#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f62 s ALA 19 N 0.00 3.67 -1.28 4.61 0.00 -1.26 -4.91 121.76 122.58 3f62 s ALA 19 Ca 0.00 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 3f62 s ALA 19 Cb 0.00 -3.64 0.15 0.00 0.00 0.00 0.00 23.12 19.63 3f62 s ALA 19 CO 0.00 -0.96 2.22 -1.33 0.00 0.00 0.00 175.76 175.69 3f62 n MET 20 N 5.11 4.52 -4.07 0.00 0.00 -1.26 -4.88 117.12 116.54 3f62 n MET 20 Ca 0.14 -3.63 -0.08 0.00 0.00 0.00 0.00 57.70 54.13 3f62 n MET 20 Cb 0.41 -2.66 -0.09 0.00 0.00 0.00 0.00 33.22 30.88 3f62 n MET 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 3f62 s VAL 21 N -1.27 0.16 0.77 2.03 -7.23 -1.26 -5.15 120.40 108.45 3f62 s VAL 21 Ca 0.49 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.81 3f62 s VAL 21 Cb 0.17 -1.67 0.06 0.00 0.56 0.00 0.00 36.38 35.50 3f62 s VAL 21 CO -0.07 -0.75 1.15 -1.61 -0.31 0.00 0.00 175.10 173.51 3f62 s GLU 22 N -3.95 2.00 -0.25 4.82 2.02 -1.26 -5.03 118.70 117.05 3f62 s GLU 22 Ca 0.12 1.53 -0.11 0.00 0.02 0.00 0.00 54.97 56.54 3f62 s GLU 22 Cb 0.07 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 3f62 s GLU 22 CO -0.06 -1.89 0.17 0.99 0.02 0.00 0.00 175.26 174.49 3f62 s THR 23 N -2.38 5.35 -0.13 3.63 2.01 -1.26 -5.08 115.64 117.77 3f62 s THR 23 Ca 0.69 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.67 3f62 s THR 23 Cb -0.24 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3f62 s THR 23 CO 0.50 0.32 0.59 -0.54 -0.69 0.00 0.00 174.62 174.80 3f62 s LYS 24 N 1.21 4.32 -0.03 4.92 1.02 -1.26 -5.07 119.74 124.85 3f62 s LYS 24 Ca 0.08 0.63 0.07 0.00 0.02 0.00 0.00 55.97 56.76 3f62 s LYS 24 Cb -0.14 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 3f62 s LYS 24 CO 0.06 -0.01 -0.23 0.00 -0.92 0.00 0.00 175.35 174.25 3f62 n PRO 26 N 2.69 0.21 -3.80 0.00 -0.04 -1.26 -5.03 135.00 127.77 3f62 n PRO 26 Ca -0.16 0.09 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 3f62 n PRO 26 Cb 0.52 -1.66 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 3f62 n PRO 26 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3f62 n ASN 27 N -1.98 -2.07 -4.73 3.54 2.85 -1.24 -1.29 115.26 110.33 3f62 n ASN 27 Ca 0.04 -0.84 -0.42 0.00 -0.11 0.00 0.00 54.58 53.25 3f62 n ASN 27 Cb 0.41 -3.84 -0.02 0.00 1.24 0.00 0.00 39.78 37.57 3f62 n ASN 27 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3f62 n LEU 28 N -4.41 4.18 -3.95 1.20 4.77 -1.26 -4.72 117.00 112.82 3f62 n LEU 28 Ca -0.20 1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 56.81 3f62 n LEU 28 Cb 0.63 -1.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 3f62 n LEU 28 CO 0.72 0.08 -0.37 -0.62 -1.33 0.00 0.00 177.39 175.87 3f62 s ASP 29 N 0.54 0.26 -0.12 -1.43 2.15 -0.68 -5.00 116.67 112.39 3f62 s ASP 29 Ca 0.66 -0.30 0.01 0.00 0.43 0.00 0.00 52.55 53.35 3f62 s ASP 29 Cb -0.51 0.04 0.02 0.00 -0.30 0.00 0.00 42.92 42.17 3f62 s ASP 29 CO 0.47 -0.15 -0.14 -0.63 -0.17 0.00 0.00 175.17 174.54 3f62 s ILE 30 N -0.83 1.48 -0.00 4.11 1.01 -1.26 -1.62 121.20 124.09 3f62 s ILE 30 Ca -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 59.98 3f62 s ILE 30 Cb -0.06 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 3f62 s ILE 30 CO -0.00 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.65 3f62 s VAL 31 N 1.18 3.85 -0.03 2.92 1.01 0.54 -4.90 120.40 124.97 3f62 s VAL 31 Ca -0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3f62 s VAL 31 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3f62 s VAL 31 CO -0.05 0.39 0.04 0.42 0.00 0.00 0.00 175.10 175.91 3f62 s THR 32 N -1.03 4.51 0.36 3.92 -4.23 -1.26 0.43 115.64 118.35 3f62 s THR 32 Ca 0.18 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.36 3f62 s THR 32 Cb -0.11 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 3f62 s THR 32 CO 0.08 0.44 0.22 -0.94 -0.54 0.00 0.00 174.62 173.88 3f62 s SER 33 N -1.42 2.11 -0.24 3.99 1.04 -0.29 -4.98 113.70 113.92 3f62 s SER 33 Ca 0.19 -1.73 -0.36 0.00 0.48 0.00 0.00 55.95 54.52 3f62 s SER 33 Cb -0.12 0.55 -0.13 0.00 0.10 0.00 0.00 66.02 66.43 3f62 s SER 33 CO 0.09 -1.02 1.95 -0.24 0.98 0.00 0.00 173.24 175.00 3f62 n SER 34 N -1.45 2.68 0.00 7.02 2.88 -1.26 -1.13 113.62 122.35 3f62 n SER 34 Ca 0.02 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 3f62 n SER 34 Cb 0.63 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 3f62 n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3f62 n GLY 35 N 5.08 0.26 2.96 0.46 0.00 -1.26 -4.97 105.19 107.71 3f62 n GLY 35 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 3f62 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f62 s GLU 36 N -1.03 0.32 -0.16 1.61 2.02 -0.28 -0.53 118.70 120.65 3f62 s GLU 36 Ca 0.00 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 3f62 s GLU 36 Cb 0.00 -0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.01 3f62 s GLU 36 CO 0.00 0.04 -0.07 -0.06 0.02 0.00 0.00 175.26 175.20 3f62 s PHE 37 N -0.57 2.95 -0.31 1.61 0.08 0.34 -1.14 117.98 120.95 3f62 s PHE 37 Ca -0.04 -0.48 -0.06 0.00 0.12 0.00 0.00 56.93 56.48 3f62 s PHE 37 Cb -0.04 -1.94 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3f62 s PHE 37 CO -0.00 -0.15 0.07 -1.01 -0.10 0.00 0.00 175.22 174.03 3f62 s HIS 38 N 0.50 3.21 -0.04 0.36 3.76 0.17 -0.56 115.29 122.69 3f62 s HIS 38 Ca -0.05 -1.35 -0.09 0.00 -0.15 0.00 0.00 55.06 53.42 3f62 s HIS 38 Cb -0.15 -2.23 -0.05 0.00 1.11 0.00 0.00 32.58 31.26 3f62 s HIS 38 CO 0.03 -0.69 0.27 0.00 -0.85 0.00 0.00 174.74 173.50 3f62 s SER 40 N -1.28 0.19 -0.05 0.00 1.04 -0.64 -1.11 113.70 111.85 3f62 s SER 40 Ca 0.22 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 55.94 3f62 s SER 40 Cb -0.14 0.10 0.11 0.00 0.10 0.00 0.00 66.02 66.19 3f62 s SER 40 CO 0.11 -0.27 0.93 -0.83 0.98 0.00 0.00 173.24 174.17 3f62 s GLY 41 N -1.27 -0.42 0.26 7.32 0.00 -0.37 -1.68 107.32 111.16 3f62 s GLY 41 Ca -0.14 1.23 0.11 0.00 0.00 0.00 0.00 44.72 45.93 3f62 s GLY 41 CO -0.01 0.47 -0.17 0.00 0.00 0.00 0.00 173.10 173.39 3f62 s VAL 43 N -2.32 0.01 -0.06 0.00 0.11 0.89 -4.08 120.40 114.95 3f62 s VAL 43 Ca 0.29 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 3f62 s VAL 43 Cb -0.06 -0.08 -0.07 0.00 -1.53 0.00 0.00 36.38 34.65 3f62 s VAL 43 CO 0.15 -0.03 -0.00 1.21 -3.33 0.00 0.00 175.10 173.10 3f62 n GLU 44 N 2.96 2.31 -3.42 1.54 0.00 -1.26 -1.09 120.64 121.68 3f62 n GLU 44 Ca -0.13 0.01 -0.38 0.00 0.00 0.00 0.00 57.16 56.66 3f62 n GLU 44 Cb 0.59 -1.15 -0.08 0.00 0.00 0.00 0.00 31.44 30.80 3f62 n GLU 44 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3f62 s HIS 45 N -2.14 3.33 -1.30 4.31 2.46 -1.26 -4.35 115.29 116.34 3f62 s HIS 45 Ca -0.05 0.51 -0.14 0.00 0.47 0.00 0.00 55.06 55.85 3f62 s HIS 45 Cb 0.02 -2.51 0.01 0.00 -0.13 0.00 0.00 32.58 29.97 3f62 s HIS 45 CO 0.22 -0.06 0.54 -1.33 -2.47 0.00 0.00 174.74 171.64 3f62 n MET 46 N 4.69 -1.65 0.31 2.88 2.81 -1.26 -4.75 117.12 120.14 3f62 n MET 46 Ca -0.09 0.31 0.18 0.00 -1.81 0.00 0.00 57.70 56.28 3f62 n MET 46 Cb 0.51 -3.83 1.01 0.00 -0.71 0.00 0.00 33.22 30.20 3f62 n MET 46 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3f62 h PRO 47 N -2.03 0.00 0.00 0.03 0.13 -1.88 -1.91 132.00 126.33 3f62 h PRO 47 Ca -0.66 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.43 3f62 h PRO 47 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 3f62 h PRO 47 CO 0.57 0.01 -0.17 1.05 -0.23 0.00 0.00 178.00 179.22 3f62 h GLU 48 N 0.00 0.00 -3.59 0.86 9.09 -1.97 -3.19 114.58 115.79 3f62 h GLU 48 Ca -0.00 0.00 -0.78 0.00 0.05 0.00 0.00 59.36 58.63 3f62 h GLU 48 Cb 0.02 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 26.90 3f62 h GLU 48 CO 0.00 0.17 1.23 1.19 0.05 0.00 0.00 179.01 181.65 3f62 n PHE 49 N -4.10 3.58 -3.52 2.06 3.72 -0.72 -4.96 117.46 113.52 3f62 n PHE 49 Ca -0.02 -3.05 -0.14 0.00 -0.05 0.00 0.00 57.45 54.18 3f62 n PHE 49 Cb 0.25 -1.74 -0.05 0.00 -0.94 0.00 0.00 39.48 37.00 3f62 n PHE 49 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3f62 s SER 50 N 0.54 -0.53 0.18 4.37 1.04 -1.21 -3.63 113.70 114.47 3f62 s SER 50 Ca 0.36 0.26 -0.22 0.00 0.48 0.00 0.00 55.95 56.83 3f62 s SER 50 Cb 0.02 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.73 3f62 s SER 50 CO 0.02 -0.76 0.62 -0.72 0.98 0.00 0.00 173.24 173.38 3f62 s TYR 51 N -2.48 -0.46 -0.00 5.02 -0.85 -0.58 -5.00 117.35 113.00 3f62 s TYR 51 Ca -0.05 0.19 0.04 0.00 -0.52 0.00 0.00 57.07 56.73 3f62 s TYR 51 Cb -0.01 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.90 3f62 s TYR 51 CO -0.02 -0.93 -0.12 1.41 -1.52 0.00 0.00 175.55 174.38 3f62 s MET 52 N -3.79 0.95 0.15 -3.49 1.75 -1.26 -0.36 119.30 113.25 3f62 s MET 52 Ca 0.03 -0.48 -0.18 0.00 -1.25 0.00 0.00 55.69 53.81 3f62 s MET 52 Cb -0.02 -0.92 0.04 0.00 2.84 0.00 0.00 34.83 36.78 3f62 s MET 52 CO -0.09 0.25 0.48 1.52 -0.65 0.00 0.00 175.02 176.53 3f62 s TYR 53 N -0.39 -0.28 0.14 4.11 -0.85 -0.51 -4.85 117.35 114.73 3f62 s TYR 53 Ca 0.04 -0.01 0.04 0.00 -0.52 0.00 0.00 57.07 56.61 3f62 s TYR 53 Cb -0.05 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 3f62 s TYR 53 CO -0.00 -0.78 0.18 -1.58 -1.52 0.00 0.00 175.55 171.84 3f62 s TRP 54 N -3.80 3.27 0.13 -3.49 0.52 -1.26 -0.67 118.94 113.63 3f62 s TRP 54 Ca 0.04 0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.24 3f62 s TRP 54 Cb 0.01 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 3f62 s TRP 54 CO -0.11 0.52 -0.09 -0.51 0.02 0.00 0.00 176.95 176.79 3f62 s LEU 55 N -3.03 2.52 -0.05 2.99 1.43 0.27 -4.20 118.68 118.62 3f62 s LEU 55 Ca 0.32 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 3f62 s LEU 55 Cb -0.11 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 45.88 3f62 s LEU 55 CO 0.25 -0.38 0.22 0.00 0.23 0.00 0.00 176.35 176.68 3f62 s ALA 56 N -3.42 -0.55 -0.04 4.21 0.00 -0.79 -0.95 121.76 120.22 3f62 s ALA 56 Ca 0.15 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 3f62 s ALA 56 Cb 0.03 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3f62 s ALA 56 CO -0.01 -0.16 0.01 0.21 0.00 0.00 0.00 175.76 175.81 3f62 s LYS 57 N -0.53 0.30 -0.36 0.00 2.20 -0.03 -0.97 119.74 120.35 3f62 s LYS 57 Ca -0.06 0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 55.43 3f62 s LYS 57 Cb -0.04 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 3f62 s LYS 57 CO 0.01 -0.23 2.08 0.34 -0.36 0.00 0.00 175.35 177.20 3f62 s ASP 58 N 1.56 5.35 0.03 1.43 -1.08 -1.26 -0.04 116.67 122.66 3f62 s ASP 58 Ca -0.02 1.33 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 3f62 s ASP 58 Cb -0.13 -2.52 0.68 0.00 -1.46 0.00 0.00 42.92 39.49 3f62 s ASP 58 CO -0.03 -2.13 1.54 0.23 0.52 0.00 0.00 175.17 175.30 3f62 n MET 59 N 8.77 0.07 -0.02 4.34 2.81 -0.35 -2.07 117.12 130.66 3f62 n MET 59 Ca 0.28 0.03 0.13 0.00 -1.81 0.00 0.00 57.70 56.33 3f62 n MET 59 Cb 0.49 -1.55 0.55 0.00 -0.71 0.00 0.00 33.22 32.00 3f62 n MET 59 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3f62 n LYS 60 N -1.65 1.56 -4.07 0.03 4.81 -1.24 -4.94 118.16 112.67 3f62 n LYS 60 Ca 0.05 -0.83 -0.20 0.00 -0.87 0.00 0.00 58.31 56.47 3f62 n LYS 60 Cb 0.36 -1.46 -0.07 0.00 0.02 0.00 0.00 35.03 33.89 3f62 n LYS 60 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3f62 n SER 61 N 0.01 0.10 -1.69 3.14 3.41 -0.88 -5.02 113.62 112.69 3f62 n SER 61 Ca 0.19 -2.96 -0.09 0.00 -0.26 0.00 0.00 58.87 55.75 3f62 n SER 61 Cb 0.30 1.27 0.24 0.00 -0.26 0.00 0.00 64.21 65.76 3f62 n SER 61 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3f62 n ASP 62 N -1.73 3.76 -4.77 4.04 5.75 -1.26 -4.88 116.55 117.46 3f62 n ASP 62 Ca 0.02 -3.46 -0.36 0.00 -0.01 0.00 0.00 54.79 50.98 3f62 n ASP 62 Cb 0.55 -0.72 -0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3f62 n ASP 62 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3f62 s GLU 63 N -3.13 3.57 0.98 0.11 2.56 -1.26 -5.02 118.70 116.50 3f62 s GLU 63 Ca 0.51 1.69 -0.11 0.00 0.00 0.00 0.00 54.97 57.06 3f62 s GLU 63 Cb 0.43 -2.21 0.18 0.00 2.00 0.00 0.00 34.13 34.53 3f62 s GLU 63 CO 0.08 -0.69 1.09 -0.51 -0.56 0.00 0.00 175.26 174.67 3f62 s ASP 64 N -1.57 2.56 0.31 -1.70 1.01 -1.26 -4.68 116.67 111.34 3f62 s ASP 64 Ca 0.68 1.76 -0.29 0.00 0.71 0.00 0.00 52.55 55.40 3f62 s ASP 64 Cb -0.26 -2.37 -0.11 0.00 1.01 0.00 0.00 42.92 41.19 3f62 s ASP 64 CO 0.31 -3.25 1.54 -0.89 0.21 0.00 0.00 175.17 173.09 3f62 s THR 65 N -2.69 2.16 0.14 -1.27 2.01 -1.26 -4.72 115.64 110.01 3f62 s THR 65 Ca 0.66 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.87 3f62 s THR 65 Cb -0.22 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 3f62 s THR 65 CO 0.60 0.03 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.84 3f62 s LYS 66 N -0.88 1.16 0.56 4.92 1.02 -0.14 -4.95 119.74 121.43 3f62 s LYS 66 Ca 0.60 -1.31 -0.18 0.00 0.02 0.00 0.00 55.97 55.09 3f62 s LYS 66 Cb -0.46 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 3f62 s LYS 66 CO 0.51 0.24 1.11 -0.06 -0.92 0.00 0.00 175.35 176.23 3f62 s PHE 67 N -1.96 2.71 0.37 3.18 0.08 -1.26 -1.88 117.98 119.22 3f62 s PHE 67 Ca 0.12 1.55 0.07 0.00 0.12 0.00 0.00 56.93 58.79 3f62 s PHE 67 Cb -0.06 -3.23 0.79 0.00 -0.57 0.00 0.00 43.02 39.95 3f62 s PHE 67 CO 0.05 -1.49 1.95 0.82 -0.10 0.00 0.00 175.22 176.45 3f62 h ILE 68 N 0.98 0.98 0.00 0.64 1.08 -1.95 -1.19 117.51 118.05 3f62 h ILE 68 Ca -0.49 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3f62 h ILE 68 Cb 1.25 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3f62 h ILE 68 CO 0.57 0.13 0.00 -1.84 -0.69 0.00 0.00 178.15 176.31 3f62 n GLU 69 N -4.49 0.20 -0.37 2.37 0.00 -1.26 -2.42 120.64 114.66 3f62 n GLU 69 Ca 0.11 0.15 0.08 0.00 0.00 0.00 0.00 57.16 57.51 3f62 n GLU 69 Cb 0.28 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.45 3f62 n GLU 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3f62 n HIS 70 N -1.32 0.77 1.01 -1.84 8.25 -0.45 -4.47 115.22 117.17 3f62 n HIS 70 Ca 0.07 -0.86 0.11 0.00 -0.26 0.00 0.00 57.72 56.78 3f62 n HIS 70 Cb 0.14 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 3f62 n HIS 70 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3f62 n LEU 71 N -0.57 1.72 0.00 2.41 4.77 -1.02 -4.95 117.00 119.37 3f62 n LEU 71 Ca 0.20 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3f62 n LEU 71 Cb 0.82 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3f62 n LEU 71 CO 0.13 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3f62 n GLY 72 N 1.44 -0.85 3.78 -0.72 0.00 -1.26 -4.92 105.19 102.65 3f62 n GLY 72 Ca 0.08 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3f62 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f62 s ASP 73 N -4.00 5.05 0.00 1.61 1.01 -1.26 -4.24 116.67 114.83 3f62 s ASP 73 Ca 0.00 1.91 0.00 0.00 0.71 0.00 0.00 52.55 55.17 3f62 s ASP 73 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3f62 s ASP 73 CO 0.00 -1.67 0.00 0.61 0.21 0.00 0.00 175.17 174.32 3f62 n GLY 74 N -0.83 0.73 3.38 0.21 0.00 -1.26 -4.92 105.19 102.50 3f62 n GLY 74 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3f62 n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f62 s ILE 75 N -2.00 0.01 -0.05 -0.61 2.07 -1.26 -0.53 121.20 118.83 3f62 s ILE 75 Ca 0.00 -0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 58.83 3f62 s ILE 75 Cb 0.00 -0.73 0.09 0.00 0.13 0.00 0.00 42.46 41.95 3f62 s ILE 75 CO 0.00 -0.06 0.78 0.54 -1.91 0.00 0.00 174.94 174.29 3f62 s ASN 76 N -0.37 -0.54 -0.05 4.50 4.22 -0.42 -4.95 114.94 117.33 3f62 s ASN 76 Ca -0.05 0.48 0.01 0.00 -2.14 0.00 0.00 52.86 51.16 3f62 s ASN 76 Cb -0.03 0.47 -0.03 0.00 1.28 0.00 0.00 41.25 42.93 3f62 s ASN 76 CO 0.03 -0.58 -0.07 -1.83 -2.04 0.00 0.00 177.10 172.61 3f62 s GLU 77 N -1.65 2.69 0.62 3.55 -1.05 -1.26 0.09 118.70 121.69 3f62 s GLU 77 Ca -0.05 -0.59 -0.09 0.00 -0.15 0.00 0.00 54.97 54.09 3f62 s GLU 77 Cb -0.00 -2.56 -0.01 0.00 -0.44 0.00 0.00 34.13 31.12 3f62 s GLU 77 CO 0.03 0.65 0.98 -0.51 0.95 0.00 0.00 175.26 177.36 3f62 s ASP 78 N -0.94 5.77 0.47 0.83 1.01 -0.32 -4.99 116.67 118.50 3f62 s ASP 78 Ca 0.13 1.03 -0.24 0.00 0.71 0.00 0.00 52.55 54.18 3f62 s ASP 78 Cb -0.11 -2.01 -0.07 0.00 1.01 0.00 0.00 42.92 41.73 3f62 s ASP 78 CO 0.03 -1.05 1.41 -1.61 0.21 0.00 0.00 175.17 174.16 3f62 s GLU 79 N -5.12 3.58 0.51 8.23 0.41 -1.26 -4.55 118.70 120.50 3f62 s GLU 79 Ca 0.55 2.36 -0.23 0.00 -0.41 0.00 0.00 54.97 57.24 3f62 s GLU 79 Cb -0.11 -2.57 -0.06 0.00 -1.78 0.00 0.00 34.13 29.61 3f62 s GLU 79 CO 0.49 -0.89 1.40 0.99 -0.49 0.00 0.00 175.26 176.76 3f62 s THR 80 N -1.23 2.03 -0.18 3.63 2.01 -1.26 -4.72 115.64 115.91 3f62 s THR 80 Ca 0.63 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.60 3f62 s THR 80 Cb -0.43 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3f62 s THR 80 CO 0.54 0.00 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.78 3f62 s VAL 81 N -1.25 4.05 -0.22 3.82 1.01 0.53 -4.95 120.40 123.39 3f62 s VAL 81 Ca 0.67 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 3f62 s VAL 81 Cb -0.42 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3f62 s VAL 81 CO 0.52 0.45 -0.01 -0.60 0.00 0.00 0.00 175.10 175.46 3f62 s ARG 82 N 0.72 3.49 0.13 2.72 3.52 -1.26 -1.30 118.95 126.97 3f62 s ARG 82 Ca -0.00 -0.57 0.05 0.00 -0.13 0.00 0.00 55.73 55.08 3f62 s ARG 82 Cb -0.14 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 3f62 s ARG 82 CO 0.02 -0.13 -0.12 0.95 -0.81 0.00 0.00 175.30 175.21 3f62 s THR 83 N 1.34 1.21 -0.01 4.11 -4.23 -0.66 -4.99 115.64 112.40 3f62 s THR 83 Ca 0.04 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3f62 s THR 83 Cb -0.14 -1.58 -0.01 0.00 1.34 0.00 0.00 72.50 72.10 3f62 s THR 83 CO -0.00 -0.54 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.53 3f62 s THR 84 N -2.53 0.98 -0.18 3.99 2.01 -1.26 -0.03 115.64 118.62 3f62 s THR 84 Ca 0.10 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 61.44 3f62 s THR 84 Cb -0.02 -0.82 0.05 0.00 0.01 0.00 0.00 72.50 71.71 3f62 s THR 84 CO 0.02 0.28 0.47 -0.62 -0.69 0.00 0.00 174.62 174.08 3f62 s ASP 85 N -0.22 -0.52 -1.41 3.53 2.15 0.22 -4.93 116.67 115.50 3f62 s ASP 85 Ca 0.03 0.96 -0.03 0.00 0.43 0.00 0.00 52.55 53.94 3f62 s ASP 85 Cb -0.06 0.94 0.02 0.00 -0.30 0.00 0.00 42.92 43.52 3f62 s ASP 85 CO -0.00 -0.17 0.28 0.61 -0.17 0.00 0.00 175.17 175.71 3f62 n GLY 86 N 3.19 -0.50 1.85 2.66 0.00 -1.26 -1.30 105.19 109.83 3f62 n GLY 86 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3f62 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f62 n GLY 87 N -1.14 0.71 3.25 -0.02 0.00 -1.26 -5.03 105.19 101.70 3f62 n GLY 87 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3f62 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f62 s ILE 88 N -2.56 2.24 -0.06 -0.61 -1.09 -0.42 -4.82 121.20 113.88 3f62 s ILE 88 Ca 0.00 -0.96 -0.17 0.00 -2.23 0.00 0.00 60.65 57.30 3f62 s ILE 88 Cb 0.00 -1.87 -0.05 0.00 -1.58 0.00 0.00 42.46 38.96 3f62 s ILE 88 CO 0.00 0.55 0.46 -0.89 -1.23 0.00 0.00 174.94 173.83 3f62 s THR 89 N 0.35 5.08 -0.10 2.92 2.01 -0.25 -0.61 115.64 125.04 3f62 s THR 89 Ca -0.17 0.93 -0.00 0.00 0.31 0.00 0.00 61.69 62.75 3f62 s THR 89 Cb -0.18 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 3f62 s THR 89 CO 0.08 0.45 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.49 3f62 s THR 90 N -0.19 3.54 -0.12 -0.82 2.01 0.96 -0.08 115.64 120.94 3f62 s THR 90 Ca 0.25 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 3f62 s THR 90 Cb -0.16 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 3f62 s THR 90 CO 0.12 0.56 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.80 3f62 s LEU 91 N -0.30 3.20 -0.00 4.42 1.43 0.87 -1.66 118.68 126.63 3f62 s LEU 91 Ca 0.04 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 3f62 s LEU 91 Cb -0.13 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3f62 s LEU 91 CO 0.02 0.26 -0.12 -0.13 0.23 0.00 0.00 176.35 176.61 3f62 s ARG 92 N -0.17 0.94 -0.14 1.70 0.52 -0.42 -1.23 118.95 120.16 3f62 s ARG 92 Ca 0.03 -0.46 -0.06 0.00 -0.52 0.00 0.00 55.73 54.72 3f62 s ARG 92 Cb -0.13 -0.91 0.06 0.00 0.52 0.00 0.00 34.95 34.49 3f62 s ARG 92 CO 0.03 0.25 0.30 0.21 0.02 0.00 0.00 175.30 176.10 3f62 s LYS 93 N -0.38 0.22 -0.16 3.54 2.20 -0.27 -0.35 119.74 124.55 3f62 s LYS 93 Ca 0.04 0.72 -0.14 0.00 -0.36 0.00 0.00 55.97 56.23 3f62 s LYS 93 Cb -0.05 -0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.21 3f62 s LYS 93 CO -0.00 -0.22 0.29 0.08 -0.36 0.00 0.00 175.35 175.13 3f62 s VAL 94 N 1.91 5.31 -0.21 4.02 1.01 -1.26 -1.38 120.40 129.79 3f62 s VAL 94 Ca -0.04 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3f62 s VAL 94 Cb -0.11 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3f62 s VAL 94 CO -0.10 0.39 -0.02 -0.22 0.00 0.00 0.00 175.10 175.15 3f62 s LEU 95 N 0.48 3.07 -0.31 3.92 2.96 0.28 -1.17 118.68 127.91 3f62 s LEU 95 Ca 0.16 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.62 3f62 s LEU 95 Cb -0.13 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3f62 s LEU 95 CO 0.04 0.02 0.36 -1.00 -1.32 0.00 0.00 176.35 174.45 3f62 s HIS 96 N 1.25 3.22 -0.40 5.38 3.76 0.11 -0.50 115.29 128.11 3f62 s HIS 96 Ca 0.03 0.16 -0.06 0.00 -0.15 0.00 0.00 55.06 55.05 3f62 s HIS 96 Cb -0.14 -2.62 0.09 0.00 1.11 0.00 0.00 32.58 31.01 3f62 s HIS 96 CO -0.00 -0.34 0.21 0.08 -0.85 0.00 0.00 174.74 173.84 3f62 s VAL 97 N 2.04 3.67 -0.13 -0.90 1.01 0.31 -1.30 120.40 125.10 3f62 s VAL 97 Ca 0.13 -1.70 0.17 0.00 0.00 0.00 0.00 61.98 60.58 3f62 s VAL 97 Cb -0.16 -3.35 -0.23 0.00 0.00 0.00 0.00 36.38 32.64 3f62 s VAL 97 CO 0.11 -0.55 0.42 0.35 0.00 0.00 0.00 175.10 175.43 3f62 n THR 98 N 4.74 1.23 -3.45 3.92 -2.24 0.31 -4.50 114.28 114.30 3f62 n THR 98 Ca -0.07 -0.77 -0.43 0.00 -2.27 0.00 0.00 64.05 60.52 3f62 n THR 98 Cb 0.42 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 3f62 n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3f62 s ASP 99 N -5.58 6.65 0.34 3.42 -1.08 -0.51 -4.89 116.67 115.02 3f62 s ASP 99 Ca -0.07 -3.31 0.16 0.00 -0.52 0.00 0.00 52.55 48.81 3f62 s ASP 99 Cb 0.08 -2.10 0.55 0.00 -1.46 0.00 0.00 42.92 39.99 3f62 s ASP 99 CO 0.83 -0.35 1.68 0.71 0.52 0.00 0.00 175.17 178.57 3f62 h THR 100 N 4.22 1.02 -0.09 1.71 1.35 -1.87 -2.73 112.91 116.53 3f62 h THR 100 Ca 0.13 -1.74 0.03 0.00 -0.55 0.00 0.00 66.41 64.29 3f62 h THR 100 Cb 0.91 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 69.33 3f62 h THR 100 CO 0.87 0.44 -0.10 -1.13 -0.25 0.00 0.00 175.52 175.35 3f62 h ASN 101 N 0.00 -0.31 -0.80 5.36 -0.73 -1.98 -2.43 115.58 114.68 3f62 h ASN 101 Ca -0.00 0.06 0.07 0.00 1.87 0.00 0.00 56.30 58.30 3f62 h ASN 101 Cb 0.99 0.15 -0.05 0.00 0.27 0.00 0.00 38.32 39.68 3f62 h ASN 101 CO 0.06 -0.14 0.53 0.50 -0.37 0.00 0.00 177.43 178.00 3f62 h LYS 102 N -0.13 0.83 -0.36 6.67 3.64 -1.91 -2.99 116.57 122.31 3f62 h LYS 102 Ca 0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3f62 h LYS 102 Cb 0.23 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3f62 h LYS 102 CO -0.17 0.55 0.01 1.19 -2.27 0.00 0.00 179.45 178.76 3f62 n PHE 103 N -4.49 1.30 0.21 1.91 3.72 -1.15 -4.61 117.46 114.35 3f62 n PHE 103 Ca 0.12 -0.90 0.06 0.00 -0.05 0.00 0.00 57.45 56.69 3f62 n PHE 103 Cb 0.23 -0.39 0.56 0.00 -0.94 0.00 0.00 39.48 38.94 3f62 n PHE 103 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3f62 h ALA 104 N 2.32 1.84 -0.33 4.37 0.00 -1.28 -2.34 119.26 123.84 3f62 h ALA 104 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3f62 h ALA 104 Cb 1.64 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3f62 h ALA 104 CO 0.32 0.12 0.02 0.72 0.00 0.00 0.00 179.25 180.43 3f62 n HIS 105 N -4.45 1.16 -3.63 0.00 8.25 -1.26 -4.73 115.22 110.55 3f62 n HIS 105 Ca -0.02 -1.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.07 3f62 n HIS 105 Cb 0.14 -0.38 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 3f62 n HIS 105 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3f62 s TYR 106 N -2.90 3.64 -0.22 4.41 1.51 -0.88 -1.22 117.35 121.69 3f62 s TYR 106 Ca 0.44 0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 3f62 s TYR 106 Cb 0.36 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 3f62 s TYR 106 CO 0.08 0.60 0.38 0.50 -1.11 0.00 0.00 175.55 176.01 3f62 s ARG 107 N -0.79 4.13 -0.08 -0.62 3.52 0.94 -4.53 118.95 121.52 3f62 s ARG 107 Ca 0.20 0.13 -0.05 0.00 -0.13 0.00 0.00 55.73 55.88 3f62 s ARG 107 Cb -0.15 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 3f62 s ARG 107 CO 0.09 -0.10 0.14 -0.06 -0.81 0.00 0.00 175.30 174.56 3f62 s PHE 108 N 1.51 3.54 -0.06 5.12 0.08 -0.15 -0.85 117.98 127.17 3f62 s PHE 108 Ca 0.17 0.44 0.01 0.00 0.12 0.00 0.00 56.93 57.67 3f62 s PHE 108 Cb -0.15 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 3f62 s PHE 108 CO 0.08 0.69 -0.06 0.99 -0.10 0.00 0.00 175.22 176.82 3f62 s THR 109 N -1.12 0.72 -0.10 0.64 2.01 -0.12 0.34 115.64 118.01 3f62 s THR 109 Ca 0.19 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 3f62 s THR 109 Cb -0.12 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3f62 s THR 109 CO 0.09 0.28 0.38 0.00 -0.69 0.00 0.00 174.62 174.68 3f62 s VAL 111 N 0.06 2.07 -0.18 0.00 1.01 0.15 -1.33 120.40 122.18 3f62 s VAL 111 Ca 0.22 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3f62 s VAL 111 Cb -0.15 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.48 3f62 s VAL 111 CO 0.09 0.56 -0.19 -0.22 0.00 0.00 0.00 175.10 175.34 3f62 s LEU 112 N 0.21 2.17 -0.12 3.92 2.96 0.32 -1.43 118.68 126.70 3f62 s LEU 112 Ca -0.15 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 3f62 s LEU 112 Cb -0.17 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3f62 s LEU 112 CO 0.08 0.00 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.16 3f62 s THR 113 N 1.27 3.76 0.34 3.68 2.01 0.52 -1.32 115.64 125.89 3f62 s THR 113 Ca 0.04 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.68 3f62 s THR 113 Cb -0.13 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 3f62 s THR 113 CO -0.12 0.53 0.20 0.35 -0.69 0.00 0.00 174.62 174.89 3f62 n THR 114 N 3.11 0.00 0.61 -0.82 -2.24 -0.14 -1.53 114.28 113.26 3f62 n THR 114 Ca -0.18 -2.21 0.08 0.00 -2.27 0.00 0.00 64.05 59.47 3f62 n THR 114 Cb 0.53 0.96 0.36 0.00 -2.10 0.00 0.00 70.33 70.08 3f62 n THR 114 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3f62 n LEU 115 N 0.00 0.00 -0.00 3.22 4.77 -1.24 -2.75 117.00 121.00 3f62 n LEU 115 Ca 0.01 0.45 0.10 0.00 -0.03 0.00 0.00 56.01 56.54 3f62 n LEU 115 Cb 0.56 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 3f62 n LEU 115 CO 0.29 -0.20 -0.31 0.47 -1.33 0.00 0.00 177.39 176.31 3f62 n ASP 116 N -1.45 0.62 0.00 -1.43 9.92 -1.26 -5.08 116.55 117.88 3f62 n ASP 116 Ca 0.05 -0.61 0.00 0.00 -0.53 0.00 0.00 54.79 53.70 3f62 n ASP 116 Cb 0.17 1.36 0.00 0.00 -0.64 0.00 0.00 41.12 42.01 3f62 n ASP 116 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f62 n GLY 117 N 1.41 0.81 3.26 0.44 0.00 -1.11 -5.12 105.19 104.88 3f62 n GLY 117 Ca 0.01 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 3f62 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f62 s VAL 118 N -3.21 1.69 -0.02 1.61 0.11 -1.26 -0.97 120.40 118.36 3f62 s VAL 118 Ca 0.00 -1.20 0.05 0.00 -2.93 0.00 0.00 61.98 57.90 3f62 s VAL 118 Cb 0.00 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 3f62 s VAL 118 CO 0.00 0.23 -0.16 -0.44 -3.33 0.00 0.00 175.10 171.39 3f62 s SER 119 N -1.15 1.93 0.04 3.54 0.01 -0.44 -5.01 113.70 112.62 3f62 s SER 119 Ca 0.08 -0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.06 3f62 s SER 119 Cb -0.09 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 3f62 s SER 119 CO 0.02 0.19 -0.08 -0.54 0.41 0.00 0.00 173.24 173.23 3f62 s LYS 120 N -0.31 0.56 -0.02 12.44 1.02 -1.26 -0.52 119.74 131.65 3f62 s LYS 120 Ca 0.05 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.29 3f62 s LYS 120 Cb -0.07 -0.36 0.02 0.00 -0.52 0.00 0.00 37.83 36.90 3f62 s LYS 120 CO -0.00 0.07 0.02 0.21 -0.92 0.00 0.00 175.35 174.72 3f62 s LYS 121 N -1.52 0.03 0.23 1.68 2.47 -0.44 -4.97 119.74 117.22 3f62 s LYS 121 Ca -0.08 0.12 -0.06 0.00 -1.56 0.00 0.00 55.97 54.38 3f62 s LYS 121 Cb -0.10 -0.24 -0.06 0.00 -1.46 0.00 0.00 37.83 35.98 3f62 s LYS 121 CO 0.01 -0.12 0.50 -0.80 0.16 0.00 0.00 175.35 175.10 3f62 s ASN 122 N 0.80 6.51 0.04 1.43 0.02 -1.26 -0.78 114.94 121.70 3f62 s ASN 122 Ca -0.07 0.74 -0.13 0.00 -1.02 0.00 0.00 52.86 52.38 3f62 s ASN 122 Cb -0.10 -2.15 0.02 0.00 0.02 0.00 0.00 41.25 39.04 3f62 s ASN 122 CO -0.02 -0.09 0.28 -0.51 0.02 0.00 0.00 177.10 176.78 3f62 s ILE 123 N -1.88 0.09 0.16 0.60 2.07 0.15 -4.97 121.20 117.42 3f62 s ILE 123 Ca 0.44 -0.74 0.08 0.00 -1.41 0.00 0.00 60.65 59.02 3f62 s ILE 123 Cb -0.11 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 3f62 s ILE 123 CO 0.26 -0.41 -0.16 0.26 -1.91 0.00 0.00 174.94 172.98 3f62 s TRP 124 N -2.56 1.67 -2.00 3.50 0.52 -1.26 -0.98 118.94 117.83 3f62 s TRP 124 Ca -0.05 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 55.56 3f62 s TRP 124 Cb -0.01 -0.83 0.10 0.00 -1.15 0.00 0.00 33.47 31.58 3f62 s TRP 124 CO -0.04 0.28 0.59 1.28 0.02 0.00 0.00 176.95 179.08