#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 3.46 -0.06 0.53 1.09 -1.26 -5.08 121.20 119.88 3cxh s ILE 2 Ca 0.00 0.47 -0.10 0.00 -1.10 0.00 0.00 60.65 59.93 3cxh s ILE 2 Cb 0.00 -3.08 0.02 0.00 -1.06 0.00 0.00 42.46 38.34 3cxh s ILE 2 CO 0.00 -0.62 0.23 -1.83 -0.10 0.00 0.00 174.94 172.63 3cxh s GLU 3 N -4.99 0.41 -0.10 2.79 -1.05 -1.26 -4.72 118.70 109.78 3cxh s GLU 3 Ca 0.60 0.07 -0.04 0.00 -0.15 0.00 0.00 54.97 55.45 3cxh s GLU 3 Cb -0.16 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 3cxh s GLU 3 CO 0.56 -0.08 0.05 -0.51 0.95 0.00 0.00 175.26 176.22 3cxh s LEU 4 N -0.50 3.85 -0.57 1.83 1.02 -1.26 -1.65 118.68 121.40 3cxh s LEU 4 Ca -0.06 0.24 -0.14 0.00 0.02 0.00 0.00 54.13 54.19 3cxh s LEU 4 Cb -0.04 -1.91 0.14 0.00 0.02 0.00 0.00 46.19 44.41 3cxh s LEU 4 CO 0.01 0.37 0.50 -0.89 0.02 0.00 0.00 176.35 176.37 3cxh s THR 5 N -0.85 5.02 -0.16 5.49 2.01 -0.13 -4.00 115.64 123.02 3cxh s THR 5 Ca 0.13 -1.72 -0.26 0.00 0.31 0.00 0.00 61.69 60.15 3cxh s THR 5 Cb -0.12 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 3cxh s THR 5 CO 0.03 -0.87 0.87 -1.10 -0.69 0.00 0.00 174.62 172.86 3cxh s GLN 6 N 1.32 4.32 -0.05 4.92 -0.21 -1.26 -2.83 119.66 125.87 3cxh s GLN 6 Ca 0.06 1.10 -0.04 0.00 0.02 0.00 0.00 55.36 56.50 3cxh s GLN 6 Cb -0.26 -3.57 0.02 0.00 1.00 0.00 0.00 33.01 30.19 3cxh s GLN 6 CO 0.00 -0.34 0.13 -0.08 -2.12 0.00 0.00 175.29 172.88 3cxh s THR 7 N 2.18 -0.01 -0.22 -0.19 -1.32 -1.08 -4.08 115.64 110.92 3cxh s THR 7 Ca 0.40 0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.78 3cxh s THR 7 Cb -0.17 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 3cxh s THR 7 CO 0.13 0.02 0.33 -2.16 -2.21 0.00 0.00 174.62 170.72 3cxh s PRO 8 N 0.30 4.13 0.05 7.08 0.04 -1.26 -2.43 135.00 142.91 3cxh s PRO 8 Ca -0.02 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.78 3cxh s PRO 8 Cb -0.03 -3.55 -0.08 0.00 0.04 0.00 0.00 34.50 30.88 3cxh s PRO 8 CO -0.01 -0.03 1.82 0.08 0.04 0.00 0.00 177.00 178.90 3cxh s VAL 9 N 1.29 3.02 0.16 -0.36 1.01 -1.26 -4.53 120.40 119.73 3cxh s VAL 9 Ca 0.15 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3cxh s VAL 9 Cb -0.14 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3cxh s VAL 9 CO 0.07 -0.01 0.00 -1.20 0.00 0.00 0.00 175.10 173.96 3cxh n SER 10 N 6.66 -5.07 -3.64 3.32 7.64 -1.25 -4.84 113.62 116.43 3cxh n SER 10 Ca 0.18 0.56 -0.07 0.00 1.01 0.00 0.00 58.87 60.54 3cxh n SER 10 Cb 0.41 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.04 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 -1.43 -0.34 0.21 -3.43 2.96 -1.24 -4.90 118.68 110.52 3cxh s LEU 11 Ca 0.00 0.65 0.08 0.00 -0.22 0.00 0.00 54.13 54.64 3cxh s LEU 11 Cb 0.00 1.66 -0.04 0.00 0.50 0.00 0.00 46.19 48.31 3cxh s LEU 11 CO 0.00 -0.12 -0.01 0.00 -1.32 0.00 0.00 176.35 174.90 3cxh s ALA 12 N 0.14 3.15 0.19 5.97 0.00 -1.26 -1.77 121.76 128.19 3cxh s ALA 12 Ca 0.04 -1.47 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 3cxh s ALA 12 Cb -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.24 3cxh s ALA 12 CO -0.09 0.41 0.94 0.00 0.00 0.00 0.00 175.76 177.02 3cxh s ALA 13 N -1.91 -1.52 0.65 0.00 0.00 -1.16 -4.93 121.76 112.88 3cxh s ALA 13 Ca 0.28 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 3cxh s ALA 13 Cb -0.08 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 3cxh s ALA 13 CO 0.19 -1.04 1.05 -1.12 0.00 0.00 0.00 175.76 174.83 3cxh s SER 14 N -3.06 5.68 -1.35 0.00 0.01 -1.26 -4.58 113.70 109.14 3cxh s SER 14 Ca 0.15 1.63 -0.09 0.00 1.31 0.00 0.00 55.95 58.95 3cxh s SER 14 Cb -0.02 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 3cxh s SER 14 CO 0.04 -1.24 2.98 0.18 0.41 0.00 0.00 173.24 175.61 3cxh n LEU 15 N -2.72 8.18 0.00 2.44 4.32 -1.26 -3.42 117.00 124.54 3cxh n LEU 15 Ca 0.07 -4.27 0.00 0.00 -0.02 0.00 0.00 56.01 51.79 3cxh n LEU 15 Cb 0.53 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.83 3cxh n LEU 15 CO 0.53 2.02 0.00 0.61 -1.22 0.00 0.00 177.39 179.33 3cxh n GLY 16 N 3.14 0.01 3.20 -0.72 0.00 -1.26 -4.43 105.19 105.14 3cxh n GLY 16 Ca 0.72 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.50 3cxh n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cxh n ASP 17 N 0.00 0.25 -4.47 1.61 3.85 -1.22 -4.31 116.55 112.25 3cxh n ASP 17 Ca 0.00 -1.49 -0.26 0.00 -0.71 0.00 0.00 54.79 52.34 3cxh n ASP 17 Cb 0.00 -0.80 0.14 0.00 -1.35 0.00 0.00 41.12 39.11 3cxh n ASP 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3cxh s ARG 18 N -5.29 1.28 -0.17 0.11 1.04 -1.25 -3.05 118.95 111.62 3cxh s ARG 18 Ca 0.61 -0.93 -0.29 0.00 -1.04 0.00 0.00 55.73 54.08 3cxh s ARG 18 Cb -0.02 -2.17 0.10 0.00 -2.04 0.00 0.00 34.95 30.82 3cxh s ARG 18 CO 0.43 -1.81 0.88 0.54 -0.04 0.00 0.00 175.30 175.30 3cxh s VAL 19 N -3.40 0.00 -0.26 4.99 0.11 -1.24 -4.95 120.40 115.65 3cxh s VAL 19 Ca 0.69 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.73 3cxh s VAL 19 Cb -0.04 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.93 3cxh s VAL 19 CO 0.47 0.00 0.28 -0.89 -3.33 0.00 0.00 175.10 171.64 3cxh s THR 20 N -0.67 -0.41 0.63 5.04 2.01 -1.26 -2.82 115.64 118.17 3cxh s THR 20 Ca -0.03 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 3cxh s THR 20 Cb -0.02 -0.86 0.13 0.00 0.01 0.00 0.00 72.50 71.76 3cxh s THR 20 CO 0.02 -0.33 0.86 -0.38 -0.69 0.00 0.00 174.62 174.10 3cxh n ILE 21 N 5.32 0.00 -3.56 1.82 5.41 -1.10 -4.73 119.36 122.53 3cxh n ILE 21 Ca -0.03 -1.03 -0.15 0.00 1.00 0.00 0.00 62.75 62.54 3cxh n ILE 21 Cb 0.48 -1.25 -0.06 0.00 -0.71 0.00 0.00 39.64 38.10 3cxh n ILE 21 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3cxh s SER 22 N -4.35 -0.58 -0.50 4.38 1.04 -1.02 -3.47 113.70 109.19 3cxh s SER 22 Ca 0.53 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.75 3cxh s SER 22 Cb -0.02 0.62 0.19 0.00 0.10 0.00 0.00 66.02 66.90 3cxh s SER 22 CO 0.36 -0.47 0.45 0.00 0.98 0.00 0.00 173.24 174.56 3cxh s ARG 24 N -0.78 3.53 0.58 0.00 3.52 -1.13 -4.02 118.95 120.66 3cxh s ARG 24 Ca 0.32 1.24 -0.11 0.00 -0.13 0.00 0.00 55.73 57.04 3cxh s ARG 24 Cb 0.05 -4.09 -0.05 0.00 -1.56 0.00 0.00 34.95 29.31 3cxh s ARG 24 CO -0.16 -1.62 1.00 0.00 -0.81 0.00 0.00 175.30 173.70 3cxh s ALA 25 N 5.91 3.13 -0.34 6.12 0.00 -0.60 -0.96 121.76 135.02 3cxh s ALA 25 Ca 0.70 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.61 3cxh s ALA 25 Cb -0.19 -3.04 0.37 0.00 0.00 0.00 0.00 23.12 20.26 3cxh s ALA 25 CO 0.32 -0.56 1.38 -1.13 0.00 0.00 0.00 175.76 175.77 3cxh n SER 26 N -2.47 3.40 -3.80 0.00 3.41 -0.66 -4.90 113.62 108.60 3cxh n SER 26 Ca 0.06 -2.73 0.03 0.00 -0.26 0.00 0.00 58.87 55.97 3cxh n SER 26 Cb 0.54 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 3cxh n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3cxh s GLN 27 N -1.75 0.21 -0.26 4.33 0.74 -1.26 -4.87 119.66 116.80 3cxh s GLN 27 Ca 0.29 -0.13 -0.21 0.00 0.05 0.00 0.00 55.36 55.36 3cxh s GLN 27 Cb 0.24 0.06 -0.02 0.00 1.10 0.00 0.00 33.01 34.39 3cxh s GLN 27 CO 0.06 -0.10 0.66 0.34 -0.55 0.00 0.00 175.29 175.71 3cxh s ASP 28 N -3.58 6.61 -0.18 6.67 3.68 -1.26 -4.57 116.67 124.04 3cxh s ASP 28 Ca 0.25 0.74 0.14 0.00 2.13 0.00 0.00 52.55 55.81 3cxh s ASP 28 Cb 0.02 -2.35 0.43 0.00 -1.45 0.00 0.00 42.92 39.56 3cxh s ASP 28 CO -0.03 -0.41 1.21 2.30 0.13 0.00 0.00 175.17 178.37 3cxh n ILE 29 N 5.23 1.82 0.00 4.11 -5.35 -0.95 -5.05 119.36 119.17 3cxh n ILE 29 Ca 0.00 -2.91 0.00 0.00 -0.27 0.00 0.00 62.75 59.57 3cxh n ILE 29 Cb 0.49 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 3cxh n ILE 29 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3cxh n ASN 30 N -0.79 0.00 0.00 7.28 4.13 -1.25 -1.52 115.26 123.11 3cxh n ASN 30 Ca 0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3cxh n ASN 30 Cb 0.79 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.03 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 6.05 0.00 -3.93 6.41 3.02 -1.26 -2.50 115.26 123.05 3cxh n ASN 31 Ca 0.00 -1.00 -0.39 0.00 -0.03 0.00 0.00 54.58 53.16 3cxh n ASN 31 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3cxh n ASN 31 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3cxh n PHE 32 N 0.00 2.24 -3.83 3.10 0.99 -0.57 -1.89 117.46 117.49 3cxh n PHE 32 Ca 0.00 -1.76 -0.17 0.00 -0.00 0.00 0.00 57.45 55.52 3cxh n PHE 32 Cb 0.48 -2.02 -0.16 0.00 -1.00 0.00 0.00 39.48 36.78 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 4.14 0.94 0.29 4.37 2.96 -1.26 -1.78 118.68 128.34 3cxh s LEU 33 Ca 0.60 0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.62 3cxh s LEU 33 Cb 0.10 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.57 3cxh s LEU 33 CO 0.12 -0.14 -0.03 0.20 -1.32 0.00 0.00 176.35 175.18 3cxh s ASN 34 N 1.27 4.29 -0.07 3.68 0.02 0.92 -1.31 114.94 123.73 3cxh s ASN 34 Ca -0.06 -0.80 0.02 0.00 -1.02 0.00 0.00 52.86 51.00 3cxh s ASN 34 Cb -0.13 -0.67 0.02 0.00 0.02 0.00 0.00 41.25 40.49 3cxh s ASN 34 CO -0.03 -0.05 -0.10 0.26 0.02 0.00 0.00 177.10 177.20 3cxh s TRP 35 N -2.40 1.36 0.24 2.20 0.52 0.11 -1.40 118.94 119.56 3cxh s TRP 35 Ca 0.32 -0.52 0.10 0.00 0.02 0.00 0.00 56.10 56.02 3cxh s TRP 35 Cb -0.05 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 3cxh s TRP 35 CO 0.19 -0.31 -0.12 0.71 0.02 0.00 0.00 176.95 177.45 3cxh s TYR 36 N 0.89 2.51 -0.15 -1.98 2.02 -0.93 -1.51 117.35 118.20 3cxh s TYR 36 Ca -0.11 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3cxh s TYR 36 Cb -0.15 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3cxh s TYR 36 CO 0.01 0.60 -0.18 -1.14 -1.57 0.00 0.00 175.55 173.27 3cxh s GLN 37 N -3.27 2.72 -0.46 -0.62 0.74 0.09 -1.75 119.66 117.11 3cxh s GLN 37 Ca 0.28 -0.73 -0.09 0.00 0.05 0.00 0.00 55.36 54.87 3cxh s GLN 37 Cb -0.07 -2.32 0.11 0.00 1.10 0.00 0.00 33.01 31.83 3cxh s GLN 37 CO 0.16 -0.14 0.32 -1.14 -0.55 0.00 0.00 175.29 173.93 3cxh s GLN 38 N 1.17 2.49 0.69 1.67 0.74 0.44 -1.12 119.66 125.74 3cxh s GLN 38 Ca 0.00 -1.69 -0.16 0.00 0.05 0.00 0.00 55.36 53.56 3cxh s GLN 38 Cb -0.14 -3.88 0.02 0.00 1.10 0.00 0.00 33.01 30.11 3cxh s GLN 38 CO -0.08 -1.13 1.18 0.15 -0.55 0.00 0.00 175.29 174.86 3cxh s LYS 39 N 1.37 2.46 0.51 1.67 -0.14 -0.64 -1.16 119.74 123.80 3cxh s LYS 39 Ca 0.05 1.68 0.39 0.00 -1.36 0.00 0.00 55.97 56.74 3cxh s LYS 39 Cb -0.25 -1.88 1.57 0.00 -1.68 0.00 0.00 37.83 35.59 3cxh s LYS 39 CO -0.00 -1.57 1.64 -1.35 -0.76 0.00 0.00 175.35 173.31 3cxh h PRO 40 N 0.01 0.04 0.00 -1.68 0.11 -1.91 0.25 132.00 128.83 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 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3cxh h PRO 40 CO 0.52 0.03 -0.17 0.38 -0.21 0.00 0.00 178.00 178.54 3cxh h ASP 41 N 0.04 0.00 0.00 -2.05 2.03 -1.98 -3.47 116.42 111.00 3cxh h ASP 41 Ca 0.81 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 57.09 3cxh h ASP 41 Cb 2.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.47 3cxh h ASP 41 CO -0.17 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.66 3cxh n GLY 42 N 1.22 0.99 3.62 7.15 0.00 0.87 -5.09 105.19 113.96 3cxh n GLY 42 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.20 -0.25 2.61 2.01 -1.25 -4.81 115.64 116.15 3cxh s THR 43 Ca 0.00 1.34 -0.10 0.00 0.31 0.00 0.00 61.69 63.23 3cxh s THR 43 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 3cxh s THR 43 CO 0.00 -0.59 0.16 -0.51 -0.69 0.00 0.00 174.62 172.99 3cxh s ILE 44 N 4.35 5.20 0.02 1.82 2.07 -1.25 -1.63 121.20 131.77 3cxh s ILE 44 Ca 0.53 0.13 0.08 0.00 -1.41 0.00 0.00 60.65 59.98 3cxh s ILE 44 Cb -0.14 -3.44 -0.02 0.00 0.13 0.00 0.00 42.46 38.99 3cxh s ILE 44 CO 0.24 0.31 -0.24 -0.54 -1.91 0.00 0.00 174.94 172.80 3cxh s LYS 45 N 1.38 1.75 0.33 3.50 1.02 -0.27 -4.92 119.74 122.52 3cxh s LYS 45 Ca 0.07 -0.95 -0.28 0.00 0.02 0.00 0.00 55.97 54.83 3cxh s LYS 45 Cb -0.15 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.26 3cxh s LYS 45 CO 0.07 0.48 1.15 -1.17 -0.92 0.00 0.00 175.35 174.96 3cxh s LEU 46 N -0.92 4.40 0.00 3.17 2.96 -1.26 -0.74 118.68 126.28 3cxh s LEU 46 Ca 0.10 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 3cxh s LEU 46 Cb -0.09 -3.79 0.00 0.00 0.50 0.00 0.00 46.19 42.81 3cxh s LEU 46 CO 0.01 -0.39 0.00 0.18 -1.32 0.00 0.00 176.35 174.83 3cxh n LEU 47 N 0.70 1.06 -3.83 -0.68 4.77 -0.57 -4.80 117.00 113.65 3cxh n LEU 47 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3cxh n LEU 47 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 3cxh n LEU 47 CO 0.53 0.12 -0.27 -0.63 -1.33 0.00 0.00 177.39 175.81 3cxh s ILE 48 N -1.91 -0.01 0.08 -0.08 -1.09 -1.08 -1.75 121.20 115.36 3cxh s ILE 48 Ca 0.00 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 3cxh s ILE 48 Cb 0.00 -0.13 -0.03 0.00 -1.58 0.00 0.00 42.46 40.72 3cxh s ILE 48 CO 0.00 0.01 -0.10 -0.72 -1.23 0.00 0.00 174.94 172.90 3cxh s TYR 49 N 0.24 1.00 -1.08 3.97 1.13 -0.50 0.09 117.35 122.20 3cxh s TYR 49 Ca -0.02 -0.61 -0.18 0.00 -1.41 0.00 0.00 57.07 54.86 3cxh s TYR 49 Cb -0.03 -0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 40.27 3cxh s TYR 49 CO -0.01 -0.02 0.77 0.98 -2.51 0.00 0.00 175.55 174.77 3cxh n TYR 50 N 0.80 -2.01 0.00 -3.49 4.19 -1.11 -2.11 117.16 113.43 3cxh n TYR 50 Ca -0.18 0.54 0.00 0.00 3.31 0.00 0.00 57.90 61.57 3cxh n TYR 50 Cb 0.57 -3.42 0.00 0.00 0.49 0.00 0.00 39.34 36.98 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 -3.85 0.00 0.00 2.97 5.66 -0.43 -3.61 114.28 115.02 3cxh n THR 51 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 3cxh n THR 51 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 0.39 -4.67 1.09 3.41 -1.23 -4.07 113.62 108.55 3cxh n SER 52 Ca 0.00 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3cxh n SER 52 Cb 0.00 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.17 4.21 0.45 4.33 0.52 -0.90 -4.88 118.95 122.52 3cxh s ARG 53 Ca 0.00 2.02 -0.22 0.00 -0.52 0.00 0.00 55.73 57.00 3cxh s ARG 53 Cb 0.00 -3.85 -0.08 0.00 0.52 0.00 0.00 34.95 31.54 3cxh s ARG 53 CO 0.00 -0.76 1.09 -0.51 0.02 0.00 0.00 175.30 175.14 3cxh s LEU 54 N 3.58 3.99 0.44 2.53 1.02 -1.26 -1.41 118.68 127.56 3cxh s LEU 54 Ca 0.67 2.10 -0.01 0.00 0.02 0.00 0.00 54.13 56.91 3cxh s LEU 54 Cb -0.30 -4.34 -0.02 0.00 0.02 0.00 0.00 46.19 41.55 3cxh s LEU 54 CO 0.25 -0.76 0.68 -2.28 0.02 0.00 0.00 176.35 174.26 3cxh s HIS 55 N -1.72 3.39 0.02 0.29 2.46 -0.72 -4.90 115.29 114.12 3cxh s HIS 55 Ca 0.63 0.43 -0.31 0.00 0.47 0.00 0.00 55.06 56.28 3cxh s HIS 55 Cb -0.23 -2.21 -0.10 0.00 -0.13 0.00 0.00 32.58 29.91 3cxh s HIS 55 CO 0.28 -0.23 1.95 0.00 -2.47 0.00 0.00 174.74 174.26 3cxh n ALA 56 N -2.07 1.51 0.00 1.58 0.00 -1.26 -2.20 120.51 118.07 3cxh n ALA 56 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3cxh n ALA 56 Cb 0.57 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.37 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 4.50 3.18 3.75 0.00 0.00 -1.26 -5.07 105.19 110.29 3cxh n GLY 57 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.76 4.33 0.67 1.61 -7.23 -0.94 -5.04 120.40 111.05 3cxh s VAL 58 Ca 0.00 1.93 -0.17 0.00 -1.81 0.00 0.00 61.98 61.92 3cxh s VAL 58 Cb 0.00 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.69 3cxh s VAL 58 CO 0.00 0.45 1.27 -2.65 -0.31 0.00 0.00 175.10 173.86 3cxh n PRO 59 N 1.97 0.97 0.26 4.82 -0.02 -1.26 -4.86 135.00 136.87 3cxh n PRO 59 Ca -0.02 0.39 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 3cxh n PRO 59 Cb 0.48 -2.51 0.67 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.31 0.00 0.27 2.55 4.64 -2.00 -2.93 113.55 116.39 3cxh h SER 60 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3cxh h SER 60 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3cxh h SER 60 CO 0.52 0.10 0.00 0.08 -0.87 0.00 0.00 176.83 176.66 3cxh h ARG 61 N 0.00 0.00 -6.64 4.77 0.11 -1.96 -3.40 114.38 107.26 3cxh h ARG 61 Ca -0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 3cxh h ARG 61 Cb 0.50 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.51 3cxh h ARG 61 CO 0.01 0.00 0.98 -0.06 0.10 0.00 0.00 179.97 181.00 3cxh s PHE 62 N -3.84 2.66 0.00 4.08 0.08 -1.11 -2.94 117.98 116.91 3cxh s PHE 62 Ca -0.02 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.64 3cxh s PHE 62 Cb 0.10 -4.44 0.00 0.00 -0.57 0.00 0.00 43.02 38.11 3cxh s PHE 62 CO 0.39 -1.51 0.00 0.43 -0.10 0.00 0.00 175.22 174.43 3cxh n SER 63 N 8.27 0.00 -0.09 1.36 7.64 -0.35 -4.98 113.62 125.48 3cxh n SER 63 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3cxh n SER 63 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3cxh n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cxh n GLY 64 N 5.00 0.14 0.00 0.23 0.00 -1.26 -4.58 105.19 104.71 3cxh n GLY 64 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3cxh n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cxh n SER 65 N 0.00 0.00 0.00 1.61 3.41 -1.25 -4.01 113.62 113.38 3cxh n SER 65 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3cxh n SER 65 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3cxh n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cxh n GLY 66 N 4.10 1.95 3.60 5.00 0.00 -1.26 -2.61 105.19 115.97 3cxh n GLY 66 Ca 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.19 0.00 1.61 1.04 -0.93 -4.98 113.70 110.24 3cxh s SER 67 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3cxh s SER 67 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3cxh s SER 67 CO 0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3cxh n GLY 68 N -0.28 1.10 0.00 7.32 0.00 -1.04 -2.89 105.19 109.40 3cxh n GLY 68 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.73 2.61 5.66 -1.26 -2.24 114.28 114.32 3cxh n THR 69 Ca 0.00 -0.07 -0.33 0.00 -3.05 0.00 0.00 64.05 60.60 3cxh n THR 69 Cb 0.00 0.54 -0.13 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.52 4.19 0.11 1.09 1.01 -1.14 -1.55 116.67 119.85 3cxh s ASP 70 Ca 0.00 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.03 3cxh s ASP 70 Cb 0.00 -1.45 -0.00 0.00 1.01 0.00 0.00 42.92 42.48 3cxh s ASP 70 CO 0.00 0.22 0.03 -1.22 0.21 0.00 0.00 175.17 174.41 3cxh n TYR 71 N 3.16 0.08 -3.83 4.23 4.02 -1.26 -2.20 117.16 121.36 3cxh n TYR 71 Ca -0.18 -0.64 -0.07 0.00 -0.01 0.00 0.00 57.90 56.99 3cxh n TYR 71 Cb 0.53 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3cxh n TYR 71 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3cxh s SER 72 N -1.63 -0.14 -0.36 7.72 0.15 -1.07 -3.95 113.70 114.42 3cxh s SER 72 Ca 0.04 -0.82 0.07 0.00 0.70 0.00 0.00 55.95 55.94 3cxh s SER 72 Cb 0.00 0.76 0.19 0.00 -1.71 0.00 0.00 66.02 65.26 3cxh s SER 72 CO 0.03 -1.46 0.60 -0.22 1.20 0.00 0.00 173.24 173.39 3cxh s LEU 73 N -3.00 -1.50 0.22 3.45 1.98 -1.23 -3.92 118.68 114.68 3cxh s LEU 73 Ca 0.13 -0.41 0.03 0.00 -2.89 0.00 0.00 54.13 50.99 3cxh s LEU 73 Cb -0.05 1.92 -0.03 0.00 0.66 0.00 0.00 46.19 48.68 3cxh s LEU 73 CO 0.09 -0.23 0.37 -0.89 -1.89 0.00 0.00 176.35 173.79 3cxh s THR 74 N 2.25 5.25 0.01 3.68 2.01 -1.26 -2.70 115.64 124.87 3cxh s THR 74 Ca 0.13 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.40 3cxh s THR 74 Cb -0.07 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 3cxh s THR 74 CO -0.15 -0.26 -0.02 -0.63 -0.69 0.00 0.00 174.62 172.87 3cxh s ILE 75 N -1.93 0.08 -0.10 1.82 1.01 -1.13 -1.21 121.20 119.75 3cxh s ILE 75 Ca 0.36 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.40 3cxh s ILE 75 Cb -0.10 -0.15 -0.16 0.00 0.01 0.00 0.00 42.46 42.07 3cxh s ILE 75 CO 0.30 -0.21 0.62 -1.28 0.00 0.00 0.00 174.94 174.36 3cxh h SER 76 N 5.48 -0.07 -3.42 3.58 0.87 -1.83 -3.30 113.55 114.86 3cxh h SER 76 Ca -0.28 -0.50 -0.31 0.00 -1.23 0.00 0.00 61.79 59.47 3cxh h SER 76 Cb 1.21 0.02 -0.35 0.00 -0.44 0.00 0.00 62.40 62.83 3cxh h SER 76 CO 0.47 0.63 -0.71 0.54 -0.53 0.00 0.00 176.83 177.23 3cxh s ASN 77 N -5.77 0.40 0.00 6.23 2.20 -1.25 -3.75 114.94 113.00 3cxh s ASN 77 Ca -0.12 0.11 0.00 0.00 -0.94 0.00 0.00 52.86 51.91 3cxh s ASN 77 Cb -0.01 -0.03 0.00 0.00 -2.00 0.00 0.00 41.25 39.21 3cxh s ASN 77 CO 0.44 -0.18 0.44 0.18 -2.94 0.00 0.00 177.10 175.04 3cxh n LEU 78 N 4.59 0.51 -4.65 3.54 4.32 -1.17 -4.80 117.00 119.35 3cxh n LEU 78 Ca -0.19 -0.26 -0.42 0.00 -0.02 0.00 0.00 56.01 55.12 3cxh n LEU 78 Cb 0.50 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 3cxh n LEU 78 CO 0.16 0.13 0.74 -0.70 -1.22 0.00 0.00 177.39 176.50 3cxh s GLU 79 N -1.26 4.24 0.11 3.23 2.12 -1.26 -4.09 118.70 121.79 3cxh s GLU 79 Ca 0.00 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.45 3cxh s GLU 79 Cb 0.00 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3cxh s GLU 79 CO 0.00 -0.52 0.00 -0.35 -0.54 0.00 0.00 175.26 173.85 3cxh n PRO 80 N 5.96 0.00 0.00 4.30 -0.04 -1.26 -4.85 135.00 139.11 3cxh n PRO 80 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3cxh n PRO 80 Cb 0.47 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 3cxh n PRO 80 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3cxh n GLU 81 N -3.46 0.79 0.00 0.54 0.00 -1.26 -4.31 120.64 112.94 3cxh n GLU 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3cxh n GLU 81 Cb 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.10 3cxh n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cxh n ASP 82 N 0.14 0.00 -4.58 -1.84 10.43 -1.26 -4.65 116.55 114.79 3cxh n ASP 82 Ca 0.00 0.22 -0.43 0.00 2.57 0.00 0.00 54.79 57.15 3cxh n ASP 82 Cb 0.21 -0.22 -0.03 0.00 1.84 0.00 0.00 41.12 42.92 3cxh n ASP 82 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 3cxh n ILE 83 N -1.20 0.27 -3.64 0.53 -5.35 -1.26 -4.87 119.36 103.84 3cxh n ILE 83 Ca 0.00 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 61.96 3cxh n ILE 83 Cb 0.01 -2.54 -0.01 0.00 -1.74 0.00 0.00 39.64 35.36 3cxh n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3cxh s ALA 84 N 8.87 -2.03 -0.27 -1.28 0.00 -1.25 -4.39 121.76 121.42 3cxh s ALA 84 Ca 1.01 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 53.57 3cxh s ALA 84 Cb -0.35 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3cxh s ALA 84 CO 0.35 -0.94 0.39 0.99 0.00 0.00 0.00 175.76 176.55 3cxh s THR 85 N -2.69 5.16 -0.29 0.00 2.01 -0.31 -3.08 115.64 116.44 3cxh s THR 85 Ca 0.12 0.61 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 3cxh s THR 85 Cb 0.02 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3cxh s THR 85 CO -0.03 0.14 0.21 -0.31 -0.69 0.00 0.00 174.62 173.94 3cxh s TYR 86 N 2.11 3.22 0.55 4.92 1.51 -0.48 -0.42 117.35 128.76 3cxh s TYR 86 Ca 0.16 0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.36 3cxh s TYR 86 Cb -0.16 -2.41 0.06 0.00 -0.11 0.00 0.00 41.96 39.35 3cxh s TYR 86 CO 0.10 -0.20 0.59 -0.06 -1.11 0.00 0.00 175.55 174.86 3cxh s PHE 87 N 1.76 1.55 -0.22 2.71 0.40 -0.71 -2.14 117.98 121.33 3cxh s PHE 87 Ca 0.07 -0.78 -0.13 0.00 -0.60 0.00 0.00 56.93 55.49 3cxh s PHE 87 Cb -0.16 -2.06 0.07 0.00 0.51 0.00 0.00 43.02 41.37 3cxh s PHE 87 CO 0.11 -0.79 0.54 0.00 0.70 0.00 0.00 175.22 175.78 3cxh s GLN 89 N 1.30 1.77 0.38 0.00 -2.07 -0.50 -1.13 119.66 119.41 3cxh s GLN 89 Ca -0.08 -1.91 0.05 0.00 -1.82 0.00 0.00 55.36 51.60 3cxh s GLN 89 Cb -0.06 -1.60 -0.06 0.00 -1.09 0.00 0.00 33.01 30.19 3cxh s GLN 89 CO -0.13 0.12 0.04 -3.38 -1.32 0.00 0.00 175.29 170.62 3cxh s HIS 90 N -2.69 2.19 -0.41 9.60 -3.43 -1.12 -0.05 115.29 119.38 3cxh s HIS 90 Ca 0.32 -0.85 0.07 0.00 -0.80 0.00 0.00 55.06 53.80 3cxh s HIS 90 Cb 0.03 -1.51 0.33 0.00 -1.43 0.00 0.00 32.58 30.00 3cxh s HIS 90 CO 0.16 0.19 1.26 -2.39 -2.00 0.00 0.00 174.74 171.96 3cxh n HIS 91 N -0.86 -2.28 0.52 0.38 1.44 -0.74 -4.19 115.22 109.50 3cxh n HIS 91 Ca -0.05 -1.80 0.11 0.00 -2.01 0.00 0.00 57.72 53.97 3cxh n HIS 91 Cb 0.67 1.55 -0.08 0.00 0.12 0.00 0.00 29.99 32.25 3cxh n HIS 91 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 3cxh n ILE 92 N -0.25 0.07 -3.50 0.61 -0.00 -1.26 -4.95 119.36 110.07 3cxh n ILE 92 Ca -0.03 -0.25 -0.13 0.00 -0.00 0.00 0.00 62.75 62.34 3cxh n ILE 92 Cb 0.78 0.38 -0.04 0.00 -0.00 0.00 0.00 39.64 40.76 3cxh n ILE 92 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 3cxh s LYS 93 N -3.24 0.97 0.14 6.28 2.20 -1.26 -5.16 119.74 119.66 3cxh s LYS 93 Ca 0.01 -0.06 -0.22 0.00 -0.36 0.00 0.00 55.97 55.34 3cxh s LYS 93 Cb 0.15 0.45 -0.07 0.00 -1.51 0.00 0.00 37.83 36.84 3cxh s LYS 93 CO 0.86 -0.36 0.68 -0.06 -0.36 0.00 0.00 175.35 176.10 3cxh s PHE 94 N -2.22 3.82 0.58 4.03 0.08 -1.26 -4.10 117.98 118.91 3cxh s PHE 94 Ca -0.03 1.44 -0.08 0.00 0.12 0.00 0.00 56.93 58.38 3cxh s PHE 94 Cb -0.01 -2.63 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 3cxh s PHE 94 CO -0.01 0.52 0.93 -1.25 -0.10 0.00 0.00 175.22 175.30 3cxh s PRO 95 N -1.28 3.34 0.55 0.24 0.04 -1.26 -4.81 135.00 131.82 3cxh s PRO 95 Ca 0.34 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 3cxh s PRO 95 Cb -0.20 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3cxh s PRO 95 CO 0.22 -0.54 0.94 -1.58 0.04 0.00 0.00 177.00 176.09 3cxh s TRP 96 N -3.02 3.57 -0.03 0.56 0.51 -1.26 -4.72 118.94 114.55 3cxh s TRP 96 Ca 0.53 1.19 -0.06 0.00 -2.12 0.00 0.00 56.10 55.64 3cxh s TRP 96 Cb -0.11 -2.61 0.01 0.00 -0.81 0.00 0.00 33.47 29.95 3cxh s TRP 96 CO 0.49 -0.48 0.15 0.99 -0.51 0.00 0.00 176.95 177.59 3cxh s THR 97 N -2.90 0.03 0.34 2.01 2.01 -1.26 -5.00 115.64 110.87 3cxh s THR 97 Ca 0.54 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.32 3cxh s THR 97 Cb -0.11 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 3cxh s THR 97 CO 0.46 -0.16 0.37 -0.36 -0.69 0.00 0.00 174.62 174.24 3cxh s PHE 98 N -0.52 2.99 0.78 4.92 0.08 -1.26 -2.78 117.98 122.18 3cxh s PHE 98 Ca -0.06 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 56.67 3cxh s PHE 98 Cb -0.04 -1.89 0.16 0.00 -0.57 0.00 0.00 43.02 40.69 3cxh s PHE 98 CO 0.01 0.09 1.06 0.41 -0.10 0.00 0.00 175.22 176.70 3cxh n GLY 99 N -1.49 0.04 0.11 4.36 0.00 -0.29 -4.30 105.19 103.61 3cxh n GLY 99 Ca -0.01 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.95 0.01 0.00 4.61 0.00 -1.89 -3.45 119.26 117.59 3cxh h ALA 100 Ca -0.35 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3cxh h ALA 100 Cb 1.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3cxh h ALA 100 CO 0.33 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.46 3cxh n GLY 101 N -1.19 1.89 3.58 0.00 0.00 -1.26 -5.06 105.19 103.15 3cxh n GLY 101 Ca -0.05 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 4.06 1.03 2.61 2.01 -0.91 -4.63 115.64 119.81 3cxh s THR 102 Ca 0.00 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 62.72 3cxh s THR 102 Cb 0.00 -4.70 0.20 0.00 0.01 0.00 0.00 72.50 68.01 3cxh s THR 102 CO 0.00 -1.30 1.15 -0.75 -0.69 0.00 0.00 174.62 173.03 3cxh s LYS 103 N 4.83 0.18 -0.25 4.92 2.20 -1.26 -1.38 119.74 128.98 3cxh s LYS 103 Ca 0.42 0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 56.04 3cxh s LYS 103 Cb -0.08 -1.74 0.09 0.00 -1.51 0.00 0.00 37.83 34.59 3cxh s LYS 103 CO 0.25 -2.81 0.57 -1.17 -0.36 0.00 0.00 175.35 171.82 3cxh s LEU 104 N -6.38 -0.78 0.37 5.43 2.96 -1.18 -3.58 118.68 115.52 3cxh s LEU 104 Ca 0.68 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.94 3cxh s LEU 104 Cb -0.12 1.94 -0.03 0.00 0.50 0.00 0.00 46.19 48.48 3cxh s LEU 104 CO 0.55 -0.22 0.18 -1.61 -1.32 0.00 0.00 176.35 173.93 3cxh s GLU 105 N 2.18 1.84 -0.42 1.98 2.02 -0.73 -3.75 118.70 121.83 3cxh s GLU 105 Ca -0.07 -2.10 0.02 0.00 0.02 0.00 0.00 54.97 52.84 3cxh s GLU 105 Cb -0.09 -0.23 0.15 0.00 0.10 0.00 0.00 34.13 34.06 3cxh s GLU 105 CO -0.17 -0.54 0.29 0.96 0.02 0.00 0.00 175.26 175.82 3cxh s ILE 106 N -3.33 0.65 0.00 -1.63 -4.36 -1.26 -3.01 121.20 108.26 3cxh s ILE 106 Ca 0.30 -2.41 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3cxh s ILE 106 Cb 0.03 -1.46 0.00 0.00 1.25 0.00 0.00 42.46 42.28 3cxh s ILE 106 CO 0.19 -1.07 0.00 1.17 0.24 0.00 0.00 174.94 175.47