#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 0.02 -4.82 1.61 7.64 -1.26 -4.94 113.62 111.87 1x4y n SER 2 Ca 0.00 -1.12 -0.31 0.00 1.01 0.00 0.00 58.87 58.45 1x4y n SER 2 Cb 0.00 -2.41 -0.06 0.00 -1.01 0.00 0.00 64.21 60.73 1x4y n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4y s SER 3 N -4.30 5.79 0.35 6.43 0.15 -1.26 -5.12 113.70 115.73 1x4y s SER 3 Ca 0.06 0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.87 1x4y s SER 3 Cb -0.03 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 1x4y s SER 3 CO 0.94 0.17 0.17 -0.83 1.20 0.00 0.00 173.24 174.89 1x4y s GLY 4 N -2.41 1.96 -0.48 9.45 0.00 -1.26 -5.05 107.32 109.52 1x4y s GLY 4 Ca 0.31 -1.83 0.04 0.00 0.00 0.00 0.00 44.72 43.24 1x4y s GLY 4 CO 0.24 -1.75 1.28 -1.14 0.00 0.00 0.00 173.10 171.73 1x4y n SER 5 N -1.19 5.23 -3.74 1.64 3.41 -1.26 -5.02 113.62 112.69 1x4y n SER 5 Ca -0.03 -3.74 -0.05 0.00 -0.26 0.00 0.00 58.87 54.79 1x4y n SER 5 Cb 0.61 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1x4y n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4y s SER 6 N -3.15 -0.22 0.00 4.04 0.01 -1.26 -4.90 113.70 108.22 1x4y s SER 6 Ca 0.49 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1x4y s SER 6 Cb 0.41 0.53 0.00 0.00 0.21 0.00 0.00 66.02 67.17 1x4y s SER 6 CO -0.19 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.12 1x4y n GLY 7 N -0.45 0.33 3.77 3.44 0.00 -1.26 -4.70 105.19 106.32 1x4y n GLY 7 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 2.71 4.37 0.00 1.61 0.04 -1.26 -4.93 135.00 137.54 1x4y s PRO 8 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1x4y s PRO 8 Cb 0.00 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1x4y s PRO 8 CO 0.00 -0.11 0.00 1.33 0.04 0.00 0.00 177.00 178.26 1x4y n VAL 9 N 0.75 0.00 -0.37 -0.36 0.24 -1.26 -3.52 118.33 113.81 1x4y n VAL 9 Ca 0.01 0.00 0.29 0.00 -2.04 0.00 0.00 64.34 62.59 1x4y n VAL 9 Cb 0.44 -0.52 0.56 0.00 -1.47 0.00 0.00 33.84 32.84 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 2.37 -3.75 2.33 0.00 -1.93 -3.24 119.26 115.06 1x4y h ALA 10 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x4y h ALA 10 Cb 0.89 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1x4y h ALA 10 CO 0.00 -0.92 -0.97 0.41 0.00 0.00 0.00 179.25 177.77 1x4y n GLY 11 N -1.45 -4.12 3.75 0.00 0.00 -1.26 -4.90 105.19 97.21 1x4y n GLY 11 Ca 0.32 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -5.33 1.83 -0.21 1.61 0.04 -1.26 -4.85 135.00 126.83 1x4y s PRO 12 Ca 0.00 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1x4y s PRO 12 Cb 0.00 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.74 1x4y s PRO 12 CO 0.00 -1.90 -0.03 -0.47 0.04 0.00 0.00 177.00 174.65 1x4y s TYR 13 N -2.92 1.83 0.21 0.56 5.04 -1.10 -4.57 117.35 116.41 1x4y s TYR 13 Ca 0.62 -1.33 -0.31 0.00 -2.44 0.00 0.00 57.07 53.61 1x4y s TYR 13 Cb -0.17 -1.35 -0.11 0.00 0.35 0.00 0.00 41.96 40.67 1x4y s TYR 13 CO 0.56 -0.69 1.59 0.42 -1.34 0.00 0.00 175.55 176.10 1x4y s ILE 14 N 1.59 2.36 0.00 3.14 1.01 -1.26 -1.75 121.20 126.29 1x4y s ILE 14 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1x4y s ILE 14 Cb -0.17 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1x4y s ILE 14 CO -0.07 0.03 0.42 0.35 0.00 0.00 0.00 174.94 175.67 1x4y n THR 15 N 3.37 0.18 -3.66 2.92 -2.24 -0.94 -4.94 114.28 108.96 1x4y n THR 15 Ca 0.12 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1x4y n THR 15 Cb 0.38 1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.18 -0.61 -0.13 4.78 2.19 -1.15 -4.99 117.98 117.91 1x4y s PHE 16 Ca 0.00 1.24 -0.04 0.00 0.33 0.00 0.00 56.93 58.47 1x4y s PHE 16 Cb 0.00 0.13 0.06 0.00 -1.31 0.00 0.00 43.02 41.90 1x4y s PHE 16 CO 0.00 -0.42 0.12 0.95 1.83 0.00 0.00 175.22 177.71 1x4y s THR 17 N 2.49 -0.18 0.00 0.12 -4.23 -1.26 -0.49 115.64 112.10 1x4y s THR 17 Ca -0.00 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.53 1x4y s THR 17 Cb -0.12 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.30 1x4y s THR 17 CO -0.11 -0.06 0.16 -0.62 -0.54 0.00 0.00 174.62 173.45 1x4y s ASP 18 N 2.22 0.01 -0.26 3.99 -1.08 -0.07 -4.97 116.67 116.51 1x4y s ASP 18 Ca 0.04 -0.19 -0.20 0.00 -0.52 0.00 0.00 52.55 51.68 1x4y s ASP 18 Cb -0.14 0.22 -0.02 0.00 -1.46 0.00 0.00 42.92 41.52 1x4y s ASP 18 CO -0.07 -0.39 0.61 0.00 0.52 0.00 0.00 175.17 175.84 1x4y s ALA 19 N -1.45 3.60 -0.17 3.66 0.00 -1.26 0.15 121.76 126.30 1x4y s ALA 19 Ca -0.14 -0.49 0.15 0.00 0.00 0.00 0.00 51.96 51.48 1x4y s ALA 19 Cb -0.07 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1x4y s ALA 19 CO 0.02 -0.83 1.41 0.28 0.00 0.00 0.00 175.76 176.63 1x4y h VAL 20 N 5.43 0.81 -2.29 0.00 2.07 -1.70 -3.46 116.25 117.10 1x4y h VAL 20 Ca -0.27 -2.16 0.05 0.00 0.82 0.00 0.00 66.70 65.14 1x4y h VAL 20 Cb 1.13 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1x4y h VAL 20 CO 0.77 0.46 0.26 0.59 0.02 0.00 0.00 177.57 179.67 1x4y n ASN 21 N -3.20 -1.10 0.24 0.57 3.02 -0.55 -4.92 115.26 109.33 1x4y n ASN 21 Ca 0.01 -1.66 0.12 0.00 -0.03 0.00 0.00 54.58 53.03 1x4y n ASN 21 Cb 0.73 1.80 0.56 0.00 -0.61 0.00 0.00 39.78 42.26 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 4.11 -1.88 -2.56 114.58 117.76 1x4y h GLU 22 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1x4y h GLU 22 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1x4y h GLU 22 CO 0.22 0.16 -0.11 0.25 0.07 0.00 0.00 179.01 179.59 1x4y n THR 23 N -3.35 0.99 -4.04 -1.06 -2.24 -1.26 -2.91 114.28 100.42 1x4y n THR 23 Ca -0.00 -1.14 -0.12 0.00 -2.27 0.00 0.00 64.05 60.51 1x4y n THR 23 Cb 0.37 0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.38 0.34 -0.07 4.28 2.01 -1.17 -2.02 115.64 117.62 1x4y s THR 24 Ca 0.13 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 1x4y s THR 24 Cb 0.11 -0.39 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1x4y s THR 24 CO 0.01 -0.27 0.17 -0.63 -0.69 0.00 0.00 174.62 173.22 1x4y s ILE 25 N -0.99 -0.02 -0.17 1.82 1.01 -0.63 -1.49 121.20 120.74 1x4y s ILE 25 Ca -0.08 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 1x4y s ILE 25 Cb -0.07 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.12 1x4y s ILE 25 CO -0.00 0.03 -0.05 -0.32 0.00 0.00 0.00 174.94 174.60 1x4y s MET 26 N 0.58 3.55 0.01 2.79 -2.45 0.12 -0.46 119.30 123.44 1x4y s MET 26 Ca -0.04 -0.57 0.02 0.00 -1.25 0.00 0.00 55.69 53.85 1x4y s MET 26 Cb -0.06 -2.92 -0.01 0.00 1.25 0.00 0.00 34.83 33.10 1x4y s MET 26 CO -0.03 0.10 -0.05 -0.48 1.05 0.00 0.00 175.02 175.61 1x4y s LEU 27 N 0.71 2.07 0.05 4.11 2.34 -0.94 -0.89 118.68 126.13 1x4y s LEU 27 Ca -0.02 -0.21 0.09 0.00 0.06 0.00 0.00 54.13 54.05 1x4y s LEU 27 Cb -0.15 -0.21 -0.03 0.00 -0.56 0.00 0.00 46.19 45.24 1x4y s LEU 27 CO 0.02 -0.01 -0.26 -0.54 -1.06 0.00 0.00 176.35 174.50 1x4y s LYS 28 N -0.49 1.69 0.12 1.48 1.02 0.36 -2.49 119.74 121.43 1x4y s LYS 28 Ca -0.01 -1.11 0.08 0.00 0.02 0.00 0.00 55.97 54.95 1x4y s LYS 28 Cb -0.04 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1x4y s LYS 28 CO -0.00 0.49 -0.20 1.67 -0.92 0.00 0.00 175.35 176.39 1x4y s TRP 29 N -0.83 1.78 0.34 3.18 -2.14 -1.12 -2.22 118.94 117.92 1x4y s TRP 29 Ca 0.11 -0.44 0.08 0.00 2.66 0.00 0.00 56.10 58.51 1x4y s TRP 29 Cb -0.10 -0.95 -0.03 0.00 -3.10 0.00 0.00 33.47 29.29 1x4y s TRP 29 CO 0.02 0.24 0.28 0.00 -2.66 0.00 0.00 176.95 174.83 1x4y s MET 30 N -2.18 2.68 -0.06 3.25 0.23 -0.72 -4.84 119.30 117.68 1x4y s MET 30 Ca 0.09 -1.33 0.03 0.00 -1.03 0.00 0.00 55.69 53.45 1x4y s MET 30 Cb -0.09 -2.44 0.01 0.00 -1.53 0.00 0.00 34.83 30.78 1x4y s MET 30 CO 0.05 0.09 -0.13 -0.47 -2.03 0.00 0.00 175.02 172.53 1x4y s TYR 31 N -2.32 1.48 -0.42 3.16 5.04 -1.26 -2.71 117.35 120.33 1x4y s TYR 31 Ca 0.41 -0.51 0.03 0.00 -2.44 0.00 0.00 57.07 54.56 1x4y s TYR 31 Cb -0.05 -1.06 0.11 0.00 0.35 0.00 0.00 41.96 41.31 1x4y s TYR 31 CO 0.26 -0.24 0.15 0.42 -1.34 0.00 0.00 175.55 174.81 1x4y s ILE 32 N 0.47 2.53 0.25 3.14 1.09 -1.26 -4.95 121.20 122.47 1x4y s ILE 32 Ca -0.11 -2.69 0.21 0.00 -1.10 0.00 0.00 60.65 56.95 1x4y s ILE 32 Cb -0.14 -2.80 0.18 0.00 -1.06 0.00 0.00 42.46 38.63 1x4y s ILE 32 CO 0.03 -0.69 1.84 1.55 -0.10 0.00 0.00 174.94 177.57 1x4y h PRO 33 N 7.23 0.00 0.00 2.79 0.13 -1.99 -3.33 132.00 136.83 1x4y h PRO 33 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1x4y h PRO 33 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1x4y h PRO 33 CO 0.60 0.29 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 1x4y n ALA 34 N -2.30 -0.11 -1.26 -0.56 0.00 -1.26 -1.53 120.51 113.49 1x4y n ALA 34 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1x4y n ALA 34 Cb 0.42 0.37 -0.09 0.00 0.00 0.00 0.00 19.45 20.15 1x4y n ALA 34 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x4y n SER 35 N -2.63 6.01 -4.50 0.00 7.64 -1.25 -4.88 113.62 114.01 1x4y n SER 35 Ca 0.00 -2.93 -0.24 0.00 1.01 0.00 0.00 58.87 56.72 1x4y n SER 35 Cb 0.00 -1.29 -0.11 0.00 -1.01 0.00 0.00 64.21 61.81 1x4y n SER 35 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x4y s ASN 36 N 0.96 2.89 -0.17 6.43 2.47 -0.58 -4.60 114.94 122.34 1x4y s ASN 36 Ca 0.59 -1.36 0.05 0.00 0.42 0.00 0.00 52.86 52.56 1x4y s ASN 36 Cb 0.35 -0.19 0.41 0.00 -1.45 0.00 0.00 41.25 40.37 1x4y s ASN 36 CO -0.13 -0.53 1.30 -3.20 -3.72 0.00 0.00 177.10 170.82 1x4y n ASN 37 N -0.77 3.51 -3.24 -4.21 2.85 -1.26 -4.87 115.26 107.28 1x4y n ASN 37 Ca -0.03 -2.65 -0.20 0.00 -0.11 0.00 0.00 54.58 51.59 1x4y n ASN 37 Cb 0.66 -0.63 -0.02 0.00 1.24 0.00 0.00 39.78 41.04 1x4y n ASN 37 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1x4y n ASN 38 N 0.06 -2.83 -4.88 1.20 6.94 -1.26 -4.91 115.26 109.56 1x4y n ASN 38 Ca 0.22 -0.25 -0.36 0.00 -0.02 0.00 0.00 54.58 54.16 1x4y n ASN 38 Cb 0.91 -2.41 -0.06 0.00 -2.36 0.00 0.00 39.78 35.87 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1x4y s THR 39 N -2.73 5.47 0.52 5.53 -1.32 -1.26 -5.09 115.64 116.76 1x4y s THR 39 Ca 0.33 0.18 -0.21 0.00 -1.21 0.00 0.00 61.69 60.79 1x4y s THR 39 Cb -0.18 -3.44 -0.06 0.00 -1.51 0.00 0.00 72.50 67.30 1x4y s THR 39 CO 0.41 0.57 1.14 -2.16 -2.21 0.00 0.00 174.62 172.36 1x4y s PRO 40 N -1.19 3.48 -0.09 7.08 0.04 -1.26 -4.94 135.00 138.13 1x4y s PRO 40 Ca 0.18 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 1x4y s PRO 40 Cb -0.12 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1x4y s PRO 40 CO 0.07 -0.75 -0.06 0.42 0.04 0.00 0.00 177.00 176.72 1x4y s ILE 41 N -1.70 3.76 0.05 0.56 1.01 -1.26 -4.62 121.20 119.00 1x4y s ILE 41 Ca 0.70 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1x4y s ILE 41 Cb -0.25 -2.56 -0.25 0.00 0.01 0.00 0.00 42.46 39.41 1x4y s ILE 41 CO 0.29 0.58 1.04 0.45 0.00 0.00 0.00 174.94 177.30 1x4y h HIS 42 N 5.55 0.23 -0.33 3.97 3.86 -1.77 -3.44 115.15 123.22 1x4y h HIS 42 Ca -0.45 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 58.59 1x4y h HIS 42 Cb 1.18 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1x4y h HIS 42 CO 0.56 1.17 0.00 0.41 0.86 0.00 0.00 177.93 180.93 1x4y n GLY 43 N 1.51 1.11 2.70 2.45 0.00 -1.21 -3.57 105.19 108.18 1x4y n GLY 43 Ca -0.09 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.36 0.05 0.17 1.61 0.08 0.13 -3.35 117.98 114.31 1x4y s PHE 44 Ca 0.00 0.22 -0.05 0.00 0.12 0.00 0.00 56.93 57.22 1x4y s PHE 44 Cb 0.00 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.99 1x4y s PHE 44 CO 0.00 -0.16 0.41 0.71 -0.10 0.00 0.00 175.22 176.08 1x4y s TYR 45 N 1.82 3.47 -0.05 0.36 2.02 0.28 0.11 117.35 125.36 1x4y s TYR 45 Ca 0.01 0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 57.29 1x4y s TYR 45 Cb -0.12 -2.03 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1x4y s TYR 45 CO -0.03 0.39 0.01 0.42 -1.57 0.00 0.00 175.55 174.77 1x4y s ILE 46 N -1.72 0.21 -0.04 2.71 1.01 -0.89 -0.25 121.20 122.22 1x4y s ILE 46 Ca 0.42 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.22 1x4y s ILE 46 Cb -0.12 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1x4y s ILE 46 CO 0.25 0.20 0.03 -0.31 0.00 0.00 0.00 174.94 175.11 1x4y s TYR 47 N 1.61 3.20 0.01 3.97 1.51 0.16 -1.65 117.35 126.16 1x4y s TYR 47 Ca -0.01 0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 56.04 1x4y s TYR 47 Cb -0.13 -1.75 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1x4y s TYR 47 CO -0.03 0.51 0.42 1.52 -1.11 0.00 0.00 175.55 176.85 1x4y s TYR 48 N -1.05 -0.29 -0.29 2.71 1.13 -1.25 -2.50 117.35 115.81 1x4y s TYR 48 Ca 0.18 0.37 -0.25 0.00 -1.41 0.00 0.00 57.07 55.96 1x4y s TYR 48 Cb -0.12 0.20 0.17 0.00 -1.10 0.00 0.00 41.96 41.12 1x4y s TYR 48 CO 0.08 -0.51 1.30 -0.98 -2.51 0.00 0.00 175.55 172.92 1x4y s ARG 49 N -1.89 0.22 0.48 -3.49 1.04 -1.26 -2.27 118.95 111.78 1x4y s ARG 49 Ca -0.09 0.24 -0.22 0.00 -1.04 0.00 0.00 55.73 54.62 1x4y s ARG 49 Cb -0.02 0.10 -0.07 0.00 -2.04 0.00 0.00 34.95 32.92 1x4y s ARG 49 CO 0.02 -0.03 1.15 -1.25 -0.04 0.00 0.00 175.30 175.15 1x4y s PRO 50 N 0.00 3.65 0.59 3.89 0.04 -1.26 -4.25 135.00 137.66 1x4y s PRO 50 Ca 0.06 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.11 1x4y s PRO 50 Cb -0.05 -2.30 1.63 0.00 0.04 0.00 0.00 34.50 33.83 1x4y s PRO 50 CO -0.12 -0.63 2.06 0.00 0.04 0.00 0.00 177.00 178.35 1x4y h THR 51 N 1.69 0.44 0.00 1.26 1.03 -1.94 0.27 112.91 115.66 1x4y h THR 51 Ca -0.50 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1x4y h THR 51 Cb 1.25 0.79 -0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1x4y h THR 51 CO 0.59 0.00 -0.02 -2.24 -0.01 0.00 0.00 175.52 173.84 1x4y h ASP 52 N 0.00 0.00 -1.55 0.00 3.04 -1.94 -3.45 116.42 112.52 1x4y h ASP 52 Ca 0.11 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.42 1x4y h ASP 52 Cb 0.62 0.00 0.25 0.00 -1.04 0.00 0.00 39.33 39.16 1x4y h ASP 52 CO -0.00 0.02 -2.09 -1.20 -2.04 0.00 0.00 179.24 173.93 1x4y n SER 53 N -3.14 -2.90 -0.12 4.15 7.64 0.96 -4.96 113.62 115.26 1x4y n SER 53 Ca -0.00 -0.03 -0.26 0.00 1.01 0.00 0.00 58.87 59.59 1x4y n SER 53 Cb 0.27 -0.68 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 1x4y n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x4y n ASP 54 N 1.58 1.93 -2.35 6.43 2.03 -1.26 -5.08 116.55 119.83 1x4y n ASP 54 Ca -0.01 0.34 -0.06 0.00 0.52 0.00 0.00 54.79 55.58 1x4y n ASP 54 Cb 0.70 -0.86 0.02 0.00 -0.72 0.00 0.00 41.12 40.26 1x4y n ASP 54 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1x4y n ASN 55 N -4.23 -1.69 0.30 1.67 0.23 -1.26 -4.99 115.26 105.29 1x4y n ASN 55 Ca -0.44 -2.15 0.13 0.00 -0.53 0.00 0.00 54.58 51.58 1x4y n ASN 55 Cb 0.82 2.81 0.65 0.00 -2.08 0.00 0.00 39.78 41.98 1x4y n ASN 55 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1x4y h ASP 56 N 1.47 0.00 0.00 0.53 2.03 -1.98 0.17 116.42 118.64 1x4y h ASP 56 Ca -0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1x4y h ASP 56 Cb 0.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1x4y h ASP 56 CO 0.31 0.00 0.09 -1.28 -1.03 0.00 0.00 179.24 177.34 1x4y h SER 57 N 0.00 0.00 0.10 4.15 0.87 -2.03 -1.22 113.55 115.43 1x4y h SER 57 Ca 0.03 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.28 1x4y h SER 57 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1x4y h SER 57 CO -0.00 0.00 -1.65 0.44 -0.53 0.00 0.00 176.83 175.09 1x4y h ASP 58 N 0.00 0.35 -0.96 6.23 3.32 -1.06 -3.47 116.42 120.82 1x4y h ASP 58 Ca 0.00 -0.84 -0.82 0.00 0.02 0.00 0.00 57.03 55.39 1x4y h ASP 58 Cb 0.19 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.64 1x4y h ASP 58 CO 0.00 1.71 0.49 -1.22 -1.72 0.00 0.00 179.24 178.50 1x4y n TYR 59 N -3.82 1.38 -2.48 4.55 4.01 -0.46 -4.88 117.16 115.47 1x4y n TYR 59 Ca -0.29 1.08 -0.13 0.00 -0.16 0.00 0.00 57.90 58.40 1x4y n TYR 59 Cb 0.93 -2.11 0.07 0.00 -0.31 0.00 0.00 39.34 37.92 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 3.15 0.24 -3.67 -0.72 5.02 -0.96 -4.87 118.16 116.36 1x4y n LYS 60 Ca 0.27 -1.54 -0.13 0.00 -2.02 0.00 0.00 58.31 54.89 1x4y n LYS 60 Cb -0.02 -0.36 -0.13 0.00 -0.02 0.00 0.00 35.03 34.50 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 -3.89 0.16 -0.21 1.97 2.20 -1.25 -3.90 119.74 114.83 1x4y s LYS 61 Ca 0.37 0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1x4y s LYS 61 Cb -0.02 -0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1x4y s LYS 61 CO 0.24 -0.28 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.32 1x4y s ASP 62 N 2.37 3.70 0.31 1.43 1.01 -0.66 -4.89 116.67 119.94 1x4y s ASP 62 Ca 0.00 -0.69 -0.29 0.00 0.71 0.00 0.00 52.55 52.29 1x4y s ASP 62 Cb -0.12 -1.58 -0.10 0.00 1.01 0.00 0.00 42.92 42.14 1x4y s ASP 62 CO -0.09 -0.04 1.17 -0.32 0.21 0.00 0.00 175.17 176.10 1x4y s MET 63 N 1.32 4.50 0.04 8.23 1.75 -1.26 -2.11 119.30 131.78 1x4y s MET 63 Ca 0.03 1.93 0.03 0.00 -1.25 0.00 0.00 55.69 56.43 1x4y s MET 63 Cb -0.14 -3.10 -0.02 0.00 2.84 0.00 0.00 34.83 34.40 1x4y s MET 63 CO -0.09 0.05 -0.09 0.08 -0.65 0.00 0.00 175.02 174.32 1x4y s VAL 64 N -1.18 0.66 0.78 10.11 1.01 0.12 -4.93 120.40 126.96 1x4y s VAL 64 Ca 0.47 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1x4y s VAL 64 Cb -0.34 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 1x4y s VAL 64 CO 0.44 -0.22 0.12 -0.62 0.00 0.00 0.00 175.10 174.82 1x4y n GLU 65 N 1.78 0.09 0.02 2.72 -0.58 -1.26 0.18 120.64 123.59 1x4y n GLU 65 Ca -0.20 0.06 0.14 0.00 -0.42 0.00 0.00 57.16 56.73 1x4y n GLU 65 Cb 0.55 -1.52 0.55 0.00 -0.57 0.00 0.00 31.44 30.45 1x4y n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x4y n GLY 66 N 2.16 -1.54 0.00 0.62 0.00 -1.23 -3.45 105.19 101.75 1x4y n GLY 66 Ca 0.07 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1x4y n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x4y n ASP 67 N -1.68 2.14 -4.67 1.61 8.00 -1.26 -4.84 116.55 115.85 1x4y n ASP 67 Ca 0.07 -0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 1x4y n ASP 67 Cb 0.36 1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 42.91 1x4y n ASP 67 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1x4y s ARG 68 N -2.73 4.31 -0.39 -1.24 3.52 -1.22 -4.92 118.95 116.28 1x4y s ARG 68 Ca -0.03 1.37 0.06 0.00 -0.13 0.00 0.00 55.73 56.99 1x4y s ARG 68 Cb 0.08 -3.61 0.57 0.00 -1.56 0.00 0.00 34.95 30.42 1x4y s ARG 68 CO 0.48 -0.54 1.68 0.66 -0.81 0.00 0.00 175.30 176.77 1x4y n TYR 69 N 5.94 2.13 -3.68 5.12 4.02 -1.26 -4.69 117.16 124.74 1x4y n TYR 69 Ca 0.11 -1.85 -0.12 0.00 -0.01 0.00 0.00 57.90 56.03 1x4y n TYR 69 Cb 0.47 -0.75 -0.09 0.00 -0.02 0.00 0.00 39.34 38.95 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 -3.34 -0.69 -0.01 -0.72 1.48 -1.26 -2.81 118.94 111.59 1x4y s TRP 70 Ca 0.52 1.57 -0.05 0.00 -1.06 0.00 0.00 56.10 57.08 1x4y s TRP 70 Cb 0.45 0.29 0.00 0.00 -1.16 0.00 0.00 33.47 33.05 1x4y s TRP 70 CO 0.04 -0.34 0.10 -1.58 -4.06 0.00 0.00 176.95 171.11 1x4y s HIS 71 N 0.70 0.02 -0.31 1.66 2.46 -1.04 -5.02 115.29 113.76 1x4y s HIS 71 Ca -0.03 -0.05 0.02 0.00 0.47 0.00 0.00 55.06 55.46 1x4y s HIS 71 Cb -0.05 -0.04 0.08 0.00 -0.13 0.00 0.00 32.58 32.44 1x4y s HIS 71 CO -0.05 -0.20 0.00 -1.54 -2.47 0.00 0.00 174.74 170.48 1x4y s SER 72 N -0.93 4.72 0.57 9.88 1.04 -1.26 -2.22 113.70 125.51 1x4y s SER 72 Ca -0.10 -1.73 -0.18 0.00 0.48 0.00 0.00 55.95 54.42 1x4y s SER 72 Cb -0.06 -1.64 -0.04 0.00 0.10 0.00 0.00 66.02 64.38 1x4y s SER 72 CO 0.01 -0.31 1.10 -0.63 0.98 0.00 0.00 173.24 174.39 1x4y s ILE 73 N 1.05 3.37 0.30 -1.02 1.01 0.39 -4.82 121.20 121.49 1x4y s ILE 73 Ca 0.01 0.76 0.05 0.00 0.00 0.00 0.00 60.65 61.47 1x4y s ILE 73 Cb -0.20 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1x4y s ILE 73 CO -0.05 -0.28 0.22 -0.44 0.00 0.00 0.00 174.94 174.39 1x4y s SER 74 N -2.18 1.30 -1.23 3.58 0.01 -1.26 -1.60 113.70 112.32 1x4y s SER 74 Ca 0.69 -1.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.30 1x4y s SER 74 Cb -0.21 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1x4y s SER 74 CO 0.31 -0.98 1.01 1.41 0.41 0.00 0.00 173.24 175.40 1x4y n HIS 75 N -0.53 -2.27 -3.88 2.43 8.25 -0.86 -4.95 115.22 113.41 1x4y n HIS 75 Ca 0.05 0.94 -0.20 0.00 -0.26 0.00 0.00 57.72 58.25 1x4y n HIS 75 Cb 0.64 -5.03 -0.00 0.00 1.12 0.00 0.00 29.99 26.71 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 -4.26 0.00 -4.83 2.41 4.77 -1.17 -5.08 117.00 108.83 1x4y n LEU 76 Ca -0.25 -2.21 -0.38 0.00 -0.03 0.00 0.00 56.01 53.15 1x4y n LEU 76 Cb 0.65 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1x4y n LEU 76 CO 0.62 -0.49 0.08 -1.10 -1.33 0.00 0.00 177.39 175.17 1x4y s GLN 77 N -3.68 3.91 0.40 3.23 1.11 -1.26 -4.63 119.66 118.73 1x4y s GLN 77 Ca 0.21 0.35 -0.25 0.00 0.01 0.00 0.00 55.36 55.68 1x4y s GLN 77 Cb -0.02 -3.24 -0.08 0.00 -1.01 0.00 0.00 33.01 28.66 1x4y s GLN 77 CO 0.13 0.66 1.19 -1.25 0.01 0.00 0.00 175.29 176.03 1x4y s PRO 78 N -0.93 4.03 -1.72 2.91 0.04 -1.14 -3.34 135.00 134.85 1x4y s PRO 78 Ca 0.23 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 1x4y s PRO 78 Cb -0.16 -2.68 0.18 0.00 0.04 0.00 0.00 34.50 31.88 1x4y s PRO 78 CO 0.12 -0.35 0.46 -0.85 0.04 0.00 0.00 177.00 176.42 1x4y n GLU 79 N 0.07 -0.77 -3.83 4.56 0.28 0.11 -4.82 120.64 116.24 1x4y n GLU 79 Ca 0.04 0.12 -0.36 0.00 -0.16 0.00 0.00 57.16 56.80 1x4y n GLU 79 Cb 0.46 -4.25 -0.13 0.00 1.43 0.00 0.00 31.44 28.95 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 -3.33 3.47 -0.61 3.84 2.01 -1.21 -4.87 115.64 114.94 1x4y s THR 80 Ca 0.65 -1.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 1x4y s THR 80 Cb -0.38 -2.86 0.04 0.00 0.01 0.00 0.00 72.50 69.31 1x4y s THR 80 CO 0.96 0.01 1.03 -0.55 -0.69 0.00 0.00 174.62 175.38 1x4y s SER 81 N 1.39 6.29 0.11 3.53 0.15 -1.26 -3.48 113.70 120.42 1x4y s SER 81 Ca -0.01 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.25 1x4y s SER 81 Cb -0.18 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1x4y s SER 81 CO 0.00 -1.40 -0.11 -0.72 1.20 0.00 0.00 173.24 172.22 1x4y s TYR 82 N 4.37 1.15 0.53 3.44 -0.85 -1.26 -4.54 117.35 120.19 1x4y s TYR 82 Ca 0.31 -0.65 -0.20 0.00 -0.52 0.00 0.00 57.07 56.02 1x4y s TYR 82 Cb -0.12 -0.62 -0.06 0.00 0.38 0.00 0.00 41.96 41.54 1x4y s TYR 82 CO 0.18 0.04 1.12 -0.51 -1.52 0.00 0.00 175.55 174.85 1x4y s ASP 83 N -2.52 5.81 -0.02 -0.18 1.01 -1.26 -3.77 116.67 115.74 1x4y s ASP 83 Ca 0.07 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.49 1x4y s ASP 83 Cb -0.03 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1x4y s ASP 83 CO 0.01 -1.16 0.02 -0.63 0.21 0.00 0.00 175.17 173.62 1x4y s ILE 84 N -1.79 0.01 0.20 0.77 1.01 0.28 -4.15 121.20 117.53 1x4y s ILE 84 Ca 0.72 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.55 1x4y s ILE 84 Cb -0.23 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 1x4y s ILE 84 CO 0.26 0.11 0.12 -1.59 0.00 0.00 0.00 174.94 173.84 1x4y s LYS 85 N 1.10 1.20 0.27 2.79 -2.85 -1.04 -0.43 119.74 120.78 1x4y s LYS 85 Ca -0.09 -1.63 -0.08 0.00 -1.00 0.00 0.00 55.97 53.18 1x4y s LYS 85 Cb -0.13 0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.85 1x4y s LYS 85 CO -0.03 -0.37 0.43 0.00 0.10 0.00 0.00 175.35 175.49 1x4y s MET 86 N -4.14 1.63 -0.16 1.78 0.23 -1.26 -0.67 119.30 116.71 1x4y s MET 86 Ca 0.38 -1.48 -0.27 0.00 -1.03 0.00 0.00 55.69 53.29 1x4y s MET 86 Cb 0.07 0.44 0.07 0.00 -1.53 0.00 0.00 34.83 33.88 1x4y s MET 86 CO 0.11 -0.66 0.69 -1.14 -2.03 0.00 0.00 175.02 171.99 1x4y s GLN 87 N -3.68 0.93 0.33 3.16 0.74 0.65 -0.95 119.66 120.85 1x4y s GLN 87 Ca 0.27 0.63 0.02 0.00 0.05 0.00 0.00 55.36 56.33 1x4y s GLN 87 Cb 0.00 0.45 -0.03 0.00 1.10 0.00 0.00 33.01 34.54 1x4y s GLN 87 CO 0.13 -0.21 0.51 0.00 -0.55 0.00 0.00 175.29 175.17 1x4y s PHE 89 N -2.25 0.51 0.30 0.00 -0.71 -1.21 -0.73 117.98 113.88 1x4y s PHE 89 Ca 0.40 -0.87 -0.19 0.00 -1.04 0.00 0.00 56.93 55.23 1x4y s PHE 89 Cb -0.09 -0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.60 1x4y s PHE 89 CO 0.34 -0.70 0.72 0.54 -1.34 0.00 0.00 175.22 174.78 1x4y s ASN 90 N -2.99 -0.20 0.45 1.98 4.22 -0.81 -2.12 114.94 115.47 1x4y s ASN 90 Ca 0.20 -0.73 0.32 0.00 -2.14 0.00 0.00 52.86 50.51 1x4y s ASN 90 Cb 0.04 0.74 1.45 0.00 1.28 0.00 0.00 41.25 44.76 1x4y s ASN 90 CO 0.01 -1.40 1.63 -0.08 -2.04 0.00 0.00 177.10 175.23 1x4y h GLU 91 N 2.01 0.08 0.54 3.55 4.81 -1.95 -0.59 114.58 123.04 1x4y h GLU 91 Ca -0.22 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1x4y h GLU 91 Cb 1.25 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.62 1x4y h GLU 91 CO 0.27 0.05 -0.26 0.78 -0.73 0.00 0.00 179.01 179.12 1x4y h GLY 92 N 0.08 -0.75 0.00 1.92 0.00 -1.91 -3.49 103.07 98.92 1x4y h GLY 92 Ca 0.82 0.28 0.00 0.00 0.00 0.00 0.00 47.33 48.43 1x4y h GLY 92 CO -0.37 -0.27 0.00 0.61 0.00 0.00 0.00 176.54 176.51 1x4y n GLY 93 N -0.13 -1.27 3.83 4.60 0.00 -0.23 -4.39 105.19 107.60 1x4y n GLY 93 Ca -0.09 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1x4y n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4y s GLU 94 N -0.68 4.13 0.64 1.61 2.02 -1.26 -1.93 118.70 123.23 1x4y s GLU 94 Ca 0.00 1.01 0.04 0.00 0.02 0.00 0.00 54.97 56.04 1x4y s GLU 94 Cb 0.00 -2.21 0.12 0.00 0.10 0.00 0.00 34.13 32.14 1x4y s GLU 94 CO 0.00 -0.05 0.88 -1.13 0.02 0.00 0.00 175.26 174.98 1x4y n SER 95 N -0.79 1.58 -4.71 -0.19 3.41 0.09 -4.64 113.62 108.36 1x4y n SER 95 Ca 0.06 -2.24 -0.31 0.00 -0.26 0.00 0.00 58.87 56.12 1x4y n SER 95 Cb 0.54 -0.53 0.13 0.00 -0.26 0.00 0.00 64.21 64.09 1x4y n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4y s GLU 96 N -4.79 1.55 -0.25 4.33 0.41 -1.22 -4.78 118.70 113.95 1x4y s GLU 96 Ca 0.61 1.44 -0.29 0.00 -0.41 0.00 0.00 54.97 56.32 1x4y s GLU 96 Cb -0.04 -1.80 -0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1x4y s GLU 96 CO 0.40 -2.22 1.27 -0.06 -0.49 0.00 0.00 175.26 174.15 1x4y s PHE 97 N -2.68 2.79 1.17 1.61 0.40 -1.26 -4.60 117.98 115.42 1x4y s PHE 97 Ca 0.65 0.96 -0.17 0.00 -0.60 0.00 0.00 56.93 57.77 1x4y s PHE 97 Cb -0.21 -3.72 0.21 0.00 0.51 0.00 0.00 43.02 39.81 1x4y s PHE 97 CO 0.56 -1.61 0.40 0.45 0.70 0.00 0.00 175.22 175.72 1x4y n SER 98 N 7.16 -2.72 -3.98 1.36 2.88 -0.12 -4.97 113.62 113.23 1x4y n SER 98 Ca 0.14 -0.33 -0.30 0.00 -1.33 0.00 0.00 58.87 57.06 1x4y n SER 98 Cb 0.46 -0.97 0.25 0.00 -0.75 0.00 0.00 64.21 63.19 1x4y n SER 98 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x4y s ASN 99 N -2.17 0.50 -0.24 -3.46 4.22 -1.26 -4.68 114.94 107.85 1x4y s ASN 99 Ca 0.56 0.97 -0.07 0.00 -2.14 0.00 0.00 52.86 52.18 1x4y s ASN 99 Cb -0.13 -1.44 -0.03 0.00 1.28 0.00 0.00 41.25 40.93 1x4y s ASN 99 CO 0.57 -4.42 0.05 -0.69 -2.04 0.00 0.00 177.10 170.57 1x4y s VAL 100 N -2.64 4.18 -0.14 3.54 1.01 -1.26 -4.44 120.40 120.64 1x4y s VAL 100 Ca 0.69 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1x4y s VAL 100 Cb -0.16 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1x4y s VAL 100 CO 0.59 0.37 -0.12 -0.04 0.00 0.00 0.00 175.10 175.89 1x4y s MET 101 N 1.46 3.38 -0.55 2.72 -1.94 0.43 -4.91 119.30 119.89 1x4y s MET 101 Ca 0.05 -0.68 -0.18 0.00 -1.71 0.00 0.00 55.69 53.17 1x4y s MET 101 Cb -0.15 -2.66 0.09 0.00 2.01 0.00 0.00 34.83 34.12 1x4y s MET 101 CO 0.02 0.17 0.64 0.42 -0.01 0.00 0.00 175.02 176.27 1x4y s ILE 102 N 0.46 4.90 -0.31 2.53 1.01 -1.26 -0.56 121.20 127.97 1x4y s ILE 102 Ca -0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.68 1x4y s ILE 102 Cb -0.16 -4.39 0.06 0.00 0.01 0.00 0.00 42.46 37.99 1x4y s ILE 102 CO 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 174.94 174.03 1x4y s GLU 104 N 1.17 4.56 0.83 0.00 2.12 -1.26 -4.44 118.70 121.68 1x4y s GLU 104 Ca -0.03 1.63 -0.14 0.00 0.36 0.00 0.00 54.97 56.79 1x4y s GLU 104 Cb -0.20 -3.35 0.20 0.00 0.26 0.00 0.00 34.13 31.04 1x4y s GLU 104 CO -0.03 -0.01 0.80 0.25 -0.54 0.00 0.00 175.26 175.73 1x4y n THR 105 N 3.15 0.00 -3.39 -1.70 -2.24 -1.23 -4.51 114.28 104.36 1x4y n THR 105 Ca 0.05 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 1x4y n THR 105 Cb 0.48 -1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 67.40 1x4y n THR 105 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x4y s LYS 106 N -4.81 3.69 0.02 -0.78 -0.14 -0.97 -4.07 119.74 112.68 1x4y s LYS 106 Ca 0.51 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.90 1x4y s LYS 106 Cb -0.04 -2.67 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 1x4y s LYS 106 CO 0.38 0.27 1.28 0.00 -0.76 0.00 0.00 175.35 176.53 1x4y s ALA 107 N -1.95 3.50 -0.47 5.17 0.00 -1.26 0.10 121.76 126.85 1x4y s ALA 107 Ca 0.45 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.97 1x4y s ALA 107 Cb -0.11 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 1x4y s ALA 107 CO 0.27 -0.68 2.39 2.89 0.00 0.00 0.00 175.76 180.62 1x4y n ARG 108 N 4.68 1.15 -4.08 0.00 1.85 -1.26 -4.83 116.66 114.17 1x4y n ARG 108 Ca 0.11 0.13 -0.26 0.00 -1.00 0.00 0.00 57.85 56.83 1x4y n ARG 108 Cb 0.45 -3.17 -0.05 0.00 -1.05 0.00 0.00 32.46 28.64 1x4y n ARG 108 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1x4y s SER 109 N 10.81 5.58 0.36 2.89 1.04 -1.26 -5.10 113.70 128.01 1x4y s SER 109 Ca 1.03 -0.12 -0.15 0.00 0.48 0.00 0.00 55.95 57.19 1x4y s SER 109 Cb -0.35 -1.47 0.04 0.00 0.10 0.00 0.00 66.02 64.34 1x4y s SER 109 CO 0.32 0.06 0.73 -0.83 0.98 0.00 0.00 173.24 174.50 1x4y s GLY 110 N -3.16 0.43 0.00 7.32 0.00 -1.26 -5.01 107.32 105.64 1x4y s GLY 110 Ca 0.31 -0.77 0.13 0.00 0.00 0.00 0.00 44.72 44.39 1x4y s GLY 110 CO 0.24 -0.37 1.19 -1.55 0.00 0.00 0.00 173.10 172.61 1x4y n PRO 111 N -0.52 0.49 -0.27 2.90 -0.04 -1.26 -3.99 135.00 132.31 1x4y n PRO 111 Ca -0.06 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.66 1x4y n PRO 111 Cb 0.60 -1.41 0.48 0.00 -0.04 0.00 0.00 33.50 33.12 1x4y n PRO 111 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x4y n SER 112 N -0.91 0.25 -4.64 3.54 3.41 -1.26 -4.21 113.62 109.81 1x4y n SER 112 Ca 0.10 1.25 -0.43 0.00 -0.26 0.00 0.00 58.87 59.53 1x4y n SER 112 Cb 0.04 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 1x4y n SER 112 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4y n SER 113 N -4.66 3.81 0.00 4.04 7.64 -1.26 -5.32 113.62 117.87 1x4y n SER 113 Ca 0.30 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1x4y n SER 113 Cb 1.05 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1x4y n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64