#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c n LYS 13 N 0.00 0.47 -2.19 2.89 4.81 -1.09 -4.93 118.16 118.12 3e1c n LYS 13 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 3e1c n LYS 13 Cb 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 35.03 34.53 3e1c n LYS 13 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3e1c n GLN 14 N -0.46 -1.79 0.24 1.64 3.00 0.17 -4.85 117.38 115.33 3e1c n GLN 14 Ca 0.00 0.87 0.17 0.00 -0.01 0.00 0.00 57.00 58.03 3e1c n GLN 14 Cb 0.00 -5.43 0.87 0.00 0.00 0.00 0.00 30.24 25.68 3e1c n GLN 14 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 3e1c h VAL 15 N 0.00 0.44 0.00 5.09 3.04 -1.59 -3.47 116.25 119.76 3e1c h VAL 15 Ca -0.39 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 3e1c h VAL 15 Cb 1.25 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3e1c h VAL 15 CO 0.49 0.00 0.00 -0.24 -1.01 0.00 0.00 177.57 176.81 3e1c n SER 16 N -3.74 0.00 -4.65 3.17 2.88 -0.09 -4.93 113.62 106.25 3e1c n SER 16 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 3e1c n SER 16 Cb 0.26 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 3e1c n SER 16 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3e1c s ASP 17 N 0.00 4.65 0.00 -3.46 1.01 -1.26 -0.50 116.67 117.11 3e1c s ASP 17 Ca 0.00 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 52.77 3e1c s ASP 17 Cb 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 43.00 3e1c s ASP 17 CO 0.00 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.05 3e1c n GLY 18 N -0.36 3.18 3.09 0.21 0.00 -0.73 -3.82 105.19 106.76 3e1c n GLY 18 Ca -0.09 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3e1c n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e1c s VAL 19 N -2.60 -0.03 -0.83 1.61 1.01 0.05 -2.12 120.40 117.48 3e1c s VAL 19 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 3e1c s VAL 19 Cb 0.00 -0.40 0.22 0.00 0.00 0.00 0.00 36.38 36.20 3e1c s VAL 19 CO 0.00 0.05 0.78 0.00 0.00 0.00 0.00 175.10 175.93 3e1c s ALA 20 N 1.15 4.07 -0.87 5.51 0.00 0.10 -1.99 121.76 129.74 3e1c s ALA 20 Ca -0.08 -3.32 -0.25 0.00 0.00 0.00 0.00 51.96 48.31 3e1c s ALA 20 Cb -0.09 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 3e1c s ALA 20 CO -0.08 -2.29 2.00 -1.01 0.00 0.00 0.00 175.76 174.38 3e1c s HIS 21 N 0.20 1.72 -0.80 0.00 3.76 -0.36 -1.48 115.29 118.33 3e1c s HIS 21 Ca 0.18 0.80 -0.20 0.00 -0.15 0.00 0.00 55.06 55.70 3e1c s HIS 21 Cb -0.10 -3.97 0.11 0.00 1.11 0.00 0.00 32.58 29.73 3e1c s HIS 21 CO -0.09 -1.76 1.00 0.96 -0.85 0.00 0.00 174.74 174.00 3e1c s ILE 22 N 10.59 4.66 -0.65 0.60 -0.00 -1.26 -2.17 121.20 132.97 3e1c s ILE 22 Ca 0.73 -1.17 -0.26 0.00 -0.00 0.00 0.00 60.65 59.95 3e1c s ILE 22 Cb -0.08 -4.70 -0.07 0.00 -0.00 0.00 0.00 42.46 37.62 3e1c s ILE 22 CO 0.01 -1.42 2.20 -1.00 -0.00 0.00 0.00 174.94 174.74 3e1c s HIS 23 N 2.98 1.34 0.08 1.37 3.76 -1.04 -4.56 115.29 119.23 3e1c s HIS 23 Ca 0.26 1.32 -0.28 0.00 -0.15 0.00 0.00 55.06 56.21 3e1c s HIS 23 Cb -0.11 -3.75 -0.17 0.00 1.11 0.00 0.00 32.58 29.66 3e1c s HIS 23 CO -0.01 -2.16 1.69 0.00 -0.85 0.00 0.00 174.74 173.41 3e1c h ALA 24 N 15.75 -0.42 -2.62 -1.40 0.00 -0.75 -0.24 119.26 129.59 3e1c h ALA 24 Ca -0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3e1c h ALA 24 Cb 1.15 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 3e1c h ALA 24 CO 1.15 -0.74 -0.16 0.45 0.00 0.00 0.00 179.25 179.95 3e1c s SER 25 N -4.82 -0.18 0.00 0.00 0.15 0.75 -3.35 113.70 106.26 3e1c s SER 25 Ca -0.15 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.25 3e1c s SER 25 Cb 0.05 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3e1c s SER 25 CO 0.64 -0.74 0.38 0.49 1.20 0.00 0.00 173.24 175.22 3e1c n PHE 26 N 0.16 0.00 0.00 3.44 3.01 -1.25 -2.75 117.46 120.07 3e1c n PHE 26 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3e1c n PHE 26 Cb 0.62 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 3e1c n PHE 26 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3e1c n ASN 27 N -0.88 1.70 -1.16 4.37 3.02 -1.26 -4.99 115.26 116.05 3e1c n ASN 27 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3e1c n ASN 27 Cb 0.10 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3e1c n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3e1c n ASN 28 N -0.97 -0.19 -3.68 6.41 5.15 -1.11 -4.09 115.26 116.77 3e1c n ASN 28 Ca 0.00 -1.15 -0.16 0.00 -0.60 0.00 0.00 54.58 52.67 3e1c n ASN 28 Cb 0.16 0.33 -0.15 0.00 -0.53 0.00 0.00 39.78 39.58 3e1c n ASN 28 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3e1c s THR 29 N -2.85 -0.24 -0.42 -0.44 2.01 -1.26 -0.18 115.64 112.25 3e1c s THR 29 Ca 0.02 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.35 3e1c s THR 29 Cb -0.00 -0.30 0.14 0.00 0.01 0.00 0.00 72.50 72.34 3e1c s THR 29 CO 0.01 0.13 0.24 -0.63 -0.69 0.00 0.00 174.62 173.68 3e1c s ILE 30 N 2.12 1.17 -0.34 1.82 1.09 -0.10 -0.98 121.20 125.97 3e1c s ILE 30 Ca 0.01 -2.41 -0.29 0.00 -1.10 0.00 0.00 60.65 56.85 3e1c s ILE 30 Cb -0.12 -1.82 0.00 0.00 -1.06 0.00 0.00 42.46 39.46 3e1c s ILE 30 CO -0.06 -0.92 1.38 -0.69 -0.10 0.00 0.00 174.94 174.55 3e1c s VAL 31 N 0.47 3.99 -0.33 2.92 1.01 -0.91 -2.49 120.40 125.06 3e1c s VAL 31 Ca 0.18 1.08 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 3e1c s VAL 31 Cb -0.23 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.07 3e1c s VAL 31 CO -0.00 -0.57 0.07 -0.89 0.00 0.00 0.00 175.10 173.71 3e1c s THR 32 N 4.91 3.45 -0.47 3.92 2.01 -0.92 -0.77 115.64 127.77 3e1c s THR 32 Ca 0.60 -1.26 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 3e1c s THR 32 Cb -0.16 -2.98 0.08 0.00 0.01 0.00 0.00 72.50 69.45 3e1c s THR 32 CO 0.28 -0.16 0.38 -0.63 -0.69 0.00 0.00 174.62 173.80 3e1c s ILE 33 N 1.34 5.04 0.07 1.82 -1.09 -0.20 -1.23 121.20 126.94 3e1c s ILE 33 Ca -0.03 -1.19 0.01 0.00 -2.23 0.00 0.00 60.65 57.21 3e1c s ILE 33 Cb -0.20 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 3e1c s ILE 33 CO 0.01 -0.61 0.18 0.42 -1.23 0.00 0.00 174.94 173.71 3e1c s THR 34 N 1.59 5.15 0.91 2.92 -4.23 -0.84 -1.70 115.64 119.45 3e1c s THR 34 Ca 0.04 -0.50 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 3e1c s THR 34 Cb -0.25 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.30 3e1c s THR 34 CO 0.05 0.13 1.04 -0.90 -0.54 0.00 0.00 174.62 174.41 3e1c n ASP 35 N 0.32 -0.72 0.11 3.99 5.75 -0.40 -0.77 116.55 124.83 3e1c n ASP 35 Ca -0.06 -1.27 0.07 0.00 -0.01 0.00 0.00 54.79 53.52 3e1c n ASP 35 Cb 0.51 -0.86 0.38 0.00 -1.03 0.00 0.00 41.12 40.13 3e1c n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3e1c n ARG 36 N -3.76 0.09 -0.10 0.11 -4.01 -1.25 -1.94 116.66 105.80 3e1c n ARG 36 Ca 0.14 0.58 -0.13 0.00 -1.04 0.00 0.00 57.85 57.40 3e1c n ARG 36 Cb 0.49 -1.85 -0.11 0.00 -3.04 0.00 0.00 32.46 27.95 3e1c n ARG 36 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 3e1c n GLN 37 N -1.99 0.80 0.00 2.89 -0.06 -1.26 -5.05 117.38 112.70 3e1c n GLN 37 Ca -0.01 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 3e1c n GLN 37 Cb 0.07 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 3e1c n GLN 37 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3e1c n GLY 38 N 2.26 1.37 3.93 1.69 0.00 -0.82 -5.15 105.19 108.47 3e1c n GLY 38 Ca -0.35 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 3e1c n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1c s ASN 39 N -2.00 5.88 0.55 1.61 4.22 -1.26 -4.75 114.94 119.19 3e1c s ASN 39 Ca 0.00 0.58 -0.21 0.00 -2.14 0.00 0.00 52.86 51.08 3e1c s ASN 39 Cb 0.00 -1.78 -0.05 0.00 1.28 0.00 0.00 41.25 40.71 3e1c s ASN 39 CO 0.00 -0.76 1.30 0.00 -2.04 0.00 0.00 177.10 175.60 3e1c s ALA 40 N -2.72 2.75 0.13 3.54 0.00 -1.26 -1.28 121.76 122.93 3e1c s ALA 40 Ca 0.49 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3e1c s ALA 40 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3e1c s ALA 40 CO 0.42 -1.27 0.00 -0.11 0.00 0.00 0.00 175.76 174.80 3e1c n LEU 41 N -1.12 -0.27 -3.98 0.00 0.00 -1.04 -4.72 117.00 105.86 3e1c n LEU 41 Ca 0.11 0.23 -0.10 0.00 0.00 0.00 0.00 56.01 56.25 3e1c n LEU 41 Cb 0.46 0.38 -0.04 0.00 0.00 0.00 0.00 43.42 44.23 3e1c n LEU 41 CO 0.50 -0.57 0.25 -0.83 0.00 0.00 0.00 177.39 176.74 3e1c s GLY 42 N -4.68 0.66 0.06 -3.96 0.00 -0.69 -4.83 107.32 93.89 3e1c s GLY 42 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 3e1c s GLY 42 CO 0.00 -0.61 0.08 0.66 0.00 0.00 0.00 173.10 173.23 3e1c s TRP 43 N -3.54 0.32 0.33 1.90 1.48 -1.26 -1.03 118.94 117.15 3e1c s TRP 43 Ca 0.22 -0.78 -0.17 0.00 -1.06 0.00 0.00 56.10 54.30 3e1c s TRP 43 Cb -0.02 -0.22 0.04 0.00 -1.16 0.00 0.00 33.47 32.11 3e1c s TRP 43 CO 0.12 -0.44 0.74 0.00 -4.06 0.00 0.00 176.95 173.30 3e1c s ALA 44 N -3.67 -0.88 0.11 2.67 0.00 0.05 -4.51 121.76 115.54 3e1c s ALA 44 Ca 0.04 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3e1c s ALA 44 Cb 0.05 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 3e1c s ALA 44 CO -0.09 -1.00 -0.02 -0.08 0.00 0.00 0.00 175.76 174.57 3e1c s THR 45 N -3.11 0.49 -0.03 0.00 -1.32 -1.26 -2.15 115.64 108.26 3e1c s THR 45 Ca 0.14 -1.92 -0.14 0.00 -1.21 0.00 0.00 61.69 58.57 3e1c s THR 45 Cb -0.05 -1.82 -0.08 0.00 -1.51 0.00 0.00 72.50 69.04 3e1c s THR 45 CO 0.10 -0.73 0.61 0.00 -2.21 0.00 0.00 174.62 172.39 3e1c h ALA 46 N 2.92 -0.54 0.24 11.08 0.00 -1.34 -3.32 119.26 128.30 3e1c h ALA 46 Ca -0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3e1c h ALA 46 Cb 1.18 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3e1c h ALA 46 CO 0.63 -0.50 -0.12 0.78 0.00 0.00 0.00 179.25 180.05 3e1c h GLY 47 N -1.06 -0.34 0.06 0.00 0.00 -1.85 -2.78 103.07 97.11 3e1c h GLY 47 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3e1c h GLY 47 CO 0.09 -0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.11 3e1c n GLY 48 N -0.86 -0.56 0.34 4.60 0.00 -1.26 -1.19 105.19 106.25 3e1c n GLY 48 Ca -0.09 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3e1c n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3e1c n SER 49 N -0.39 1.42 0.00 1.61 2.88 -1.11 -4.94 113.62 113.08 3e1c n SER 49 Ca 0.14 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 3e1c n SER 49 Cb 0.15 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3e1c n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3e1c n GLY 50 N 1.38 0.58 0.08 0.46 0.00 -1.05 -5.06 105.19 101.58 3e1c n GLY 50 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 3e1c n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3e1c n PHE 51 N 0.00 0.00 -1.50 1.61 0.99 -0.67 -4.99 117.46 112.90 3e1c n PHE 51 Ca 0.00 -0.38 -0.33 0.00 -0.00 0.00 0.00 57.45 56.75 3e1c n PHE 51 Cb 0.00 -0.05 -0.18 0.00 -1.00 0.00 0.00 39.48 38.25 3e1c n PHE 51 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3e1c n ARG 52 N -0.46 0.02 -3.60 -1.08 0.63 -0.34 -3.83 116.66 108.01 3e1c n ARG 52 Ca 0.03 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3e1c n ARG 52 Cb 0.45 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.02 3e1c n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3e1c n GLY 53 N 6.08 -1.86 1.87 5.14 0.00 -1.26 -5.00 105.19 110.15 3e1c n GLY 53 Ca 0.66 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 3e1c n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3e1c n SER 54 N 1.81 2.87 0.00 1.61 7.64 -1.26 -3.54 113.62 122.75 3e1c n SER 54 Ca 0.00 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.05 3e1c n SER 54 Cb 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 3e1c n SER 54 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3e1c n ARG 55 N 2.00 0.00 0.00 1.43 1.85 -1.26 -4.94 116.66 115.74 3e1c n ARG 55 Ca 0.06 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.04 3e1c n ARG 55 Cb 0.33 -0.03 0.29 0.00 -1.05 0.00 0.00 32.46 32.00 3e1c n ARG 55 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3e1c n LYS 56 N 0.00 0.10 -3.18 2.89 2.85 -1.23 -4.30 118.16 115.29 3e1c n LYS 56 Ca 0.00 -0.05 -0.44 0.00 -1.05 0.00 0.00 58.31 56.77 3e1c n LYS 56 Cb 0.02 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 3e1c n LYS 56 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3e1c n SER 57 N -1.41 5.93 -4.18 -5.58 2.88 -1.26 -4.18 113.62 105.82 3e1c n SER 57 Ca 0.06 -3.21 -0.11 0.00 -1.33 0.00 0.00 58.87 54.29 3e1c n SER 57 Cb 0.34 -1.33 -0.10 0.00 -0.75 0.00 0.00 64.21 62.36 3e1c n SER 57 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3e1c s THR 58 N -1.93 0.59 0.63 2.46 -4.23 -1.26 -5.02 115.64 106.88 3e1c s THR 58 Ca 0.31 -1.93 0.37 0.00 -1.18 0.00 0.00 61.69 59.26 3e1c s THR 58 Cb -0.03 -1.83 0.40 0.00 1.34 0.00 0.00 72.50 72.38 3e1c s THR 58 CO 0.00 -0.73 2.31 -0.65 -0.54 0.00 0.00 174.62 175.01 3e1c h PRO 59 N 2.90 0.00 0.00 3.99 0.11 -1.95 0.60 132.00 137.65 3e1c h PRO 59 Ca -0.36 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.57 3e1c h PRO 59 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3e1c h PRO 59 CO 0.64 0.00 -0.98 0.74 -0.21 0.00 0.00 178.00 178.18 3e1c h PHE 60 N 0.00 0.00 -0.79 0.65 -1.00 -1.98 -2.82 116.94 111.00 3e1c h PHE 60 Ca 0.00 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.84 3e1c h PHE 60 Cb 0.03 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.53 3e1c h PHE 60 CO 0.00 1.38 0.47 0.00 -1.61 0.00 0.00 178.31 178.56 3e1c h ALA 61 N -0.39 1.07 0.28 2.45 0.00 -1.81 -2.96 119.26 117.91 3e1c h ALA 61 Ca -0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3e1c h ALA 61 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3e1c h ALA 61 CO -0.17 0.20 -0.13 0.00 0.00 0.00 0.00 179.25 179.15 3e1c h ALA 62 N 1.38 -0.37 0.00 0.00 0.00 -0.97 -2.17 119.26 117.13 3e1c h ALA 62 Ca 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3e1c h ALA 62 Cb 0.17 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3e1c h ALA 62 CO -0.17 -0.70 -0.08 -0.56 0.00 0.00 0.00 179.25 177.74 3e1c h GLN 63 N -0.40 0.00 0.29 0.00 3.07 -1.42 -0.24 115.11 116.42 3e1c h GLN 63 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 3e1c h GLN 63 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3e1c h GLN 63 CO 0.06 0.08 -0.14 0.28 0.09 0.00 0.00 178.83 179.21 3e1c h VAL 64 N 0.00 0.00 -0.82 1.86 2.07 -1.37 -2.06 116.25 115.93 3e1c h VAL 64 Ca -0.00 -0.27 0.31 0.00 0.82 0.00 0.00 66.70 67.56 3e1c h VAL 64 Cb 0.33 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.95 3e1c h VAL 64 CO 0.01 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.94 3e1c n ALA 65 N -2.40 0.74 -0.06 1.67 0.00 -0.83 -0.59 120.51 119.04 3e1c n ALA 65 Ca -0.05 0.85 -0.11 0.00 0.00 0.00 0.00 53.44 54.12 3e1c n ALA 65 Cb 0.15 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 3e1c n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1c h ALA 66 N 1.64 0.24 -0.01 0.00 0.00 -1.13 -3.31 119.26 116.69 3e1c h ALA 66 Ca 0.65 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 55.22 3e1c h ALA 66 Cb 1.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3e1c h ALA 66 CO -0.67 -0.10 -0.77 1.49 0.00 0.00 0.00 179.25 179.21 3e1c h GLU 67 N 0.09 0.07 0.00 0.00 4.81 -0.09 -3.02 114.58 116.44 3e1c h GLU 67 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3e1c h GLU 67 Cb 0.31 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3e1c h GLU 67 CO 0.00 0.80 0.00 0.54 -0.73 0.00 0.00 179.01 179.62 3e1c n ARG 68 N -3.67 0.10 -0.05 1.92 3.00 -0.12 -2.63 116.66 115.21 3e1c n ARG 68 Ca -0.02 0.33 -0.13 0.00 -0.01 0.00 0.00 57.85 58.02 3e1c n ARG 68 Cb 0.74 -1.69 -0.12 0.00 0.00 0.00 0.00 32.46 31.39 3e1c n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3e1c h ALA 70 N 0.10 1.70 -0.35 0.00 0.00 -1.39 -2.70 119.26 116.63 3e1c h ALA 70 Ca -0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3e1c h ALA 70 Cb 0.81 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3e1c h ALA 70 CO 0.00 0.01 -0.00 -0.44 0.00 0.00 0.00 179.25 178.82 3e1c h ASP 71 N 0.80 -0.14 0.97 0.00 3.45 -1.75 -1.54 116.42 118.20 3e1c h ASP 71 Ca 0.51 0.08 -0.21 0.00 0.43 0.00 0.00 57.03 57.84 3e1c h ASP 71 Cb 0.72 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.60 3e1c h ASP 71 CO -0.28 -0.04 -1.06 0.00 -1.57 0.00 0.00 179.24 176.30 3e1c h ALA 72 N 1.31 0.44 -0.32 3.45 0.00 -1.76 -3.36 119.26 119.01 3e1c h ALA 72 Ca 0.17 -0.94 0.08 0.00 0.00 0.00 0.00 54.91 54.22 3e1c h ALA 72 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3e1c h ALA 72 CO -0.29 1.23 0.23 0.28 0.00 0.00 0.00 179.25 180.70 3e1c h VAL 73 N 0.00 0.87 -0.99 0.00 2.07 -1.14 -2.19 116.25 114.87 3e1c h VAL 73 Ca -0.05 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.64 3e1c h VAL 73 Cb 1.77 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 32.24 3e1c h VAL 73 CO 0.12 0.01 0.61 0.50 0.02 0.00 0.00 177.57 178.83 3e1c h LYS 74 N 0.07 0.68 -0.00 1.57 1.63 -1.52 -2.98 116.57 116.01 3e1c h LYS 74 Ca 0.15 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.74 3e1c h LYS 74 Cb 0.51 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3e1c h LYS 74 CO -0.01 0.45 -0.79 1.49 -3.45 0.00 0.00 179.45 177.13 3e1c h GLU 75 N 0.70 0.05 -0.15 1.90 4.81 -1.64 -3.30 114.58 116.96 3e1c h GLU 75 Ca 0.56 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 3e1c h GLU 75 Cb 0.95 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3e1c h GLU 75 CO -0.33 0.82 0.00 0.66 -0.73 0.00 0.00 179.01 179.42 3e1c n TYR 76 N -3.63 0.00 -3.15 0.92 4.02 -1.13 -0.62 117.16 113.57 3e1c n TYR 76 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.74 3e1c n TYR 76 Cb 0.76 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 40.13 3e1c n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3e1c n GLY 77 N 0.40 -1.07 3.00 2.72 0.00 -1.24 -0.66 105.19 108.34 3e1c n GLY 77 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 3e1c n GLY 77 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3e1c s ILE 78 N -3.35 1.56 -0.08 -0.61 -1.16 -1.26 -0.92 121.20 115.38 3e1c s ILE 78 Ca 0.42 -0.75 0.14 0.00 -0.51 0.00 0.00 60.65 59.94 3e1c s ILE 78 Cb -0.05 -1.54 -0.23 0.00 0.61 0.00 0.00 42.46 41.24 3e1c s ILE 78 CO 0.70 0.34 0.55 0.29 -2.81 0.00 0.00 174.94 174.01 3e1c n LYS 79 N 4.75 0.64 -3.84 3.50 5.02 0.35 -4.92 118.16 123.66 3e1c n LYS 79 Ca -0.16 0.23 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 3e1c n LYS 79 Cb 0.49 -1.74 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3e1c n LYS 79 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3e1c s ASN 80 N -5.96 0.07 0.20 4.39 4.22 -1.14 -4.02 114.94 112.70 3e1c s ASN 80 Ca -0.06 -0.64 -0.14 0.00 -2.14 0.00 0.00 52.86 49.88 3e1c s ASN 80 Cb 0.08 0.37 0.01 0.00 1.28 0.00 0.00 41.25 42.98 3e1c s ASN 80 CO 0.83 -0.77 0.44 -1.48 -2.04 0.00 0.00 177.10 174.08 3e1c s LEU 81 N -2.87 0.40 0.37 3.54 0.05 -0.98 -1.77 118.68 117.42 3e1c s LEU 81 Ca 0.06 -0.70 0.08 0.00 0.05 0.00 0.00 54.13 53.62 3e1c s LEU 81 Cb 0.04 1.78 -0.05 0.00 -2.05 0.00 0.00 46.19 45.91 3e1c s LEU 81 CO -0.10 -1.03 0.10 -1.83 -0.55 0.00 0.00 176.35 172.94 3e1c s GLU 82 N -3.94 2.18 -0.19 1.48 -1.05 -0.90 -1.31 118.70 114.97 3e1c s GLU 82 Ca 0.15 -1.78 -0.02 0.00 -0.15 0.00 0.00 54.97 53.16 3e1c s GLU 82 Cb 0.00 -1.97 -0.01 0.00 -0.44 0.00 0.00 34.13 31.71 3e1c s GLU 82 CO 0.01 0.02 -0.08 0.08 0.95 0.00 0.00 175.26 176.24 3e1c s VAL 83 N -2.55 3.21 -0.39 1.83 1.01 0.89 0.03 120.40 124.43 3e1c s VAL 83 Ca 0.38 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 3e1c s VAL 83 Cb 0.02 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 34.07 3e1c s VAL 83 CO 0.21 0.47 0.17 -0.04 0.00 0.00 0.00 175.10 175.91 3e1c s MET 84 N 1.07 2.20 -0.89 2.72 -1.94 -0.55 -0.72 119.30 121.20 3e1c s MET 84 Ca 0.00 -1.63 -0.21 0.00 -1.71 0.00 0.00 55.69 52.14 3e1c s MET 84 Cb -0.15 -3.54 0.09 0.00 2.01 0.00 0.00 34.83 33.25 3e1c s MET 84 CO -0.01 -0.95 1.19 0.08 -0.01 0.00 0.00 175.02 175.31 3e1c s VAL 85 N 1.22 4.37 -0.80 -6.03 1.01 -0.80 -4.27 120.40 115.10 3e1c s VAL 85 Ca 0.04 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.10 3e1c s VAL 85 Cb -0.22 -4.84 0.09 0.00 0.00 0.00 0.00 36.38 31.40 3e1c s VAL 85 CO -0.02 -1.64 0.83 0.29 0.00 0.00 0.00 175.10 174.56 3e1c n LYS 86 N 7.58 0.68 -3.13 2.72 5.02 -1.26 -1.71 118.16 128.06 3e1c n LYS 86 Ca 0.20 -1.14 -0.22 0.00 -2.02 0.00 0.00 58.31 55.13 3e1c n LYS 86 Cb 0.49 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 34.30 3e1c n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1c n GLY 87 N 0.33 2.43 3.94 0.72 0.00 -1.26 -4.79 105.19 106.55 3e1c n GLY 87 Ca 0.05 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 3e1c n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3e1c s PRO 88 N -0.88 0.98 0.00 1.61 0.04 -1.26 -0.12 135.00 135.38 3e1c s PRO 88 Ca 0.35 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.95 3e1c s PRO 88 Cb 0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.78 3e1c s PRO 88 CO -0.13 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.17 3e1c n GLY 89 N -3.56 1.29 3.62 0.56 0.00 -1.26 -3.84 105.19 102.00 3e1c n GLY 89 Ca 0.14 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 3e1c n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3e1c n PRO 90 N -1.87 2.31 -3.93 1.61 -0.02 -1.26 -1.21 135.00 130.63 3e1c n PRO 90 Ca 0.00 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 3e1c n PRO 90 Cb 0.00 -3.13 -0.15 0.00 -0.02 0.00 0.00 33.50 30.20 3e1c n PRO 90 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3e1c s GLY 91 N 6.75 1.41 0.51 -1.23 0.00 -1.21 -2.15 107.32 111.39 3e1c s GLY 91 Ca 0.96 -1.67 0.44 0.00 0.00 0.00 0.00 44.72 44.45 3e1c s GLY 91 CO 0.38 1.02 1.40 -2.13 0.00 0.00 0.00 173.10 173.78 3e1c n ARG 92 N 4.60 0.00 0.00 2.90 3.00 -0.35 -1.25 116.66 125.57 3e1c n ARG 92 Ca -0.07 0.98 0.00 0.00 -0.00 0.00 0.00 57.85 58.76 3e1c n ARG 92 Cb 0.43 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.60 3e1c n ARG 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3e1c n GLU 93 N -3.68 -0.48 -0.07 -0.14 4.71 -1.26 -4.75 120.64 114.97 3e1c n GLU 93 Ca 0.39 -0.25 -0.14 0.00 -0.01 0.00 0.00 57.16 57.14 3e1c n GLU 93 Cb 1.80 -0.75 -0.05 0.00 -1.01 0.00 0.00 31.44 31.43 3e1c n GLU 93 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3e1c h SER 94 N 0.00 0.75 0.00 1.62 4.64 -1.58 -1.48 113.55 117.49 3e1c h SER 94 Ca 0.00 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3e1c h SER 94 Cb 0.24 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3e1c h SER 94 CO 0.00 1.13 0.00 0.35 -0.87 0.00 0.00 176.83 177.44 3e1c n THR 95 N -4.22 0.00 -0.16 2.95 -2.24 -1.25 -2.37 114.28 106.98 3e1c n THR 95 Ca -0.05 1.48 -0.07 0.00 -2.27 0.00 0.00 64.05 63.13 3e1c n THR 95 Cb 0.53 -1.98 -0.02 0.00 -2.10 0.00 0.00 70.33 66.77 3e1c n THR 95 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3e1c h ILE 96 N 0.00 0.16 -0.08 2.28 2.04 -1.76 -2.71 117.51 117.44 3e1c h ILE 96 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3e1c h ILE 96 Cb 0.00 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 3e1c h ILE 96 CO 0.00 0.00 -0.28 0.03 0.00 0.00 0.00 178.15 177.90 3e1c h ARG 97 N -0.23 -0.37 -0.89 2.37 3.08 -1.22 -2.31 114.38 114.80 3e1c h ARG 97 Ca 0.19 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3e1c h ARG 97 Cb 0.56 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 3e1c h ARG 97 CO -0.62 -0.25 0.59 0.00 -1.07 0.00 0.00 179.97 178.62 3e1c h ALA 98 N 0.46 1.14 0.17 0.04 0.00 -1.44 -2.16 119.26 117.46 3e1c h ALA 98 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3e1c h ALA 98 Cb 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3e1c h ALA 98 CO -0.30 0.53 -0.08 -0.07 0.00 0.00 0.00 179.25 179.33 3e1c h LEU 99 N 1.20 -0.19 -0.51 0.00 3.38 -1.12 -1.53 115.31 116.55 3e1c h LEU 99 Ca 0.33 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3e1c h LEU 99 Cb -0.13 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3e1c h LEU 99 CO -0.08 0.01 0.25 -1.13 0.09 0.00 0.00 178.44 177.58 3e1c h ASN 100 N -0.38 0.35 -0.85 -0.43 -1.24 -1.44 -2.20 115.58 109.38 3e1c h ASN 100 Ca -0.02 0.03 0.07 0.00 0.71 0.00 0.00 56.30 57.09 3e1c h ASN 100 Cb 0.30 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.27 3e1c h ASN 100 CO 0.04 0.24 0.56 0.00 -1.29 0.00 0.00 177.43 176.97 3e1c h ALA 101 N 1.28 1.58 0.00 1.57 0.00 -1.43 -1.09 119.26 121.17 3e1c h ALA 101 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3e1c h ALA 101 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3e1c h ALA 101 CO -0.17 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3e1c n ALA 102 N -2.41 2.46 0.00 0.00 0.00 -0.58 -4.87 120.51 115.11 3e1c n ALA 102 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3e1c n ALA 102 Cb 0.21 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3e1c n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1c n GLY 103 N 0.56 1.99 3.30 0.00 0.00 -0.42 -4.97 105.19 105.66 3e1c n GLY 103 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 3e1c n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3e1c s PHE 104 N -1.90 4.05 -0.44 1.61 0.40 -0.89 -4.93 117.98 115.88 3e1c s PHE 104 Ca 0.00 -2.52 -0.27 0.00 -0.60 0.00 0.00 56.93 53.54 3e1c s PHE 104 Cb 0.00 -3.75 -0.07 0.00 0.51 0.00 0.00 43.02 39.71 3e1c s PHE 104 CO 0.00 -0.94 2.38 0.54 0.70 0.00 0.00 175.22 177.91 3e1c n ARG 105 N 3.07 1.21 -1.59 0.44 3.00 -1.26 -3.40 116.66 118.12 3e1c n ARG 105 Ca 0.20 0.10 -0.44 0.00 -0.01 0.00 0.00 57.85 57.71 3e1c n ARG 105 Cb 0.41 -3.38 -0.03 0.00 0.00 0.00 0.00 32.46 29.46 3e1c n ARG 105 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3e1c n ILE 106 N 7.95 0.37 0.03 0.55 -5.35 -1.26 -2.31 119.36 119.34 3e1c n ILE 106 Ca 0.36 -0.42 -0.21 0.00 -0.27 0.00 0.00 62.75 62.21 3e1c n ILE 106 Cb 0.52 -2.49 -0.14 0.00 -1.74 0.00 0.00 39.64 35.79 3e1c n ILE 106 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3e1c h THR 107 N 7.02 0.78 -3.66 7.28 1.35 -1.57 -3.49 112.91 120.62 3e1c h THR 107 Ca -0.41 -2.45 -0.15 0.00 -0.55 0.00 0.00 66.41 62.85 3e1c h THR 107 Cb 1.25 2.60 -0.20 0.00 -1.73 0.00 0.00 68.15 70.07 3e1c h THR 107 CO 0.96 0.86 -0.54 0.21 -0.25 0.00 0.00 175.52 176.76 3e1c s ASN 108 N -7.06 0.10 -0.65 5.36 2.47 -1.26 -5.03 114.94 108.86 3e1c s ASN 108 Ca -0.18 -0.33 0.05 0.00 0.42 0.00 0.00 52.86 52.82 3e1c s ASN 108 Cb 0.06 0.19 0.16 0.00 -1.45 0.00 0.00 41.25 40.21 3e1c s ASN 108 CO 0.81 -0.38 0.43 -0.63 -3.72 0.00 0.00 177.10 173.60 3e1c s ILE 109 N -1.61 2.74 -1.21 -5.21 1.09 -1.26 -0.08 121.20 115.66 3e1c s ILE 109 Ca -0.13 -3.98 -0.14 0.00 -1.10 0.00 0.00 60.65 55.30 3e1c s ILE 109 Cb -0.07 -2.83 0.17 0.00 -1.06 0.00 0.00 42.46 38.67 3e1c s ILE 109 CO 0.00 -0.95 1.44 -0.89 -0.10 0.00 0.00 174.94 174.44 3e1c s THR 110 N -1.10 5.02 -1.14 2.92 2.01 0.10 -4.99 115.64 118.47 3e1c s THR 110 Ca 0.23 -2.64 -0.17 0.00 0.31 0.00 0.00 61.69 59.42 3e1c s THR 110 Cb -0.10 -4.92 0.12 0.00 0.01 0.00 0.00 72.50 67.61 3e1c s THR 110 CO -0.12 -1.63 1.44 -0.62 -0.69 0.00 0.00 174.62 173.00 3e1c s ASP 111 N 2.84 6.82 -0.02 3.53 -1.08 -1.26 -1.90 116.67 125.59 3e1c s ASP 111 Ca 0.43 -2.40 0.12 0.00 -0.52 0.00 0.00 52.55 50.18 3e1c s ASP 111 Cb -0.03 -2.47 0.35 0.00 -1.46 0.00 0.00 42.92 39.32 3e1c s ASP 111 CO 0.00 -1.04 1.29 1.33 0.52 0.00 0.00 175.17 177.27 3e1c n VAL 112 N 5.62 1.18 -1.47 1.11 0.24 -1.25 -4.99 118.33 118.77 3e1c n VAL 112 Ca 0.36 -1.11 -0.44 0.00 -2.04 0.00 0.00 64.34 61.11 3e1c n VAL 112 Cb 0.46 0.40 -0.13 0.00 -1.47 0.00 0.00 33.84 33.10 3e1c n VAL 112 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3e1c n THR 113 N 0.44 -0.00 -1.68 3.34 5.66 -0.69 -4.91 114.28 116.44 3e1c n THR 113 Ca 0.14 -0.11 -0.46 0.00 -3.05 0.00 0.00 64.05 60.56 3e1c n THR 113 Cb 0.50 -0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 68.39 3e1c n THR 113 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3e1c n PRO 114 N 8.40 2.38 -0.32 1.09 -0.02 -1.26 -4.92 135.00 140.34 3e1c n PRO 114 Ca 0.59 0.87 0.20 0.00 -2.02 0.00 0.00 63.50 63.14 3e1c n PRO 114 Cb 0.10 -2.74 0.41 0.00 -0.02 0.00 0.00 33.50 31.24 3e1c n PRO 114 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3e1c h ILE 115 N 5.24 0.30 -4.33 4.25 5.03 -2.00 -3.47 117.51 122.52 3e1c h ILE 115 Ca -0.48 -0.10 -0.51 0.00 -0.12 0.00 0.00 64.86 63.65 3e1c h ILE 115 Cb 1.26 -0.00 0.10 0.00 -3.03 0.00 0.00 36.82 35.15 3e1c h ILE 115 CO 0.94 0.05 0.36 -2.16 -0.68 0.00 0.00 178.15 176.66 3e1c s PRO 116 N -5.77 2.81 0.29 2.37 0.04 -1.26 -5.11 135.00 128.38 3e1c s PRO 116 Ca -0.11 0.99 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 3e1c s PRO 116 Cb 0.29 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 3e1c s PRO 116 CO 0.78 -1.20 0.64 -1.01 0.04 0.00 0.00 177.00 176.25 3e1c s HIS 117 N -3.02 3.43 0.00 0.56 3.76 -1.26 -4.83 115.29 113.93 3e1c s HIS 117 Ca 0.59 0.95 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 3e1c s HIS 117 Cb -0.15 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.21 3e1c s HIS 117 CO 0.55 0.14 0.00 -1.71 -0.85 0.00 0.00 174.74 172.87 3e1c n ASN 118 N -0.54 0.00 0.13 1.40 5.15 -1.26 -1.47 115.26 118.67 3e1c n ASN 118 Ca 0.01 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.86 3e1c n ASN 118 Cb 0.53 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.70 3e1c n ASN 118 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3e1c h GLY 119 N 0.00 -0.32 2.00 8.20 0.00 -2.06 -2.97 103.07 107.91 3e1c h GLY 119 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 3e1c h GLY 119 CO 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 176.54 176.42 3e1c n ARG 121 N -3.51 -1.73 -1.15 0.00 1.85 -1.13 -4.89 116.66 106.09 3e1c n ARG 121 Ca -0.03 1.14 -0.33 0.00 -1.00 0.00 0.00 57.85 57.63 3e1c n ARG 121 Cb 0.08 -2.55 0.12 0.00 -1.05 0.00 0.00 32.46 29.06 3e1c n ARG 121 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3e1c s PRO 122 N -3.71 1.77 -0.38 2.89 0.04 -1.26 -4.79 135.00 129.55 3e1c s PRO 122 Ca 0.17 1.59 -0.40 0.00 0.04 0.00 0.00 61.00 62.41 3e1c s PRO 122 Cb -0.02 -1.81 -0.17 0.00 0.04 0.00 0.00 34.50 32.54 3e1c s PRO 122 CO 0.87 -2.08 1.32 -2.30 0.04 0.00 0.00 177.00 174.85 3e1c n PRO 123 N -3.37 0.00 0.17 0.56 -0.02 -1.26 -4.93 135.00 126.15 3e1c n PRO 123 Ca 0.12 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.64 3e1c n PRO 123 Cb 0.51 -1.28 0.23 0.00 -0.02 0.00 0.00 33.50 32.94 3e1c n PRO 123 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3e1c h LYS 124 N 4.08 0.00 0.00 -0.52 1.57 -2.02 -3.50 116.57 116.18 3e1c h LYS 124 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3e1c h LYS 124 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3e1c h LYS 124 CO 0.81 0.44 0.00 1.63 -0.57 0.00 0.00 179.45 181.76 3e1c n LYS 125 N -3.45 0.00 -1.17 3.15 5.02 -1.26 -4.48 118.16 115.98 3e1c n LYS 125 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3e1c n LYS 125 Cb 0.59 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.67 3e1c n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3e1c n ARG 126 N -0.44 0.17 0.21 1.97 1.74 -1.26 -4.91 116.66 114.13 3e1c n ARG 126 Ca 0.00 0.09 0.18 0.00 -0.77 0.00 0.00 57.85 57.35 3e1c n ARG 126 Cb 0.00 -1.71 0.80 0.00 -1.02 0.00 0.00 32.46 30.53 3e1c n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3e1c h ARG 127 N -0.57 0.00 0.00 5.56 3.08 -2.04 -3.55 114.38 116.86 3e1c h ARG 127 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3e1c h ARG 127 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3e1c h ARG 127 CO 0.40 0.00 0.00 0.28 -1.07 0.00 0.00 179.97 179.58