#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4y s SER 2 N 0.00 -0.07 -0.60 1.61 1.04 -1.26 -5.05 113.70 109.37 1x4y s SER 2 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1x4y s SER 2 Cb 0.00 0.62 0.43 0.00 0.10 0.00 0.00 66.02 67.18 1x4y s SER 2 CO 0.00 -1.21 1.79 -0.24 0.98 0.00 0.00 173.24 174.56 1x4y n SER 3 N -0.99 6.87 0.00 7.02 2.88 -1.26 -4.98 113.62 123.16 1x4y n SER 3 Ca -0.05 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 1x4y n SER 3 Cb 0.60 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1x4y n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4y n GLY 4 N -0.78 1.63 3.06 0.46 0.00 -1.26 -4.70 105.19 103.60 1x4y n GLY 4 Ca 0.56 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.73 1x4y n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4y s SER 5 N -3.47 0.12 0.87 1.61 1.04 -1.26 -5.15 113.70 107.46 1x4y s SER 5 Ca 0.00 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 55.98 1x4y s SER 5 Cb 0.00 0.16 0.12 0.00 0.10 0.00 0.00 66.02 66.40 1x4y s SER 5 CO 0.00 -0.35 1.13 -0.44 0.98 0.00 0.00 173.24 174.56 1x4y s SER 6 N -1.47 3.35 0.00 7.02 0.01 -1.26 -4.96 113.70 116.39 1x4y s SER 6 Ca -0.15 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1x4y s SER 6 Cb -0.08 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1x4y s SER 6 CO 0.00 -2.82 0.00 0.61 0.41 0.00 0.00 173.24 171.45 1x4y n GLY 7 N -0.16 3.52 3.77 3.44 0.00 -1.26 -4.44 105.19 110.05 1x4y n GLY 7 Ca 0.11 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.95 4.03 0.00 1.61 0.04 -1.26 -4.95 135.00 130.52 1x4y s PRO 8 Ca 0.00 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1x4y s PRO 8 Cb 0.00 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1x4y s PRO 8 CO 0.00 -0.35 0.00 1.33 0.04 0.00 0.00 177.00 178.02 1x4y n VAL 9 N 0.07 0.00 -0.45 -0.36 0.24 -1.26 -3.61 118.33 112.96 1x4y n VAL 9 Ca 0.04 0.00 0.39 0.00 -2.04 0.00 0.00 64.34 62.73 1x4y n VAL 9 Cb 0.46 -0.35 0.66 0.00 -1.47 0.00 0.00 33.84 33.14 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 2.75 -3.76 2.33 0.00 -1.93 -2.94 119.26 115.72 1x4y h ALA 10 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1x4y h ALA 10 Cb 0.50 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1x4y h ALA 10 CO 0.00 -1.44 -1.01 0.41 0.00 0.00 0.00 179.25 177.21 1x4y n GLY 11 N -1.50 -3.91 3.77 0.00 0.00 -1.26 -4.89 105.19 97.39 1x4y n GLY 11 Ca 0.39 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -5.29 2.60 -0.21 1.61 0.04 -1.26 -4.88 135.00 127.61 1x4y s PRO 12 Ca 0.00 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1x4y s PRO 12 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.65 1x4y s PRO 12 CO 0.00 -1.39 -0.10 -0.47 0.04 0.00 0.00 177.00 175.08 1x4y s TYR 13 N -2.54 2.45 0.04 0.56 5.04 -0.89 -4.50 117.35 117.51 1x4y s TYR 13 Ca 0.65 -1.64 -0.30 0.00 -2.44 0.00 0.00 57.07 53.33 1x4y s TYR 13 Cb -0.19 -1.64 -0.08 0.00 0.35 0.00 0.00 41.96 40.40 1x4y s TYR 13 CO 0.47 -0.75 1.65 0.42 -1.34 0.00 0.00 175.55 176.00 1x4y s ILE 14 N 1.38 3.17 0.00 3.14 1.01 -1.26 -1.16 121.20 127.48 1x4y s ILE 14 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1x4y s ILE 14 Cb -0.17 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1x4y s ILE 14 CO -0.08 -0.01 0.36 0.35 0.00 0.00 0.00 174.94 175.56 1x4y n THR 15 N 4.89 0.00 -3.67 2.92 -2.24 -0.70 -4.96 114.28 110.53 1x4y n THR 15 Ca 0.16 -0.44 -0.16 0.00 -2.27 0.00 0.00 64.05 61.34 1x4y n THR 15 Cb 0.41 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.17 -0.19 -0.12 4.78 2.19 -1.12 -4.99 117.98 118.36 1x4y s PHE 16 Ca 0.00 0.63 -0.04 0.00 0.33 0.00 0.00 56.93 57.85 1x4y s PHE 16 Cb 0.00 -0.23 0.05 0.00 -1.31 0.00 0.00 43.02 41.53 1x4y s PHE 16 CO 0.00 -0.27 0.08 0.95 1.83 0.00 0.00 175.22 177.81 1x4y s THR 17 N 2.20 -0.08 0.05 0.12 -4.23 -1.26 -0.44 115.64 112.00 1x4y s THR 17 Ca 0.02 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.54 1x4y s THR 17 Cb -0.12 -0.43 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 1x4y s THR 17 CO -0.06 -0.11 0.05 -0.62 -0.54 0.00 0.00 174.62 173.34 1x4y s ASP 18 N 2.14 0.30 -0.40 3.99 2.15 -0.15 -4.99 116.67 119.71 1x4y s ASP 18 Ca 0.03 -0.73 -0.16 0.00 0.43 0.00 0.00 52.55 52.12 1x4y s ASP 18 Cb -0.15 0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.71 1x4y s ASP 18 CO -0.07 -0.55 0.38 0.00 -0.17 0.00 0.00 175.17 174.76 1x4y s ALA 19 N -3.17 3.45 0.24 3.66 0.00 -1.26 -0.35 121.76 124.33 1x4y s ALA 19 Ca -0.00 -1.51 0.12 0.00 0.00 0.00 0.00 51.96 50.57 1x4y s ALA 19 Cb 0.02 -2.96 0.38 0.00 0.00 0.00 0.00 23.12 20.57 1x4y s ALA 19 CO -0.07 -1.44 1.61 0.28 0.00 0.00 0.00 175.76 176.14 1x4y h VAL 20 N 5.66 1.34 -2.70 0.00 2.07 -1.75 -3.46 116.25 117.40 1x4y h VAL 20 Ca -0.27 -2.08 -0.03 0.00 0.82 0.00 0.00 66.70 65.13 1x4y h VAL 20 Cb 1.12 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1x4y h VAL 20 CO 0.75 0.58 0.15 0.59 0.02 0.00 0.00 177.57 179.67 1x4y n ASN 21 N -3.71 -1.43 0.23 0.57 3.02 -0.26 -4.93 115.26 108.74 1x4y n ASN 21 Ca -0.01 -2.05 0.10 0.00 -0.03 0.00 0.00 54.58 52.60 1x4y n ASN 21 Cb 0.62 2.40 0.49 0.00 -0.61 0.00 0.00 39.78 42.67 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 -1.87 -2.82 114.58 122.50 1x4y h GLU 22 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1x4y h GLU 22 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1x4y h GLU 22 CO 0.27 0.21 0.00 0.25 0.05 0.00 0.00 179.01 179.80 1x4y n THR 23 N -3.41 0.46 -4.40 -1.06 -2.24 -1.26 -2.89 114.28 99.48 1x4y n THR 23 Ca -0.00 -0.63 -0.22 0.00 -2.27 0.00 0.00 64.05 60.93 1x4y n THR 23 Cb 0.41 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.46 1.33 -0.05 4.28 2.01 -1.19 -2.47 115.64 119.09 1x4y s THR 24 Ca 0.00 -1.15 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 1x4y s THR 24 Cb 0.00 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.34 1x4y s THR 24 CO 0.00 0.02 0.12 -0.63 -0.69 0.00 0.00 174.62 173.44 1x4y s ILE 25 N -0.92 -0.02 -0.14 1.82 1.01 -0.52 -1.10 121.20 121.33 1x4y s ILE 25 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1x4y s ILE 25 Cb -0.09 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1x4y s ILE 25 CO 0.02 0.03 -0.05 -0.32 0.00 0.00 0.00 174.94 174.62 1x4y s MET 26 N 0.46 3.48 0.02 2.79 -2.45 0.53 0.44 119.30 124.56 1x4y s MET 26 Ca -0.03 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 53.88 1x4y s MET 26 Cb -0.05 -2.84 -0.02 0.00 1.25 0.00 0.00 34.83 33.18 1x4y s MET 26 CO -0.02 0.33 -0.04 -0.48 1.05 0.00 0.00 175.02 175.86 1x4y s LEU 27 N 0.12 2.19 0.02 4.11 2.34 -0.87 -0.98 118.68 125.60 1x4y s LEU 27 Ca -0.01 -0.40 0.06 0.00 0.06 0.00 0.00 54.13 53.84 1x4y s LEU 27 Cb -0.14 0.00 -0.02 0.00 -0.56 0.00 0.00 46.19 45.47 1x4y s LEU 27 CO 0.03 -0.21 -0.19 -0.54 -1.06 0.00 0.00 176.35 174.39 1x4y s LYS 28 N -1.16 1.34 0.23 1.48 1.02 0.42 -2.13 119.74 120.95 1x4y s LYS 28 Ca -0.11 -0.82 0.10 0.00 0.02 0.00 0.00 55.97 55.17 1x4y s LYS 28 Cb -0.08 -1.39 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 1x4y s LYS 28 CO -0.00 0.36 -0.19 1.67 -0.92 0.00 0.00 175.35 176.27 1x4y s TRP 29 N -0.69 2.10 0.22 3.18 -2.14 -0.80 -1.71 118.94 119.09 1x4y s TRP 29 Ca 0.06 -0.41 0.11 0.00 2.66 0.00 0.00 56.10 58.53 1x4y s TRP 29 Cb -0.08 -0.96 -0.05 0.00 -3.10 0.00 0.00 33.47 29.28 1x4y s TRP 29 CO 0.01 0.55 -0.22 0.00 -2.66 0.00 0.00 176.95 174.63 1x4y s MET 30 N -3.30 1.61 -0.08 3.25 0.23 -0.31 -4.84 119.30 115.87 1x4y s MET 30 Ca 0.25 -1.57 0.04 0.00 -1.03 0.00 0.00 55.69 53.38 1x4y s MET 30 Cb -0.05 -1.85 0.00 0.00 -1.53 0.00 0.00 34.83 31.40 1x4y s MET 30 CO 0.11 0.38 -0.20 -0.47 -2.03 0.00 0.00 175.02 172.82 1x4y s TYR 31 N -1.89 2.10 -0.30 3.16 5.04 -1.26 -2.09 117.35 122.11 1x4y s TYR 31 Ca 0.24 -0.78 -0.07 0.00 -2.44 0.00 0.00 57.07 54.02 1x4y s TYR 31 Cb -0.07 -1.43 0.01 0.00 0.35 0.00 0.00 41.96 40.82 1x4y s TYR 31 CO 0.12 -0.31 0.09 0.42 -1.34 0.00 0.00 175.55 174.52 1x4y s ILE 32 N 0.32 4.01 0.31 3.14 1.09 -1.26 -4.97 121.20 123.83 1x4y s ILE 32 Ca -0.13 -0.68 0.10 0.00 -1.10 0.00 0.00 60.65 58.83 1x4y s ILE 32 Cb -0.16 -3.07 0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1x4y s ILE 32 CO 0.06 0.08 1.70 1.55 -0.10 0.00 0.00 174.94 178.23 1x4y h PRO 33 N 8.24 0.08 -0.05 2.79 0.13 -1.99 -3.33 132.00 137.86 1x4y h PRO 33 Ca -0.31 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1x4y h PRO 33 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1x4y h PRO 33 CO 0.60 0.54 -0.05 0.00 -0.23 0.00 0.00 178.00 178.87 1x4y h ALA 34 N 1.45 -0.23 -0.39 -0.56 0.00 -2.07 -0.83 119.26 116.62 1x4y h ALA 34 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1x4y h ALA 34 Cb 0.88 0.85 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 1x4y h ALA 34 CO 0.07 -0.26 0.25 0.45 0.00 0.00 0.00 179.25 179.76 1x4y n SER 35 N -3.03 6.20 -4.42 0.00 2.88 -1.25 -4.89 113.62 109.12 1x4y n SER 35 Ca -0.00 -2.99 -0.29 0.00 -1.33 0.00 0.00 58.87 54.26 1x4y n SER 35 Cb 0.03 -1.19 -0.13 0.00 -0.75 0.00 0.00 64.21 62.17 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 0.66 3.47 -0.31 -3.46 2.47 -0.32 -4.51 114.94 112.95 1x4y s ASN 36 Ca 0.46 -0.70 0.02 0.00 0.42 0.00 0.00 52.86 53.06 1x4y s ASN 36 Cb 0.30 -0.31 0.40 0.00 -1.45 0.00 0.00 41.25 40.19 1x4y s ASN 36 CO -0.10 0.18 1.65 -3.20 -3.72 0.00 0.00 177.10 171.92 1x4y n ASN 37 N 0.87 4.03 -4.21 -4.21 2.85 -1.26 -4.87 115.26 108.45 1x4y n ASN 37 Ca -0.17 -3.06 -0.37 0.00 -0.11 0.00 0.00 54.58 50.87 1x4y n ASN 37 Cb 0.53 -0.77 -0.07 0.00 1.24 0.00 0.00 39.78 40.71 1x4y n ASN 37 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1x4y n ASN 38 N -0.46 -1.27 -4.65 1.20 3.02 -1.26 -4.89 115.26 106.96 1x4y n ASN 38 Ca 0.38 -1.12 -0.34 0.00 -0.03 0.00 0.00 54.58 53.47 1x4y n ASN 38 Cb 1.14 -1.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.78 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x4y s THR 39 N -3.19 4.07 0.21 3.41 -1.32 -1.26 -5.09 115.64 112.47 1x4y s THR 39 Ca 0.64 -0.37 -0.30 0.00 -1.21 0.00 0.00 61.69 60.45 1x4y s THR 39 Cb -0.37 -2.71 -0.09 0.00 -1.51 0.00 0.00 72.50 67.82 1x4y s THR 39 CO 0.92 0.58 1.30 -2.16 -2.21 0.00 0.00 174.62 173.04 1x4y s PRO 40 N -0.93 4.40 -0.11 7.08 0.04 -1.26 -4.99 135.00 139.23 1x4y s PRO 40 Ca 0.14 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 1x4y s PRO 40 Cb -0.11 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1x4y s PRO 40 CO 0.03 -0.22 0.23 0.42 0.04 0.00 0.00 177.00 177.49 1x4y s ILE 41 N -0.03 5.35 0.12 0.56 1.01 -1.26 -4.49 121.20 122.47 1x4y s ILE 41 Ca 0.55 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 61.47 1x4y s ILE 41 Cb -0.36 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1x4y s ILE 41 CO 0.39 0.54 1.53 0.45 0.00 0.00 0.00 174.94 177.86 1x4y h HIS 42 N 5.48 0.85 0.00 3.97 3.86 -1.53 -3.44 115.15 124.35 1x4y h HIS 42 Ca -0.50 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.53 1x4y h HIS 42 Cb 1.20 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1x4y h HIS 42 CO 0.69 0.89 0.00 0.41 0.86 0.00 0.00 177.93 180.78 1x4y n GLY 43 N -0.20 1.84 3.12 2.45 0.00 -1.20 -3.95 105.19 107.25 1x4y n GLY 43 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.07 -0.57 -0.01 1.61 0.08 0.02 -4.08 117.98 114.95 1x4y s PHE 44 Ca 0.00 1.19 -0.04 0.00 0.12 0.00 0.00 56.93 58.20 1x4y s PHE 44 Cb 0.00 0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.52 1x4y s PHE 44 CO 0.00 -0.40 0.20 0.71 -0.10 0.00 0.00 175.22 175.64 1x4y s TYR 45 N 2.40 3.56 -0.09 0.36 2.02 0.91 -0.09 117.35 126.42 1x4y s TYR 45 Ca -0.01 0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 57.12 1x4y s TYR 45 Cb -0.12 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1x4y s TYR 45 CO -0.10 0.64 -0.05 0.42 -1.57 0.00 0.00 175.55 174.89 1x4y s ILE 46 N -1.30 0.77 -0.01 2.71 1.01 -0.78 -0.32 121.20 123.28 1x4y s ILE 46 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1x4y s ILE 46 Cb -0.13 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1x4y s ILE 46 CO 0.17 0.32 0.05 -0.31 0.00 0.00 0.00 174.94 175.17 1x4y s TYR 47 N 1.59 3.21 -0.03 3.97 1.51 0.25 -1.30 117.35 126.55 1x4y s TYR 47 Ca 0.01 0.17 -0.23 0.00 -1.01 0.00 0.00 57.07 56.01 1x4y s TYR 47 Cb -0.13 -1.72 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1x4y s TYR 47 CO -0.05 0.52 0.50 1.52 -1.11 0.00 0.00 175.55 176.93 1x4y s TYR 48 N -1.14 -0.43 -0.25 2.71 1.13 -1.25 -2.34 117.35 115.78 1x4y s TYR 48 Ca 0.21 0.71 -0.26 0.00 -1.41 0.00 0.00 57.07 56.32 1x4y s TYR 48 Cb -0.12 0.26 0.12 0.00 -1.10 0.00 0.00 41.96 41.12 1x4y s TYR 48 CO 0.12 -0.50 1.01 -0.98 -2.51 0.00 0.00 175.55 172.69 1x4y s ARG 49 N -1.25 0.54 0.34 -3.49 1.04 -1.26 -2.20 118.95 112.67 1x4y s ARG 49 Ca -0.12 0.49 -0.28 0.00 -1.04 0.00 0.00 55.73 54.77 1x4y s ARG 49 Cb -0.03 0.26 -0.10 0.00 -2.04 0.00 0.00 34.95 33.05 1x4y s ARG 49 CO 0.07 -0.10 1.22 -1.25 -0.04 0.00 0.00 175.30 175.20 1x4y s PRO 50 N -0.13 4.35 0.67 3.89 0.04 -1.26 -4.14 135.00 138.42 1x4y s PRO 50 Ca 0.02 2.01 0.35 0.00 0.04 0.00 0.00 61.00 63.42 1x4y s PRO 50 Cb -0.04 -3.00 1.92 0.00 0.04 0.00 0.00 34.50 33.42 1x4y s PRO 50 CO -0.04 -0.12 2.08 0.00 0.04 0.00 0.00 177.00 178.97 1x4y h THR 51 N 2.86 0.01 0.00 1.26 1.03 -1.94 0.30 112.91 116.44 1x4y h THR 51 Ca -0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.89 1x4y h THR 51 Cb 1.22 0.79 -0.00 0.00 -1.07 0.00 0.00 68.15 69.09 1x4y h THR 51 CO 0.65 0.00 -0.13 -0.78 -0.01 0.00 0.00 175.52 175.25 1x4y h ASP 52 N 0.00 0.00 -1.56 0.00 3.58 -1.93 -3.45 116.42 113.06 1x4y h ASP 52 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1x4y h ASP 52 Cb 0.44 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.57 1x4y h ASP 52 CO -0.00 0.13 -0.07 -1.20 -2.88 0.00 0.00 179.24 175.22 1x4y n SER 53 N -3.25 -2.52 -0.07 2.28 7.64 0.10 -5.00 113.62 112.80 1x4y n SER 53 Ca 0.01 -0.32 -0.14 0.00 1.01 0.00 0.00 58.87 59.42 1x4y n SER 53 Cb 0.40 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.83 1.22 -2.20 6.43 2.03 -1.26 -5.08 116.55 115.85 1x4y n ASP 54 Ca 0.05 0.20 -0.09 0.00 0.52 0.00 0.00 54.79 55.48 1x4y n ASP 54 Cb 0.22 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.12 1x4y n ASP 54 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1x4y n ASN 55 N -3.78 -0.88 0.10 1.67 3.02 -1.26 -5.00 115.26 109.13 1x4y n ASN 55 Ca -0.26 -2.14 0.06 0.00 -0.03 0.00 0.00 54.58 52.21 1x4y n ASN 55 Cb 0.62 1.62 0.32 0.00 -0.61 0.00 0.00 39.78 41.73 1x4y n ASN 55 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1x4y n ASP 56 N -1.78 0.30 0.31 6.41 8.00 -1.26 -1.74 116.55 126.80 1x4y n ASP 56 Ca -0.00 0.59 0.16 0.00 0.71 0.00 0.00 54.79 56.25 1x4y n ASP 56 Cb 0.36 -0.60 0.86 0.00 -0.02 0.00 0.00 41.12 41.71 1x4y n ASP 56 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1x4y h SER 57 N 0.00 0.00 0.12 -2.24 0.87 -2.03 -0.26 113.55 110.01 1x4y h SER 57 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1x4y h SER 57 Cb 0.20 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 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 -2.83 1.91 -3.90 6.23 9.92 -0.71 -4.94 116.55 122.22 1x4y n ASP 58 Ca -0.02 0.14 -0.56 0.00 -0.53 0.00 0.00 54.79 53.82 1x4y n ASP 58 Cb 0.29 -0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 40.07 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 -3.36 1.40 -2.29 1.24 4.01 -0.11 -4.88 117.16 113.17 1x4y n TYR 59 Ca -0.34 0.94 -0.12 0.00 -0.16 0.00 0.00 57.90 58.22 1x4y n TYR 59 Cb 1.04 -1.83 0.07 0.00 -0.31 0.00 0.00 39.34 38.30 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 3.18 0.11 -3.69 -0.72 5.02 -0.94 -4.86 118.16 116.27 1x4y n LYS 60 Ca 0.25 -1.35 -0.13 0.00 -2.02 0.00 0.00 58.31 55.06 1x4y n LYS 60 Cb -0.04 -0.40 -0.13 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.15 -0.23 1.97 2.20 -1.25 -3.88 119.74 114.81 1x4y s LYS 61 Ca 0.35 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 1x4y s LYS 61 Cb -0.02 -0.10 0.04 0.00 -1.51 0.00 0.00 37.83 36.24 1x4y s LYS 61 CO 0.23 -0.24 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.35 1x4y s ASP 62 N 1.96 4.01 0.21 1.43 1.11 -0.42 -4.88 116.67 120.10 1x4y s ASP 62 Ca -0.03 -1.03 -0.30 0.00 0.18 0.00 0.00 52.55 51.38 1x4y s ASP 62 Cb -0.11 -1.56 -0.08 0.00 1.07 0.00 0.00 42.92 42.23 1x4y s ASP 62 CO -0.08 -0.12 1.09 -0.32 1.18 0.00 0.00 175.17 176.92 1x4y s MET 63 N 1.22 4.63 0.06 8.23 1.75 -1.26 -1.86 119.30 132.08 1x4y s MET 63 Ca -0.02 1.72 0.02 0.00 -1.25 0.00 0.00 55.69 56.16 1x4y s MET 63 Cb -0.17 -3.25 -0.03 0.00 2.84 0.00 0.00 34.83 34.22 1x4y s MET 63 CO -0.07 0.16 -0.07 0.08 -0.65 0.00 0.00 175.02 174.46 1x4y s VAL 64 N -0.60 0.59 0.52 10.11 1.01 0.87 -4.95 120.40 127.95 1x4y s VAL 64 Ca 0.47 -1.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1x4y s VAL 64 Cb -0.30 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 1x4y s VAL 64 CO 0.37 -0.60 0.94 -0.62 0.00 0.00 0.00 175.10 175.18 1x4y n GLU 65 N 0.81 1.06 0.20 2.72 1.02 -1.26 -0.80 120.64 124.38 1x4y n GLU 65 Ca -0.18 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.49 1x4y n GLU 65 Cb 0.57 -2.07 0.50 0.00 -0.02 0.00 0.00 31.44 30.43 1x4y n GLU 65 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x4y h GLY 66 N 0.92 0.00 -0.91 0.62 0.00 -1.82 -2.70 103.07 99.17 1x4y h GLY 66 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1x4y h GLY 66 CO 0.53 0.00 -0.32 1.22 0.00 0.00 0.00 176.54 177.97 1x4y n ASP 67 N -2.70 1.99 -4.78 0.19 8.00 -1.26 -4.89 116.55 113.11 1x4y n ASP 67 Ca 0.02 -1.49 -0.37 0.00 0.71 0.00 0.00 54.79 53.66 1x4y n ASP 67 Cb 0.33 0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.37 4.07 -0.11 -1.24 6.06 -1.02 -4.97 118.95 119.37 1x4y s ARG 68 Ca 0.22 0.23 0.14 0.00 -2.50 0.00 0.00 55.73 53.82 1x4y s ARG 68 Cb 0.19 -3.33 0.36 0.00 0.06 0.00 0.00 34.95 32.23 1x4y s ARG 68 CO 0.50 0.43 1.27 0.66 -2.50 0.00 0.00 175.30 175.66 1x4y n TYR 69 N 2.84 0.50 -3.81 5.12 4.02 -1.26 -4.82 117.16 119.74 1x4y n TYR 69 Ca -0.13 -0.79 -0.12 0.00 -0.01 0.00 0.00 57.90 56.85 1x4y n TYR 69 Cb 0.52 -0.18 -0.11 0.00 -0.02 0.00 0.00 39.34 39.55 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 -2.26 -0.15 -0.15 -0.72 1.48 -1.26 -1.90 118.94 113.97 1x4y s TRP 70 Ca 0.31 0.34 -0.15 0.00 -1.06 0.00 0.00 56.10 55.54 1x4y s TRP 70 Cb 0.24 0.05 0.04 0.00 -1.16 0.00 0.00 33.47 32.64 1x4y s TRP 70 CO 0.08 -0.21 0.43 -1.58 -4.06 0.00 0.00 176.95 171.61 1x4y s HIS 71 N -0.53 -0.46 -0.33 1.66 2.46 -0.90 -5.01 115.29 112.17 1x4y s HIS 71 Ca -0.06 1.12 -0.06 0.00 0.47 0.00 0.00 55.06 56.53 1x4y s HIS 71 Cb -0.04 0.16 0.04 0.00 -0.13 0.00 0.00 32.58 32.61 1x4y s HIS 71 CO 0.01 -0.24 0.08 -1.54 -2.47 0.00 0.00 174.74 170.59 1x4y s SER 72 N 0.14 5.22 0.59 9.88 1.04 -1.26 -2.06 113.70 127.24 1x4y s SER 72 Ca -0.01 -1.10 -0.16 0.00 0.48 0.00 0.00 55.95 55.17 1x4y s SER 72 Cb -0.03 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 1x4y s SER 72 CO 0.01 -0.30 1.05 -0.63 0.98 0.00 0.00 173.24 174.35 1x4y s ILE 73 N 1.40 3.85 0.32 -1.02 1.01 0.17 -4.83 121.20 122.10 1x4y s ILE 73 Ca -0.02 0.89 0.07 0.00 0.00 0.00 0.00 60.65 61.60 1x4y s ILE 73 Cb -0.19 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1x4y s ILE 73 CO 0.02 -0.51 0.27 -1.20 0.00 0.00 0.00 174.94 173.52 1x4y n SER 74 N -1.98 -0.66 -3.51 3.58 7.64 -1.26 -1.44 113.62 115.99 1x4y n SER 74 Ca 0.09 -3.10 -0.19 0.00 1.01 0.00 0.00 58.87 56.68 1x4y n SER 74 Cb 0.53 1.60 0.08 0.00 -1.01 0.00 0.00 64.21 65.40 1x4y n SER 74 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1x4y n HIS 75 N -0.61 -2.21 -4.25 1.43 8.25 -1.07 -4.95 115.22 111.81 1x4y n HIS 75 Ca 0.07 0.93 -0.29 0.00 -0.26 0.00 0.00 57.72 58.17 1x4y n HIS 75 Cb 0.58 -4.92 -0.03 0.00 1.12 0.00 0.00 29.99 26.73 1x4y n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x4y s LEU 76 N -6.55 2.53 -0.01 2.41 1.43 -1.03 -5.09 118.68 112.38 1x4y s LEU 76 Ca 0.08 -1.42 -0.09 0.00 -1.03 0.00 0.00 54.13 51.67 1x4y s LEU 76 Cb -0.04 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 1x4y s LEU 76 CO 0.75 -1.00 0.30 -1.10 0.23 0.00 0.00 176.35 175.52 1x4y s GLN 77 N -4.12 3.67 0.58 1.70 -0.21 -1.26 -4.59 119.66 115.43 1x4y s GLN 77 Ca 0.22 0.08 -0.18 0.00 0.02 0.00 0.00 55.36 55.50 1x4y s GLN 77 Cb -0.01 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.84 1x4y s GLN 77 CO 0.14 0.67 1.12 -1.25 -2.12 0.00 0.00 175.29 173.85 1x4y s PRO 78 N -1.46 3.20 -1.33 2.91 0.04 -1.14 -3.39 135.00 133.82 1x4y s PRO 78 Ca 0.25 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1x4y s PRO 78 Cb -0.14 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.58 1x4y s PRO 78 CO 0.13 -0.96 0.42 -0.85 0.04 0.00 0.00 177.00 175.78 1x4y n GLU 79 N -1.62 -0.80 -3.80 4.56 0.28 0.18 -4.84 120.64 114.61 1x4y n GLU 79 Ca 0.11 0.10 -0.36 0.00 -0.16 0.00 0.00 57.16 56.85 1x4y n GLU 79 Cb 0.51 -3.33 -0.12 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 -2.63 3.33 -0.50 3.84 2.01 -1.22 -4.88 115.64 115.59 1x4y s THR 80 Ca 0.58 -1.68 -0.29 0.00 0.31 0.00 0.00 61.69 60.62 1x4y s THR 80 Cb -0.34 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.09 1x4y s THR 80 CO 0.73 -0.43 1.25 -0.55 -0.69 0.00 0.00 174.62 174.93 1x4y s SER 81 N 1.62 6.45 0.10 3.53 0.15 -1.26 -3.74 113.70 120.54 1x4y s SER 81 Ca 0.02 0.43 0.03 0.00 0.70 0.00 0.00 55.95 57.13 1x4y s SER 81 Cb -0.21 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1x4y s SER 81 CO -0.02 -1.41 -0.08 -0.72 1.20 0.00 0.00 173.24 172.21 1x4y s TYR 82 N 5.02 0.95 0.56 3.44 -0.85 -1.26 -4.51 117.35 120.70 1x4y s TYR 82 Ca 0.50 -0.79 -0.18 0.00 -0.52 0.00 0.00 57.07 56.08 1x4y s TYR 82 Cb -0.09 -0.53 -0.05 0.00 0.38 0.00 0.00 41.96 41.67 1x4y s TYR 82 CO 0.30 -0.08 1.07 -0.51 -1.52 0.00 0.00 175.55 174.81 1x4y s ASP 83 N -2.76 5.86 -0.05 -0.18 1.01 -1.26 -3.34 116.67 115.95 1x4y s ASP 83 Ca 0.09 1.94 -0.02 0.00 0.71 0.00 0.00 52.55 55.26 1x4y s ASP 83 Cb 0.01 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.42 1x4y s ASP 83 CO -0.02 -1.11 0.10 -0.63 0.21 0.00 0.00 175.17 173.71 1x4y s ILE 84 N -2.17 -0.04 0.19 0.77 1.01 0.22 -4.02 121.20 117.15 1x4y s ILE 84 Ca 0.67 0.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.44 1x4y s ILE 84 Cb -0.18 -0.17 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 1x4y s ILE 84 CO 0.30 0.07 0.18 -1.59 0.00 0.00 0.00 174.94 173.90 1x4y s LYS 85 N 0.95 1.18 0.27 2.79 -2.85 -0.99 -0.46 119.74 120.63 1x4y s LYS 85 Ca -0.07 -1.49 -0.06 0.00 -1.00 0.00 0.00 55.97 53.35 1x4y s LYS 85 Cb -0.10 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1x4y s LYS 85 CO -0.04 -0.40 0.38 0.00 0.10 0.00 0.00 175.35 175.40 1x4y s MET 86 N -4.10 1.58 -0.07 1.78 0.23 -1.26 -0.58 119.30 116.87 1x4y s MET 86 Ca 0.31 -1.52 -0.28 0.00 -1.03 0.00 0.00 55.69 53.17 1x4y s MET 86 Cb 0.06 0.41 0.06 0.00 -1.53 0.00 0.00 34.83 33.83 1x4y s MET 86 CO 0.08 -0.63 0.64 -1.14 -2.03 0.00 0.00 175.02 171.94 1x4y s GLN 87 N -3.75 0.97 0.13 3.16 0.74 0.57 -1.65 119.66 119.84 1x4y s GLN 87 Ca 0.30 0.30 0.04 0.00 0.05 0.00 0.00 55.36 56.05 1x4y s GLN 87 Cb 0.01 0.46 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 1x4y s GLN 87 CO 0.14 -0.28 0.15 0.00 -0.55 0.00 0.00 175.29 174.75 1x4y s PHE 89 N -1.64 0.69 0.23 0.00 -0.71 -1.26 -0.18 117.98 115.12 1x4y s PHE 89 Ca 0.31 -1.15 -0.22 0.00 -1.04 0.00 0.00 56.93 54.83 1x4y s PHE 89 Cb -0.11 -0.43 0.05 0.00 -1.21 0.00 0.00 43.02 41.32 1x4y s PHE 89 CO 0.24 -0.45 0.89 0.54 -1.34 0.00 0.00 175.22 175.10 1x4y s ASN 90 N -2.99 -0.13 0.32 1.98 4.22 -1.17 -1.28 114.94 115.90 1x4y s ASN 90 Ca 0.16 -0.63 0.18 0.00 -2.14 0.00 0.00 52.86 50.43 1x4y s ASN 90 Cb 0.08 0.61 1.17 0.00 1.28 0.00 0.00 41.25 44.38 1x4y s ASN 90 CO -0.04 -1.16 1.37 -1.84 -2.04 0.00 0.00 177.10 173.39 1x4y n GLU 91 N -0.52 -0.05 0.02 3.55 0.28 -1.26 0.86 120.64 123.51 1x4y n GLU 91 Ca -0.05 1.20 -0.12 0.00 -0.16 0.00 0.00 57.16 58.02 1x4y n GLU 91 Cb 0.60 -2.15 -0.08 0.00 1.43 0.00 0.00 31.44 31.24 1x4y n GLU 91 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1x4y h GLY 92 N 0.00 -0.01 0.00 -1.84 0.00 -1.90 -3.50 103.07 95.82 1x4y h GLY 92 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1x4y h GLY 92 CO -0.67 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.48 1x4y n GLY 93 N -0.50 1.31 3.77 4.60 0.00 0.25 -4.70 105.19 109.91 1x4y n GLY 93 Ca -0.08 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.87 4.25 0.68 1.61 2.02 -1.26 -3.03 118.70 121.09 1x4y s GLU 94 Ca 0.00 2.37 -0.07 0.00 0.02 0.00 0.00 54.97 57.29 1x4y s GLU 94 Cb 0.00 -3.04 0.15 0.00 0.10 0.00 0.00 34.13 31.34 1x4y s GLU 94 CO 0.00 -0.36 0.92 0.45 0.02 0.00 0.00 175.26 176.30 1x4y n SER 95 N 0.96 0.59 -4.35 -0.19 2.88 0.75 -4.88 113.62 109.38 1x4y n SER 95 Ca 0.02 -1.65 -0.28 0.00 -1.33 0.00 0.00 58.87 55.62 1x4y n SER 95 Cb 0.40 -0.66 0.26 0.00 -0.75 0.00 0.00 64.21 63.47 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 -4.93 -1.31 -0.20 -1.46 2.02 -1.11 -4.79 118.70 106.92 1x4y s GLU 96 Ca 0.56 0.70 -0.24 0.00 0.02 0.00 0.00 54.97 56.01 1x4y s GLU 96 Cb -0.02 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 1x4y s GLU 96 CO 0.38 -3.95 0.78 -0.06 0.02 0.00 0.00 175.26 172.43 1x4y s PHE 97 N -2.44 3.37 1.01 1.61 0.40 -1.26 -4.60 117.98 116.08 1x4y s PHE 97 Ca 0.69 1.12 -0.11 0.00 -0.60 0.00 0.00 56.93 58.03 1x4y s PHE 97 Cb -0.23 -2.97 0.20 0.00 0.51 0.00 0.00 43.02 40.52 1x4y s PHE 97 CO 0.64 -0.28 1.09 0.45 0.70 0.00 0.00 175.22 177.82 1x4y s SER 98 N 1.24 2.19 1.29 1.36 0.15 -0.66 -4.98 113.70 114.29 1x4y s SER 98 Ca 0.34 1.83 -0.19 0.00 0.70 0.00 0.00 55.95 58.64 1x4y s SER 98 Cb -0.16 -2.42 0.30 0.00 -1.71 0.00 0.00 66.02 62.03 1x4y s SER 98 CO 0.10 -3.50 0.75 -0.46 1.20 0.00 0.00 173.24 171.33 1x4y n ASN 99 N -4.47 -3.06 -4.43 5.45 6.94 -1.26 -4.65 115.26 109.77 1x4y n ASN 99 Ca 0.08 -0.50 -0.35 0.00 -0.02 0.00 0.00 54.58 53.78 1x4y n ASN 99 Cb 0.53 -1.05 -0.13 0.00 -2.36 0.00 0.00 39.78 36.78 1x4y n ASN 99 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1x4y s VAL 100 N -2.21 3.93 -0.18 3.53 1.01 -1.26 -4.49 120.40 120.73 1x4y s VAL 100 Ca 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1x4y s VAL 100 Cb -0.16 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1x4y s VAL 100 CO 0.58 0.42 -0.18 -0.04 0.00 0.00 0.00 175.10 175.88 1x4y s MET 101 N 1.13 3.06 -0.58 2.72 -1.94 0.39 -4.91 119.30 119.18 1x4y s MET 101 Ca 0.03 -0.80 -0.21 0.00 -1.71 0.00 0.00 55.69 53.00 1x4y s MET 101 Cb -0.14 -2.62 0.07 0.00 2.01 0.00 0.00 34.83 34.14 1x4y s MET 101 CO 0.01 -0.17 0.81 0.42 -0.01 0.00 0.00 175.02 176.08 1x4y s ILE 102 N 1.23 4.60 -0.32 2.53 1.01 -1.26 -0.61 121.20 128.37 1x4y s ILE 102 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 1x4y s ILE 102 Cb -0.14 -4.51 0.04 0.00 0.01 0.00 0.00 42.46 37.87 1x4y s ILE 102 CO -0.09 -1.14 0.07 0.00 0.00 0.00 0.00 174.94 173.78 1x4y s GLU 104 N 1.36 4.43 1.21 0.00 2.12 -1.26 -4.33 118.70 122.22 1x4y s GLU 104 Ca -0.03 1.64 -0.20 0.00 0.36 0.00 0.00 54.97 56.74 1x4y s GLU 104 Cb -0.19 -3.46 0.30 0.00 0.26 0.00 0.00 34.13 31.04 1x4y s GLU 104 CO 0.02 -0.29 0.96 0.25 -0.54 0.00 0.00 175.26 175.66 1x4y n THR 105 N 4.21 0.00 -3.27 -1.70 -2.24 -1.25 -4.59 114.28 105.45 1x4y n THR 105 Ca 0.09 -0.33 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 1x4y n THR 105 Cb 0.47 -1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 67.54 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 -5.22 3.58 0.12 -0.78 1.02 -1.07 -4.12 119.74 113.27 1x4y s LYS 106 Ca 0.65 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 1x4y s LYS 106 Cb -0.08 -2.62 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1x4y s LYS 106 CO 0.51 0.14 1.16 0.00 -0.92 0.00 0.00 175.35 176.24 1x4y s ALA 107 N -2.23 3.38 -1.32 5.17 0.00 -1.26 -0.64 121.76 124.85 1x4y s ALA 107 Ca 0.43 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 1x4y s ALA 107 Cb -0.10 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1x4y s ALA 107 CO 0.34 -0.34 2.92 2.89 0.00 0.00 0.00 175.76 181.56 1x4y n ARG 108 N 3.14 3.64 -3.00 0.00 1.85 -1.26 -4.80 116.66 116.23 1x4y n ARG 108 Ca 0.06 -2.33 -0.42 0.00 -1.00 0.00 0.00 57.85 54.16 1x4y n ARG 108 Cb 0.46 -2.64 -0.06 0.00 -1.05 0.00 0.00 32.46 29.17 1x4y n ARG 108 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1x4y s SER 109 N 1.70 6.48 0.15 2.89 0.15 -1.26 -5.04 113.70 118.77 1x4y s SER 109 Ca 0.66 0.16 0.09 0.00 0.70 0.00 0.00 55.95 57.56 1x4y s SER 109 Cb 0.21 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1x4y s SER 109 CO -0.07 -0.75 -0.21 -0.83 1.20 0.00 0.00 173.24 172.59 1x4y s GLY 110 N 1.91 1.44 0.38 9.45 0.00 -1.26 -5.03 107.32 114.20 1x4y s GLY 110 Ca 0.29 -1.46 0.17 0.00 0.00 0.00 0.00 44.72 43.71 1x4y s GLY 110 CO 0.18 -1.49 1.79 -0.56 0.00 0.00 0.00 173.10 173.01 1x4y h PRO 111 N 3.48 0.00 0.23 2.90 0.13 -2.03 -3.23 132.00 133.48 1x4y h PRO 111 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1x4y h PRO 111 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4y h PRO 111 CO 0.47 0.38 -0.11 1.03 -0.23 0.00 0.00 178.00 179.54 1x4y h SER 112 N 0.00 -0.26 -3.47 1.44 0.87 -2.02 -3.42 113.55 106.69 1x4y h SER 112 Ca -0.00 -0.21 -0.52 0.00 -1.23 0.00 0.00 61.79 59.82 1x4y h SER 112 Cb 0.78 0.07 0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1x4y h SER 112 CO 0.05 0.09 0.61 -0.94 -0.53 0.00 0.00 176.83 176.10 1x4y s SER 113 N -5.19 6.98 0.00 6.23 1.04 -1.22 -5.30 113.70 116.24 1x4y s SER 113 Ca -0.14 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1x4y s SER 113 Cb 0.02 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1x4y s SER 113 CO 0.58 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.96