16 -0.18 0.17 1.28 0.04 0.00 0.00 177.00 178.15 3f4r n LEU 84 N 0.09 0.33 -3.97 -3.56 4.77 -1.26 -4.92 117.00 108.48 3f4r n LEU 84 Ca 0.04 -0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 55.26 3f4r n LEU 84 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3f4r n LEU 84 CO 0.48 0.08 0.30 1.51 -1.33 0.00 0.00 177.39 178.43 3f4r s ASP 85 N -0.75 0.45 0.09 -1.43 1.47 -1.26 -5.05 116.67 110.19 3f4r s ASP 85 Ca 0.00 -1.28 -0.31 0.00 1.18 0.00 0.00 52.55 52.14 3f4r s ASP 85 Cb 0.00 0.73 -0.14 0.00 -0.34 0.00 0.00 42.92 43.17 3f4r s ASP 85 CO 0.02 -1.44 1.62 0.22 0.68 0.00 0.00 175.17 176.27 3f4r h TYR 86 N 2.07 -0.90 -0.94 2.11 3.20 -1.99 -1.08 116.97 119.45 3f4r h TYR 86 Ca -0.29 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.60 3f4r h TYR 86 Cb 1.24 0.34 -0.05 0.00 1.54 0.00 0.00 36.73 39.80 3f4r h TYR 86 CO 1.32 -0.49 0.62 0.00 -1.64 0.00 0.00 178.16 177.97 3f4r h ARG 87 N -0.75 1.18 -0.20 1.82 3.08 -1.96 -0.28 114.38 117.26 3f4r h ARG 87 Ca -0.04 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 3f4r h ARG 87 Cb 0.65 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3f4r h ARG 87 CO -0.01 0.78 -0.45 0.78 -1.07 0.00 0.00 179.97 179.99 3f4r h GLY 88 N 1.21 0.56 1.02 0.04 0.00 -1.92 0.73 103.07 104.72 3f4r h GLY 88 Ca 0.36 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 3f4r h GLY 88 CO -0.10 0.53 -0.57 -2.00 0.00 0.00 0.00 176.54 174.40 3f4r h LEU 89 N 0.42 0.79 -0.69 3.11 5.85 -0.89 -1.00 115.31 122.90 3f4r h LEU 89 Ca 0.03 -0.60 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 3f4r h LEU 89 Cb 0.96 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3f4r h LEU 89 CO 0.08 1.26 0.19 0.11 -0.34 0.00 0.00 178.44 179.74 3f4r h LYS 90 N 0.37 1.09 -0.58 1.25 1.79 -0.99 0.21 116.57 119.71 3f4r h LYS 90 Ca -0.02 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.18 3f4r h LYS 90 Cb 1.20 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 3f4r h LYS 90 CO 0.12 0.95 0.29 0.00 -1.08 0.00 0.00 179.45 179.73 3f4r h ALA 91 N 1.09 0.75 -0.64 3.86 0.00 -0.77 -0.44 119.26 123.10 3f4r h ALA 91 Ca 0.22 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3f4r h ALA 91 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3f4r h ALA 91 CO -0.00 0.30 0.43 0.00 0.00 0.00 0.00 179.25 179.98 3f4r h ALA 92 N 1.12 0.82 -0.53 0.00 0.00 -0.86 -1.28 119.26 118.53 3f4r h ALA 92 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3f4r h ALA 92 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3f4r h ALA 92 CO -0.03 0.24 0.32 0.52 0.00 0.00 0.00 179.25 180.30 3f4r h MET 93 N 0.87 0.73 0.00 0.00 2.07 -0.68 -2.41 114.93 115.51 3f4r h MET 93 Ca 0.24 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.77 3f4r h MET 93 Cb -0.10 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.48 3f4r h MET 93 CO -0.05 0.53 -0.15 1.25 1.07 0.00 0.00 176.91 179.56 3f4r h LEU 94 N 0.71 0.00 -2.70 1.22 5.85 -0.46 -2.32 115.31 117.62 3f4r h LEU 94 Ca 0.19 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3f4r h LEU 94 Cb -0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3f4r h LEU 94 CO -0.03 0.15 -0.01 0.77 -0.34 0.00 0.00 178.44 178.98 3f4r h SER 95 N 0.00 0.00 0.77 1.25 4.64 -0.72 -0.78 113.55 118.71 3f4r h SER 95 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f4r h SER 95 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3f4r h SER 95 CO 0.02 0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 3f4r n HIS 96 N -3.36 0.00 0.77 4.77 8.25 -0.87 -1.96 115.22 122.82 3f4r n HIS 96 Ca -0.03 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.53 3f4r n HIS 96 Cb 0.09 -0.45 0.45 0.00 1.12 0.00 0.00 29.99 31.20 3f4r n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f4r s TYR 98 N -2.86 3.52 -0.07 0.00 2.02 -0.83 -4.99 117.35 114.15 3f4r s TYR 98 Ca 0.13 -2.25 -0.17 0.00 -0.37 0.00 0.00 57.07 54.41 3f4r s TYR 98 Cb 0.13 -3.10 -0.30 0.00 -0.40 0.00 0.00 41.96 38.30 3f4r s TYR 98 CO 0.34 -0.94 0.70 0.93 -1.57 0.00 0.00 175.55 175.01 3f4r h GLU 99 N 8.10 0.30 -6.97 -0.62 5.08 -1.85 -3.34 114.58 115.28 3f4r h GLU 99 Ca -0.15 -0.52 -0.52 0.00 -1.00 0.00 0.00 59.36 57.17 3f4r h GLU 99 Cb 1.05 0.19 0.08 0.00 0.50 0.00 0.00 28.75 30.58 3f4r h GLU 99 CO 0.69 1.25 0.57 0.15 -1.00 0.00 0.00 179.01 180.67 3f4r s LYS 100 N -2.48 3.83 0.21 2.33 1.02 -1.26 -4.84 119.74 118.54 3f4r s LYS 100 Ca -0.17 2.05 -0.10 0.00 0.02 0.00 0.00 55.97 57.77 3f4r s LYS 100 Cb 0.03 -2.61 0.17 0.00 -0.52 0.00 0.00 37.83 34.90 3f4r s LYS 100 CO 0.81 -0.57 1.86 -0.56 -0.92 0.00 0.00 175.35 175.97 3f4r h GLN 101 N 2.39 0.90 -0.25 1.68 3.07 -1.89 -1.32 115.11 119.69 3f4r h GLN 101 Ca -0.50 -0.05 -0.09 0.00 0.09 0.00 0.00 58.65 58.10 3f4r h GLN 101 Cb 1.25 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.60 3f4r h GLN 101 CO 0.61 0.59 -0.23 0.93 0.09 0.00 0.00 178.83 180.83 3f4r h GLU 102 N 0.92 0.47 -0.37 0.06 4.39 -1.92 -2.42 114.58 115.72 3f4r h GLU 102 Ca 0.28 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 3f4r h GLU 102 Cb -0.04 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3f4r h GLU 102 CO -0.08 0.67 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.91 3f4r h ASP 103 N 0.42 0.71 0.25 1.42 3.32 -1.70 -0.09 116.42 120.75 3f4r h ASP 103 Ca 0.06 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3f4r h ASP 103 Cb 0.63 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3f4r h ASP 103 CO 0.04 0.91 -0.17 0.22 -1.72 0.00 0.00 179.24 178.53 3f4r h TYR 104 N 0.51 -0.44 -0.73 4.55 3.20 -1.23 0.57 116.97 123.39 3f4r h TYR 104 Ca 0.09 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.98 3f4r h TYR 104 Cb 0.60 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 3f4r h TYR 104 CO 0.05 -0.26 0.47 0.35 -1.64 0.00 0.00 178.16 177.13 3f4r h PHE 105 N -0.41 0.89 -0.04 -3.82 3.57 -1.40 -1.80 116.94 113.93 3f4r h PHE 105 Ca -0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3f4r h PHE 105 Cb 0.36 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3f4r h PHE 105 CO -0.10 0.54 -0.40 -0.91 -2.23 0.00 0.00 178.31 175.21 3f4r h ASN 106 N 0.95 0.08 0.12 0.41 2.35 -0.77 0.10 115.58 118.82 3f4r h ASN 106 Ca 0.28 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3f4r h ASN 106 Cb -0.05 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3f4r h ASN 106 CO -0.08 0.47 -0.06 0.15 -1.65 0.00 0.00 177.43 176.26 3f4r h PHE 107 N 0.07 -0.15 -0.88 1.19 3.57 -0.31 -1.31 116.94 119.11 3f4r h PHE 107 Ca 0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3f4r h PHE 107 Cb 0.73 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 3f4r h PHE 107 CO 0.00 0.10 0.56 -0.91 -2.23 0.00 0.00 178.31 175.84 3f4r h ASN 108 N -0.40 1.03 -0.96 0.41 2.35 -1.14 -1.36 115.58 115.52 3f4r h ASN 108 Ca -0.02 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3f4r h ASN 108 Cb 0.32 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 3f4r h ASN 108 CO 0.03 0.77 0.61 0.50 -1.65 0.00 0.00 177.43 177.69 3f4r h LYS 109 N 1.21 1.29 -0.49 0.81 3.64 -0.93 -1.04 116.57 121.06 3f4r h LYS 109 Ca 0.32 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 3f4r h LYS 109 Cb -0.10 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.42 3f4r h LYS 109 CO -0.07 0.88 -0.16 0.00 -2.27 0.00 0.00 179.45 177.84 3f4r h ALA 110 N 1.34 0.67 0.10 5.00 0.00 -0.45 0.16 119.26 126.08 3f4r h ALA 110 Ca 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f4r h ALA 110 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3f4r h ALA 110 CO -0.07 0.62 -0.05 0.28 0.00 0.00 0.00 179.25 180.03 3f4r h VAL 111 N 0.82 0.98 -0.57 0.00 2.07 -0.80 -1.52 116.25 117.23 3f4r h VAL 111 Ca 0.12 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.44 3f4r h VAL 111 Cb 0.72 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 3f4r h VAL 111 CO 0.06 0.07 0.16 -0.26 0.02 0.00 0.00 177.57 177.62 3f4r h PHE 112 N -0.27 0.27 0.00 1.57 0.04 -1.10 -2.44 116.94 115.00 3f4r h PHE 112 Ca -0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3f4r h PHE 112 Cb 0.22 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 3f4r h PHE 112 CO -0.03 0.03 -0.12 -0.91 -0.60 0.00 0.00 178.31 176.68 3f4r h ASN 113 N 0.31 0.00 -0.51 2.17 2.35 -0.64 -2.92 115.58 116.34 3f4r h ASN 113 Ca 0.29 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3f4r h ASN 113 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3f4r h ASN 113 CO -0.34 0.12 0.04 -1.54 -1.65 0.00 0.00 177.43 174.06 3f4r n SER 114 N -3.63 5.01 -0.30 5.81 3.41 -0.60 -4.69 113.62 118.62 3f4r n SER 114 Ca -0.02 -3.03 0.20 0.00 -0.26 0.00 0.00 58.87 55.76 3f4r n SER 114 Cb 0.24 -0.66 0.47 0.00 -0.26 0.00 0.00 64.21 64.01 3f4r n SER 114 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3f4r h ILE 115 N 3.09 0.61 0.00 -1.33 2.10 -1.43 -0.23 117.51 120.32 3f4r h ILE 115 Ca 0.05 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.83 3f4r h ILE 115 Cb 1.88 0.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.71 3f4r h ILE 115 CO 0.45 0.09 0.00 0.47 -1.08 0.00 0.00 178.15 178.08 3f4r n ASP 116 N -4.61 0.04 -0.93 2.19 9.92 -1.26 -3.19 116.55 118.71 3f4r n ASP 116 Ca 0.23 0.51 0.12 0.00 -0.53 0.00 0.00 54.79 55.12 3f4r n ASP 116 Cb 0.76 -0.52 0.10 0.00 -0.64 0.00 0.00 41.12 40.82 3f4r n ASP 116 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3f4r n SER 117 N -1.55 2.93 -4.65 -2.24 7.64 -0.10 -4.94 113.62 110.70 3f4r n SER 117 Ca 0.02 -1.96 -0.30 0.00 1.01 0.00 0.00 58.87 57.64 3f4r n SER 117 Cb 0.11 0.01 0.17 0.00 -1.01 0.00 0.00 64.21 63.49 3f4r n SER 117 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3f4r s TRP 118 N -1.94 1.89 -0.47 1.43 0.52 -1.19 -4.70 118.94 114.47 3f4r s TRP 118 Ca 0.27 1.45 -0.21 0.00 0.02 0.00 0.00 56.10 57.63 3f4r s TRP 118 Cb 0.19 -3.19 0.03 0.00 -1.15 0.00 0.00 33.47 29.36 3f4r s TRP 118 CO 0.29 -2.82 0.67 1.21 0.02 0.00 0.00 176.95 176.32 3f4r s ASN 119 N -2.96 6.30 0.00 2.95 3.84 -1.26 -4.94 114.94 118.87 3f4r s ASN 119 Ca 0.65 -0.48 0.30 0.00 0.21 0.00 0.00 52.86 53.54 3f4r s ASN 119 Cb -0.21 -2.32 1.45 0.00 -0.55 0.00 0.00 41.25 39.62 3f4r s ASN 119 CO 0.59 -0.85 1.98 -1.22 -2.79 0.00 0.00 177.10 174.81 3f4r n TYR 120 N 6.36 0.00 -0.14 0.43 4.01 -1.26 -3.83 117.16 122.73 3f4r n TYR 120 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.43 3f4r n TYR 120 Cb 0.47 -0.09 -0.10 0.00 -0.31 0.00 0.00 39.34 39.32 3f4r n TYR 120 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3f4r n TYR 121 N -0.77 0.02 -3.31 -0.72 9.36 -1.26 -4.75 117.16 115.73 3f4r n TYR 121 Ca 0.19 0.01 -0.46 0.00 3.32 0.00 0.00 57.90 60.95 3f4r n TYR 121 Cb 0.23 -0.97 -0.04 0.00 -0.63 0.00 0.00 39.34 37.93 3f4r n TYR 121 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3f4r s ASN 122 N -7.39 6.44 0.00 2.98 3.84 -1.25 -4.91 114.94 114.65 3f4r s ASN 122 Ca -0.38 -2.18 0.19 0.00 0.21 0.00 0.00 52.86 50.70 3f4r s ASN 122 Cb 0.14 -2.21 1.06 0.00 -0.55 0.00 0.00 41.25 39.69 3f4r s ASN 122 CO 0.49 -0.74 1.54 0.18 -2.79 0.00 0.00 177.10 175.78 3f4r n LEU 123 N 4.73 0.00 -1.03 3.21 4.77 -1.25 -1.57 117.00 125.86 3f4r n LEU 123 Ca -0.02 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 3f4r n LEU 123 Cb 0.43 -0.10 0.14 0.00 -2.33 0.00 0.00 43.42 41.56 3f4r n LEU 123 CO 0.45 -0.04 0.66 -1.20 -1.33 0.00 0.00 177.39 175.93 3f4r n SER 124 N -1.10 3.17 -4.62 -1.43 7.64 -1.26 -4.20 113.62 111.82 3f4r n SER 124 Ca 0.12 -2.00 -0.43 0.00 1.01 0.00 0.00 58.87 57.57 3f4r n SER 124 Cb 0.09 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 3f4r n SER 124 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3f4r s ASP 125 N -1.83 6.74 -0.31 6.43 -1.08 -0.61 -4.90 116.67 121.12 3f4r s ASP 125 Ca 0.32 0.75 0.11 0.00 -0.52 0.00 0.00 52.55 53.20 3f4r s ASP 125 Cb 0.21 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.88 3f4r s ASP 125 CO 0.31 -1.10 1.79 0.18 0.52 0.00 0.00 175.17 176.87 3f4r n LEU 126 N 7.48 5.99 -0.29 -1.34 4.77 -1.26 -4.57 117.00 127.78 3f4r n LEU 126 Ca 0.12 -3.18 0.18 0.00 -0.03 0.00 0.00 56.01 53.10 3f4r n LEU 126 Cb 0.48 -0.73 0.45 0.00 -2.33 0.00 0.00 43.42 41.29 3f4r n LEU 126 CO 0.66 0.78 1.22 0.74 -1.33 0.00 0.00 177.39 179.46 3f4r h THR 127 N 2.87 0.67 -0.67 -5.08 2.02 -1.96 -0.20 112.91 110.57 3f4r h THR 127 Ca 0.22 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3f4r h THR 127 Cb 2.26 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 3f4r h THR 127 CO 0.69 0.10 0.37 0.25 0.37 0.00 0.00 175.52 177.29 3f4r h LEU 128 N 0.52 0.83 -0.93 2.58 5.85 -1.84 -0.96 115.31 121.36 3f4r h LEU 128 Ca 0.52 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 59.06 3f4r h LEU 128 Cb 1.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3f4r h LEU 128 CO -0.25 0.68 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.38 3f4r h LEU 129 N 0.91 0.67 -0.98 2.25 3.38 -1.42 -0.53 115.31 119.59 3f4r h LEU 129 Ca 0.23 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3f4r h LEU 129 Cb 0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3f4r h LEU 129 CO -0.04 0.79 0.64 1.56 0.09 0.00 0.00 178.44 181.49 3f4r h GLN 130 N 0.63 1.23 -0.38 1.13 4.20 -0.70 0.51 115.11 121.73 3f4r h GLN 130 Ca 0.12 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3f4r h GLN 130 Cb 0.52 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3f4r h GLN 130 CO 0.03 0.81 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.84 3f4r h ARG 131 N 1.27 0.72 -0.57 1.46 1.12 -0.61 -0.74 114.38 117.03 3f4r h ARG 131 Ca 0.38 -0.26 -0.06 0.00 -1.11 0.00 0.00 59.98 58.92 3f4r h ARG 131 Cb -0.06 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 29.83 3f4r h ARG 131 CO -0.11 0.85 0.10 0.82 -3.11 0.00 0.00 179.97 178.53 3f4r h ILE 132 N 0.53 1.24 -0.25 1.20 2.04 -0.86 -1.39 117.51 120.02 3f4r h ILE 132 Ca 0.10 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3f4r h ILE 132 Cb 0.58 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3f4r h ILE 132 CO 0.03 0.34 -0.08 0.00 0.00 0.00 0.00 178.15 178.44 3f4r h ALA 133 N 1.25 0.35 -0.28 1.87 0.00 -0.79 -1.99 119.26 119.67 3f4r h ALA 133 Ca 0.18 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3f4r h ALA 133 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3f4r h ALA 133 CO 0.01 0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.57 3f4r h ALA 134 N 0.75 0.34 0.00 0.00 0.00 -0.95 -1.76 119.26 117.63 3f4r h ALA 134 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3f4r h ALA 134 Cb 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3f4r h ALA 134 CO 0.03 -0.25 -0.04 -0.07 0.00 0.00 0.00 179.25 178.92 3f4r h LEU 135 N 0.30 0.00 -2.95 0.00 3.38 -1.11 -1.12 115.31 113.81 3f4r h LEU 135 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3f4r h LEU 135 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3f4r h LEU 135 CO -0.07 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 3f4r n SER 136 N -4.15 4.51 -2.35 -0.43 3.41 -0.76 -4.96 113.62 108.89 3f4r n SER 136 Ca -0.03 -2.38 -0.17 0.00 -0.26 0.00 0.00 58.87 56.03 3f4r n SER 136 Cb 0.13 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.51 3f4r n SER 136 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3f4r n ASN 137 N 1.15 -5.04 -4.68 4.04 4.13 -0.42 -4.96 115.26 109.48 3f4r n ASN 137 Ca 0.25 0.10 -0.43 0.00 1.68 0.00 0.00 54.58 56.18 3f4r n ASN 137 Cb 0.83 -4.25 -0.02 0.00 -1.54 0.00 0.00 39.78 34.80 3f4r n ASN 137 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3f4r s LEU 138 N -5.75 4.22 0.52 3.41 2.96 -0.72 -5.00 118.68 118.32 3f4r s LEU 138 Ca 0.00 1.60 -0.21 0.00 -0.22 0.00 0.00 54.13 55.29 3f4r s LEU 138 Cb 0.00 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.08 3f4r s LEU 138 CO 0.00 -0.56 1.22 -0.54 -1.32 0.00 0.00 176.35 175.15 3f4r s LYS 139 N 2.43 3.41 0.28 1.98 1.02 -1.26 -4.58 119.74 123.02 3f4r s LYS 139 Ca 0.50 1.88 0.01 0.00 0.02 0.00 0.00 55.97 58.38 3f4r s LYS 139 Cb -0.20 -2.23 0.54 0.00 -0.52 0.00 0.00 37.83 35.41 3f4r s LYS 139 CO 0.16 -0.87 1.83 0.37 -0.92 0.00 0.00 175.35 175.92 3f4r h GLN 140 N 1.59 0.94 -0.80 1.68 5.75 -1.97 0.98 115.11 123.27 3f4r h GLN 140 Ca -0.50 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 57.93 3f4r h GLN 140 Cb 1.27 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 3f4r h GLN 140 CO 0.58 0.62 0.44 0.38 -2.65 0.00 0.00 178.83 178.21 3f4r h ASP 141 N 0.97 0.98 -0.13 -0.69 3.04 -1.99 0.57 116.42 119.17 3f4r h ASP 141 Ca 0.49 -0.08 -0.11 0.00 -3.24 0.00 0.00 57.03 54.09 3f4r h ASP 141 Cb 0.48 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 3f4r h ASP 141 CO -0.27 0.79 -0.36 0.00 -2.04 0.00 0.00 179.24 177.36 3f4r h ALA 142 N 1.38 0.22 -0.33 4.15 0.00 -1.62 -1.92 119.26 121.14 3f4r h ALA 142 Ca 0.28 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3f4r h ALA 142 Cb 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3f4r h ALA 142 CO -0.05 0.30 -0.13 0.35 0.00 0.00 0.00 179.25 179.72 3f4r h PHE 143 N 0.08 -0.31 -0.56 0.00 3.57 -0.64 -0.07 116.94 119.00 3f4r h PHE 143 Ca -0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3f4r h PHE 143 Cb 0.97 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3f4r h PHE 143 CO 0.11 -0.20 0.11 -0.91 -2.23 0.00 0.00 178.31 175.18 3f4r h ASN 144 N -0.07 0.83 -0.21 0.41 2.35 -0.78 -0.99 115.58 117.11 3f4r h ASN 144 Ca 0.16 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3f4r h ASN 144 Cb 0.32 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3f4r h ASN 144 CO -0.38 0.82 0.06 -0.61 -1.65 0.00 0.00 177.43 175.68 3f4r h GLN 145 N 0.84 0.34 -0.44 0.81 5.75 -0.98 -3.01 115.11 118.41 3f4r h GLN 145 Ca 0.18 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 3f4r h GLN 145 Cb 0.34 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3f4r h GLN 145 CO 0.00 0.44 -0.07 0.00 -2.65 0.00 0.00 178.83 176.55 3f4r n ILE 147 N -4.32 0.25 -0.01 0.00 -5.35 -0.43 -2.82 119.36 106.68 3f4r n ILE 147 Ca -0.00 0.06 0.01 0.00 -0.27 0.00 0.00 62.75 62.55 3f4r n ILE 147 Cb 0.35 -0.65 0.03 0.00 -1.74 0.00 0.00 39.64 37.63 3f4r n ILE 147 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3f4r n ASN 148 N -1.34 1.99 -4.58 7.28 3.02 -1.11 -4.97 115.26 115.54 3f4r n ASN 148 Ca 0.10 -1.80 -0.41 0.00 -0.03 0.00 0.00 54.58 52.44 3f4r n ASN 148 Cb 0.22 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3f4r n ASN 148 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3f4r s ASP 149 N -0.83 6.00 0.31 6.41 -1.08 -0.79 -4.88 116.67 121.81 3f4r s ASP 149 Ca 0.05 0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.53 3f4r s ASP 149 Cb 0.03 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.44 3f4r s ASP 149 CO 0.03 -1.78 1.81 0.50 0.52 0.00 0.00 175.17 176.25 3f4r h LYS 150 N 11.76 0.56 -0.76 4.34 3.64 -1.91 -0.91 116.57 133.28 3f4r h LYS 150 Ca -0.27 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 3f4r h LYS 150 Cb 1.11 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 3f4r h LYS 150 CO 1.16 0.64 0.43 0.87 -2.27 0.00 0.00 179.45 180.29 3f4r h LYS 151 N 0.53 1.06 -0.22 1.90 1.57 -1.99 -0.12 116.57 119.29 3f4r h LYS 151 Ca 0.10 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3f4r h LYS 151 Cb 0.45 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3f4r h LYS 151 CO 0.02 0.77 -0.39 0.82 -0.57 0.00 0.00 179.45 180.10 3f4r h ILE 152 N 1.05 1.32 -0.55 1.86 1.08 -1.87 -1.91 117.51 118.49 3f4r h ILE 152 Ca 0.27 -1.61 0.05 0.00 -0.39 0.00 0.00 64.86 63.18 3f4r h ILE 152 Cb 0.01 1.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.51 3f4r h ILE 152 CO -0.05 0.50 0.28 -0.03 -0.69 0.00 0.00 178.15 178.17 3f4r h MET 153 N 0.36 0.53 -0.61 2.37 4.05 -0.92 -1.59 114.93 119.12 3f4r h MET 153 Ca 0.01 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 3f4r h MET 153 Cb 0.99 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 3f4r h MET 153 CO 0.09 0.35 0.24 -0.44 0.23 0.00 0.00 176.91 177.38 3f4r h ASP 154 N 0.55 0.84 -0.66 1.39 3.32 -0.95 -1.01 116.42 119.90 3f4r h ASP 154 Ca 0.24 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3f4r h ASP 154 Cb 0.14 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3f4r h ASP 154 CO -0.16 0.79 0.41 0.50 -1.72 0.00 0.00 179.24 179.05 3f4r h LYS 155 N 0.85 0.89 -0.29 3.56 3.64 -1.03 -0.52 116.57 123.67 3f4r h LYS 155 Ca 0.20 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3f4r h LYS 155 Cb 0.20 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3f4r h LYS 155 CO -0.02 0.63 0.06 0.82 -2.27 0.00 0.00 179.45 178.67 3f4r h ILE 156 N 0.90 1.22 -0.50 2.00 2.04 -0.90 -0.38 117.51 121.88 3f4r h ILE 156 Ca 0.24 -0.75 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 3f4r h ILE 156 Cb -0.04 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3f4r h ILE 156 CO -0.05 0.25 -0.17 0.58 0.00 0.00 0.00 178.15 178.76 3f4r h VAL 157 N 0.30 1.27 -0.53 1.67 2.07 -1.07 -1.20 116.25 118.77 3f4r h VAL 157 Ca 0.09 -1.33 -0.11 0.00 0.82 0.00 0.00 66.70 66.16 3f4r h VAL 157 Cb 0.31 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3f4r h VAL 157 CO 0.00 0.46 -0.12 0.78 0.02 0.00 0.00 177.57 178.72 3f4r h ASN 158 N 0.86 1.00 -0.73 0.57 -0.26 -0.96 -0.30 115.58 115.75 3f4r h ASN 158 Ca 0.12 -0.33 -0.07 0.00 -0.56 0.00 0.00 56.30 55.46 3f4r h ASN 158 Cb 0.75 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.71 3f4r h ASN 158 CO 0.06 1.12 0.19 0.44 -1.06 0.00 0.00 177.43 178.18 3f4r h ASP 159 N 0.88 1.09 -0.21 5.81 3.32 -0.90 -0.27 116.42 126.15 3f4r h ASP 159 Ca 0.14 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3f4r h ASP 159 Cb 0.68 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3f4r h ASP 159 CO 0.05 1.03 0.09 0.50 -1.72 0.00 0.00 179.24 179.19 3f4r h LYS 160 N 1.10 0.20 -0.08 3.56 3.64 -0.94 -1.54 116.57 122.51 3f4r h LYS 160 Ca 0.23 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3f4r h LYS 160 Cb 0.35 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3f4r h LYS 160 CO -0.00 0.13 -0.32 0.66 -2.27 0.00 0.00 179.45 177.65 3f4r h SER 161 N 0.21 0.15 -0.64 4.20 4.64 -0.68 -1.34 113.55 120.09 3f4r h SER 161 Ca 0.08 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 3f4r h SER 161 Cb 0.03 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 3f4r h SER 161 CO -0.07 0.47 0.08 0.25 -0.87 0.00 0.00 176.83 176.70 3f4r h LEU 162 N 0.13 1.04 -0.64 5.97 5.85 -0.92 -0.32 115.31 126.43 3f4r h LEU 162 Ca 0.02 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 3f4r h LEU 162 Cb 0.64 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3f4r h LEU 162 CO 0.05 1.04 -0.20 0.00 -0.34 0.00 0.00 178.44 178.99 3f4r h ALA 163 N 1.07 0.83 -0.32 1.25 0.00 -0.66 0.38 119.26 121.81 3f4r h ALA 163 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3f4r h ALA 163 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3f4r h ALA 163 CO 0.02 0.65 0.17 0.82 0.00 0.00 0.00 179.25 180.90 3f4r h ILE 164 N 0.75 1.14 0.00 0.00 2.04 -1.00 -0.75 117.51 119.70 3f4r h ILE 164 Ca 0.11 -0.37 -0.18 0.00 1.00 0.00 0.00 64.86 65.42 3f4r h ILE 164 Cb 0.73 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3f4r h ILE 164 CO 0.06 0.14 -0.87 0.78 0.00 0.00 0.00 178.15 178.26 3f4r h ASN 165 N 0.40 0.00 0.00 1.72 2.35 -0.90 -3.00 115.58 116.15 3f4r h ASN 165 Ca 0.11 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 3f4r h ASN 165 Cb 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3f4r h ASN 165 CO -0.02 0.82 -1.92 0.29 -1.65 0.00 0.00 177.43 174.95 3f4r n LYS 166 N -3.28 1.03 0.00 0.81 4.76 0.11 -4.70 118.16 116.89 3f4r n LYS 166 Ca -0.00 -0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.39 3f4r n LYS 166 Cb 0.87 -1.40 -0.00 0.00 -1.84 0.00 0.00 35.03 32.66 3f4r n LYS 166 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3f4r n LEU 167 N -2.35 0.81 -2.99 -0.35 4.77 -0.32 -4.53 117.00 112.05 3f4r n LEU 167 Ca -0.15 -0.74 -0.16 0.00 -0.03 0.00 0.00 56.01 54.93 3f4r n LEU 167 Cb 0.74 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.90 3f4r n LEU 167 CO 0.34 0.18 0.13 0.61 -1.33 0.00 0.00 177.39 177.31 3f4r n GLY 168 N 0.73 -0.23 3.76 -0.72 0.00 -1.01 -4.99 105.19 102.74 3f4r n GLY 168 Ca 0.02 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3f4r n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f4r s ILE 169 N -3.28 5.13 0.00 -0.61 1.01 -1.21 -4.96 121.20 117.28 3f4r s ILE 169 Ca 0.17 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.71 3f4r s ILE 169 Cb -0.08 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3f4r s ILE 169 CO 0.59 0.42 0.00 0.35 0.00 0.00 0.00 174.94 176.30 3f4r n THR 170 N 3.01 0.00 -2.39 2.92 -2.24 -1.26 -4.59 114.28 109.73 3f4r n THR 170 Ca -0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3f4r n THR 170 Cb 0.52 -0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 3f4r n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f4r s ALA 171 N -2.00 3.31 0.56 6.98 0.00 -1.26 -5.01 121.76 124.35 3f4r s ALA 171 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 3f4r s ALA 171 Cb 0.00 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 3f4r s ALA 171 CO 0.00 -1.87 1.07 0.95 0.00 0.00 0.00 175.76 175.91 3f4r s THR 172 N 4.58 3.65 0.36 0.00 -4.23 -1.26 -4.38 115.64 114.35 3f4r s THR 172 Ca 0.58 0.88 0.01 0.00 -1.18 0.00 0.00 61.69 61.98 3f4r s THR 172 Cb -0.17 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 3f4r s THR 172 CO 0.25 -0.37 0.55 -2.16 -0.54 0.00 0.00 174.62 172.35 3f4r s PRO 173 N -3.74 3.39 -0.05 3.99 0.04 -1.26 -4.87 135.00 132.50 3f4r s PRO 173 Ca 0.66 -0.42 0.02 0.00 0.04 0.00 0.00 61.00 61.30 3f4r s PRO 173 Cb -0.18 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.71 3f4r s PRO 173 CO 0.31 0.09 -0.09 0.42 0.04 0.00 0.00 177.00 177.77 3f4r s ILE 174 N -2.33 0.88 -0.06 0.56 -1.09 -0.87 -2.00 121.20 116.30 3f4r s ILE 174 Ca 0.41 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.50 3f4r s ILE 174 Cb -0.10 -0.81 -0.03 0.00 -1.58 0.00 0.00 42.46 39.95 3f4r s ILE 174 CO 0.36 0.29 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.85 3f4r s PHE 175 N 0.53 2.72 -0.19 3.97 0.08 0.28 -1.06 117.98 124.32 3f4r s PHE 175 Ca -0.10 -0.18 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3f4r s PHE 175 Cb -0.13 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3f4r s PHE 175 CO 0.02 0.17 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.13 3f4r s PHE 176 N -0.66 2.87 -0.14 0.36 0.08 0.21 -0.35 117.98 120.35 3f4r s PHE 176 Ca 0.10 -1.09 0.01 0.00 0.12 0.00 0.00 56.93 56.07 3f4r s PHE 176 Cb -0.11 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 3f4r s PHE 176 CO 0.01 -0.56 -0.16 0.42 -0.10 0.00 0.00 175.22 174.83 3f4r s ILE 177 N 1.18 1.68 0.30 0.64 1.01 -0.51 -0.83 121.20 124.67 3f4r s ILE 177 Ca 0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 3f4r s ILE 177 Cb -0.14 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3f4r s ILE 177 CO -0.04 0.48 0.55 -1.59 0.00 0.00 0.00 174.94 174.33 3f4r s LYS 178 N 1.21 1.78 0.27 2.79 -2.85 -0.49 -4.79 119.74 117.67 3f4r s LYS 178 Ca -0.00 -1.40 -0.29 0.00 -1.00 0.00 0.00 55.97 53.27 3f4r s LYS 178 Cb -0.14 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.04 3f4r s LYS 178 CO -0.07 -0.77 1.28 -0.51 0.10 0.00 0.00 175.35 175.38 3f4r s LEU 179 N -3.08 4.44 -1.50 2.77 1.43 -1.26 -0.58 118.68 120.90 3f4r s LEU 179 Ca 0.23 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.73 3f4r s LEU 179 Cb -0.02 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3f4r s LEU 179 CO 0.12 -0.47 2.50 -3.20 0.23 0.00 0.00 176.35 175.53 3f4r n ASN 180 N 1.56 6.21 -3.97 2.29 5.15 0.14 -4.64 115.26 122.00 3f4r n ASN 180 Ca 0.02 -2.78 -0.30 0.00 -0.60 0.00 0.00 54.58 50.92 3f4r n ASN 180 Cb 0.43 -1.58 -0.16 0.00 -0.53 0.00 0.00 39.78 37.93 3f4r n ASN 180 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3f4r s ASP 181 N 2.37 3.38 0.00 1.20 2.15 -1.26 -4.92 116.67 119.60 3f4r s ASP 181 Ca 0.56 -0.90 0.16 0.00 0.43 0.00 0.00 52.55 52.80 3f4r s ASP 181 Cb 0.16 -1.18 0.67 0.00 -0.30 0.00 0.00 42.92 42.26 3f4r s ASP 181 CO -0.07 -0.16 1.50 0.47 -0.17 0.00 0.00 175.17 176.73 3f4r n ASP 182 N 4.71 0.01 0.01 -0.34 8.00 -1.26 -3.18 116.55 124.50 3f4r n ASP 182 Ca -0.14 0.50 0.11 0.00 0.71 0.00 0.00 54.79 55.97 3f4r n ASP 182 Cb 0.46 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 3f4r n ASP 182 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3f4r n LYS 183 N -1.51 0.09 -3.44 -1.24 5.02 -1.26 -4.98 118.16 110.85 3f4r n LYS 183 Ca 0.04 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 3f4r n LYS 183 Cb 0.18 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 3f4r n LYS 183 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3f4r s SER 184 N -3.27 6.52 -0.19 4.39 0.01 -1.19 -5.08 113.70 114.88 3f4r s SER 184 Ca 0.07 0.76 -0.05 0.00 1.31 0.00 0.00 55.95 58.03 3f4r s SER 184 Cb 0.16 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 3f4r s SER 184 CO 0.81 -0.10 0.01 -0.47 0.41 0.00 0.00 173.24 173.90 3f4r s TYR 185 N -1.90 3.07 -0.04 2.43 5.04 -1.26 -5.07 117.35 119.61 3f4r s TYR 185 Ca 0.44 -0.34 -0.03 0.00 -2.44 0.00 0.00 57.07 54.70 3f4r s TYR 185 Cb -0.11 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.14 3f4r s TYR 185 CO 0.26 -0.15 0.10 -1.50 -1.34 0.00 0.00 175.55 172.92 3f4r s ILE 186 N 0.81 -0.00 0.03 3.14 -1.16 -1.26 -5.12 121.20 117.63 3f4r s ILE 186 Ca 0.01 0.01 -0.30 0.00 -0.51 0.00 0.00 60.65 59.85 3f4r s ILE 186 Cb -0.14 -0.14 -0.06 0.00 0.61 0.00 0.00 42.46 42.73 3f4r s ILE 186 CO 0.02 0.00 1.29 -1.61 -2.81 0.00 0.00 174.94 171.83 3f4r s GLU 187 N 0.10 4.35 0.34 3.50 2.02 -1.26 -4.83 118.70 122.92 3f4r s GLU 187 Ca -0.00 1.86 0.02 0.00 0.02 0.00 0.00 54.97 56.87 3f4r s GLU 187 Cb -0.01 -3.43 0.62 0.00 0.10 0.00 0.00 34.13 31.40 3f4r s GLU 187 CO -0.00 -0.41 1.97 1.12 0.02 0.00 0.00 175.26 177.96 3f4r h HIS 188 N 7.21 0.86 0.00 1.61 2.07 -1.98 -0.00 115.15 124.92 3f4r h HIS 188 Ca -0.39 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.14 3f4r h HIS 188 Cb 1.19 -0.29 -0.00 0.00 2.57 0.00 0.00 27.41 30.88 3f4r h HIS 188 CO 0.70 0.51 -0.02 -0.91 -3.07 0.00 0.00 177.93 175.14 3f4r h ASN 189 N 0.90 0.00 1.18 3.10 2.35 -1.94 -2.16 115.58 119.01 3f4r h ASN 189 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3f4r h ASN 189 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3f4r h ASN 189 CO -0.08 0.02 0.00 0.11 -1.65 0.00 0.00 177.43 175.83 3f4r h LYS 190 N 0.00 0.00 -0.05 0.81 1.57 -1.38 -3.21 116.57 114.30 3f4r h LYS 190 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f4r h LYS 190 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3f4r h LYS 190 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.21 3f4r n VAL 191 N -2.61 1.68 -3.64 0.50 0.24 -0.83 -5.04 118.33 108.63 3f4r n VAL 191 Ca 0.03 -1.84 -0.37 0.00 -2.04 0.00 0.00 64.34 60.12 3f4r n VAL 191 Cb 0.34 -0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 3f4r n VAL 191 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3f4r s LYS 192 N -2.32 3.73 -0.03 7.34 2.20 -1.13 -1.42 119.74 128.11 3f4r s LYS 192 Ca 0.25 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 3f4r s LYS 192 Cb 0.21 -3.18 0.03 0.00 -1.51 0.00 0.00 37.83 33.38 3f4r s LYS 192 CO 0.04 0.70 -0.01 -1.01 -0.36 0.00 0.00 175.35 174.71 3f4r s HIS 193 N -1.11 0.38 0.07 4.03 3.76 0.53 -4.99 115.29 117.95 3f4r s HIS 193 Ca 0.22 -0.03 0.10 0.00 -0.15 0.00 0.00 55.06 55.20 3f4r s HIS 193 Cb -0.15 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 3f4r s HIS 193 CO 0.11 -0.14 -0.25 0.20 -0.85 0.00 0.00 174.74 173.81 3f4r s GLY 194 N 1.04 1.48 0.00 -2.22 0.00 -1.26 -0.55 107.32 105.81 3f4r s GLY 194 Ca -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.30 3f4r s GLY 194 CO -0.02 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.45 3f4r n GLY 195 N 1.46 -2.23 3.69 0.20 0.00 -0.85 -4.83 105.19 102.64 3f4r n GLY 195 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3f4r n GLY 195 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f4r s TYR 196 N -0.29 3.00 -0.01 1.61 5.04 -1.26 -4.85 117.35 120.59 3f4r s TYR 196 Ca 0.00 0.95 0.07 0.00 -2.44 0.00 0.00 57.07 55.65 3f4r s TYR 196 Cb 0.00 -3.59 -0.02 0.00 0.35 0.00 0.00 41.96 38.70 3f4r s TYR 196 CO 0.00 -2.11 -0.22 0.15 -1.34 0.00 0.00 175.55 172.03 3f4r s LYS 197 N 2.15 1.72 0.76 4.97 -0.14 -1.26 -5.14 119.74 122.80 3f4r s LYS 197 Ca 0.62 -0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 54.31 3f4r s LYS 197 Cb -0.30 -1.69 0.05 0.00 -1.68 0.00 0.00 37.83 34.21 3f4r s LYS 197 CO 0.26 0.46 1.08 -1.83 -0.76 0.00 0.00 175.35 174.56 3f4r s GLU 198 N -0.61 2.39 0.20 1.68 -1.05 -1.26 -4.91 118.70 115.14 3f4r s GLU 198 Ca 0.08 0.75 -0.12 0.00 -0.15 0.00 0.00 54.97 55.53 3f4r s GLU 198 Cb -0.08 -1.94 0.24 0.00 -0.44 0.00 0.00 34.13 31.90 3f4r s GLU 198 CO -0.00 -1.43 1.68 1.25 0.95 0.00 0.00 175.26 177.71 3f4r h LEU 199 N -0.95 -0.17 -1.63 1.83 5.85 -1.93 -1.93 115.31 116.38 3f4r h LEU 199 Ca -0.46 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.46 3f4r h LEU 199 Cb 1.25 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3f4r h LEU 199 CO 0.58 -0.06 0.37 0.50 -0.34 0.00 0.00 178.44 179.49 3f4r h LYS 200 N 0.15 0.42 0.12 1.25 1.63 -1.99 0.31 116.57 118.46 3f4r h LYS 200 Ca 0.28 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 3f4r h LYS 200 Cb 0.43 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3f4r h LYS 200 CO -0.44 0.28 -0.06 -0.92 -3.45 0.00 0.00 179.45 174.86 3f4r h TYR 201 N 0.44 -0.15 -0.25 1.91 3.20 -1.71 -1.71 116.97 118.69 3f4r h TYR 201 Ca 0.24 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 3f4r h TYR 201 Cb 0.40 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3f4r h TYR 201 CO -0.00 -0.10 -0.45 0.74 -1.64 0.00 0.00 178.16 176.71 3f4r h PHE 202 N -0.16 0.76 -0.51 -3.82 0.04 -1.24 -2.28 116.94 109.72 3f4r h PHE 202 Ca -0.01 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.46 3f4r h PHE 202 Cb 0.13 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3f4r h PHE 202 CO -0.07 0.97 0.11 1.79 -0.60 0.00 0.00 178.31 180.51 3f4r h THR 203 N 0.50 1.22 -0.25 -1.55 1.35 -0.94 0.10 112.91 113.35 3f4r h THR 203 Ca 0.03 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3f4r h THR 203 Cb 0.99 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 3f4r h THR 203 CO 0.09 0.30 0.11 0.78 -0.25 0.00 0.00 175.52 176.55 3f4r h ASN 204 N 0.76 0.34 -0.21 5.36 2.35 -1.16 -0.27 115.58 122.74 3f4r h ASN 204 Ca 0.17 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3f4r h ASN 204 Cb 0.30 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3f4r h ASN 204 CO 0.00 0.39 0.02 0.58 -1.65 0.00 0.00 177.43 176.77 3f4r h VAL 205 N 0.27 1.24 -0.15 2.81 2.07 -1.11 -2.89 116.25 118.49 3f4r h VAL 205 Ca 0.09 -0.81 -0.18 0.00 0.82 0.00 0.00 66.70 66.61 3f4r h VAL 205 Cb 0.15 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3f4r h VAL 205 CO -0.01 0.25 -0.63 0.40 0.02 0.00 0.00 177.57 177.60 3f4r h ILE 206 N 0.15 1.31 -0.98 4.57 2.04 -0.79 -2.50 117.51 121.31 3f4r h ILE 206 Ca 0.06 -1.87 0.01 0.00 1.00 0.00 0.00 64.86 64.07 3f4r h ILE 206 Cb 0.35 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 3f4r h ILE 206 CO 0.01 0.58 0.65 0.44 0.00 0.00 0.00 178.15 179.83 3f4r h ASP 207 N 0.38 1.12 -0.39 1.72 3.32 -1.11 0.11 116.42 121.57 3f4r h ASP 207 Ca -0.04 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 3f4r h ASP 207 Cb 1.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3f4r h ASP 207 CO 0.13 0.81 -0.24 0.11 -1.72 0.00 0.00 179.24 178.32 3f4r h LYS 208 N 1.32 0.85 -0.52 3.56 1.57 -1.49 -1.75 116.57 120.12 3f4r h LYS 208 Ca 0.36 -0.40 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3f4r h LYS 208 Cb -0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3f4r h LYS 208 CO -0.08 1.04 0.04 1.25 -0.57 0.00 0.00 179.45 181.13 3f4r h LEU 209 N 0.66 0.86 -0.60 2.94 5.85 -1.14 -2.59 115.31 121.30 3f4r h LEU 209 Ca 0.08 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 3f4r h LEU 209 Cb 0.81 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3f4r h LEU 209 CO 0.07 0.93 0.10 0.22 -0.34 0.00 0.00 178.44 179.42 3f4r h TYR 210 N 0.77 1.05 -0.62 1.25 3.20 -0.69 0.16 116.97 122.08 3f4r h TYR 210 Ca 0.15 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3f4r h TYR 210 Cb 0.46 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3f4r h TYR 210 CO 0.03 0.91 0.40 0.78 -1.64 0.00 0.00 178.16 178.64 3f4r h GLY 211 N 0.90 0.89 0.99 1.82 0.00 -1.26 -0.03 103.07 106.38 3f4r h GLY 211 Ca 0.18 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3f4r h GLY 211 CO 0.01 0.28 0.08 0.50 0.00 0.00 0.00 176.54 177.41 3f4r h LYS 212 N 0.79 0.84 -0.35 4.80 1.57 -1.03 -2.70 116.57 120.49 3f4r h LYS 212 Ca 0.24 -0.22 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3f4r h LYS 212 Cb -0.03 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 3f4r h LYS 212 CO -0.08 0.83 0.04 0.00 -0.57 0.00 0.00 179.45 179.67 3f4r h ALA 213 N 0.97 0.35 -0.54 3.86 0.00 -0.02 -1.85 119.26 122.04 3f4r h ALA 213 Ca 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3f4r h ALA 213 Cb 0.40 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3f4r h ALA 213 CO 0.01 -0.37 0.04 0.82 0.00 0.00 0.00 179.25 179.75 3f4r h ILE 214 N 0.14 1.26 -0.43 0.00 1.08 -0.94 0.26 117.51 118.87 3f4r h ILE 214 Ca 0.17 -1.05 0.02 0.00 -0.39 0.00 0.00 64.86 63.61 3f4r h ILE 214 Cb 0.21 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3f4r h ILE 214 CO -0.25 0.37 0.26 0.58 -0.69 0.00 0.00 178.15 178.42 3f4r h VAL 215 N 0.81 1.06 -0.61 1.67 2.07 -1.30 -1.22 116.25 118.73 3f4r h VAL 215 Ca 0.16 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3f4r h VAL 215 Cb 0.48 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3f4r h VAL 215 CO 0.02 0.10 0.30 0.50 0.02 0.00 0.00 177.57 178.51 3f4r h LYS 216 N 0.53 0.87 0.00 1.57 3.64 -1.00 -2.46 116.57 119.72 3f4r h LYS 216 Ca 0.17 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3f4r h LYS 216 Cb -0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3f4r h LYS 216 CO -0.07 0.69 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.51 3f4r h LEU 217 N 0.83 0.00 -1.05 5.20 3.38 -0.59 -3.51 115.31 119.56 3f4r h LEU 217 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3f4r h LEU 217 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3f4r h LEU 217 CO -0.03 0.22 0.00 -0.62 0.09 0.00 0.00 178.44 178.10