#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4y h SER 2 N 0.00 -1.13 -2.64 1.61 4.64 -2.05 -3.18 113.55 110.79 1x4y h SER 2 Ca 0.00 0.08 -0.67 0.00 -0.47 0.00 0.00 61.79 60.73 1x4y h SER 2 Cb 0.00 0.35 -0.17 0.00 -0.31 0.00 0.00 62.40 62.28 1x4y h SER 2 CO 0.00 -0.61 0.55 -0.55 -0.87 0.00 0.00 176.83 175.35 1x4y s SER 3 N -3.94 6.34 0.00 4.97 0.15 -1.26 -4.24 113.70 115.72 1x4y s SER 3 Ca -0.16 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.03 1x4y s SER 3 Cb 0.03 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1x4y s SER 3 CO 0.51 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1x4y n GLY 4 N 5.35 0.76 3.56 9.45 0.00 -1.26 -5.00 105.19 118.05 1x4y n GLY 4 Ca 0.05 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 1x4y n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4y s SER 5 N -1.45 4.83 -1.41 1.61 0.01 -1.20 -3.19 113.70 112.89 1x4y s SER 5 Ca 0.00 -0.29 -0.10 0.00 1.31 0.00 0.00 55.95 56.87 1x4y s SER 5 Cb 0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.71 1x4y s SER 5 CO 0.00 -2.97 1.11 -1.20 0.41 0.00 0.00 173.24 170.59 1x4y n SER 6 N 15.01 -5.63 0.00 2.44 7.64 -1.26 -4.68 113.62 127.13 1x4y n SER 6 Ca 0.39 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1x4y n SER 6 Cb 0.47 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1x4y n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4y n GLY 7 N -1.87 -1.85 3.76 0.23 0.00 -1.19 -4.13 105.19 100.13 1x4y n GLY 7 Ca 0.01 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 4.45 0.00 1.61 0.04 -1.26 -4.79 135.00 135.05 1x4y s PRO 8 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x4y s PRO 8 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1x4y s PRO 8 CO 0.00 -0.08 0.00 1.33 0.04 0.00 0.00 177.00 178.29 1x4y n VAL 9 N 1.33 0.00 -0.38 -0.36 0.24 -1.26 -3.59 118.33 114.31 1x4y n VAL 9 Ca 0.01 0.00 0.32 0.00 -2.04 0.00 0.00 64.34 62.63 1x4y n VAL 9 Cb 0.43 -0.52 0.52 0.00 -1.47 0.00 0.00 33.84 32.81 1x4y n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4y n ALA 10 N -2.38 1.09 -1.64 2.33 0.00 -1.26 -2.95 120.51 115.69 1x4y n ALA 10 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1x4y n ALA 10 Cb 0.40 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1x4y n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4y n GLY 11 N -1.44 -4.19 3.74 0.00 0.00 -1.26 -4.88 105.19 97.15 1x4y n GLY 11 Ca 0.31 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.67 1.62 -0.08 1.61 0.04 -1.26 -4.83 135.00 127.43 1x4y s PRO 12 Ca 0.00 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1x4y s PRO 12 Cb 0.00 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x4y s PRO 12 CO 0.00 -2.02 -0.06 -0.47 0.04 0.00 0.00 177.00 174.49 1x4y s TYR 13 N -2.93 1.11 -0.06 0.56 5.04 -0.93 -4.57 117.35 115.58 1x4y s TYR 13 Ca 0.63 -0.44 -0.30 0.00 -2.44 0.00 0.00 57.07 54.51 1x4y s TYR 13 Cb -0.18 -0.97 -0.03 0.00 0.35 0.00 0.00 41.96 41.14 1x4y s TYR 13 CO 0.57 -0.35 1.14 0.42 -1.34 0.00 0.00 175.55 175.98 1x4y s ILE 14 N 1.41 4.40 0.00 3.14 1.01 -1.26 0.10 121.20 129.99 1x4y s ILE 14 Ca -0.02 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.34 1x4y s ILE 14 Cb -0.13 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1x4y s ILE 14 CO -0.04 0.01 0.78 0.35 0.00 0.00 0.00 174.94 176.05 1x4y n THR 15 N 4.55 0.61 -3.66 2.92 -2.24 -0.91 -4.96 114.28 110.58 1x4y n THR 15 Ca 0.10 -0.71 -0.08 0.00 -2.27 0.00 0.00 64.05 61.09 1x4y n THR 15 Cb 0.47 0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.61 -0.84 -0.16 4.78 2.19 -1.15 -4.99 117.98 117.20 1x4y s PHE 16 Ca 0.00 1.60 -0.04 0.00 0.33 0.00 0.00 56.93 58.82 1x4y s PHE 16 Cb 0.00 0.36 0.07 0.00 -1.31 0.00 0.00 43.02 42.14 1x4y s PHE 16 CO 0.00 -0.48 0.14 0.95 1.83 0.00 0.00 175.22 177.65 1x4y s THR 17 N 2.44 -0.18 0.05 0.12 -4.23 -1.26 -1.16 115.64 111.42 1x4y s THR 17 Ca -0.04 -0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 1x4y s THR 17 Cb -0.11 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 1x4y s THR 17 CO -0.14 -0.16 0.03 -1.81 -0.54 0.00 0.00 174.62 172.00 1x4y s ASP 18 N 2.22 0.32 -0.34 3.99 1.01 -0.41 -4.95 116.67 118.52 1x4y s ASP 18 Ca 0.04 -0.75 -0.18 0.00 0.71 0.00 0.00 52.55 52.37 1x4y s ASP 18 Cb -0.15 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 43.98 1x4y s ASP 18 CO -0.09 -0.54 0.49 0.00 0.21 0.00 0.00 175.17 175.24 1x4y s ALA 19 N -3.13 3.49 0.05 5.23 0.00 -1.26 -0.39 121.76 125.75 1x4y s ALA 19 Ca -0.00 -1.02 0.16 0.00 0.00 0.00 0.00 51.96 51.10 1x4y s ALA 19 Cb 0.02 -2.98 0.34 0.00 0.00 0.00 0.00 23.12 20.51 1x4y s ALA 19 CO -0.07 -1.16 1.57 0.28 0.00 0.00 0.00 175.76 176.38 1x4y h VAL 20 N 5.59 1.00 -2.77 0.00 2.07 -1.71 -3.47 116.25 116.95 1x4y h VAL 20 Ca -0.28 -2.02 0.07 0.00 0.82 0.00 0.00 66.70 65.29 1x4y h VAL 20 Cb 1.13 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1x4y h VAL 20 CO 0.76 0.49 0.42 0.20 0.02 0.00 0.00 177.57 179.46 1x4y s ASN 21 N -6.49 -0.00 0.53 0.57 0.01 -0.57 -4.91 114.94 104.07 1x4y s ASN 21 Ca 0.02 -0.90 0.27 0.00 -0.71 0.00 0.00 52.86 51.53 1x4y s ASN 21 Cb 0.10 0.68 1.48 0.00 0.41 0.00 0.00 41.25 43.92 1x4y s ASN 21 CO 0.73 -1.35 2.10 1.05 -1.51 0.00 0.00 177.10 178.12 1x4y h GLU 22 N 2.00 0.00 0.00 -0.60 9.09 -1.88 -2.71 114.58 120.48 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 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1x4y h GLU 22 CO 0.38 0.10 -0.09 0.25 0.05 0.00 0.00 179.01 179.70 1x4y n THR 23 N -3.75 1.10 -4.11 -1.06 -2.24 -1.26 -3.07 114.28 99.89 1x4y n THR 23 Ca -0.02 -1.26 -0.14 0.00 -2.27 0.00 0.00 64.05 60.35 1x4y n THR 23 Cb 0.21 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.53 0.59 -0.09 4.28 2.01 -1.03 -2.33 115.64 117.55 1x4y s THR 24 Ca 0.14 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1x4y s THR 24 Cb 0.12 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 72.05 1x4y s THR 24 CO 0.01 -0.26 0.21 -0.63 -0.69 0.00 0.00 174.62 173.26 1x4y s ILE 25 N -1.11 -0.03 -0.15 1.82 1.01 -0.81 -1.51 121.20 120.43 1x4y s ILE 25 Ca -0.07 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 1x4y s ILE 25 Cb -0.08 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1x4y s ILE 25 CO 0.00 0.04 -0.04 -0.32 0.00 0.00 0.00 174.94 174.63 1x4y s MET 26 N 0.85 3.59 -0.01 2.79 -2.45 0.48 -0.15 119.30 124.39 1x4y s MET 26 Ca -0.06 -0.52 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 1x4y s MET 26 Cb -0.08 -2.88 0.01 0.00 1.25 0.00 0.00 34.83 33.13 1x4y s MET 26 CO -0.05 0.29 0.00 -0.48 1.05 0.00 0.00 175.02 175.83 1x4y s LEU 27 N 0.23 1.52 -0.08 4.11 2.34 -0.95 -1.28 118.68 124.57 1x4y s LEU 27 Ca -0.03 -0.01 0.02 0.00 0.06 0.00 0.00 54.13 54.18 1x4y s LEU 27 Cb -0.14 -0.12 -0.02 0.00 -0.56 0.00 0.00 46.19 45.35 1x4y s LEU 27 CO 0.03 -0.05 -0.14 -0.54 -1.06 0.00 0.00 176.35 174.58 1x4y s LYS 28 N 0.55 2.83 0.25 1.48 1.02 -0.31 -2.75 119.74 122.82 1x4y s LYS 28 Ca -0.05 -0.70 0.10 0.00 0.02 0.00 0.00 55.97 55.34 1x4y s LYS 28 Cb -0.08 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1x4y s LYS 28 CO -0.01 0.46 -0.07 1.67 -0.92 0.00 0.00 175.35 176.49 1x4y s TRP 29 N -0.31 2.59 0.40 3.18 -2.14 -0.81 -2.15 118.94 119.70 1x4y s TRP 29 Ca 0.03 -0.25 0.07 0.00 2.66 0.00 0.00 56.10 58.61 1x4y s TRP 29 Cb -0.13 -1.17 -0.07 0.00 -3.10 0.00 0.00 33.47 29.01 1x4y s TRP 29 CO 0.03 0.62 0.07 0.00 -2.66 0.00 0.00 176.95 175.01 1x4y s MET 30 N -3.47 2.07 -0.03 3.25 0.23 0.11 -4.83 119.30 116.63 1x4y s MET 30 Ca 0.30 -1.97 0.02 0.00 -1.03 0.00 0.00 55.69 53.00 1x4y s MET 30 Cb -0.07 -1.80 0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1x4y s MET 30 CO 0.18 -0.05 -0.07 -0.47 -2.03 0.00 0.00 175.02 172.58 1x4y s TYR 31 N -2.65 0.81 -0.29 3.16 6.14 -1.26 -2.18 117.35 121.08 1x4y s TYR 31 Ca 0.37 -0.21 -0.18 0.00 0.64 0.00 0.00 57.07 57.69 1x4y s TYR 31 Cb 0.07 -0.63 -0.02 0.00 0.42 0.00 0.00 41.96 41.79 1x4y s TYR 31 CO 0.20 -0.13 0.52 0.42 0.64 0.00 0.00 175.55 177.19 1x4y s ILE 32 N 0.49 5.05 0.09 3.14 -1.09 -1.26 -4.96 121.20 122.65 1x4y s ILE 32 Ca -0.07 0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 58.90 1x4y s ILE 32 Cb -0.11 -3.87 -0.10 0.00 -1.58 0.00 0.00 42.46 36.80 1x4y s ILE 32 CO 0.00 -0.01 1.41 1.55 -1.23 0.00 0.00 174.94 176.66 1x4y h PRO 33 N 8.17 0.63 0.01 2.79 0.13 -2.00 -3.33 132.00 138.40 1x4y h PRO 33 Ca -0.29 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1x4y h PRO 33 Cb 1.14 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1x4y h PRO 33 CO 0.73 0.93 -0.06 0.00 -0.23 0.00 0.00 178.00 179.38 1x4y h ALA 34 N 0.69 -0.58 0.00 -0.56 0.00 -2.07 -2.39 119.26 114.35 1x4y h ALA 34 Ca 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1x4y h ALA 34 Cb 0.82 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1x4y h ALA 34 CO 0.06 -0.59 -0.06 -1.13 0.00 0.00 0.00 179.25 177.53 1x4y n SER 35 N -2.78 4.31 -4.52 0.00 3.41 -1.25 -4.83 113.62 107.94 1x4y n SER 35 Ca -0.01 -2.29 -0.34 0.00 -0.26 0.00 0.00 58.87 55.97 1x4y n SER 35 Cb 0.04 -1.14 -0.12 0.00 -0.26 0.00 0.00 64.21 62.73 1x4y n SER 35 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1x4y s ASN 36 N 2.22 4.69 -0.09 4.04 2.47 -0.90 -4.45 114.94 122.93 1x4y s ASN 36 Ca 0.54 -0.10 0.02 0.00 0.42 0.00 0.00 52.86 53.74 1x4y s ASN 36 Cb 0.25 -1.55 0.17 0.00 -1.45 0.00 0.00 41.25 38.67 1x4y s ASN 36 CO -0.00 0.24 1.06 0.59 -3.72 0.00 0.00 177.10 175.27 1x4y n ASN 37 N 3.03 2.78 -3.85 -4.21 3.02 -1.26 -4.83 115.26 109.93 1x4y n ASN 37 Ca -0.18 -2.32 -0.29 0.00 -0.03 0.00 0.00 54.58 51.77 1x4y n ASN 37 Cb 0.53 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1x4y n ASN 37 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1x4y n ASN 38 N 0.13 -1.85 -4.44 6.41 4.13 -1.26 -4.46 115.26 113.92 1x4y n ASN 38 Ca 0.11 -0.67 -0.33 0.00 1.68 0.00 0.00 54.58 55.37 1x4y n ASN 38 Cb 0.66 -1.63 -0.13 0.00 -1.54 0.00 0.00 39.78 37.14 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1x4y s THR 39 N -2.87 3.13 0.23 3.41 -1.32 -1.26 -5.10 115.64 111.86 1x4y s THR 39 Ca 0.56 -0.66 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 1x4y s THR 39 Cb -0.32 -2.28 -0.09 0.00 -1.51 0.00 0.00 72.50 68.30 1x4y s THR 39 CO 0.69 0.56 1.29 -2.16 -2.21 0.00 0.00 174.62 172.78 1x4y s PRO 40 N -0.20 4.41 -0.10 7.08 0.04 -1.26 -4.97 135.00 139.99 1x4y s PRO 40 Ca 0.01 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1x4y s PRO 40 Cb -0.13 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1x4y s PRO 40 CO 0.03 -0.20 0.29 0.42 0.04 0.00 0.00 177.00 177.59 1x4y s ILE 41 N -0.19 5.27 0.11 0.56 1.01 -1.26 -4.61 121.20 122.08 1x4y s ILE 41 Ca 0.54 0.56 -0.13 0.00 0.00 0.00 0.00 60.65 61.62 1x4y s ILE 41 Cb -0.36 -3.60 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 1x4y s ILE 41 CO 0.41 0.50 1.37 0.45 0.00 0.00 0.00 174.94 177.67 1x4y h HIS 42 N 5.68 1.03 0.00 3.97 3.86 -1.87 -3.44 115.15 124.38 1x4y h HIS 42 Ca -0.48 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.35 1x4y h HIS 42 Cb 1.20 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1x4y h HIS 42 CO 0.67 1.20 0.00 0.41 0.86 0.00 0.00 177.93 181.07 1x4y n GLY 43 N 0.44 2.11 3.45 2.45 0.00 -1.25 -3.73 105.19 108.65 1x4y n GLY 43 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.63 -0.95 -0.08 1.61 0.08 0.87 -4.37 117.98 115.77 1x4y s PHE 44 Ca 0.00 1.81 -0.05 0.00 0.12 0.00 0.00 56.93 58.80 1x4y s PHE 44 Cb 0.00 0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 42.90 1x4y s PHE 44 CO 0.00 -0.50 0.14 0.71 -0.10 0.00 0.00 175.22 175.47 1x4y s TYR 45 N 2.15 3.56 -0.08 0.36 2.02 0.53 0.60 117.35 126.49 1x4y s TYR 45 Ca -0.07 0.45 0.02 0.00 -0.37 0.00 0.00 57.07 57.11 1x4y s TYR 45 Cb -0.09 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1x4y s TYR 45 CO -0.16 0.70 -0.12 0.42 -1.57 0.00 0.00 175.55 174.81 1x4y s ILE 46 N -1.12 1.19 0.01 2.71 1.01 -0.83 -0.23 121.20 123.94 1x4y s ILE 46 Ca 0.19 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1x4y s ILE 46 Cb -0.12 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1x4y s ILE 46 CO 0.09 0.37 0.01 -0.31 0.00 0.00 0.00 174.94 175.10 1x4y s TYR 47 N 0.88 3.08 -0.03 3.97 1.51 0.54 -1.29 117.35 126.01 1x4y s TYR 47 Ca -0.10 0.07 -0.26 0.00 -1.01 0.00 0.00 57.07 55.77 1x4y s TYR 47 Cb -0.15 -1.66 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 1x4y s TYR 47 CO 0.01 0.47 0.57 1.52 -1.11 0.00 0.00 175.55 177.00 1x4y s TYR 48 N -1.12 -0.51 -0.26 2.71 1.13 -1.25 -2.60 117.35 115.45 1x4y s TYR 48 Ca 0.21 0.82 -0.26 0.00 -1.41 0.00 0.00 57.07 56.43 1x4y s TYR 48 Cb -0.12 0.32 0.13 0.00 -1.10 0.00 0.00 41.96 41.20 1x4y s TYR 48 CO 0.12 -0.56 1.08 -0.98 -2.51 0.00 0.00 175.55 172.70 1x4y s ARG 49 N -1.40 0.46 0.49 -3.49 1.04 -1.26 -2.23 118.95 112.55 1x4y s ARG 49 Ca -0.11 0.43 -0.22 0.00 -1.04 0.00 0.00 55.73 54.80 1x4y s ARG 49 Cb -0.01 0.22 -0.07 0.00 -2.04 0.00 0.00 34.95 33.05 1x4y s ARG 49 CO 0.07 -0.08 1.15 -1.25 -0.04 0.00 0.00 175.30 175.15 1x4y s PRO 50 N -0.08 3.61 0.63 3.89 0.04 -1.26 -4.19 135.00 137.64 1x4y s PRO 50 Ca 0.03 1.71 0.36 0.00 0.04 0.00 0.00 61.00 63.14 1x4y s PRO 50 Cb -0.04 -2.26 2.01 0.00 0.04 0.00 0.00 34.50 34.25 1x4y s PRO 50 CO -0.06 -0.66 2.22 0.00 0.04 0.00 0.00 177.00 178.54 1x4y h THR 51 N 1.63 0.22 0.00 1.26 1.03 -1.94 0.24 112.91 115.36 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 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1x4y h THR 51 CO 0.59 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.57 1x4y n ASP 52 N -3.38 0.00 -3.26 0.00 8.00 -1.26 -4.84 116.55 111.81 1x4y n ASP 52 Ca -0.02 0.08 -0.27 0.00 0.71 0.00 0.00 54.79 55.29 1x4y n ASP 52 Cb 0.18 -0.33 0.26 0.00 -0.02 0.00 0.00 41.12 41.20 1x4y n ASP 52 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x4y n SER 53 N -1.33 -3.92 -0.04 -2.24 7.64 0.85 -5.02 113.62 109.56 1x4y n SER 53 Ca 0.10 -0.76 -0.08 0.00 1.01 0.00 0.00 58.87 59.13 1x4y n SER 53 Cb 0.21 -0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 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 -4.93 0.63 -2.18 6.43 -0.08 -1.26 -5.08 116.55 110.08 1x4y n ASP 54 Ca 0.12 0.09 -0.06 0.00 -1.51 0.00 0.00 54.79 53.43 1x4y n ASP 54 Cb 0.52 -0.23 0.02 0.00 2.34 0.00 0.00 41.12 43.77 1x4y n ASP 54 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1x4y n ASN 55 N -3.34 -1.49 0.12 1.67 0.23 -1.26 -4.99 115.26 106.19 1x4y n ASN 55 Ca -0.16 -2.06 0.17 0.00 -0.53 0.00 0.00 54.58 52.01 1x4y n ASN 55 Cb 0.61 2.50 0.54 0.00 -2.08 0.00 0.00 39.78 41.35 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 1.30 0.00 0.00 0.53 3.04 -2.00 0.20 116.42 119.49 1x4y h ASP 56 Ca -0.22 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 1x4y h ASP 56 Cb 0.81 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.10 1x4y h ASP 56 CO 0.28 0.00 0.28 -1.28 -2.04 0.00 0.00 179.24 176.47 1x4y h SER 57 N 0.00 0.00 0.00 4.15 0.87 -2.03 -1.35 113.55 115.19 1x4y h SER 57 Ca 0.19 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.36 1x4y h SER 57 Cb 1.63 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.54 1x4y h SER 57 CO -0.00 0.00 -2.10 0.47 -0.53 0.00 0.00 176.83 174.67 1x4y n ASP 58 N -2.25 1.93 -3.31 6.23 9.92 0.71 -4.97 116.55 124.81 1x4y n ASP 58 Ca -0.01 0.35 -0.44 0.00 -0.53 0.00 0.00 54.79 54.15 1x4y n ASP 58 Cb 0.30 -0.86 -0.06 0.00 -0.64 0.00 0.00 41.12 39.87 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 -4.26 0.63 -3.12 1.24 4.01 -0.51 -4.89 117.16 110.26 1x4y n TYR 59 Ca -0.46 0.78 -0.10 0.00 -0.16 0.00 0.00 57.90 57.96 1x4y n TYR 59 Cb 0.83 -1.54 0.03 0.00 -0.31 0.00 0.00 39.34 38.34 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 1.46 0.84 -3.69 -0.72 5.02 -0.95 -4.89 118.16 115.24 1x4y n LYS 60 Ca 0.16 -1.59 -0.13 0.00 -2.02 0.00 0.00 58.31 54.73 1x4y n LYS 60 Cb 0.04 -0.08 -0.13 0.00 -0.02 0.00 0.00 35.03 34.84 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 -3.29 0.20 -0.23 1.97 2.20 -1.25 -3.88 119.74 115.46 1x4y s LYS 61 Ca 0.28 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.61 1x4y s LYS 61 Cb -0.02 -0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1x4y s LYS 61 CO 0.18 -0.23 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.29 1x4y s ASP 62 N 1.95 3.93 0.16 1.43 1.01 -0.41 -4.88 116.67 119.86 1x4y s ASP 62 Ca -0.03 -1.08 -0.30 0.00 0.71 0.00 0.00 52.55 51.84 1x4y s ASP 62 Cb -0.11 -1.53 -0.07 0.00 1.01 0.00 0.00 42.92 42.22 1x4y s ASP 62 CO -0.09 -0.11 1.16 -0.32 0.21 0.00 0.00 175.17 176.01 1x4y s MET 63 N 1.19 4.52 0.07 8.23 1.75 -1.26 -1.97 119.30 131.83 1x4y s MET 63 Ca -0.03 1.79 0.05 0.00 -1.25 0.00 0.00 55.69 56.25 1x4y s MET 63 Cb -0.17 -3.27 -0.03 0.00 2.84 0.00 0.00 34.83 34.20 1x4y s MET 63 CO -0.08 -0.05 -0.13 0.08 -0.65 0.00 0.00 175.02 174.19 1x4y s VAL 64 N 0.06 1.04 0.55 10.11 1.01 0.20 -4.93 120.40 128.44 1x4y s VAL 64 Ca 0.52 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 1x4y s VAL 64 Cb -0.31 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 1x4y s VAL 64 CO 0.35 -0.26 0.51 -0.62 0.00 0.00 0.00 175.10 175.08 1x4y n GLU 65 N 1.26 0.51 0.12 2.72 -0.58 -1.26 -0.09 120.64 123.32 1x4y n GLU 65 Ca -0.21 0.20 -0.03 0.00 -0.42 0.00 0.00 57.16 56.70 1x4y n GLU 65 Cb 0.54 -1.66 0.17 0.00 -0.57 0.00 0.00 31.44 29.92 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 0.31 0.12 1.73 0.62 0.00 -1.81 -2.84 103.07 101.20 1x4y h GLY 66 Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1x4y h GLY 66 CO 0.47 0.13 -0.15 1.34 0.00 0.00 0.00 176.54 178.33 1x4y n ASP 67 N -3.87 0.28 -4.72 0.19 2.03 -1.26 -4.80 116.55 104.40 1x4y n ASP 67 Ca -0.02 0.32 -0.39 0.00 0.52 0.00 0.00 54.79 55.23 1x4y n ASP 67 Cb 0.59 -0.34 -0.05 0.00 -0.72 0.00 0.00 41.12 40.60 1x4y n ASP 67 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1x4y s ARG 68 N -3.03 4.40 -0.09 -0.67 6.06 -1.07 -4.95 118.95 119.61 1x4y s ARG 68 Ca 0.12 0.72 0.12 0.00 -2.50 0.00 0.00 55.73 54.20 1x4y s ARG 68 Cb 0.17 -3.44 0.33 0.00 0.06 0.00 0.00 34.95 32.08 1x4y s ARG 68 CO 0.59 0.11 1.25 0.66 -2.50 0.00 0.00 175.30 175.42 1x4y n TYR 69 N 3.68 0.48 -3.87 5.12 4.02 -1.26 -4.78 117.16 120.54 1x4y n TYR 69 Ca -0.04 -0.72 -0.11 0.00 -0.01 0.00 0.00 57.90 57.02 1x4y n TYR 69 Cb 0.51 -0.15 -0.11 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.97 0.01 0.03 -0.72 1.48 -1.26 -1.92 118.94 114.59 1x4y s TRP 70 Ca 0.28 -0.04 -0.12 0.00 -1.06 0.00 0.00 56.10 55.15 1x4y s TRP 70 Cb 0.21 -0.04 0.02 0.00 -1.16 0.00 0.00 33.47 32.50 1x4y s TRP 70 CO 0.08 -0.23 0.27 -1.58 -4.06 0.00 0.00 176.95 171.43 1x4y s HIS 71 N -1.06 -0.07 -0.29 1.66 2.46 -1.11 -5.02 115.29 111.87 1x4y s HIS 71 Ca -0.11 -0.06 0.02 0.00 0.47 0.00 0.00 55.06 55.38 1x4y s HIS 71 Cb -0.06 0.06 0.08 0.00 -0.13 0.00 0.00 32.58 32.52 1x4y s HIS 71 CO 0.01 -0.46 -0.01 -1.54 -2.47 0.00 0.00 174.74 170.27 1x4y s SER 72 N -1.93 4.36 0.69 9.88 1.04 -1.26 -2.24 113.70 124.23 1x4y s SER 72 Ca -0.07 -1.66 -0.13 0.00 0.48 0.00 0.00 55.95 54.58 1x4y s SER 72 Cb -0.02 -1.39 0.01 0.00 0.10 0.00 0.00 66.02 64.72 1x4y s SER 72 CO -0.02 -0.30 1.08 -0.63 0.98 0.00 0.00 173.24 174.35 1x4y s ILE 73 N 1.17 3.53 0.36 -1.02 1.01 0.78 -4.84 121.20 122.18 1x4y s ILE 73 Ca 0.02 0.60 -0.02 0.00 0.00 0.00 0.00 60.65 61.25 1x4y s ILE 73 Cb -0.19 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1x4y s ILE 73 CO -0.09 -0.55 0.49 -0.44 0.00 0.00 0.00 174.94 174.35 1x4y s SER 74 N -3.11 1.03 -1.23 3.58 0.01 -1.26 -1.92 113.70 110.79 1x4y s SER 74 Ca 0.63 -1.53 -0.03 0.00 1.31 0.00 0.00 55.95 56.33 1x4y s SER 74 Cb -0.17 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1x4y s SER 74 CO 0.48 -1.32 1.05 1.41 0.41 0.00 0.00 173.24 175.26 1x4y n HIS 75 N -0.59 -2.38 -3.89 2.43 8.25 -0.99 -4.95 115.22 113.10 1x4y n HIS 75 Ca 0.01 0.95 -0.15 0.00 -0.26 0.00 0.00 57.72 58.27 1x4y n HIS 75 Cb 0.61 -5.03 -0.01 0.00 1.12 0.00 0.00 29.99 26.69 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 -4.37 0.00 -4.88 2.41 4.77 -1.14 -5.09 117.00 108.70 1x4y n LEU 76 Ca -0.19 -1.62 -0.35 0.00 -0.03 0.00 0.00 56.01 53.82 1x4y n LEU 76 Cb 0.63 0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 1x4y n LEU 76 CO 0.61 -0.39 -0.10 -1.10 -1.33 0.00 0.00 177.39 175.09 1x4y s GLN 77 N -3.18 3.54 0.53 3.23 -0.21 -1.26 -4.66 119.66 117.66 1x4y s GLN 77 Ca 0.13 -0.09 -0.20 0.00 0.02 0.00 0.00 55.36 55.22 1x4y s GLN 77 Cb -0.01 -3.13 -0.06 0.00 1.00 0.00 0.00 33.01 30.81 1x4y s GLN 77 CO 0.08 0.70 1.13 -1.25 -2.12 0.00 0.00 175.29 173.83 1x4y s PRO 78 N -1.49 3.40 -1.35 2.91 0.04 -1.17 -3.42 135.00 133.92 1x4y s PRO 78 Ca 0.23 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 1x4y s PRO 78 Cb -0.13 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1x4y s PRO 78 CO 0.12 -0.81 0.34 -0.85 0.04 0.00 0.00 177.00 175.84 1x4y n GLU 79 N -1.21 -0.82 -3.82 4.56 0.28 0.27 -4.85 120.64 115.04 1x4y n GLU 79 Ca 0.11 0.10 -0.36 0.00 -0.16 0.00 0.00 57.16 56.84 1x4y n GLU 79 Cb 0.51 -3.31 -0.13 0.00 1.43 0.00 0.00 31.44 29.93 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 -2.98 3.44 -0.65 3.84 2.01 -1.22 -4.88 115.64 115.20 1x4y s THR 80 Ca 0.48 -1.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 1x4y s THR 80 Cb -0.28 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.32 1x4y s THR 80 CO 0.76 -0.13 1.14 -0.55 -0.69 0.00 0.00 174.62 175.15 1x4y s SER 81 N 1.34 6.28 0.11 3.53 0.15 -1.26 -3.59 113.70 120.25 1x4y s SER 81 Ca -0.03 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.31 1x4y s SER 81 Cb -0.19 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1x4y s SER 81 CO 0.01 -1.56 -0.14 -0.72 1.20 0.00 0.00 173.24 172.03 1x4y s TYR 82 N 4.91 1.35 0.57 3.44 -0.85 -1.26 -4.50 117.35 121.01 1x4y s TYR 82 Ca 0.34 -0.55 -0.18 0.00 -0.52 0.00 0.00 57.07 56.17 1x4y s TYR 82 Cb -0.10 -0.72 -0.04 0.00 0.38 0.00 0.00 41.96 41.48 1x4y s TYR 82 CO 0.18 0.12 1.11 -0.51 -1.52 0.00 0.00 175.55 174.93 1x4y s ASP 83 N -2.32 5.61 -0.01 -0.18 1.11 -1.26 -3.65 116.67 115.98 1x4y s ASP 83 Ca 0.07 2.10 0.00 0.00 0.18 0.00 0.00 52.55 54.89 1x4y s ASP 83 Cb -0.06 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.38 1x4y s ASP 83 CO 0.03 -1.29 0.01 -0.63 1.18 0.00 0.00 175.17 174.47 1x4y s ILE 84 N -1.96 -0.03 0.18 0.77 1.01 0.78 -4.11 121.20 117.84 1x4y s ILE 84 Ca 0.70 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.33 1x4y s ILE 84 Cb -0.22 -0.04 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1x4y s ILE 84 CO 0.31 0.04 0.37 -1.59 0.00 0.00 0.00 174.94 174.07 1x4y s LYS 85 N 0.49 1.25 0.27 2.79 -2.85 -1.07 -0.71 119.74 119.90 1x4y s LYS 85 Ca -0.04 -1.07 -0.07 0.00 -1.00 0.00 0.00 55.97 53.79 1x4y s LYS 85 Cb -0.06 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 1x4y s LYS 85 CO -0.01 -0.49 0.40 0.00 0.10 0.00 0.00 175.35 175.35 1x4y s MET 86 N -3.94 1.58 -0.02 1.78 0.23 -1.26 -0.34 119.30 117.33 1x4y s MET 86 Ca 0.15 -1.50 -0.27 0.00 -1.03 0.00 0.00 55.69 53.04 1x4y s MET 86 Cb 0.02 0.42 0.06 0.00 -1.53 0.00 0.00 34.83 33.79 1x4y s MET 86 CO -0.01 -0.63 0.60 -1.14 -2.03 0.00 0.00 175.02 171.81 1x4y s GLN 87 N -3.75 1.02 0.40 3.16 0.74 0.68 -2.03 119.66 119.87 1x4y s GLN 87 Ca 0.29 0.08 0.08 0.00 0.05 0.00 0.00 55.36 55.85 1x4y s GLN 87 Cb 0.01 0.47 0.00 0.00 1.10 0.00 0.00 33.01 34.60 1x4y s GLN 87 CO 0.13 -0.33 0.52 0.00 -0.55 0.00 0.00 175.29 175.07 1x4y s PHE 89 N -2.32 -0.36 0.20 0.00 -0.71 -1.26 -0.75 117.98 112.77 1x4y s PHE 89 Ca 0.52 0.09 -0.14 0.00 -1.04 0.00 0.00 56.93 56.36 1x4y s PHE 89 Cb -0.09 0.43 0.01 0.00 -1.21 0.00 0.00 43.02 42.16 1x4y s PHE 89 CO 0.32 -0.81 0.44 1.21 -1.34 0.00 0.00 175.22 175.03 1x4y s ASN 90 N -2.79 -0.12 0.33 1.98 2.47 -1.09 -2.66 114.94 113.06 1x4y s ASN 90 Ca 0.03 -0.71 0.22 0.00 0.42 0.00 0.00 52.86 52.82 1x4y s ASN 90 Cb -0.00 0.54 1.15 0.00 -1.45 0.00 0.00 41.25 41.48 1x4y s ASN 90 CO -0.11 -1.03 1.26 1.21 -3.72 0.00 0.00 177.10 174.71 1x4y n GLU 91 N -0.31 -0.04 0.26 0.43 2.13 -1.26 -0.19 120.64 121.65 1x4y n GLU 91 Ca -0.07 1.05 -0.11 0.00 0.66 0.00 0.00 57.16 58.69 1x4y n GLU 91 Cb 0.62 -1.98 -0.05 0.00 0.27 0.00 0.00 31.44 30.30 1x4y n GLU 91 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x4y h GLY 92 N 0.00 -0.73 0.00 8.31 0.00 -1.92 -3.50 103.07 105.23 1x4y h GLY 92 Ca 0.70 0.27 0.00 0.00 0.00 0.00 0.00 47.33 48.30 1x4y h GLY 92 CO -0.48 -0.27 0.00 0.61 0.00 0.00 0.00 176.54 176.41 1x4y n GLY 93 N -0.09 0.57 3.75 4.60 0.00 0.73 -4.84 105.19 109.91 1x4y n GLY 93 Ca -0.09 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 2.57 0.34 1.61 2.02 -1.26 -2.67 118.70 119.31 1x4y s GLU 94 Ca 0.00 1.57 0.02 0.00 0.02 0.00 0.00 54.97 56.58 1x4y s GLU 94 Cb 0.00 -1.91 0.06 0.00 0.10 0.00 0.00 34.13 32.39 1x4y s GLU 94 CO 0.00 -1.46 0.47 0.45 0.02 0.00 0.00 175.26 174.73 1x4y n SER 95 N -2.44 0.90 -4.64 -0.19 2.88 0.07 -4.79 113.62 105.40 1x4y n SER 95 Ca 0.12 -1.69 -0.30 0.00 -1.33 0.00 0.00 58.87 55.66 1x4y n SER 95 Cb 0.51 -0.28 0.18 0.00 -0.75 0.00 0.00 64.21 63.87 1x4y n SER 95 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x4y s GLU 96 N -3.58 0.68 -0.03 -1.46 2.02 -1.15 -4.78 118.70 110.41 1x4y s GLU 96 Ca 0.33 1.21 -0.28 0.00 0.02 0.00 0.00 54.97 56.25 1x4y s GLU 96 Cb -0.02 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 1x4y s GLU 96 CO 0.21 -2.75 0.90 -0.06 0.02 0.00 0.00 175.26 173.59 1x4y s PHE 97 N -2.67 3.63 1.21 1.61 0.40 -1.26 -4.58 117.98 116.32 1x4y s PHE 97 Ca 0.66 1.57 -0.20 0.00 -0.60 0.00 0.00 56.93 58.35 1x4y s PHE 97 Cb -0.22 -3.04 0.31 0.00 0.51 0.00 0.00 43.02 40.58 1x4y s PHE 97 CO 0.59 0.00 0.90 -1.13 0.70 0.00 0.00 175.22 176.29 1x4y n SER 98 N 3.94 -2.89 -4.28 1.36 3.41 -0.86 -5.02 113.62 109.28 1x4y n SER 98 Ca 0.04 -0.97 -0.29 0.00 -0.26 0.00 0.00 58.87 57.39 1x4y n SER 98 Cb 0.51 -0.91 0.19 0.00 -0.26 0.00 0.00 64.21 63.74 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 -3.65 2.44 -0.35 4.04 4.22 -1.26 -4.81 114.94 115.56 1x4y s ASN 99 Ca 0.63 0.69 -0.07 0.00 -2.14 0.00 0.00 52.86 51.97 1x4y s ASN 99 Cb -0.08 -1.03 0.04 0.00 1.28 0.00 0.00 41.25 41.46 1x4y s ASN 99 CO 0.50 -3.19 0.14 -0.69 -2.04 0.00 0.00 177.10 171.82 1x4y s VAL 100 N -3.31 3.93 -0.16 3.54 1.01 -1.26 -4.47 120.40 119.68 1x4y s VAL 100 Ca 0.69 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1x4y s VAL 100 Cb -0.11 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1x4y s VAL 100 CO 0.54 -0.23 0.02 -0.04 0.00 0.00 0.00 175.10 175.40 1x4y s MET 101 N 1.42 3.77 -0.55 2.72 -1.94 0.11 -4.87 119.30 119.95 1x4y s MET 101 Ca -0.00 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 53.40 1x4y s MET 101 Cb -0.20 -3.07 0.12 0.00 2.01 0.00 0.00 34.83 33.69 1x4y s MET 101 CO 0.03 0.32 0.56 0.42 -0.01 0.00 0.00 175.02 176.34 1x4y s ILE 102 N 0.20 5.08 -0.42 2.53 1.01 -1.26 -0.16 121.20 128.18 1x4y s ILE 102 Ca 0.02 -1.32 -0.09 0.00 0.00 0.00 0.00 60.65 59.25 1x4y s ILE 102 Cb -0.13 -4.38 0.08 0.00 0.01 0.00 0.00 42.46 38.04 1x4y s ILE 102 CO 0.01 -0.95 0.27 0.00 0.00 0.00 0.00 174.94 174.28 1x4y s GLU 104 N 1.42 4.31 1.32 0.00 2.12 -1.26 -4.46 118.70 122.16 1x4y s GLU 104 Ca 0.03 1.78 -0.22 0.00 0.36 0.00 0.00 54.97 56.93 1x4y s GLU 104 Cb -0.23 -3.59 0.33 0.00 0.26 0.00 0.00 34.13 30.90 1x4y s GLU 104 CO 0.02 -0.52 1.04 0.95 -0.54 0.00 0.00 175.26 176.20 1x4y s THR 105 N 2.43 1.37 0.28 -1.70 -4.23 -1.24 -4.59 115.64 107.96 1x4y s THR 105 Ca 0.59 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1x4y s THR 105 Cb -0.27 -2.32 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 1x4y s THR 105 CO 0.23 0.00 0.56 -0.54 -0.54 0.00 0.00 174.62 174.33 1x4y s LYS 106 N -5.34 3.67 0.14 3.99 1.02 -1.17 -4.06 119.74 117.99 1x4y s LYS 106 Ca 0.71 0.08 -0.31 0.00 0.02 0.00 0.00 55.97 56.47 1x4y s LYS 106 Cb -0.10 -2.63 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 1x4y s LYS 106 CO 0.56 0.22 1.32 0.00 -0.92 0.00 0.00 175.35 176.53 1x4y s ALA 107 N -2.05 3.53 -0.55 5.17 0.00 -1.26 -0.57 121.76 126.03 1x4y s ALA 107 Ca 0.45 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 53.21 1x4y s ALA 107 Cb -0.11 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1x4y s ALA 107 CO 0.28 -0.54 2.15 -0.98 0.00 0.00 0.00 175.76 176.67 1x4y s ARG 108 N 0.60 2.34 0.15 0.00 1.70 -1.26 -4.82 118.95 117.66 1x4y s ARG 108 Ca 0.60 1.01 -0.06 0.00 -0.47 0.00 0.00 55.73 56.81 1x4y s ARG 108 Cb -0.35 -4.50 -0.06 0.00 -0.57 0.00 0.00 34.95 29.47 1x4y s ARG 108 CO 0.33 -3.04 0.41 0.45 -1.08 0.00 0.00 175.30 172.37 1x4y s SER 109 N 10.24 6.54 -0.03 -2.89 0.15 -1.26 -5.10 113.70 121.35 1x4y s SER 109 Ca 0.83 0.68 -0.29 0.00 0.70 0.00 0.00 55.95 57.87 1x4y s SER 109 Cb -0.15 -2.13 0.09 0.00 -1.71 0.00 0.00 66.02 62.13 1x4y s SER 109 CO 0.23 0.05 0.81 -0.83 1.20 0.00 0.00 173.24 174.70 1x4y s GLY 110 N -2.31 -0.47 0.13 9.45 0.00 -1.26 -5.02 107.32 107.84 1x4y s GLY 110 Ca 0.41 1.27 0.19 0.00 0.00 0.00 0.00 44.72 46.58 1x4y s GLY 110 CO 0.23 0.65 1.58 -1.55 0.00 0.00 0.00 173.10 174.00 1x4y n PRO 111 N 0.28 0.09 -1.49 2.90 -0.04 -1.26 -4.85 135.00 130.64 1x4y n PRO 111 Ca -0.13 0.34 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 1x4y n PRO 111 Cb 0.60 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1x4y n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4y n SER 112 N -1.86 -0.23 -0.06 3.54 7.64 -1.26 -4.93 113.62 116.46 1x4y n SER 112 Ca 0.03 1.03 -0.11 0.00 1.01 0.00 0.00 58.87 60.82 1x4y n SER 112 Cb 0.20 -1.15 -0.05 0.00 -1.01 0.00 0.00 64.21 62.20 1x4y n SER 112 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4y n SER 113 N 1.35 1.69 -0.12 6.43 2.88 -1.26 -5.23 113.62 119.36 1x4y n SER 113 Ca 0.12 0.07 0.02 0.00 -1.33 0.00 0.00 58.87 57.74 1x4y n SER 113 Cb 0.35 -0.29 0.01 0.00 -0.75 0.00 0.00 64.21 63.53 1x4y n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42