#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh s ILE 2 N 0.00 3.27 -0.07 0.53 1.09 -1.26 -5.04 121.20 119.72 3cxh s ILE 2 Ca 0.00 1.22 0.05 0.00 -1.10 0.00 0.00 60.65 60.82 3cxh s ILE 2 Cb 0.00 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.61 3cxh s ILE 2 CO 0.00 0.27 -0.24 -1.83 -0.10 0.00 0.00 174.94 173.04 3cxh s GLU 3 N -1.26 2.72 0.08 2.79 -1.05 -1.26 -4.72 118.70 116.00 3cxh s GLU 3 Ca 0.48 -0.88 0.04 0.00 -0.15 0.00 0.00 54.97 54.46 3cxh s GLU 3 Cb -0.35 -2.24 -0.04 0.00 -0.44 0.00 0.00 34.13 31.07 3cxh s GLU 3 CO 0.43 0.33 0.03 -0.51 0.95 0.00 0.00 175.26 176.50 3cxh s LEU 4 N -0.04 3.61 -0.18 1.83 1.02 -1.26 -2.64 118.68 121.02 3cxh s LEU 4 Ca -0.07 -0.09 -0.05 0.00 0.02 0.00 0.00 54.13 53.94 3cxh s LEU 4 Cb -0.15 -2.30 0.06 0.00 0.02 0.00 0.00 46.19 43.83 3cxh s LEU 4 CO 0.05 0.18 0.08 -0.89 0.02 0.00 0.00 176.35 175.80 3cxh s THR 5 N -1.32 -0.00 0.69 5.49 2.01 -0.57 -4.35 115.64 117.60 3cxh s THR 5 Ca 0.27 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 3cxh s THR 5 Cb -0.12 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.74 3cxh s THR 5 CO 0.19 -0.30 1.07 -1.10 -0.69 0.00 0.00 174.62 173.80 3cxh s GLN 6 N 2.10 2.96 -0.28 4.92 -0.21 -1.26 -3.13 119.66 124.76 3cxh s GLN 6 Ca 0.02 0.64 -0.22 0.00 0.02 0.00 0.00 55.36 55.82 3cxh s GLN 6 Cb -0.16 -2.02 0.09 0.00 1.00 0.00 0.00 33.01 31.93 3cxh s GLN 6 CO -0.10 -1.00 0.82 -0.08 -2.12 0.00 0.00 175.29 172.80 3cxh s THR 7 N -3.23 0.00 -0.31 -0.19 -1.32 -0.02 -4.04 115.64 106.53 3cxh s THR 7 Ca 0.58 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.79 3cxh s THR 7 Cb -0.12 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 3cxh s THR 7 CO 0.53 0.00 0.96 -2.16 -2.21 0.00 0.00 174.62 171.74 3cxh s PRO 8 N 0.80 4.03 -0.43 7.08 0.04 -1.26 -1.22 135.00 144.03 3cxh s PRO 8 Ca -0.03 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 3cxh s PRO 8 Cb -0.05 -3.73 -0.10 0.00 0.04 0.00 0.00 34.50 30.66 3cxh s PRO 8 CO -0.08 -0.81 2.33 0.28 0.04 0.00 0.00 177.00 178.76 3cxh n VAL 9 N 5.72 0.12 -2.00 -0.36 0.31 -1.26 -3.70 118.33 117.16 3cxh n VAL 9 Ca 0.09 -0.46 -0.02 0.00 -0.01 0.00 0.00 64.34 63.94 3cxh n VAL 9 Cb 0.47 -2.12 -0.01 0.00 -0.91 0.00 0.00 33.84 31.27 3cxh n VAL 9 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3cxh n SER 10 N 12.34 -2.34 -4.55 4.52 7.64 -1.26 -4.93 113.62 125.04 3cxh n SER 10 Ca 0.40 0.60 -0.31 0.00 1.01 0.00 0.00 58.87 60.57 3cxh n SER 10 Cb 0.36 -2.88 -0.08 0.00 -1.01 0.00 0.00 64.21 60.60 3cxh n SER 10 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3cxh s LEU 11 N -0.43 2.20 0.05 -3.43 2.96 -0.60 -4.88 118.68 114.55 3cxh s LEU 11 Ca -0.09 -1.66 -0.12 0.00 -0.22 0.00 0.00 54.13 52.04 3cxh s LEU 11 Cb 0.01 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.18 3cxh s LEU 11 CO 0.35 -0.88 0.26 0.00 -1.32 0.00 0.00 176.35 174.76 3cxh s ALA 12 N -2.98 -0.53 0.04 5.97 0.00 -1.26 -3.00 121.76 120.00 3cxh s ALA 12 Ca 0.11 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.63 3cxh s ALA 12 Cb 0.02 0.34 0.09 0.00 0.00 0.00 0.00 23.12 23.57 3cxh s ALA 12 CO 0.07 -0.42 1.00 0.00 0.00 0.00 0.00 175.76 176.42 3cxh s ALA 13 N -2.75 -1.84 0.41 0.00 0.00 -0.72 -4.96 121.76 111.90 3cxh s ALA 13 Ca -0.04 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 3cxh s ALA 13 Cb -0.00 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3cxh s ALA 13 CO -0.05 -0.87 0.72 -1.12 0.00 0.00 0.00 175.76 174.44 3cxh s SER 14 N -2.71 6.38 -0.58 0.00 0.01 -1.26 -3.21 113.70 112.33 3cxh s SER 14 Ca 0.10 0.91 -0.26 0.00 1.31 0.00 0.00 55.95 58.01 3cxh s SER 14 Cb -0.00 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 3cxh s SER 14 CO -0.03 -0.43 2.07 -0.76 0.41 0.00 0.00 173.24 174.49 3cxh s LEU 15 N -4.22 3.32 0.00 2.44 1.02 -1.26 -3.41 118.68 116.56 3cxh s LEU 15 Ca 0.47 0.56 0.00 0.00 0.02 0.00 0.00 54.13 55.18 3cxh s LEU 15 Cb -0.10 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.59 3cxh s LEU 15 CO 0.37 -2.60 0.00 0.61 0.02 0.00 0.00 176.35 174.75 3cxh n GLY 16 N 5.87 2.44 3.77 -3.19 0.00 -1.26 -4.86 105.19 107.96 3cxh n GLY 16 Ca 0.27 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3cxh n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3cxh s ASP 17 N 0.00 5.57 -0.57 1.61 1.47 -1.22 -4.16 116.67 119.37 3cxh s ASP 17 Ca 0.00 2.12 -0.24 0.00 1.18 0.00 0.00 52.55 55.61 3cxh s ASP 17 Cb 0.00 -2.57 0.04 0.00 -0.34 0.00 0.00 42.92 40.05 3cxh s ASP 17 CO 0.00 -1.32 0.96 0.00 0.68 0.00 0.00 175.17 175.49 3cxh s ARG 18 N -3.51 3.31 0.39 2.11 1.04 -1.24 -4.25 118.95 116.80 3cxh s ARG 18 Ca 0.71 -0.30 -0.14 0.00 -1.04 0.00 0.00 55.73 54.96 3cxh s ARG 18 Cb -0.23 -4.07 -0.08 0.00 -2.04 0.00 0.00 34.95 28.53 3cxh s ARG 18 CO 0.31 -1.54 0.79 0.54 -0.04 0.00 0.00 175.30 175.36 3cxh s VAL 19 N 4.03 4.68 -0.27 4.99 0.11 -1.26 -4.88 120.40 127.81 3cxh s VAL 19 Ca 0.30 0.88 -0.04 0.00 -2.93 0.00 0.00 61.98 60.20 3cxh s VAL 19 Cb -0.13 -3.67 0.10 0.00 -1.53 0.00 0.00 36.38 31.15 3cxh s VAL 19 CO 0.18 -0.39 0.15 -0.89 -3.33 0.00 0.00 175.10 170.82 3cxh s THR 20 N -2.23 -0.13 0.75 5.04 2.01 -1.26 -2.39 115.64 117.44 3cxh s THR 20 Ca 0.54 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 3cxh s THR 20 Cb -0.10 -0.90 0.09 0.00 0.01 0.00 0.00 72.50 71.60 3cxh s THR 20 CO 0.24 -0.60 1.07 -0.63 -0.69 0.00 0.00 174.62 174.01 3cxh s ILE 21 N 2.15 2.20 -0.23 1.82 1.01 -1.16 -4.77 121.20 122.23 3cxh s ILE 21 Ca 0.08 -0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 3cxh s ILE 21 Cb -0.16 -2.95 0.10 0.00 0.01 0.00 0.00 42.46 39.46 3cxh s ILE 21 CO -0.31 0.00 0.87 -0.94 0.00 0.00 0.00 174.94 174.56 3cxh s SER 22 N -4.60 -0.57 0.45 3.58 1.04 -0.36 -2.47 113.70 110.77 3cxh s SER 22 Ca 0.63 0.98 0.07 0.00 0.48 0.00 0.00 55.95 58.10 3cxh s SER 22 Cb -0.09 0.95 -0.02 0.00 0.10 0.00 0.00 66.02 66.96 3cxh s SER 22 CO 0.46 -0.28 0.30 0.00 0.98 0.00 0.00 173.24 174.70 3cxh s ARG 24 N -4.08 0.67 0.33 0.00 3.52 -1.18 -2.84 118.95 115.37 3cxh s ARG 24 Ca 0.41 1.00 0.09 0.00 -0.13 0.00 0.00 55.73 57.10 3cxh s ARG 24 Cb -0.00 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 3cxh s ARG 24 CO 0.23 -0.11 0.01 0.00 -0.81 0.00 0.00 175.30 174.62 3cxh s ALA 25 N 1.06 3.21 -0.04 6.12 0.00 -1.18 -1.50 121.76 129.43 3cxh s ALA 25 Ca -0.05 -1.91 -0.22 0.00 0.00 0.00 0.00 51.96 49.78 3cxh s ALA 25 Cb -0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 23.12 22.46 3cxh s ALA 25 CO -0.11 0.10 0.96 0.66 0.00 0.00 0.00 175.76 177.37 3cxh h SER 26 N 1.81 -0.21 -2.43 0.00 4.64 -1.89 -3.46 113.55 112.01 3cxh h SER 26 Ca -0.43 -0.32 -0.46 0.00 -0.47 0.00 0.00 61.79 60.10 3cxh h SER 26 Cb 1.25 0.05 0.10 0.00 -0.31 0.00 0.00 62.40 63.49 3cxh h SER 26 CO 0.65 0.30 0.16 -1.10 -0.87 0.00 0.00 176.83 175.97 3cxh s GLN 27 N -3.71 1.51 -0.37 4.77 -0.21 -1.26 -5.06 119.66 115.33 3cxh s GLN 27 Ca -0.13 -1.01 -0.16 0.00 0.02 0.00 0.00 55.36 54.08 3cxh s GLN 27 Cb 0.01 -2.25 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 3cxh s GLN 27 CO 0.50 -1.61 0.41 0.34 -2.12 0.00 0.00 175.29 172.82 3cxh s ASP 28 N -4.76 6.21 -0.16 5.90 -1.08 -1.26 -4.80 116.67 116.71 3cxh s ASP 28 Ca 0.68 -0.31 -0.07 0.00 -0.52 0.00 0.00 52.55 52.32 3cxh s ASP 28 Cb -0.05 -2.22 -0.04 0.00 -1.46 0.00 0.00 42.92 39.15 3cxh s ASP 28 CO 0.46 -0.44 0.08 0.27 0.52 0.00 0.00 175.17 176.06 3cxh s ILE 29 N 2.13 4.98 0.00 4.11 -4.36 -0.43 -5.03 121.20 122.60 3cxh s ILE 29 Ca 0.13 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.55 3cxh s ILE 29 Cb -0.16 -3.22 0.00 0.00 1.25 0.00 0.00 42.46 40.33 3cxh s ILE 29 CO 0.13 0.51 0.65 0.59 0.24 0.00 0.00 174.94 177.05 3cxh n ASN 30 N 3.05 0.00 -0.18 4.36 4.13 -1.26 -3.67 115.26 121.69 3cxh n ASN 30 Ca -0.17 0.65 0.00 0.00 1.68 0.00 0.00 54.58 56.74 3cxh n ASN 30 Cb 0.53 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 3cxh n ASN 30 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3cxh n ASN 31 N -1.40 0.00 -3.57 6.41 4.13 -1.26 -3.16 115.26 116.40 3cxh n ASN 31 Ca 0.00 -1.03 -0.40 0.00 1.68 0.00 0.00 54.58 54.83 3cxh n ASN 31 Cb 0.00 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 3cxh n ASN 31 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3cxh n PHE 32 N 0.00 2.18 -4.05 3.10 0.99 -1.26 -1.87 117.46 116.55 3cxh n PHE 32 Ca 0.00 -2.12 -0.20 0.00 -0.00 0.00 0.00 57.45 55.13 3cxh n PHE 32 Cb 0.51 -1.91 -0.17 0.00 -1.00 0.00 0.00 39.48 36.91 3cxh n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3cxh s LEU 33 N 1.21 1.17 0.08 4.37 2.96 -1.26 -2.58 118.68 124.62 3cxh s LEU 33 Ca 0.53 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 3cxh s LEU 33 Cb 0.14 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.39 3cxh s LEU 33 CO 0.05 -0.09 -0.17 0.20 -1.32 0.00 0.00 176.35 175.02 3cxh s ASN 34 N 1.13 3.89 -0.08 3.68 0.02 -0.35 -1.05 114.94 122.18 3cxh s ASN 34 Ca -0.08 -0.48 0.01 0.00 -1.02 0.00 0.00 52.86 51.30 3cxh s ASN 34 Cb -0.14 -0.61 -0.03 0.00 0.02 0.00 0.00 41.25 40.50 3cxh s ASN 34 CO -0.01 0.22 -0.10 0.26 0.02 0.00 0.00 177.10 177.48 3cxh s TRP 35 N -1.04 2.83 -0.03 2.20 0.52 0.26 -0.94 118.94 122.75 3cxh s TRP 35 Ca 0.17 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.14 3cxh s TRP 35 Cb -0.11 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 3cxh s TRP 35 CO 0.08 0.14 -0.19 0.71 0.02 0.00 0.00 176.95 177.71 3cxh s TYR 36 N -0.46 1.79 -0.18 -1.98 2.02 -0.12 -1.28 117.35 117.14 3cxh s TYR 36 Ca 0.06 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 3cxh s TYR 36 Cb -0.12 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.22 3cxh s TYR 36 CO 0.02 -0.09 0.20 -1.14 -1.57 0.00 0.00 175.55 172.97 3cxh s GLN 37 N -0.26 4.22 -0.45 -0.62 0.74 -0.65 -1.10 119.66 121.54 3cxh s GLN 37 Ca 0.03 -0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.39 3cxh s GLN 37 Cb -0.09 -3.42 0.12 0.00 1.10 0.00 0.00 33.01 30.71 3cxh s GLN 37 CO 0.01 0.27 0.19 -1.14 -0.55 0.00 0.00 175.29 174.06 3cxh s GLN 38 N 0.41 1.67 0.72 1.67 -0.44 -0.56 -1.89 119.66 121.24 3cxh s GLN 38 Ca 0.12 -2.24 -0.16 0.00 -2.50 0.00 0.00 55.36 50.58 3cxh s GLN 38 Cb -0.12 -3.09 0.01 0.00 -1.64 0.00 0.00 33.01 28.18 3cxh s GLN 38 CO 0.01 -1.06 1.05 1.63 0.50 0.00 0.00 175.29 177.42 3cxh n LYS 39 N 3.59 0.58 0.29 1.67 4.76 -0.18 -2.36 118.16 126.51 3cxh n LYS 39 Ca 0.05 0.26 0.15 0.00 -2.87 0.00 0.00 58.31 55.89 3cxh n LYS 39 Cb 0.36 -2.30 0.89 0.00 -1.84 0.00 0.00 35.03 32.14 3cxh n LYS 39 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3cxh h PRO 40 N -0.18 0.00 -0.36 1.97 0.11 -1.87 -2.67 132.00 129.00 3cxh h PRO 40 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3cxh h PRO 40 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3cxh h PRO 40 CO 0.48 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 3cxh n ASP 41 N -3.78 0.39 0.00 -2.05 5.75 -1.26 -4.85 116.55 110.75 3cxh n ASP 41 Ca -0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 3cxh n ASP 41 Cb 0.11 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3cxh n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cxh n GLY 42 N 0.33 0.74 3.83 6.12 0.00 -1.00 -5.04 105.19 110.15 3cxh n GLY 42 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3cxh n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxh s THR 43 N -2.77 4.79 -0.06 2.61 2.01 -1.25 -4.95 115.64 116.01 3cxh s THR 43 Ca 0.00 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 63.03 3cxh s THR 43 Cb 0.00 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.72 3cxh s THR 43 CO 0.00 0.40 0.01 -0.51 -0.69 0.00 0.00 174.62 173.83 3cxh s ILE 44 N -1.28 0.30 0.27 1.82 2.07 -1.26 -1.01 121.20 122.11 3cxh s ILE 44 Ca 0.33 0.16 0.11 0.00 -1.41 0.00 0.00 60.65 59.85 3cxh s ILE 44 Cb -0.17 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 41.90 3cxh s ILE 44 CO 0.19 0.24 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.73 3cxh s LYS 45 N 1.94 1.65 0.06 3.50 1.02 -0.79 -5.00 119.74 122.11 3cxh s LYS 45 Ca 0.04 -1.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.02 3cxh s LYS 45 Cb -0.12 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.44 3cxh s LYS 45 CO -0.05 0.30 0.76 -1.17 -0.92 0.00 0.00 175.35 174.28 3cxh s LEU 46 N -3.49 4.47 -0.10 3.17 2.96 -1.26 -1.64 118.68 122.79 3cxh s LEU 46 Ca 0.29 1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 55.55 3cxh s LEU 46 Cb -0.04 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 3cxh s LEU 46 CO 0.14 0.05 -0.24 0.18 -1.32 0.00 0.00 176.35 175.16 3cxh n LEU 47 N 2.62 1.64 -4.00 -0.68 4.77 -0.40 -4.75 117.00 116.20 3cxh n LEU 47 Ca -0.03 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.05 3cxh n LEU 47 Cb 0.50 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 3cxh n LEU 47 CO 0.47 -0.35 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.13 3cxh s ILE 48 N -2.59 0.58 0.15 -0.08 -1.09 -1.01 -2.10 121.20 115.07 3cxh s ILE 48 Ca -0.20 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 57.86 3cxh s ILE 48 Cb 0.03 -0.51 -0.04 0.00 -1.58 0.00 0.00 42.46 40.36 3cxh s ILE 48 CO 0.29 0.09 -0.12 -0.72 -1.23 0.00 0.00 174.94 173.25 3cxh s TYR 49 N -0.32 1.40 -1.02 3.97 1.13 -0.22 0.91 117.35 123.20 3cxh s TYR 49 Ca 0.01 -0.65 -0.17 0.00 -1.41 0.00 0.00 57.07 54.85 3cxh s TYR 49 Cb -0.04 -0.70 0.02 0.00 -1.10 0.00 0.00 41.96 40.14 3cxh s TYR 49 CO -0.00 0.16 0.66 0.98 -2.51 0.00 0.00 175.55 174.84 3cxh n TYR 50 N 0.02 -1.77 0.00 -3.49 4.19 -1.06 -1.85 117.16 113.20 3cxh n TYR 50 Ca -0.12 0.47 0.00 0.00 3.31 0.00 0.00 57.90 61.57 3cxh n TYR 50 Cb 0.59 -2.87 0.00 0.00 0.49 0.00 0.00 39.34 37.55 3cxh n TYR 50 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 3cxh n THR 51 N -3.81 0.00 0.00 2.97 5.66 -0.21 -3.58 114.28 115.31 3cxh n THR 51 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 3cxh n THR 51 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 3cxh n THR 51 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3cxh n SER 52 N 0.00 1.44 -4.69 1.09 3.41 -1.22 -4.32 113.62 109.33 3cxh n SER 52 Ca 0.00 -0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 3cxh n SER 52 Cb 0.00 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 3cxh n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3cxh s ARG 53 N -0.90 4.21 0.14 4.33 1.81 -0.77 -4.65 118.95 123.11 3cxh s ARG 53 Ca 0.00 2.31 -0.25 0.00 -1.72 0.00 0.00 55.73 56.07 3cxh s ARG 53 Cb 0.00 -3.54 -0.07 0.00 -0.45 0.00 0.00 34.95 30.89 3cxh s ARG 53 CO 0.00 -0.71 0.78 -0.51 -0.68 0.00 0.00 175.30 174.19 3cxh s LEU 54 N 2.41 4.56 0.60 2.53 1.02 -1.26 -1.06 118.68 127.49 3cxh s LEU 54 Ca 0.73 1.61 -0.08 0.00 0.02 0.00 0.00 54.13 56.41 3cxh s LEU 54 Cb -0.40 -3.30 -0.01 0.00 0.02 0.00 0.00 46.19 42.51 3cxh s LEU 54 CO 0.32 0.16 0.95 -2.28 0.02 0.00 0.00 176.35 175.51 3cxh s HIS 55 N -0.86 3.40 0.18 0.29 5.65 -0.89 -4.93 115.29 118.13 3cxh s HIS 55 Ca 0.37 0.90 -0.33 0.00 0.25 0.00 0.00 55.06 56.25 3cxh s HIS 55 Cb -0.23 -2.73 -0.13 0.00 -1.18 0.00 0.00 32.58 28.31 3cxh s HIS 55 CO 0.26 -0.78 1.66 0.00 -0.65 0.00 0.00 174.74 175.23 3cxh n ALA 56 N -2.66 2.06 0.00 1.58 0.00 -1.26 -2.47 120.51 117.76 3cxh n ALA 56 Ca 0.05 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3cxh n ALA 56 Cb 0.56 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3cxh n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxh n GLY 57 N 3.71 1.72 3.70 0.00 0.00 -1.26 -5.04 105.19 108.02 3cxh n GLY 57 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3cxh n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cxh s VAL 58 N -2.42 5.01 0.74 1.61 -7.23 -1.03 -5.04 120.40 112.04 3cxh s VAL 58 Ca 0.00 1.48 -0.16 0.00 -1.81 0.00 0.00 61.98 61.49 3cxh s VAL 58 Cb 0.00 -4.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.85 3cxh s VAL 58 CO 0.00 0.19 0.60 -2.65 -0.31 0.00 0.00 175.10 172.93 3cxh n PRO 59 N 4.18 0.29 0.25 4.82 -0.02 -1.26 -4.86 135.00 138.39 3cxh n PRO 59 Ca 0.00 0.14 0.17 0.00 -2.02 0.00 0.00 63.50 61.79 3cxh n PRO 59 Cb 0.51 -1.90 0.72 0.00 -0.02 0.00 0.00 33.50 32.81 3cxh n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3cxh h SER 60 N -0.45 0.00 0.00 2.55 4.64 -2.00 -3.10 113.55 115.19 3cxh h SER 60 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3cxh h SER 60 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3cxh h SER 60 CO 0.43 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.28 3cxh n ARG 61 N -2.84 0.65 -3.87 4.77 1.85 -1.26 -4.51 116.66 111.45 3cxh n ARG 61 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 3cxh n ARG 61 Cb 0.23 -1.25 -0.15 0.00 -1.05 0.00 0.00 32.46 30.25 3cxh n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3cxh s PHE 62 N -0.29 2.56 0.54 2.89 0.08 -1.17 -3.61 117.98 118.97 3cxh s PHE 62 Ca 0.00 -2.18 -0.01 0.00 0.12 0.00 0.00 56.93 54.86 3cxh s PHE 62 Cb 0.00 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3cxh s PHE 62 CO 0.00 -0.88 0.78 -1.12 -0.10 0.00 0.00 175.22 173.90 3cxh s SER 63 N 1.32 5.44 -0.49 1.36 0.01 -0.32 -4.96 113.70 116.07 3cxh s SER 63 Ca 0.07 0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.60 3cxh s SER 63 Cb -0.18 -1.19 0.19 0.00 0.21 0.00 0.00 66.02 65.04 3cxh s SER 63 CO -0.15 -1.04 0.63 0.61 0.41 0.00 0.00 173.24 173.70 3cxh n GLY 64 N -2.34 0.19 3.91 3.44 0.00 -1.26 -3.12 105.19 106.01 3cxh n GLY 64 Ca 0.05 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3cxh n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cxh s SER 65 N 0.52 6.07 0.00 1.61 1.04 -1.14 -3.52 113.70 118.28 3cxh s SER 65 Ca 0.31 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.59 3cxh s SER 65 Cb 0.02 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.06 3cxh s SER 65 CO -0.10 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3cxh n GLY 66 N -2.34 3.56 3.65 7.32 0.00 -1.26 -0.41 105.19 115.71 3cxh n GLY 66 Ca 0.02 -1.59 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 3cxh n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cxh s SER 67 N 0.00 -0.00 0.00 1.61 1.04 -0.48 -4.99 113.70 110.88 3cxh s SER 67 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 3cxh s SER 67 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3cxh s SER 67 CO 0.00 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3cxh n GLY 68 N 0.13 0.66 0.00 7.32 0.00 -1.19 -2.37 105.19 109.74 3cxh n GLY 68 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3cxh n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cxh n THR 69 N 0.00 0.00 -4.02 2.61 5.66 -1.26 -1.31 114.28 115.95 3cxh n THR 69 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 3cxh n THR 69 Cb 0.00 0.36 -0.09 0.00 -1.55 0.00 0.00 70.33 69.04 3cxh n THR 69 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3cxh s ASP 70 N 0.00 5.68 0.04 1.09 1.11 -1.00 -3.11 116.67 120.48 3cxh s ASP 70 Ca 0.00 0.13 -0.00 0.00 0.18 0.00 0.00 52.55 52.86 3cxh s ASP 70 Cb 0.00 -1.93 -0.03 0.00 1.07 0.00 0.00 42.92 42.03 3cxh s ASP 70 CO 0.00 0.22 -0.03 -0.31 1.18 0.00 0.00 175.17 176.22 3cxh s TYR 71 N 0.10 0.43 0.07 4.23 1.51 -1.13 -1.38 117.35 121.17 3cxh s TYR 71 Ca 0.05 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.33 3cxh s TYR 71 Cb -0.12 -0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 3cxh s TYR 71 CO 0.01 -0.26 -0.02 0.45 -1.11 0.00 0.00 175.55 174.61 3cxh s SER 72 N -2.16 0.54 -0.33 2.29 0.15 0.45 -1.31 113.70 113.32 3cxh s SER 72 Ca -0.05 -1.03 -0.01 0.00 0.70 0.00 0.00 55.95 55.56 3cxh s SER 72 Cb -0.02 0.20 0.13 0.00 -1.71 0.00 0.00 66.02 64.62 3cxh s SER 72 CO -0.05 -0.61 0.19 -0.22 1.20 0.00 0.00 173.24 173.75 3cxh s LEU 73 N -2.95 0.86 0.32 3.45 1.98 -1.03 -2.87 118.68 118.44 3cxh s LEU 73 Ca 0.10 -1.94 -0.07 0.00 -2.89 0.00 0.00 54.13 49.33 3cxh s LEU 73 Cb 0.08 -0.39 -0.06 0.00 0.66 0.00 0.00 46.19 46.48 3cxh s LEU 73 CO -0.08 -0.35 0.63 -0.89 -1.89 0.00 0.00 176.35 173.78 3cxh s THR 74 N 1.36 4.93 0.00 3.68 2.01 -1.18 -2.99 115.64 123.44 3cxh s THR 74 Ca 0.15 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.45 3cxh s THR 74 Cb -0.21 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3cxh s THR 74 CO -0.10 -0.36 0.00 -0.38 -0.69 0.00 0.00 174.62 173.09 3cxh n ILE 75 N -0.97 0.00 0.00 1.82 5.41 -1.00 -1.17 119.36 123.45 3cxh n ILE 75 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3cxh n ILE 75 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 3cxh n ILE 75 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3cxh n SER 76 N -0.18 0.00 -3.40 4.38 2.88 -1.24 -4.61 113.62 111.45 3cxh n SER 76 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3cxh n SER 76 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 3cxh n SER 76 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3cxh s ASN 77 N -2.21 -0.04 -0.52 -3.46 2.20 -1.26 -3.69 114.94 105.96 3cxh s ASN 77 Ca 0.00 -0.68 0.07 0.00 -0.94 0.00 0.00 52.86 51.32 3cxh s ASN 77 Cb 0.00 0.55 0.30 0.00 -2.00 0.00 0.00 41.25 40.09 3cxh s ASN 77 CO 0.00 -1.07 0.76 0.18 -2.94 0.00 0.00 177.10 174.02 3cxh n LEU 78 N -0.62 2.68 -4.14 3.54 4.32 -1.26 -4.90 117.00 116.61 3cxh n LEU 78 Ca -0.04 -5.28 -0.32 0.00 -0.02 0.00 0.00 56.01 50.35 3cxh n LEU 78 Cb 0.60 -0.10 -0.16 0.00 -1.62 0.00 0.00 43.42 42.13 3cxh n LEU 78 CO 0.20 2.19 -0.53 -0.70 -1.22 0.00 0.00 177.39 177.33 3cxh s GLU 79 N -2.49 2.90 0.05 3.23 2.12 -1.26 -3.01 118.70 120.23 3cxh s GLU 79 Ca 0.42 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.66 3cxh s GLU 79 Cb 0.23 -2.40 -0.17 0.00 0.26 0.00 0.00 34.13 32.05 3cxh s GLU 79 CO -0.08 -0.08 1.51 -1.00 -0.54 0.00 0.00 175.26 175.07 3cxh h PRO 80 N 7.53 -0.51 -1.61 4.30 0.13 -2.06 -3.48 132.00 136.30 3cxh h PRO 80 Ca -0.36 0.03 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 3cxh h PRO 80 Cb 1.17 0.12 -0.25 0.00 0.13 0.00 0.00 31.00 32.17 3cxh h PRO 80 CO 0.57 -0.27 0.25 -1.83 -0.23 0.00 0.00 178.00 176.49 3cxh s GLU 81 N -5.58 0.46 -0.38 0.86 1.03 -1.17 -5.03 118.70 108.90 3cxh s GLU 81 Ca -0.15 0.84 0.06 0.00 0.03 0.00 0.00 54.97 55.74 3cxh s GLU 81 Cb 0.03 0.18 0.49 0.00 -0.80 0.00 0.00 34.13 34.03 3cxh s GLU 81 CO 0.60 -0.11 1.54 -0.25 -1.33 0.00 0.00 175.26 175.72 3cxh n ASP 82 N 4.09 4.30 -4.57 0.83 8.00 -1.26 -4.98 116.55 122.95 3cxh n ASP 82 Ca -0.17 -3.77 -0.41 0.00 0.71 0.00 0.00 54.79 51.14 3cxh n ASP 82 Cb 0.57 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3cxh n ASP 82 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3cxh s ILE 83 N -3.95 3.61 -0.09 0.53 -4.36 -1.26 -4.85 121.20 110.83 3cxh s ILE 83 Ca 0.51 0.51 -0.32 0.00 -0.26 0.00 0.00 60.65 61.09 3cxh s ILE 83 Cb 0.43 -4.16 0.12 0.00 1.25 0.00 0.00 42.46 40.11 3cxh s ILE 83 CO 0.01 -0.96 1.18 0.00 0.24 0.00 0.00 174.94 175.41 3cxh s ALA 84 N 7.02 -2.06 -0.11 2.27 0.00 -1.26 -4.37 121.76 123.24 3cxh s ALA 84 Ca 0.61 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 53.46 3cxh s ALA 84 Cb -0.13 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3cxh s ALA 84 CO 0.25 -0.78 0.78 0.99 0.00 0.00 0.00 175.76 177.00 3cxh s THR 85 N -2.56 4.96 -0.22 0.00 2.01 -1.00 -3.00 115.64 115.83 3cxh s THR 85 Ca 0.11 1.57 -0.11 0.00 0.31 0.00 0.00 61.69 63.56 3cxh s THR 85 Cb 0.01 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 3cxh s THR 85 CO -0.04 0.14 0.19 -0.31 -0.69 0.00 0.00 174.62 173.90 3cxh s TYR 86 N 1.48 3.36 0.36 4.92 1.51 -0.94 -1.49 117.35 126.55 3cxh s TYR 86 Ca 0.39 0.33 0.08 0.00 -1.01 0.00 0.00 57.07 56.85 3cxh s TYR 86 Cb -0.17 -2.27 -0.05 0.00 -0.11 0.00 0.00 41.96 39.36 3cxh s TYR 86 CO 0.16 0.14 0.14 -0.06 -1.11 0.00 0.00 175.55 174.81 3cxh s PHE 87 N 0.83 2.66 -0.06 2.71 0.40 -0.26 -2.43 117.98 121.82 3cxh s PHE 87 Ca 0.10 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 3cxh s PHE 87 Cb -0.13 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.72 3cxh s PHE 87 CO 0.03 0.32 0.17 0.00 0.70 0.00 0.00 175.22 176.43 3cxh s GLN 89 N 0.24 1.37 0.39 0.00 -2.07 -0.11 -0.30 119.66 119.16 3cxh s GLN 89 Ca -0.01 -1.69 0.06 0.00 -1.82 0.00 0.00 55.36 51.90 3cxh s GLN 89 Cb -0.03 -0.70 -0.08 0.00 -1.09 0.00 0.00 33.01 31.12 3cxh s GLN 89 CO -0.01 -0.07 0.02 -3.38 -1.32 0.00 0.00 175.29 170.53 3cxh s HIS 90 N -3.35 2.38 0.00 9.60 -3.43 -1.06 -1.22 115.29 118.21 3cxh s HIS 90 Ca 0.28 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.81 3cxh s HIS 90 Cb 0.05 -1.64 0.00 0.00 -1.43 0.00 0.00 32.58 29.56 3cxh s HIS 90 CO 0.09 0.34 0.88 -2.39 -2.00 0.00 0.00 174.74 171.66 3cxh n HIS 91 N -0.89 0.00 0.21 0.38 1.44 -1.06 -4.13 115.22 111.16 3cxh n HIS 91 Ca -0.04 -0.39 0.06 0.00 -2.01 0.00 0.00 57.72 55.33 3cxh n HIS 91 Cb 0.67 0.45 0.46 0.00 0.12 0.00 0.00 29.99 31.68 3cxh n HIS 91 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 3cxh h ILE 92 N 4.85 0.97 -2.81 0.61 -2.65 -1.96 -3.45 117.51 113.07 3cxh h ILE 92 Ca -0.45 -1.11 0.03 0.00 1.03 0.00 0.00 64.86 64.36 3cxh h ILE 92 Cb 1.30 1.64 -0.12 0.00 -2.05 0.00 0.00 36.82 37.60 3cxh h ILE 92 CO -0.23 0.29 0.29 -0.54 0.03 0.00 0.00 178.15 177.99 3cxh s LYS 93 N -4.06 1.22 0.28 0.16 -0.14 -1.26 -5.15 119.74 110.79 3cxh s LYS 93 Ca -0.02 -0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 53.94 3cxh s LYS 93 Cb 0.13 0.54 -0.09 0.00 -1.68 0.00 0.00 37.83 36.73 3cxh s LYS 93 CO 0.68 -0.54 0.71 -0.06 -0.76 0.00 0.00 175.35 175.38 3cxh s PHE 94 N -3.60 3.46 0.58 3.18 0.08 -1.26 -4.21 117.98 116.20 3cxh s PHE 94 Ca 0.03 1.23 -0.10 0.00 0.12 0.00 0.00 56.93 58.21 3cxh s PHE 94 Cb -0.02 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 3cxh s PHE 94 CO -0.10 0.19 0.96 -1.25 -0.10 0.00 0.00 175.22 174.92 3cxh s PRO 95 N -2.65 3.60 0.45 0.24 0.04 -1.26 -4.94 135.00 130.47 3cxh s PRO 95 Ca 0.50 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.00 3cxh s PRO 95 Cb -0.12 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 3cxh s PRO 95 CO 0.19 -0.45 0.88 -1.58 0.04 0.00 0.00 177.00 176.07 3cxh s TRP 96 N -3.03 3.43 0.01 0.56 0.51 -1.26 -4.71 118.94 114.46 3cxh s TRP 96 Ca 0.53 1.31 0.00 0.00 -2.12 0.00 0.00 56.10 55.82 3cxh s TRP 96 Cb -0.11 -2.65 -0.01 0.00 -0.81 0.00 0.00 33.47 29.90 3cxh s TRP 96 CO 0.50 -0.20 -0.01 0.99 -0.51 0.00 0.00 176.95 177.72 3cxh s THR 97 N -2.42 0.05 0.38 2.01 2.01 -1.26 -5.00 115.64 111.42 3cxh s THR 97 Ca 0.56 -0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.24 3cxh s THR 97 Cb -0.10 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 3cxh s THR 97 CO 0.28 -0.22 0.37 -0.36 -0.69 0.00 0.00 174.62 174.00 3cxh s PHE 98 N -0.63 2.81 0.39 4.92 0.08 -1.26 -2.56 117.98 121.73 3cxh s PHE 98 Ca -0.07 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.52 3cxh s PHE 98 Cb -0.04 -2.05 0.09 0.00 -0.57 0.00 0.00 43.02 40.44 3cxh s PHE 98 CO -0.00 -0.04 0.53 0.41 -0.10 0.00 0.00 175.22 176.02 3cxh n GLY 99 N -1.52 -1.05 0.13 4.36 0.00 0.59 -4.41 105.19 103.28 3cxh n GLY 99 Ca 0.02 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.33 3cxh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxh h ALA 100 N -1.75 0.66 0.00 4.61 0.00 -1.91 -3.46 119.26 117.41 3cxh h ALA 100 Ca -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3cxh h ALA 100 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3cxh h ALA 100 CO 0.13 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.51 3cxh n GLY 101 N 1.09 2.57 2.76 0.00 0.00 -1.26 -5.03 105.19 105.32 3cxh n GLY 101 Ca 0.01 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 3cxh n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxh s THR 102 N -2.48 -0.37 0.43 2.61 2.01 -1.02 -4.08 115.64 112.73 3cxh s THR 102 Ca 0.00 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 3cxh s THR 102 Cb 0.00 -0.85 -0.08 0.00 0.01 0.00 0.00 72.50 71.58 3cxh s THR 102 CO 0.00 -0.52 1.31 -0.75 -0.69 0.00 0.00 174.62 173.97 3cxh s LYS 103 N 1.94 3.82 -0.57 4.92 2.47 -1.26 -2.21 119.74 128.84 3cxh s LYS 103 Ca 0.13 2.15 0.07 0.00 -1.56 0.00 0.00 55.97 56.75 3cxh s LYS 103 Cb -0.15 -2.65 0.27 0.00 -1.46 0.00 0.00 37.83 33.85 3cxh s LYS 103 CO -0.19 -0.62 0.74 -0.11 0.16 0.00 0.00 175.35 175.33 3cxh n LEU 104 N -0.11 3.09 -4.81 5.43 7.94 -1.16 -1.56 117.00 125.82 3cxh n LEU 104 Ca 0.05 -5.33 -0.33 0.00 -1.11 0.00 0.00 56.01 49.29 3cxh n LEU 104 Cb 0.44 -0.34 -0.02 0.00 0.53 0.00 0.00 43.42 44.03 3cxh n LEU 104 CO 0.55 2.13 0.70 -1.61 -1.11 0.00 0.00 177.39 178.05 3cxh s GLU 105 N -2.42 3.69 -0.25 1.96 2.02 -1.16 -4.25 118.70 118.29 3cxh s GLU 105 Ca 0.41 1.22 -0.08 0.00 0.02 0.00 0.00 54.97 56.54 3cxh s GLU 105 Cb 0.19 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 3cxh s GLU 105 CO -0.05 -0.51 0.08 0.96 0.02 0.00 0.00 175.26 175.76 3cxh s ILE 106 N -2.28 4.40 0.00 -1.63 -4.36 -1.26 -1.76 121.20 114.32 3cxh s ILE 106 Ca 0.64 -0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 3cxh s ILE 106 Cb -0.15 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.50 3cxh s ILE 106 CO 0.27 0.32 0.00 1.17 0.24 0.00 0.00 174.94 176.95