#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4y n SER 2 N 0.00 4.20 -4.30 1.61 2.88 -1.26 -5.05 113.62 111.70 1x4y n SER 2 Ca 0.00 -3.40 -0.16 0.00 -1.33 0.00 0.00 58.87 53.97 1x4y n SER 2 Cb 0.00 -0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 62.98 1x4y n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4y s SER 3 N -3.62 1.97 0.00 -3.46 0.01 -1.26 -5.15 113.70 102.18 1x4y s SER 3 Ca 0.46 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1x4y s SER 3 Cb 0.39 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1x4y s SER 3 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1x4y n GLY 4 N -0.33 4.60 3.15 3.44 0.00 -1.26 -5.16 105.19 109.63 1x4y n GLY 4 Ca -0.08 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 1x4y n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4y n SER 5 N 0.00 -2.72 -4.17 1.61 3.41 -1.26 -4.96 113.62 105.53 1x4y n SER 5 Ca 0.00 -0.25 -0.35 0.00 -0.26 0.00 0.00 58.87 58.01 1x4y n SER 5 Cb 0.00 -0.84 -0.13 0.00 -0.26 0.00 0.00 64.21 62.98 1x4y n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4y s SER 6 N -1.87 5.00 0.21 4.04 0.15 -1.26 -5.04 113.70 114.93 1x4y s SER 6 Ca 0.47 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1x4y s SER 6 Cb -0.08 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1x4y s SER 6 CO 0.53 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1x4y n GLY 7 N 4.62 -3.03 3.77 9.45 0.00 -1.24 -4.91 105.19 113.85 1x4y n GLY 7 Ca -0.10 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1x4y n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 8 N -0.63 4.23 0.00 1.61 0.04 -1.26 -4.94 135.00 134.06 1x4y s PRO 8 Ca 0.00 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1x4y s PRO 8 Cb 0.00 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1x4y s PRO 8 CO 0.00 -0.20 0.00 1.33 0.04 0.00 0.00 177.00 178.17 1x4y n VAL 9 N 0.47 0.00 -0.33 -0.36 0.24 -1.26 -3.92 118.33 113.17 1x4y n VAL 9 Ca 0.02 0.00 0.25 0.00 -2.04 0.00 0.00 64.34 62.58 1x4y n VAL 9 Cb 0.45 -0.34 0.50 0.00 -1.47 0.00 0.00 33.84 32.98 1x4y n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4y h ALA 10 N 0.00 2.01 -3.86 2.33 0.00 -1.92 -3.19 119.26 114.63 1x4y h ALA 10 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x4y h ALA 10 Cb 0.53 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x4y h ALA 10 CO 0.00 -0.65 -0.99 0.41 0.00 0.00 0.00 179.25 178.02 1x4y n GLY 11 N -1.29 -4.21 3.74 0.00 0.00 -1.26 -4.87 105.19 97.30 1x4y n GLY 11 Ca 0.33 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1x4y n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 12 N -5.19 1.75 -0.13 1.61 0.04 -1.26 -4.86 135.00 126.96 1x4y s PRO 12 Ca 0.00 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 1x4y s PRO 12 Cb 0.00 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.73 1x4y s PRO 12 CO 0.00 -1.95 0.01 -0.47 0.04 0.00 0.00 177.00 174.63 1x4y s TYR 13 N -2.92 0.85 0.13 0.56 5.04 -1.07 -4.32 117.35 115.63 1x4y s TYR 13 Ca 0.62 -0.49 -0.31 0.00 -2.44 0.00 0.00 57.07 54.45 1x4y s TYR 13 Cb -0.18 -0.92 -0.10 0.00 0.35 0.00 0.00 41.96 41.12 1x4y s TYR 13 CO 0.56 -0.46 1.63 0.42 -1.34 0.00 0.00 175.55 176.37 1x4y s ILE 14 N 1.91 2.69 0.00 3.14 1.01 -1.26 -2.16 121.20 126.54 1x4y s ILE 14 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1x4y s ILE 14 Cb -0.14 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1x4y s ILE 14 CO -0.07 0.02 0.37 0.35 0.00 0.00 0.00 174.94 175.61 1x4y n THR 15 N 4.29 0.00 -3.72 2.92 -2.24 -0.96 -4.96 114.28 109.61 1x4y n THR 15 Ca 0.15 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1x4y n THR 15 Cb 0.39 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.54 1x4y n THR 15 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x4y s PHE 16 N -0.20 -0.34 -0.19 4.78 5.36 -1.16 -5.02 117.98 121.21 1x4y s PHE 16 Ca 0.00 0.82 -0.04 0.00 -0.96 0.00 0.00 56.93 56.74 1x4y s PHE 16 Cb 0.00 0.03 0.08 0.00 -0.34 0.00 0.00 43.02 42.79 1x4y s PHE 16 CO 0.00 -0.26 0.18 0.95 -1.46 0.00 0.00 175.22 174.63 1x4y s THR 17 N 1.48 -0.25 -0.00 0.12 -4.23 -1.26 -1.55 115.64 109.95 1x4y s THR 17 Ca -0.07 -0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1x4y s THR 17 Cb -0.11 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.11 1x4y s THR 17 CO -0.08 -0.21 0.00 -1.81 -0.54 0.00 0.00 174.62 171.98 1x4y s ASP 18 N 2.27 -0.00 -0.32 3.99 1.11 -0.67 -4.94 116.67 118.11 1x4y s ASP 18 Ca 0.05 0.01 -0.28 0.00 0.18 0.00 0.00 52.55 52.51 1x4y s ASP 18 Cb -0.16 0.00 0.01 0.00 1.07 0.00 0.00 42.92 43.85 1x4y s ASP 18 CO -0.11 -0.01 1.01 0.00 1.18 0.00 0.00 175.17 177.25 1x4y s ALA 19 N 0.05 3.50 0.14 5.23 0.00 -1.26 -0.69 121.76 128.73 1x4y s ALA 19 Ca -0.00 -0.15 0.16 0.00 0.00 0.00 0.00 51.96 51.97 1x4y s ALA 19 Cb -0.01 -3.59 0.51 0.00 0.00 0.00 0.00 23.12 20.03 1x4y s ALA 19 CO -0.00 -1.43 1.66 0.28 0.00 0.00 0.00 175.76 176.26 1x4y h VAL 20 N 5.71 1.01 -2.75 0.00 2.07 -1.72 -3.46 116.25 117.10 1x4y h VAL 20 Ca -0.21 -1.79 0.06 0.00 0.82 0.00 0.00 66.70 65.58 1x4y h VAL 20 Cb 1.07 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1x4y h VAL 20 CO 1.00 0.45 0.42 0.59 0.02 0.00 0.00 177.57 180.05 1x4y n ASN 21 N -3.53 -1.97 0.17 0.57 3.02 -0.56 -4.91 115.26 108.04 1x4y n ASN 21 Ca -0.00 -2.22 0.13 0.00 -0.03 0.00 0.00 54.58 52.46 1x4y n ASN 21 Cb 0.57 3.25 0.55 0.00 -0.61 0.00 0.00 39.78 43.54 1x4y n ASN 21 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1x4y h GLU 22 N 0.00 0.00 0.00 3.52 9.09 -1.90 -2.90 114.58 122.39 1x4y h GLU 22 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 1x4y h GLU 22 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1x4y h GLU 22 CO 0.38 0.00 -0.06 0.25 0.05 0.00 0.00 179.01 179.63 1x4y n THR 23 N -2.44 0.55 -4.04 -1.06 -2.24 -1.26 -2.40 114.28 101.39 1x4y n THR 23 Ca 0.02 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 1x4y n THR 23 Cb 0.23 0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 1x4y n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4y s THR 24 N -0.66 0.40 -0.07 4.28 2.01 -1.11 -2.39 115.64 118.10 1x4y s THR 24 Ca 0.03 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1x4y s THR 24 Cb 0.03 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 72.10 1x4y s THR 24 CO 0.00 -0.35 0.16 -0.63 -0.69 0.00 0.00 174.62 173.11 1x4y s ILE 25 N -1.22 -0.03 -0.19 1.82 1.01 -0.38 -1.50 121.20 120.70 1x4y s ILE 25 Ca -0.10 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1x4y s ILE 25 Cb -0.09 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 1x4y s ILE 25 CO -0.00 0.05 -0.06 -0.32 0.00 0.00 0.00 174.94 174.60 1x4y s MET 26 N 0.81 3.40 -0.01 2.79 -2.45 0.14 0.19 119.30 124.17 1x4y s MET 26 Ca -0.06 -0.63 0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1x4y s MET 26 Cb -0.08 -2.91 -0.01 0.00 1.25 0.00 0.00 34.83 33.09 1x4y s MET 26 CO -0.04 -0.06 -0.11 -0.48 1.05 0.00 0.00 175.02 175.37 1x4y s LEU 27 N 1.11 1.97 -0.06 4.11 2.34 -0.95 -1.67 118.68 125.53 1x4y s LEU 27 Ca 0.01 -0.21 0.05 0.00 0.06 0.00 0.00 54.13 54.03 1x4y s LEU 27 Cb -0.15 -0.61 -0.02 0.00 -0.56 0.00 0.00 46.19 44.86 1x4y s LEU 27 CO -0.01 0.13 -0.20 -0.54 -1.06 0.00 0.00 176.35 174.67 1x4y s LYS 28 N -0.17 2.62 0.24 1.48 1.02 -0.60 -2.78 119.74 121.55 1x4y s LYS 28 Ca 0.03 -0.81 0.11 0.00 0.02 0.00 0.00 55.97 55.31 1x4y s LYS 28 Cb -0.06 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 1x4y s LYS 28 CO -0.00 0.45 -0.13 1.67 -0.92 0.00 0.00 175.35 176.42 1x4y s TRP 29 N -0.30 2.47 0.34 3.18 -2.14 -0.98 -2.26 118.94 119.24 1x4y s TRP 29 Ca 0.01 -0.28 0.09 0.00 2.66 0.00 0.00 56.10 58.58 1x4y s TRP 29 Cb -0.13 -1.13 -0.06 0.00 -3.10 0.00 0.00 33.47 29.06 1x4y s TRP 29 CO 0.02 0.62 -0.03 0.00 -2.66 0.00 0.00 176.95 174.90 1x4y s MET 30 N -3.28 1.99 -0.04 3.25 0.23 -0.92 -4.85 119.30 115.69 1x4y s MET 30 Ca 0.28 -1.80 0.03 0.00 -1.03 0.00 0.00 55.69 53.17 1x4y s MET 30 Cb -0.07 -1.86 0.01 0.00 -1.53 0.00 0.00 34.83 31.38 1x4y s MET 30 CO 0.16 0.15 -0.10 -0.47 -2.03 0.00 0.00 175.02 172.72 1x4y s TYR 31 N -2.54 1.14 -0.37 3.16 6.14 -1.26 -2.61 117.35 121.01 1x4y s TYR 31 Ca 0.34 -0.32 -0.07 0.00 0.64 0.00 0.00 57.07 57.66 1x4y s TYR 31 Cb 0.00 -0.82 0.06 0.00 0.42 0.00 0.00 41.96 41.62 1x4y s TYR 31 CO 0.18 -0.15 0.15 0.42 0.64 0.00 0.00 175.55 176.80 1x4y s ILE 32 N 0.32 3.85 0.13 3.14 1.09 -1.26 -4.95 121.20 123.52 1x4y s ILE 32 Ca -0.06 -1.29 0.34 0.00 -1.10 0.00 0.00 60.65 58.54 1x4y s ILE 32 Cb -0.11 -3.27 0.39 0.00 -1.06 0.00 0.00 42.46 38.42 1x4y s ILE 32 CO 0.01 -0.31 2.00 1.55 -0.10 0.00 0.00 174.94 178.09 1x4y h PRO 33 N 8.25 0.00 0.00 2.79 0.13 -1.99 -3.34 132.00 137.84 1x4y h PRO 33 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1x4y h PRO 33 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x4y h PRO 33 CO 0.65 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1x4y n ALA 34 N -2.09 -0.14 -0.93 -0.56 0.00 -1.26 -2.16 120.51 113.37 1x4y n ALA 34 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1x4y n ALA 34 Cb 0.30 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1x4y n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x4y n SER 35 N -1.82 5.71 -4.52 0.00 2.88 -1.25 -4.87 113.62 109.76 1x4y n SER 35 Ca 0.00 -2.70 -0.25 0.00 -1.33 0.00 0.00 58.87 54.59 1x4y n SER 35 Cb 0.00 -1.24 -0.10 0.00 -0.75 0.00 0.00 64.21 62.12 1x4y n SER 35 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1x4y s ASN 36 N 1.38 3.90 -0.26 -3.46 2.47 -0.92 -4.51 114.94 113.54 1x4y s ASN 36 Ca 0.40 -0.79 0.10 0.00 0.42 0.00 0.00 52.86 53.00 1x4y s ASN 36 Cb 0.23 -0.50 0.70 0.00 -1.45 0.00 0.00 41.25 40.23 1x4y s ASN 36 CO -0.04 0.07 1.66 -3.20 -3.72 0.00 0.00 177.10 171.87 1x4y n ASN 37 N -0.24 4.88 -4.00 -4.21 5.15 -1.26 -4.91 115.26 110.66 1x4y n ASN 37 Ca -0.09 -2.97 -0.29 0.00 -0.60 0.00 0.00 54.58 50.63 1x4y n ASN 37 Cb 0.57 -0.70 -0.01 0.00 -0.53 0.00 0.00 39.78 39.11 1x4y n ASN 37 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1x4y n ASN 38 N 0.20 -2.03 -4.63 1.20 5.15 -1.26 -4.95 115.26 108.94 1x4y n ASN 38 Ca 0.31 -0.95 -0.35 0.00 -0.60 0.00 0.00 54.58 53.00 1x4y n ASN 38 Cb 1.20 -3.20 -0.10 0.00 -0.53 0.00 0.00 39.78 37.15 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1x4y s THR 39 N -3.63 4.22 0.22 -0.44 -1.32 -1.26 -5.09 115.64 108.34 1x4y s THR 39 Ca 0.33 -0.27 -0.30 0.00 -1.21 0.00 0.00 61.69 60.24 1x4y s THR 39 Cb -0.18 -2.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.93 1x4y s THR 39 CO 0.88 0.57 1.29 -2.16 -2.21 0.00 0.00 174.62 173.00 1x4y s PRO 40 N -0.53 4.40 -0.10 7.08 0.04 -1.26 -5.00 135.00 139.63 1x4y s PRO 40 Ca 0.09 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 1x4y s PRO 40 Cb -0.12 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1x4y s PRO 40 CO 0.02 -0.21 0.13 0.42 0.04 0.00 0.00 177.00 177.41 1x4y s ILE 41 N -0.15 5.38 0.03 0.56 1.01 -1.26 -4.69 121.20 122.08 1x4y s ILE 41 Ca 0.55 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 61.13 1x4y s ILE 41 Cb -0.36 -3.36 -0.24 0.00 0.01 0.00 0.00 42.46 38.51 1x4y s ILE 41 CO 0.40 0.58 1.13 0.45 0.00 0.00 0.00 174.94 177.50 1x4y h HIS 42 N 4.84 0.76 0.00 3.97 3.86 -1.89 -3.43 115.15 123.26 1x4y h HIS 42 Ca -0.54 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.26 1x4y h HIS 42 Cb 1.22 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1x4y h HIS 42 CO 0.74 1.24 0.00 0.41 0.86 0.00 0.00 177.93 181.18 1x4y n GLY 43 N 1.09 2.42 3.17 2.45 0.00 -1.20 -3.28 105.19 109.84 1x4y n GLY 43 Ca -0.11 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1x4y n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4y s PHE 44 N -0.66 -0.56 -0.06 1.61 0.08 0.10 -4.07 117.98 114.42 1x4y s PHE 44 Ca 0.00 1.18 -0.09 0.00 0.12 0.00 0.00 56.93 58.13 1x4y s PHE 44 Cb 0.00 0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.57 1x4y s PHE 44 CO 0.00 -0.36 0.25 0.71 -0.10 0.00 0.00 175.22 175.72 1x4y s TYR 45 N 1.87 3.64 -0.14 0.36 2.02 0.65 0.42 117.35 126.17 1x4y s TYR 45 Ca -0.05 0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 57.32 1x4y s TYR 45 Cb -0.10 -2.06 0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1x4y s TYR 45 CO -0.11 0.69 -0.06 0.42 -1.57 0.00 0.00 175.55 174.92 1x4y s ILE 46 N -1.09 1.02 0.08 2.71 1.01 -0.38 -0.18 121.20 124.36 1x4y s ILE 46 Ca 0.20 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1x4y s ILE 46 Cb -0.14 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1x4y s ILE 46 CO 0.09 0.21 0.20 -0.31 0.00 0.00 0.00 174.94 175.14 1x4y s TYR 47 N 1.69 3.46 -0.11 3.97 1.51 -0.20 -1.32 117.35 126.34 1x4y s TYR 47 Ca 0.03 0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 56.00 1x4y s TYR 47 Cb -0.14 -1.72 0.07 0.00 -0.11 0.00 0.00 41.96 40.06 1x4y s TYR 47 CO -0.08 0.57 0.66 1.52 -1.11 0.00 0.00 175.55 177.11 1x4y s TYR 48 N -1.54 -0.66 -0.21 2.71 1.13 -1.25 -2.54 117.35 114.99 1x4y s TYR 48 Ca 0.34 1.31 -0.27 0.00 -1.41 0.00 0.00 57.07 57.04 1x4y s TYR 48 Cb -0.12 0.35 0.09 0.00 -1.10 0.00 0.00 41.96 41.17 1x4y s TYR 48 CO 0.27 -0.52 0.83 -0.98 -2.51 0.00 0.00 175.55 172.64 1x4y s ARG 49 N -0.71 0.77 0.46 -3.49 1.04 -1.25 -2.22 118.95 113.54 1x4y s ARG 49 Ca -0.08 0.62 -0.23 0.00 -1.04 0.00 0.00 55.73 55.00 1x4y s ARG 49 Cb -0.02 0.37 -0.07 0.00 -2.04 0.00 0.00 34.95 33.19 1x4y s ARG 49 CO 0.07 -0.15 1.16 -1.25 -0.04 0.00 0.00 175.30 175.09 1x4y s PRO 50 N -0.21 3.76 0.56 3.89 0.04 -1.26 -4.02 135.00 137.75 1x4y s PRO 50 Ca -0.02 1.77 0.28 0.00 0.04 0.00 0.00 61.00 63.08 1x4y s PRO 50 Cb -0.03 -2.41 1.46 0.00 0.04 0.00 0.00 34.50 33.56 1x4y s PRO 50 CO 0.01 -0.55 1.94 0.00 0.04 0.00 0.00 177.00 178.44 1x4y h THR 51 N 1.87 0.55 -0.05 1.26 1.03 -1.95 0.32 112.91 115.94 1x4y h THR 51 Ca -0.49 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 65.82 1x4y h THR 51 Cb 1.25 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1x4y h THR 51 CO 0.60 0.00 -0.37 -0.78 -0.01 0.00 0.00 175.52 174.96 1x4y h ASP 52 N 0.00 0.11 -1.55 0.00 3.58 -1.93 -3.45 116.42 113.17 1x4y h ASP 52 Ca 0.27 -0.04 -0.46 0.00 0.42 0.00 0.00 57.03 57.22 1x4y h ASP 52 Cb 1.22 -0.03 0.14 0.00 1.72 0.00 0.00 39.33 42.38 1x4y h ASP 52 CO -0.00 0.47 -0.93 -1.20 -2.88 0.00 0.00 179.24 174.70 1x4y n SER 53 N -4.08 -2.97 -0.06 2.28 7.64 0.11 -4.92 113.62 111.62 1x4y n SER 53 Ca -0.02 0.49 -0.07 0.00 1.01 0.00 0.00 58.87 60.28 1x4y n SER 53 Cb 0.42 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 1x4y n SER 53 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1x4y h ASP 54 N -0.05 0.00 -5.44 6.43 1.82 -1.88 -3.50 116.42 113.79 1x4y h ASP 54 Ca -0.32 -0.34 -0.21 0.00 -0.39 0.00 0.00 57.03 55.76 1x4y h ASP 54 Cb 1.12 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.04 1x4y h ASP 54 CO 0.32 0.78 -0.19 0.20 -1.61 0.00 0.00 179.24 178.73 1x4y s ASN 55 N -5.90 0.58 0.64 2.28 0.01 -1.26 -5.00 114.94 106.30 1x4y s ASN 55 Ca -0.10 -1.33 0.19 0.00 -0.71 0.00 0.00 52.86 50.90 1x4y s ASN 55 Cb -0.00 0.63 0.90 0.00 0.41 0.00 0.00 41.25 43.19 1x4y s ASN 55 CO 0.29 -1.24 1.48 -2.24 -1.51 0.00 0.00 177.10 173.88 1x4y h ASP 56 N 2.18 0.00 0.00 -1.22 2.03 -1.97 0.11 116.42 117.55 1x4y h ASP 56 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 1x4y h ASP 56 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1x4y h ASP 56 CO 0.39 0.00 0.41 -1.28 -1.03 0.00 0.00 179.24 177.73 1x4y h SER 57 N 0.00 0.00 0.09 4.15 0.87 -2.01 0.19 113.55 116.83 1x4y h SER 57 Ca 0.12 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.34 1x4y h SER 57 Cb 1.62 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.55 1x4y h SER 57 CO -0.00 0.00 -1.84 0.47 -0.53 0.00 0.00 176.83 174.93 1x4y n ASP 58 N -2.46 2.05 -3.51 6.23 9.92 0.39 -4.94 116.55 124.24 1x4y n ASP 58 Ca -0.01 0.25 -0.49 0.00 -0.53 0.00 0.00 54.79 54.01 1x4y n ASP 58 Cb 0.44 -0.88 -0.07 0.00 -0.64 0.00 0.00 41.12 39.97 1x4y n ASP 58 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1x4y n TYR 59 N -3.73 1.13 -2.43 1.24 4.01 0.65 -4.88 117.16 113.16 1x4y n TYR 59 Ca -0.33 0.85 -0.14 0.00 -0.16 0.00 0.00 57.90 58.12 1x4y n TYR 59 Cb 0.95 -1.65 0.07 0.00 -0.31 0.00 0.00 39.34 38.41 1x4y n TYR 59 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1x4y n LYS 60 N 2.59 0.17 -3.73 -0.72 5.02 -0.94 -4.86 118.16 115.69 1x4y n LYS 60 Ca 0.21 -1.57 -0.13 0.00 -2.02 0.00 0.00 58.31 54.80 1x4y n LYS 60 Cb -0.02 -0.40 -0.14 0.00 -0.02 0.00 0.00 35.03 34.45 1x4y n LYS 60 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x4y s LYS 61 N -3.99 0.13 -0.20 1.97 2.20 -1.26 -3.84 119.74 114.75 1x4y s LYS 61 Ca 0.39 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1x4y s LYS 61 Cb -0.02 -0.16 0.05 0.00 -1.51 0.00 0.00 37.83 36.19 1x4y s LYS 61 CO 0.26 -0.18 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.50 1x4y s ASP 62 N 1.37 3.39 0.27 1.43 1.11 -0.44 -4.89 116.67 118.92 1x4y s ASP 62 Ca -0.08 -0.94 -0.29 0.00 0.18 0.00 0.00 52.55 51.42 1x4y s ASP 62 Cb -0.11 -1.07 -0.09 0.00 1.07 0.00 0.00 42.92 42.72 1x4y s ASP 62 CO -0.07 -0.21 1.04 -0.32 1.18 0.00 0.00 175.17 176.80 1x4y s MET 63 N 1.50 4.70 0.05 8.23 1.75 -1.26 -1.25 119.30 133.01 1x4y s MET 63 Ca -0.03 1.69 0.02 0.00 -1.25 0.00 0.00 55.69 56.12 1x4y s MET 63 Cb -0.17 -3.19 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 1x4y s MET 63 CO -0.07 0.30 -0.07 0.08 -0.65 0.00 0.00 175.02 174.61 1x4y s VAL 64 N -1.19 0.52 0.48 10.11 1.01 0.17 -4.91 120.40 126.59 1x4y s VAL 64 Ca 0.44 -1.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1x4y s VAL 64 Cb -0.30 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 1x4y s VAL 64 CO 0.37 -0.46 0.72 -0.62 0.00 0.00 0.00 175.10 175.11 1x4y n GLU 65 N 1.27 0.81 0.12 2.72 -0.58 -1.26 0.02 120.64 123.74 1x4y n GLU 65 Ca -0.21 0.30 -0.02 0.00 -0.42 0.00 0.00 57.16 56.81 1x4y n GLU 65 Cb 0.55 -1.78 0.21 0.00 -0.57 0.00 0.00 31.44 29.86 1x4y n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x4y h GLY 66 N 0.84 0.14 1.89 0.62 0.00 -1.81 -2.83 103.07 101.92 1x4y h GLY 66 Ca -0.44 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1x4y h GLY 66 CO 0.52 0.14 -0.10 -1.80 0.00 0.00 0.00 176.54 175.30 1x4y h ASP 67 N 0.10 0.00 -3.42 0.19 3.58 -1.89 -3.45 116.42 111.52 1x4y h ASP 67 Ca 0.00 -0.01 -0.54 0.00 0.42 0.00 0.00 57.03 56.90 1x4y h ASP 67 Cb 0.93 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 1x4y h ASP 67 CO 0.07 0.01 0.22 -0.60 -2.88 0.00 0.00 179.24 176.06 1x4y s ARG 68 N -3.18 4.52 -0.08 0.28 6.06 -1.07 -4.94 118.95 120.54 1x4y s ARG 68 Ca 0.08 1.15 0.12 0.00 -2.50 0.00 0.00 55.73 54.58 1x4y s ARG 68 Cb 0.08 -3.41 0.33 0.00 0.06 0.00 0.00 34.95 32.01 1x4y s ARG 68 CO 0.66 0.13 1.26 0.66 -2.50 0.00 0.00 175.30 175.51 1x4y n TYR 69 N 3.33 0.50 -3.88 5.12 4.02 -1.26 -4.77 117.16 120.22 1x4y n TYR 69 Ca 0.01 -0.69 -0.11 0.00 -0.01 0.00 0.00 57.90 57.10 1x4y n TYR 69 Cb 0.51 -0.14 -0.10 0.00 -0.02 0.00 0.00 39.34 39.58 1x4y n TYR 69 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 1x4y s TRP 70 N -1.84 0.06 -0.10 -0.72 1.48 -1.26 -2.32 118.94 114.23 1x4y s TRP 70 Ca 0.27 -0.15 -0.19 0.00 -1.06 0.00 0.00 56.10 54.98 1x4y s TRP 70 Cb 0.20 -0.06 0.04 0.00 -1.16 0.00 0.00 33.47 32.49 1x4y s TRP 70 CO 0.09 -0.25 0.46 -1.58 -4.06 0.00 0.00 176.95 171.62 1x4y s HIS 71 N -1.23 -0.44 -0.33 1.66 2.46 -1.12 -5.00 115.29 111.29 1x4y s HIS 71 Ca -0.13 0.93 -0.01 0.00 0.47 0.00 0.00 55.06 56.32 1x4y s HIS 71 Cb -0.07 0.19 0.07 0.00 -0.13 0.00 0.00 32.58 32.65 1x4y s HIS 71 CO 0.01 -0.36 0.05 -1.54 -2.47 0.00 0.00 174.74 170.43 1x4y s SER 72 N -0.50 4.92 0.52 9.88 1.04 -1.26 -2.23 113.70 126.06 1x4y s SER 72 Ca -0.06 -1.63 -0.20 0.00 0.48 0.00 0.00 55.95 54.54 1x4y s SER 72 Cb -0.03 -1.71 -0.07 0.00 0.10 0.00 0.00 66.02 64.31 1x4y s SER 72 CO 0.03 -0.34 1.11 -0.63 0.98 0.00 0.00 173.24 174.39 1x4y s ILE 73 N 1.15 3.31 0.33 -1.02 1.01 0.13 -4.81 121.20 121.30 1x4y s ILE 73 Ca 0.00 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.53 1x4y s ILE 73 Cb -0.20 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1x4y s ILE 73 CO -0.03 -0.15 0.19 -0.44 0.00 0.00 0.00 174.94 174.50 1x4y s SER 74 N -1.76 1.83 -1.19 3.58 0.01 -1.26 -1.25 113.70 113.65 1x4y s SER 74 Ca 0.70 -1.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.30 1x4y s SER 74 Cb -0.23 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1x4y s SER 74 CO 0.26 -0.95 1.01 1.41 0.41 0.00 0.00 173.24 175.38 1x4y n HIS 75 N -0.66 -2.27 -3.99 2.43 8.25 -1.01 -4.96 115.22 113.01 1x4y n HIS 75 Ca 0.01 0.92 -0.24 0.00 -0.26 0.00 0.00 57.72 58.16 1x4y n HIS 75 Cb 0.64 -4.95 -0.01 0.00 1.12 0.00 0.00 29.99 26.79 1x4y n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1x4y n LEU 76 N -4.21 0.00 -4.86 2.41 4.77 -1.17 -5.09 117.00 108.84 1x4y n LEU 76 Ca -0.21 -2.53 -0.37 0.00 -0.03 0.00 0.00 56.01 52.87 1x4y n LEU 76 Cb 0.64 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1x4y n LEU 76 CO 0.60 -0.51 -0.10 -1.10 -1.33 0.00 0.00 177.39 174.94 1x4y s GLN 77 N -3.88 3.59 0.63 3.23 1.11 -1.26 -4.64 119.66 118.43 1x4y s GLN 77 Ca 0.22 -0.00 -0.16 0.00 0.01 0.00 0.00 55.36 55.43 1x4y s GLN 77 Cb -0.02 -3.21 -0.02 0.00 -1.01 0.00 0.00 33.01 28.76 1x4y s GLN 77 CO 0.14 0.74 1.11 -1.25 0.01 0.00 0.00 175.29 176.04 1x4y s PRO 78 N -0.98 2.96 -1.14 2.91 0.04 -1.01 -3.39 135.00 134.40 1x4y s PRO 78 Ca 0.17 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 1x4y s PRO 78 Cb -0.13 -1.97 0.14 0.00 0.04 0.00 0.00 34.50 32.59 1x4y s PRO 78 CO 0.06 -1.14 0.36 -0.85 0.04 0.00 0.00 177.00 175.47 1x4y n GLU 79 N -2.11 -1.00 -3.73 4.56 0.28 0.89 -4.83 120.64 114.70 1x4y n GLU 79 Ca 0.11 0.08 -0.38 0.00 -0.16 0.00 0.00 57.16 56.81 1x4y n GLU 79 Cb 0.52 -3.22 -0.11 0.00 1.43 0.00 0.00 31.44 30.05 1x4y n GLU 79 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x4y s THR 80 N -2.40 3.65 -0.54 3.84 2.01 -1.22 -4.88 115.64 116.12 1x4y s THR 80 Ca 0.50 -1.58 -0.28 0.00 0.31 0.00 0.00 61.69 60.64 1x4y s THR 80 Cb -0.29 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 68.95 1x4y s THR 80 CO 0.62 -0.46 1.35 -0.55 -0.69 0.00 0.00 174.62 174.89 1x4y s SER 81 N 1.80 6.26 0.09 3.53 0.15 -1.26 -3.81 113.70 120.46 1x4y s SER 81 Ca 0.03 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.05 1x4y s SER 81 Cb -0.22 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1x4y s SER 81 CO -0.00 -1.59 -0.09 -0.72 1.20 0.00 0.00 173.24 172.04 1x4y s TYR 82 N 5.63 0.95 0.54 3.44 -0.85 -1.26 -4.40 117.35 121.39 1x4y s TYR 82 Ca 0.51 -0.69 -0.18 0.00 -0.52 0.00 0.00 57.07 56.19 1x4y s TYR 82 Cb -0.10 -0.53 -0.06 0.00 0.38 0.00 0.00 41.96 41.64 1x4y s TYR 82 CO 0.27 -0.05 1.04 -0.51 -1.52 0.00 0.00 175.55 174.77 1x4y s ASP 83 N -2.44 6.14 -0.04 -0.18 1.11 -1.26 -3.51 116.67 116.50 1x4y s ASP 83 Ca 0.04 1.83 -0.02 0.00 0.18 0.00 0.00 52.55 54.57 1x4y s ASP 83 Cb -0.02 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.45 1x4y s ASP 83 CO -0.01 -0.92 0.09 -0.63 1.18 0.00 0.00 175.17 174.88 1x4y s ILE 84 N -2.28 -0.02 0.29 0.77 1.01 0.51 -3.92 121.20 117.54 1x4y s ILE 84 Ca 0.64 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 1x4y s ILE 84 Cb -0.15 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1x4y s ILE 84 CO 0.29 0.03 0.34 -1.59 0.00 0.00 0.00 174.94 174.01 1x4y s LYS 85 N 0.52 1.63 0.35 2.79 -2.85 -1.05 -0.29 119.74 120.83 1x4y s LYS 85 Ca -0.04 -1.70 -0.10 0.00 -1.00 0.00 0.00 55.97 53.12 1x4y s LYS 85 Cb -0.06 0.37 0.03 0.00 -2.06 0.00 0.00 37.83 36.11 1x4y s LYS 85 CO -0.02 -0.63 0.63 0.00 0.10 0.00 0.00 175.35 175.43 1x4y s MET 86 N -3.59 2.01 -0.21 1.78 0.23 -1.26 -1.04 119.30 117.22 1x4y s MET 86 Ca 0.34 -1.52 -0.27 0.00 -1.03 0.00 0.00 55.69 53.20 1x4y s MET 86 Cb 0.02 0.54 0.12 0.00 -1.53 0.00 0.00 34.83 33.97 1x4y s MET 86 CO 0.18 -0.89 0.96 -1.14 -2.03 0.00 0.00 175.02 172.10 1x4y s GLN 87 N -2.87 0.61 0.24 3.16 -0.44 0.75 -1.66 119.66 119.46 1x4y s GLN 87 Ca 0.22 0.42 -0.05 0.00 -2.50 0.00 0.00 55.36 53.45 1x4y s GLN 87 Cb -0.03 0.29 -0.05 0.00 -1.64 0.00 0.00 33.01 31.58 1x4y s GLN 87 CO 0.15 -0.14 0.50 0.00 0.50 0.00 0.00 175.29 176.30 1x4y s PHE 89 N -1.95 -0.29 0.12 0.00 -0.71 -1.26 -0.30 117.98 113.60 1x4y s PHE 89 Ca 0.43 0.36 -0.18 0.00 -1.04 0.00 0.00 56.93 56.50 1x4y s PHE 89 Cb -0.11 0.20 0.06 0.00 -1.21 0.00 0.00 43.02 41.96 1x4y s PHE 89 CO 0.28 -0.51 0.86 0.27 -1.34 0.00 0.00 175.22 174.77 1x4y n ASN 90 N 0.82 -1.30 -0.51 1.98 0.23 -1.26 -2.83 115.26 112.38 1x4y n ASN 90 Ca -0.20 -1.63 0.41 0.00 -0.53 0.00 0.00 54.58 52.64 1x4y n ASN 90 Cb 0.58 2.11 0.70 0.00 -2.08 0.00 0.00 39.78 41.09 1x4y n ASN 90 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1x4y h GLU 91 N 0.00 0.05 -0.13 -3.83 4.11 -1.97 0.46 114.58 113.27 1x4y h GLU 91 Ca -0.21 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 1x4y h GLU 91 Cb 0.95 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1x4y h GLU 91 CO 0.28 0.03 0.04 0.78 0.07 0.00 0.00 179.01 180.22 1x4y h GLY 92 N 0.05 0.21 0.00 1.06 0.00 -1.94 -3.49 103.07 98.96 1x4y h GLY 92 Ca 0.84 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1x4y h GLY 92 CO -0.29 0.12 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1x4y n GLY 93 N -0.62 4.83 3.44 4.60 0.00 0.16 -3.73 105.19 113.88 1x4y n GLY 93 Ca -0.05 -1.00 -0.49 0.00 0.00 0.00 0.00 46.02 44.48 1x4y n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4y n GLU 94 N -1.94 0.20 -2.73 1.61 1.02 -1.26 -4.17 120.64 113.38 1x4y n GLU 94 Ca 0.00 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 1x4y n GLU 94 Cb 0.00 -1.21 0.10 0.00 -0.02 0.00 0.00 31.44 30.31 1x4y n GLU 94 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x4y s SER 95 N -0.75 4.53 0.93 1.62 0.15 0.59 -4.84 113.70 115.92 1x4y s SER 95 Ca 0.68 -0.54 -0.11 0.00 0.70 0.00 0.00 55.95 56.68 1x4y s SER 95 Cb -0.95 0.14 0.15 0.00 -1.71 0.00 0.00 66.02 63.64 1x4y s SER 95 CO 0.56 -1.74 1.10 -1.61 1.20 0.00 0.00 173.24 172.76 1x4y s GLU 96 N -5.01 0.96 -0.29 5.44 0.41 -1.21 -4.75 118.70 114.26 1x4y s GLU 96 Ca 0.65 1.20 -0.25 0.00 -0.41 0.00 0.00 54.97 56.16 1x4y s GLU 96 Cb -0.05 -1.75 0.00 0.00 -1.78 0.00 0.00 34.13 30.56 1x4y s GLU 96 CO 0.43 -2.56 0.89 -0.06 -0.49 0.00 0.00 175.26 173.47 1x4y s PHE 97 N -2.72 3.22 0.61 1.61 0.40 -1.26 -4.55 117.98 115.29 1x4y s PHE 97 Ca 0.65 1.03 -0.09 0.00 -0.60 0.00 0.00 56.93 57.92 1x4y s PHE 97 Cb -0.21 -3.30 0.14 0.00 0.51 0.00 0.00 43.02 40.16 1x4y s PHE 97 CO 0.59 -0.57 0.32 -1.13 0.70 0.00 0.00 175.22 175.12 1x4y n SER 98 N 6.33 -2.52 -4.63 1.36 3.41 -0.66 -4.97 113.62 111.94 1x4y n SER 98 Ca 0.07 -0.32 -0.29 0.00 -0.26 0.00 0.00 58.87 58.07 1x4y n SER 98 Cb 0.48 -0.44 0.16 0.00 -0.26 0.00 0.00 64.21 64.15 1x4y n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4y s ASN 99 N -2.10 3.00 -0.24 4.04 2.20 -1.26 -4.78 114.94 115.79 1x4y s ASN 99 Ca 0.24 0.94 -0.09 0.00 -0.94 0.00 0.00 52.86 53.02 1x4y s ASN 99 Cb -0.04 -1.48 -0.04 0.00 -2.00 0.00 0.00 41.25 37.69 1x4y s ASN 99 CO 0.20 -2.87 0.11 -0.69 -2.94 0.00 0.00 177.10 170.91 1x4y s VAL 100 N -3.21 4.79 -0.16 3.54 1.01 -1.26 -4.52 120.40 120.59 1x4y s VAL 100 Ca 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 1x4y s VAL 100 Cb -0.15 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1x4y s VAL 100 CO 0.55 0.34 -0.10 -0.04 0.00 0.00 0.00 175.10 175.85 1x4y s MET 101 N 1.33 3.40 -0.61 2.72 -1.94 0.60 -4.89 119.30 119.91 1x4y s MET 101 Ca 0.06 -0.66 -0.18 0.00 -1.71 0.00 0.00 55.69 53.20 1x4y s MET 101 Cb -0.15 -2.76 0.12 0.00 2.01 0.00 0.00 34.83 34.06 1x4y s MET 101 CO 0.05 0.09 0.66 0.42 -0.01 0.00 0.00 175.02 176.24 1x4y s ILE 102 N 0.68 4.99 -0.33 2.53 1.01 -1.26 -0.36 121.20 128.46 1x4y s ILE 102 Ca -0.05 -1.28 -0.07 0.00 0.00 0.00 0.00 60.65 59.25 1x4y s ILE 102 Cb -0.15 -4.46 0.03 0.00 0.01 0.00 0.00 42.46 37.89 1x4y s ILE 102 CO 0.02 -1.06 0.11 0.00 0.00 0.00 0.00 174.94 174.01 1x4y s GLU 104 N 1.46 4.41 1.18 0.00 2.12 -1.26 -4.34 118.70 122.27 1x4y s GLU 104 Ca 0.00 1.47 -0.17 0.00 0.36 0.00 0.00 54.97 56.63 1x4y s GLU 104 Cb -0.19 -3.54 0.27 0.00 0.26 0.00 0.00 34.13 30.94 1x4y s GLU 104 CO 0.03 -0.33 1.06 0.95 -0.54 0.00 0.00 175.26 176.44 1x4y s THR 105 N 1.98 1.72 0.47 -1.70 -4.23 -1.25 -4.55 115.64 108.08 1x4y s THR 105 Ca 0.50 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.86 1x4y s THR 105 Cb -0.20 -2.36 -0.08 0.00 1.34 0.00 0.00 72.50 71.20 1x4y s THR 105 CO 0.20 0.00 0.91 -0.54 -0.54 0.00 0.00 174.62 174.65 1x4y s LYS 106 N -5.08 3.94 -0.03 3.99 -0.14 -1.12 -3.73 119.74 117.56 1x4y s LYS 106 Ca 0.69 0.83 -0.30 0.00 -1.36 0.00 0.00 55.97 55.82 1x4y s LYS 106 Cb -0.15 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 1x4y s LYS 106 CO 0.58 -0.16 1.01 0.00 -0.76 0.00 0.00 175.35 176.02 1x4y s ALA 107 N -2.48 3.25 0.07 5.17 0.00 -1.26 -0.08 121.76 126.44 1x4y s ALA 107 Ca 0.57 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.74 1x4y s ALA 107 Cb -0.10 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1x4y s ALA 107 CO 0.29 -0.37 1.69 -0.98 0.00 0.00 0.00 175.76 176.39 1x4y s ARG 108 N 1.34 4.19 -0.15 0.00 1.70 -1.26 -4.88 118.95 119.88 1x4y s ARG 108 Ca 0.51 2.37 0.01 0.00 -0.47 0.00 0.00 55.73 58.16 1x4y s ARG 108 Cb -0.21 -3.63 0.02 0.00 -0.57 0.00 0.00 34.95 30.56 1x4y s ARG 108 CO 0.25 -0.76 -0.18 -1.54 -1.08 0.00 0.00 175.30 171.99 1x4y s SER 109 N 2.55 2.88 0.00 -2.89 1.04 -1.26 -5.08 113.70 110.95 1x4y s SER 109 Ca 0.75 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1x4y s SER 109 Cb -0.41 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.39 1x4y s SER 109 CO 0.33 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1x4y n GLY 110 N 4.43 -1.65 3.71 7.32 0.00 -1.26 -5.15 105.19 112.59 1x4y n GLY 110 Ca -0.19 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1x4y n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 111 N -1.89 1.01 -0.17 1.61 0.04 -1.26 -5.02 135.00 129.32 1x4y s PRO 111 Ca 0.00 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 1x4y s PRO 111 Cb 0.00 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 1x4y s PRO 111 CO 0.00 -2.39 0.08 0.77 0.04 0.00 0.00 177.00 175.50 1x4y h SER 112 N -1.65 0.00 -5.02 6.66 0.02 -2.03 -3.49 113.55 108.03 1x4y h SER 112 Ca -0.51 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.05 1x4y h SER 112 Cb 1.30 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.66 1x4y h SER 112 CO 0.55 1.08 -0.13 -0.44 -1.14 0.00 0.00 176.83 176.76 1x4y s SER 113 N -6.25 -0.30 0.00 3.07 0.01 -1.26 -5.29 113.70 103.67 1x4y s SER 113 Ca -0.20 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1x4y s SER 113 Cb 0.03 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1x4y s SER 113 CO 0.40 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.08