#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 5.08 -0.17 1.61 0.01 -1.26 -5.07 113.70 113.90 1x4y s SER 2 Ca 0.00 -1.63 -0.14 0.00 1.31 0.00 0.00 55.95 55.49 1x4y s SER 2 Cb 0.00 -1.77 0.05 0.00 0.21 0.00 0.00 66.02 64.51 1x4y s SER 2 CO 0.00 -0.39 0.44 -0.44 0.41 0.00 0.00 173.24 173.26 1x4y s SER 3 N 1.49 -0.49 0.85 2.44 0.01 -1.26 -5.16 113.70 111.58 1x4y s SER 3 Ca 0.02 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.07 1x4y s SER 3 Cb -0.21 0.88 0.10 0.00 0.21 0.00 0.00 66.02 67.00 1x4y s SER 3 CO -0.02 -0.17 1.09 -0.83 0.41 0.00 0.00 173.24 173.72 1x4y s GLY 4 N 0.59 1.63 -0.00 3.44 0.00 -1.26 -5.07 107.32 106.64 1x4y s GLY 4 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.66 1x4y s GLY 4 CO -0.04 0.44 0.04 -0.45 0.00 0.00 0.00 173.10 173.09 1x4y s SER 5 N -3.49 0.06 -0.00 1.64 0.15 -1.26 -5.16 113.70 105.64 1x4y s SER 5 Ca 0.62 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.08 1x4y s SER 5 Cb -0.17 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1x4y s SER 5 CO 0.56 -0.18 0.21 -0.44 1.20 0.00 0.00 173.24 174.59 1x4y s SER 6 N -0.75 6.41 0.00 5.45 0.01 -1.26 -4.99 113.70 118.56 1x4y s SER 6 Ca -0.08 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1x4y s SER 6 Cb -0.05 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1x4y s SER 6 CO 0.00 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1x4y n GLY 7 N 1.00 -0.34 3.77 3.44 0.00 -1.26 -4.40 105.19 107.39 1x4y n GLY 7 Ca -0.11 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.53 4.32 0.00 1.61 0.04 -1.26 -4.94 135.00 133.24 1x4y s PRO 8 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1x4y s PRO 8 Cb 0.00 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1x4y s PRO 8 CO 0.00 -0.14 0.00 1.33 0.04 0.00 0.00 177.00 178.23 1x4y n VAL 9 N 0.66 0.00 -0.30 -0.36 0.24 -1.26 -3.90 118.33 113.42 1x4y n VAL 9 Ca 0.01 0.00 0.22 0.00 -2.04 0.00 0.00 64.34 62.53 1x4y n VAL 9 Cb 0.44 -0.60 0.52 0.00 -1.47 0.00 0.00 33.84 32.73 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 2.25 -3.86 2.33 0.00 -1.92 -3.23 119.26 114.83 1x4y h ALA 10 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x4y h ALA 10 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1x4y h ALA 10 CO 0.00 -0.61 -0.98 0.41 0.00 0.00 0.00 179.25 178.07 1x4y n GLY 11 N -1.50 -4.18 3.77 0.00 0.00 -1.26 -4.88 105.19 97.14 1x4y n GLY 11 Ca 0.23 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -5.09 2.60 -0.10 1.61 0.04 -1.26 -4.74 135.00 128.06 1x4y s PRO 12 Ca 0.00 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.39 1x4y s PRO 12 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1x4y s PRO 12 CO 0.00 -1.40 -0.23 -0.47 0.04 0.00 0.00 177.00 174.94 1x4y s TYR 13 N -2.54 2.50 -0.41 0.56 5.04 -0.43 -4.57 117.35 117.50 1x4y s TYR 13 Ca 0.65 -1.06 -0.27 0.00 -2.44 0.00 0.00 57.07 53.95 1x4y s TYR 13 Cb -0.19 -1.68 0.02 0.00 0.35 0.00 0.00 41.96 40.45 1x4y s TYR 13 CO 0.47 -0.44 0.99 0.42 -1.34 0.00 0.00 175.55 175.65 1x4y s ILE 14 N 0.44 4.46 -0.41 3.14 1.01 -1.26 0.22 121.20 128.80 1x4y s ILE 14 Ca -0.17 1.14 0.04 0.00 0.00 0.00 0.00 60.65 61.66 1x4y s ILE 14 Cb -0.17 -4.43 0.11 0.00 0.01 0.00 0.00 42.46 37.98 1x4y s ILE 14 CO 0.07 -0.71 1.03 0.35 0.00 0.00 0.00 174.94 175.67 1x4y n THR 15 N 6.28 0.83 -3.68 2.92 -2.24 -1.01 -4.96 114.28 112.42 1x4y n THR 15 Ca 0.08 -0.92 -0.14 0.00 -2.27 0.00 0.00 64.05 60.81 1x4y n THR 15 Cb 0.48 0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.90 -0.34 -0.19 4.78 2.19 -1.17 -4.97 117.98 117.39 1x4y s PHE 16 Ca 0.09 0.83 -0.04 0.00 0.33 0.00 0.00 56.93 58.14 1x4y s PHE 16 Cb 0.05 -0.08 0.08 0.00 -1.31 0.00 0.00 43.02 41.76 1x4y s PHE 16 CO 0.06 -0.31 0.20 0.95 1.83 0.00 0.00 175.22 177.96 1x4y s THR 17 N 2.15 -0.29 0.03 0.12 -4.23 -1.26 -1.78 115.64 110.39 1x4y s THR 17 Ca -0.00 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.34 1x4y s THR 17 Cb -0.12 -0.63 -0.00 0.00 1.34 0.00 0.00 72.50 73.09 1x4y s THR 17 CO -0.08 -0.18 0.16 1.51 -0.54 0.00 0.00 174.62 175.49 1x4y s ASP 18 N 2.30 0.07 -0.45 3.99 1.47 -0.35 -4.96 116.67 118.74 1x4y s ASP 18 Ca 0.06 -0.39 -0.17 0.00 1.18 0.00 0.00 52.55 53.23 1x4y s ASP 18 Cb -0.15 0.26 0.04 0.00 -0.34 0.00 0.00 42.92 42.73 1x4y s ASP 18 CO -0.11 -0.52 0.46 0.00 0.68 0.00 0.00 175.17 175.68 1x4y s ALA 19 N -2.40 3.46 0.38 2.11 0.00 -1.26 0.42 121.76 124.47 1x4y s ALA 19 Ca -0.06 -1.75 0.18 0.00 0.00 0.00 0.00 51.96 50.33 1x4y s ALA 19 Cb -0.02 -3.12 1.00 0.00 0.00 0.00 0.00 23.12 20.99 1x4y s ALA 19 CO -0.03 -1.72 1.93 0.28 0.00 0.00 0.00 175.76 176.22 1x4y h VAL 20 N 5.76 0.99 -2.45 0.00 2.07 -1.66 -3.45 116.25 117.51 1x4y h VAL 20 Ca -0.27 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.36 1x4y h VAL 20 Cb 1.11 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1x4y h VAL 20 CO 0.85 0.24 0.22 0.59 0.02 0.00 0.00 177.57 179.50 1x4y n ASN 21 N -3.97 -1.26 0.26 0.57 3.02 -0.65 -4.92 115.26 108.31 1x4y n ASN 21 Ca -0.02 -1.82 0.17 0.00 -0.03 0.00 0.00 54.58 52.88 1x4y n ASN 21 Cb 0.32 2.09 0.70 0.00 -0.61 0.00 0.00 39.78 42.28 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 -2.61 114.58 122.68 1x4y h GLU 22 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 1x4y h GLU 22 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 1x4y h GLU 22 CO 0.24 0.00 -0.19 0.25 0.05 0.00 0.00 179.01 179.37 1x4y n THR 23 N -2.95 0.76 -4.01 -1.06 -2.24 -1.26 -2.58 114.28 100.94 1x4y n THR 23 Ca 0.01 -0.88 -0.11 0.00 -2.27 0.00 0.00 64.05 60.79 1x4y n THR 23 Cb 0.27 0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.08 0.25 -0.06 4.28 2.01 -1.14 -1.62 115.64 118.27 1x4y s THR 24 Ca 0.10 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1x4y s THR 24 Cb 0.09 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.28 1x4y s THR 24 CO 0.01 -0.37 0.15 -0.63 -0.69 0.00 0.00 174.62 173.10 1x4y s ILE 25 N -1.18 -0.02 -0.22 1.82 1.01 -0.54 -1.64 121.20 120.43 1x4y s ILE 25 Ca -0.11 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 1x4y s ILE 25 Cb -0.08 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 1x4y s ILE 25 CO -0.00 0.03 -0.00 -0.32 0.00 0.00 0.00 174.94 174.65 1x4y s MET 26 N 0.61 3.55 -0.00 2.79 -2.45 0.17 -0.00 119.30 123.96 1x4y s MET 26 Ca -0.04 -0.55 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 1x4y s MET 26 Cb -0.06 -3.10 -0.01 0.00 1.25 0.00 0.00 34.83 32.91 1x4y s MET 26 CO -0.03 -0.09 -0.07 -0.48 1.05 0.00 0.00 175.02 175.40 1x4y s LEU 27 N 1.27 2.04 0.03 4.11 2.34 -1.13 -1.21 118.68 126.12 1x4y s LEU 27 Ca 0.04 -0.16 0.08 0.00 0.06 0.00 0.00 54.13 54.15 1x4y s LEU 27 Cb -0.15 -0.33 -0.03 0.00 -0.56 0.00 0.00 46.19 45.13 1x4y s LEU 27 CO 0.01 0.06 -0.24 -0.54 -1.06 0.00 0.00 176.35 174.57 1x4y s LYS 28 N -0.29 1.70 0.22 1.48 3.01 -0.73 -2.78 119.74 122.35 1x4y s LYS 28 Ca 0.02 -1.00 0.12 0.00 -1.01 0.00 0.00 55.97 54.09 1x4y s LYS 28 Cb -0.03 -1.81 -0.05 0.00 -1.01 0.00 0.00 37.83 34.94 1x4y s LYS 28 CO -0.00 0.47 -0.23 1.67 0.51 0.00 0.00 175.35 177.77 1x4y s TRP 29 N -0.75 2.30 0.30 3.18 -2.14 -0.97 -2.42 118.94 118.44 1x4y s TRP 29 Ca 0.10 -0.35 0.11 0.00 2.66 0.00 0.00 56.10 58.62 1x4y s TRP 29 Cb -0.09 -1.09 -0.05 0.00 -3.10 0.00 0.00 33.47 29.13 1x4y s TRP 29 CO 0.01 0.57 -0.13 0.00 -2.66 0.00 0.00 176.95 174.75 1x4y s MET 30 N -2.95 1.85 -0.03 3.25 0.23 0.13 -4.83 119.30 116.95 1x4y s MET 30 Ca 0.24 -1.75 0.07 0.00 -1.03 0.00 0.00 55.69 53.22 1x4y s MET 30 Cb -0.07 -1.83 -0.02 0.00 -1.53 0.00 0.00 34.83 31.38 1x4y s MET 30 CO 0.12 0.28 -0.23 -0.47 -2.03 0.00 0.00 175.02 172.68 1x4y s TYR 31 N -2.50 2.42 -0.61 3.16 5.04 -1.26 -1.31 117.35 122.29 1x4y s TYR 31 Ca 0.31 -0.43 -0.13 0.00 -2.44 0.00 0.00 57.07 54.38 1x4y s TYR 31 Cb -0.03 -1.54 0.16 0.00 0.35 0.00 0.00 41.96 40.89 1x4y s TYR 31 CO 0.17 -0.03 0.53 0.42 -1.34 0.00 0.00 175.55 175.30 1x4y s ILE 32 N -0.55 4.95 0.20 3.14 -1.09 -1.26 -4.91 121.20 121.69 1x4y s ILE 32 Ca 0.08 -1.97 0.26 0.00 -2.23 0.00 0.00 60.65 56.79 1x4y s ILE 32 Cb -0.11 -4.16 0.27 0.00 -1.58 0.00 0.00 42.46 36.88 1x4y s ILE 32 CO 0.00 -0.89 1.90 1.55 -1.23 0.00 0.00 174.94 176.27 1x4y h PRO 33 N 8.31 0.00 0.00 2.79 0.13 -1.98 -3.28 132.00 137.97 1x4y h PRO 33 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1x4y h PRO 33 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1x4y h PRO 33 CO 0.89 0.18 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 1x4y n ALA 34 N -2.22 -0.25 -0.59 -0.56 0.00 -1.26 -2.29 120.51 113.35 1x4y n ALA 34 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1x4y n ALA 34 Cb 0.37 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.08 5.64 -4.88 0.00 7.64 -1.25 -4.89 113.62 113.80 1x4y n SER 35 Ca 0.00 -2.77 -0.26 0.00 1.01 0.00 0.00 58.87 56.86 1x4y n SER 35 Cb 0.00 -1.02 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 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 0.80 5.99 -0.42 6.43 2.47 -0.97 -4.71 114.94 124.54 1x4y s ASN 36 Ca 0.19 0.04 0.05 0.00 0.42 0.00 0.00 52.86 53.55 1x4y s ASN 36 Cb 0.15 -1.71 0.67 0.00 -1.45 0.00 0.00 41.25 38.90 1x4y s ASN 36 CO 0.00 0.05 1.89 -3.20 -3.72 0.00 0.00 177.10 172.12 1x4y n ASN 37 N -0.52 3.88 -4.33 -4.21 5.15 -1.26 -4.90 115.26 109.05 1x4y n ASN 37 Ca -0.08 -3.52 -0.36 0.00 -0.60 0.00 0.00 54.58 50.02 1x4y n ASN 37 Cb 0.54 -0.82 -0.06 0.00 -0.53 0.00 0.00 39.78 38.91 1x4y n ASN 37 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1x4y n ASN 38 N -0.98 -1.55 -4.55 1.20 4.13 -1.26 -4.92 115.26 107.33 1x4y n ASN 38 Ca 0.56 -1.15 -0.34 0.00 1.68 0.00 0.00 54.58 55.33 1x4y n ASN 38 Cb 1.62 -2.13 -0.12 0.00 -1.54 0.00 0.00 39.78 37.61 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 -3.57 3.70 0.45 3.41 -1.32 -1.26 -5.10 115.64 111.94 1x4y s THR 39 Ca 0.54 -0.47 -0.23 0.00 -1.21 0.00 0.00 61.69 60.32 1x4y s THR 39 Cb -0.31 -2.54 -0.08 0.00 -1.51 0.00 0.00 72.50 68.07 1x4y s THR 39 CO 0.98 0.57 1.17 -2.16 -2.21 0.00 0.00 174.62 172.97 1x4y s PRO 40 N -0.47 3.81 -0.01 7.08 0.04 -1.26 -4.99 135.00 139.20 1x4y s PRO 40 Ca 0.07 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1x4y s PRO 40 Cb -0.12 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1x4y s PRO 40 CO 0.02 -0.51 0.02 0.42 0.04 0.00 0.00 177.00 176.99 1x4y s ILE 41 N -1.52 4.28 0.01 0.56 1.01 -1.26 -4.71 121.20 119.58 1x4y s ILE 41 Ca 0.62 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 1x4y s ILE 41 Cb -0.29 -2.91 -0.22 0.00 0.01 0.00 0.00 42.46 39.05 1x4y s ILE 41 CO 0.36 0.39 1.14 0.45 0.00 0.00 0.00 174.94 177.27 1x4y h HIS 42 N 4.35 0.59 -0.18 3.97 3.86 -1.74 -3.42 115.15 122.59 1x4y h HIS 42 Ca -0.49 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 1x4y h HIS 42 Cb 1.18 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1x4y h HIS 42 CO 0.62 1.10 0.00 0.41 0.86 0.00 0.00 177.93 180.92 1x4y n GLY 43 N 0.93 1.79 2.71 2.45 0.00 -1.21 -3.62 105.19 108.26 1x4y n GLY 43 Ca -0.09 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.62 0.02 -0.06 1.61 0.08 0.43 -3.76 117.98 114.68 1x4y s PHE 44 Ca 0.00 0.30 -0.12 0.00 0.12 0.00 0.00 56.93 57.22 1x4y s PHE 44 Cb 0.00 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 1x4y s PHE 44 CO 0.00 -0.19 0.32 0.71 -0.10 0.00 0.00 175.22 175.96 1x4y s TYR 45 N 2.04 3.64 -0.10 0.36 2.02 0.55 0.44 117.35 126.31 1x4y s TYR 45 Ca 0.03 0.80 0.01 0.00 -0.37 0.00 0.00 57.07 57.54 1x4y s TYR 45 Cb -0.12 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.25 1x4y s TYR 45 CO -0.03 0.59 -0.12 0.42 -1.57 0.00 0.00 175.55 174.84 1x4y s ILE 46 N -0.77 1.27 0.03 2.71 1.01 0.08 -0.28 121.20 125.25 1x4y s ILE 46 Ca 0.20 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1x4y s ILE 46 Cb -0.15 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1x4y s ILE 46 CO 0.09 0.40 -0.02 -0.31 0.00 0.00 0.00 174.94 175.10 1x4y s TYR 47 N 1.18 2.99 0.06 3.97 1.51 0.00 -0.44 117.35 126.63 1x4y s TYR 47 Ca -0.04 0.01 -0.23 0.00 -1.01 0.00 0.00 57.07 55.80 1x4y s TYR 47 Cb -0.14 -1.61 0.06 0.00 -0.11 0.00 0.00 41.96 40.15 1x4y s TYR 47 CO -0.03 0.44 0.55 1.52 -1.11 0.00 0.00 175.55 176.92 1x4y s TYR 48 N -1.13 -0.46 -0.28 2.71 1.13 -1.25 -2.75 117.35 115.32 1x4y s TYR 48 Ca 0.21 0.51 -0.26 0.00 -1.41 0.00 0.00 57.07 56.11 1x4y s TYR 48 Cb -0.11 0.38 0.17 0.00 -1.10 0.00 0.00 41.96 41.30 1x4y s TYR 48 CO 0.12 -0.68 1.28 -0.98 -2.51 0.00 0.00 175.55 172.79 1x4y s ARG 49 N -2.55 0.22 0.31 -3.49 1.04 -1.26 -2.07 118.95 111.15 1x4y s ARG 49 Ca -0.05 0.20 -0.29 0.00 -1.04 0.00 0.00 55.73 54.55 1x4y s ARG 49 Cb -0.01 0.11 -0.10 0.00 -2.04 0.00 0.00 34.95 32.91 1x4y s ARG 49 CO -0.02 -0.04 1.23 -1.25 -0.04 0.00 0.00 175.30 175.17 1x4y s PRO 50 N -0.22 4.47 0.60 3.89 0.04 -1.26 -4.25 135.00 138.27 1x4y s PRO 50 Ca 0.06 2.05 0.30 0.00 0.04 0.00 0.00 61.00 63.45 1x4y s PRO 50 Cb -0.04 -3.12 1.71 0.00 0.04 0.00 0.00 34.50 33.09 1x4y s PRO 50 CO -0.10 -0.03 2.10 0.00 0.04 0.00 0.00 177.00 179.00 1x4y h THR 51 N 3.06 0.39 0.00 1.26 1.03 -1.94 0.27 112.91 116.98 1x4y h THR 51 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1x4y h THR 51 Cb 1.22 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1x4y h THR 51 CO 0.66 0.00 0.00 0.44 -0.01 0.00 0.00 175.52 176.61 1x4y h ASP 52 N 0.00 0.00 -1.69 0.00 3.32 -1.92 -3.44 116.42 112.68 1x4y h ASP 52 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1x4y h ASP 52 Cb 0.50 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.14 1x4y h ASP 52 CO -0.00 0.00 -0.07 -1.20 -1.72 0.00 0.00 179.24 176.25 1x4y n SER 53 N -2.39 -2.70 -0.09 6.45 7.64 0.95 -5.01 113.62 118.46 1x4y n SER 53 Ca 0.02 -0.36 -0.16 0.00 1.01 0.00 0.00 58.87 59.38 1x4y n SER 53 Cb 0.23 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 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 -3.16 1.78 -2.19 6.43 2.03 -1.26 -5.09 116.55 115.08 1x4y n ASP 54 Ca 0.06 0.30 -0.08 0.00 0.52 0.00 0.00 54.79 55.59 1x4y n ASP 54 Cb 0.25 -0.70 -0.01 0.00 -0.72 0.00 0.00 41.12 39.94 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 -4.23 -1.05 0.18 1.67 3.02 -1.26 -5.00 115.26 108.60 1x4y n ASN 55 Ca -0.27 -2.11 0.09 0.00 -0.03 0.00 0.00 54.58 52.25 1x4y n ASN 55 Cb 0.62 1.86 0.46 0.00 -0.61 0.00 0.00 39.78 42.11 1x4y n ASN 55 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1x4y h ASP 56 N 1.23 0.00 0.00 6.41 2.03 -1.99 -1.03 116.42 123.07 1x4y h ASP 56 Ca -0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 1x4y h ASP 56 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 1x4y h ASP 56 CO 0.24 0.00 0.11 -0.24 -1.03 0.00 0.00 179.24 178.32 1x4y n SER 57 N -2.18 0.33 -0.08 4.15 2.88 -1.26 -0.59 113.62 116.86 1x4y n SER 57 Ca -0.01 0.60 -0.13 0.00 -1.33 0.00 0.00 58.87 58.00 1x4y n SER 57 Cb 0.26 -0.61 -0.15 0.00 -0.75 0.00 0.00 64.21 62.97 1x4y n SER 57 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x4y n ASP 58 N -1.94 0.82 -4.69 -3.46 9.92 -0.39 -4.95 116.55 111.85 1x4y n ASP 58 Ca -0.01 0.07 -0.63 0.00 -0.53 0.00 0.00 54.79 53.69 1x4y n ASP 58 Cb 0.13 0.30 -0.09 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.99 1.63 -2.42 1.24 4.01 0.24 -4.85 117.16 114.02 1x4y n TYR 59 Ca -0.33 0.97 -0.12 0.00 -0.16 0.00 0.00 57.90 58.26 1x4y n TYR 59 Cb 1.09 -2.26 0.06 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 3.82 0.21 -3.73 -0.72 5.02 -0.88 -4.86 118.16 117.02 1x4y n LYS 60 Ca 0.27 -1.44 -0.14 0.00 -2.02 0.00 0.00 58.31 54.98 1x4y n LYS 60 Cb 0.02 -0.36 -0.14 0.00 -0.02 0.00 0.00 35.03 34.52 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 -3.85 0.11 -0.21 1.97 2.20 -1.24 -3.87 119.74 114.84 1x4y s LYS 61 Ca 0.35 0.45 0.01 0.00 -0.36 0.00 0.00 55.97 56.42 1x4y s LYS 61 Cb -0.02 -0.18 0.05 0.00 -1.51 0.00 0.00 37.83 36.17 1x4y s LYS 61 CO 0.24 -0.19 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.44 1x4y s ASP 62 N 1.43 3.56 0.22 1.43 1.11 0.42 -4.86 116.67 119.98 1x4y s ASP 62 Ca -0.07 -1.00 -0.29 0.00 0.18 0.00 0.00 52.55 51.37 1x4y s ASP 62 Cb -0.11 -1.20 -0.09 0.00 1.07 0.00 0.00 42.92 42.59 1x4y s ASP 62 CO -0.07 -0.18 0.91 -0.32 1.18 0.00 0.00 175.17 176.69 1x4y s MET 63 N 1.40 4.79 0.00 8.23 1.75 -1.25 -0.74 119.30 133.49 1x4y s MET 63 Ca -0.03 1.42 -0.00 0.00 -1.25 0.00 0.00 55.69 55.83 1x4y s MET 63 Cb -0.17 -3.28 -0.00 0.00 2.84 0.00 0.00 34.83 34.21 1x4y s MET 63 CO -0.07 0.51 -0.00 0.08 -0.65 0.00 0.00 175.02 174.88 1x4y s VAL 64 N -1.09 0.03 0.42 10.11 1.01 0.17 -4.89 120.40 126.16 1x4y s VAL 64 Ca 0.40 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1x4y s VAL 64 Cb -0.25 -0.07 -0.15 0.00 0.00 0.00 0.00 36.38 35.90 1x4y s VAL 64 CO 0.31 -0.12 0.03 -0.62 0.00 0.00 0.00 175.10 174.70 1x4y n GLU 65 N 2.73 0.00 0.25 2.72 1.02 -1.26 0.16 120.64 126.26 1x4y n GLU 65 Ca -0.15 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1x4y n GLU 65 Cb 0.59 -0.98 0.58 0.00 -0.02 0.00 0.00 31.44 31.61 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 0.22 0.00 1.12 0.62 0.00 -1.82 -2.52 103.07 100.69 1x4y h GLY 66 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1x4y h GLY 66 CO 0.45 0.00 -0.61 1.34 0.00 0.00 0.00 176.54 177.71 1x4y n ASP 67 N -3.36 0.64 -4.71 0.19 2.03 -1.26 -4.85 116.55 105.23 1x4y n ASP 67 Ca -0.00 0.04 -0.41 0.00 0.52 0.00 0.00 54.79 54.94 1x4y n ASP 67 Cb 0.36 0.20 -0.04 0.00 -0.72 0.00 0.00 41.12 40.92 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 -3.14 4.50 -0.09 -0.67 6.06 -0.95 -4.93 118.95 119.72 1x4y s ARG 68 Ca 0.07 1.21 0.13 0.00 -2.50 0.00 0.00 55.73 54.64 1x4y s ARG 68 Cb 0.14 -3.47 0.30 0.00 0.06 0.00 0.00 34.95 31.99 1x4y s ARG 68 CO 0.72 -0.04 1.22 0.66 -2.50 0.00 0.00 175.30 175.35 1x4y n TYR 69 N 3.99 0.36 -3.87 5.12 4.02 -1.26 -4.82 117.16 120.70 1x4y n TYR 69 Ca 0.04 -0.77 -0.11 0.00 -0.01 0.00 0.00 57.90 57.04 1x4y n TYR 69 Cb 0.51 -0.16 -0.10 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 -2.14 0.03 -0.26 -0.72 1.48 -1.26 -2.29 118.94 113.78 1x4y s TRP 70 Ca 0.27 -0.11 -0.14 0.00 -1.06 0.00 0.00 56.10 55.05 1x4y s TRP 70 Cb 0.21 -0.04 0.08 0.00 -1.16 0.00 0.00 33.47 32.56 1x4y s TRP 70 CO 0.06 -0.28 0.64 -1.58 -4.06 0.00 0.00 176.95 171.73 1x4y s HIS 71 N -1.32 -1.00 -0.50 1.66 2.46 -1.12 -5.05 115.29 110.42 1x4y s HIS 71 Ca -0.14 2.00 -0.14 0.00 0.47 0.00 0.00 55.06 57.24 1x4y s HIS 71 Cb -0.07 0.58 0.11 0.00 -0.13 0.00 0.00 32.58 33.07 1x4y s HIS 71 CO 0.01 -0.50 0.43 -1.54 -2.47 0.00 0.00 174.74 170.67 1x4y s SER 72 N 1.68 6.05 0.69 9.88 1.04 -1.26 -2.86 113.70 128.91 1x4y s SER 72 Ca -0.10 -1.68 -0.14 0.00 0.48 0.00 0.00 55.95 54.51 1x4y s SER 72 Cb -0.06 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 63.92 1x4y s SER 72 CO -0.19 -0.75 1.12 -0.63 0.98 0.00 0.00 173.24 173.77 1x4y s ILE 73 N 1.56 3.13 0.31 -1.02 1.01 0.99 -4.82 121.20 122.36 1x4y s ILE 73 Ca 0.04 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1x4y s ILE 73 Cb -0.27 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 1x4y s ILE 73 CO 0.03 -0.35 0.36 -1.20 0.00 0.00 0.00 174.94 173.79 1x4y n SER 74 N -2.62 -0.99 -3.57 3.58 7.64 -1.26 -1.46 113.62 114.94 1x4y n SER 74 Ca 0.11 -2.80 -0.20 0.00 1.01 0.00 0.00 58.87 56.99 1x4y n SER 74 Cb 0.52 1.97 0.06 0.00 -1.01 0.00 0.00 64.21 65.74 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 -0.54 -2.05 -4.05 1.43 8.25 -0.64 -4.91 115.22 112.71 1x4y n HIS 75 Ca 0.03 0.87 -0.17 0.00 -0.26 0.00 0.00 57.72 58.19 1x4y n HIS 75 Cb 0.53 -4.63 -0.02 0.00 1.12 0.00 0.00 29.99 27.00 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 -4.15 0.00 -4.86 2.41 4.77 -1.07 -5.06 117.00 109.03 1x4y n LEU 76 Ca -0.28 -1.75 -0.37 0.00 -0.03 0.00 0.00 56.01 53.58 1x4y n LEU 76 Cb 0.67 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 1x4y n LEU 76 CO 0.65 -0.36 -0.04 -1.10 -1.33 0.00 0.00 177.39 175.21 1x4y s GLN 77 N -3.20 3.66 0.52 3.23 1.11 -1.26 -4.60 119.66 119.12 1x4y s GLN 77 Ca 0.10 0.11 -0.20 0.00 0.01 0.00 0.00 55.36 55.38 1x4y s GLN 77 Cb -0.01 -3.19 -0.06 0.00 -1.01 0.00 0.00 33.01 28.74 1x4y s GLN 77 CO 0.06 0.73 1.14 -1.25 0.01 0.00 0.00 175.29 175.98 1x4y s PRO 78 N -1.14 3.46 -1.30 2.91 0.04 -1.06 -3.38 135.00 134.53 1x4y s PRO 78 Ca 0.20 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1x4y s PRO 78 Cb -0.14 -2.11 0.17 0.00 0.04 0.00 0.00 34.50 32.46 1x4y s PRO 78 CO 0.09 -0.77 0.41 -0.85 0.04 0.00 0.00 177.00 175.93 1x4y n GLU 79 N -1.09 -0.82 -3.69 4.56 0.28 0.66 -4.83 120.64 115.70 1x4y n GLU 79 Ca 0.11 0.10 -0.38 0.00 -0.16 0.00 0.00 57.16 56.82 1x4y n GLU 79 Cb 0.50 -3.28 -0.11 0.00 1.43 0.00 0.00 31.44 29.98 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 -2.55 3.83 -0.65 3.84 2.01 -1.22 -4.87 115.64 116.03 1x4y s THR 80 Ca 0.58 -1.52 -0.27 0.00 0.31 0.00 0.00 61.69 60.79 1x4y s THR 80 Cb -0.34 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1x4y s THR 80 CO 0.71 -0.47 1.40 -0.55 -0.69 0.00 0.00 174.62 175.02 1x4y s SER 81 N 1.89 6.05 0.11 3.53 0.15 -1.26 -3.83 113.70 120.34 1x4y s SER 81 Ca 0.03 -0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.68 1x4y s SER 81 Cb -0.22 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1x4y s SER 81 CO 0.00 -1.84 -0.15 -0.72 1.20 0.00 0.00 173.24 171.73 1x4y s TYR 82 N 6.25 1.44 0.59 3.44 -0.85 -1.26 -4.51 117.35 122.44 1x4y s TYR 82 Ca 0.46 -0.51 -0.17 0.00 -0.52 0.00 0.00 57.07 56.32 1x4y s TYR 82 Cb -0.09 -0.76 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 1x4y s TYR 82 CO 0.20 0.15 1.09 -0.51 -1.52 0.00 0.00 175.55 174.96 1x4y s ASP 83 N -2.27 5.64 -0.01 -0.18 1.01 -1.26 -3.52 116.67 116.07 1x4y s ASP 83 Ca 0.07 1.97 -0.00 0.00 0.71 0.00 0.00 52.55 55.30 1x4y s ASP 83 Cb -0.06 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1x4y s ASP 83 CO 0.03 -1.27 0.01 -0.63 0.21 0.00 0.00 175.17 173.53 1x4y s ILE 84 N -2.19 -0.02 0.17 0.77 1.01 0.40 -4.17 121.20 117.15 1x4y s ILE 84 Ca 0.67 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 61.31 1x4y s ILE 84 Cb -0.19 -0.04 -0.00 0.00 0.01 0.00 0.00 42.46 42.23 1x4y s ILE 84 CO 0.34 0.04 0.32 -1.59 0.00 0.00 0.00 174.94 174.04 1x4y s LYS 85 N 0.43 1.18 0.29 2.79 -2.85 -1.11 -0.42 119.74 120.04 1x4y s LYS 85 Ca -0.04 -1.11 -0.08 0.00 -1.00 0.00 0.00 55.97 53.74 1x4y s LYS 85 Cb -0.05 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1x4y s LYS 85 CO -0.01 -0.44 0.47 0.00 0.10 0.00 0.00 175.35 175.47 1x4y s MET 86 N -3.95 1.69 -0.13 1.78 0.23 -1.26 -0.82 119.30 116.85 1x4y s MET 86 Ca 0.15 -1.47 -0.29 0.00 -1.03 0.00 0.00 55.69 53.05 1x4y s MET 86 Cb 0.03 0.46 0.08 0.00 -1.53 0.00 0.00 34.83 33.86 1x4y s MET 86 CO -0.01 -0.70 0.73 -1.14 -2.03 0.00 0.00 175.02 171.87 1x4y s GLN 87 N -3.58 0.94 0.39 3.16 0.74 0.62 -1.66 119.66 120.27 1x4y s GLN 87 Ca 0.26 0.48 0.02 0.00 0.05 0.00 0.00 55.36 56.17 1x4y s GLN 87 Cb -0.00 0.45 -0.01 0.00 1.10 0.00 0.00 33.01 34.54 1x4y s GLN 87 CO 0.13 -0.24 0.58 0.00 -0.55 0.00 0.00 175.29 175.21 1x4y s PHE 89 N -2.38 -0.08 0.24 0.00 -0.71 -1.25 -0.48 117.98 113.32 1x4y s PHE 89 Ca 0.45 -0.21 -0.22 0.00 -1.04 0.00 0.00 56.93 55.90 1x4y s PHE 89 Cb -0.10 0.13 0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1x4y s PHE 89 CO 0.35 -0.60 0.78 0.54 -1.34 0.00 0.00 175.22 174.95 1x4y s ASN 90 N -2.61 -0.25 0.36 1.98 4.22 -1.24 -1.92 114.94 115.47 1x4y s ASN 90 Ca 0.01 -0.52 0.22 0.00 -2.14 0.00 0.00 52.86 50.43 1x4y s ASN 90 Cb 0.02 0.66 1.27 0.00 1.28 0.00 0.00 41.25 44.48 1x4y s ASN 90 CO -0.09 -1.21 1.45 1.21 -2.04 0.00 0.00 177.10 176.41 1x4y n GLU 91 N -0.46 -0.05 -0.08 3.55 2.13 -1.26 0.11 120.64 124.59 1x4y n GLU 91 Ca -0.05 1.24 -0.10 0.00 0.66 0.00 0.00 57.16 58.90 1x4y n GLU 91 Cb 0.60 -2.27 -0.03 0.00 0.27 0.00 0.00 31.44 30.00 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 0.40 0.00 8.31 0.00 -1.91 -3.49 103.07 106.38 1x4y h GLY 92 Ca 0.79 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1x4y h GLY 92 CO -0.64 0.21 0.00 0.61 0.00 0.00 0.00 176.54 176.72 1x4y n GLY 93 N -0.71 3.79 3.57 4.60 0.00 0.31 -4.53 105.19 112.21 1x4y n GLY 93 Ca -0.03 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.49 0.98 -2.12 1.61 1.02 -1.26 -3.62 120.64 115.76 1x4y n GLU 94 Ca 0.00 0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 57.34 1x4y n GLU 94 Cb 0.00 -1.96 0.08 0.00 -0.02 0.00 0.00 31.44 29.53 1x4y n GLU 94 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x4y n SER 95 N 0.20 1.11 -4.68 1.62 2.88 0.36 -4.85 113.62 110.27 1x4y n SER 95 Ca 0.11 -1.90 -0.30 0.00 -1.33 0.00 0.00 58.87 55.45 1x4y n SER 95 Cb 0.43 -0.43 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 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 -4.23 1.07 -0.18 -1.46 0.41 -1.22 -4.78 118.70 108.31 1x4y s GLU 96 Ca 0.47 1.22 -0.29 0.00 -0.41 0.00 0.00 54.97 55.96 1x4y s GLU 96 Cb -0.03 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.56 1x4y s GLU 96 CO 0.31 -2.49 1.01 -0.06 -0.49 0.00 0.00 175.26 173.54 1x4y s PHE 97 N -2.74 3.41 1.42 1.61 0.40 -1.26 -4.57 117.98 116.26 1x4y s PHE 97 Ca 0.65 1.49 -0.22 0.00 -0.60 0.00 0.00 56.93 58.25 1x4y s PHE 97 Cb -0.21 -3.22 0.37 0.00 0.51 0.00 0.00 43.02 40.47 1x4y s PHE 97 CO 0.58 -0.37 0.92 -1.54 0.70 0.00 0.00 175.22 175.51 1x4y s SER 98 N 1.16 -1.12 1.13 1.36 1.04 -0.66 -4.99 113.70 111.62 1x4y s SER 98 Ca 0.45 0.96 -0.16 0.00 0.48 0.00 0.00 55.95 57.68 1x4y s SER 98 Cb -0.16 -1.39 0.25 0.00 0.10 0.00 0.00 66.02 64.82 1x4y s SER 98 CO 0.11 -5.41 1.09 0.54 0.98 0.00 0.00 173.24 170.54 1x4y s ASN 99 N -2.97 1.54 -0.29 7.02 4.22 -1.26 -4.76 114.94 118.43 1x4y s ASN 99 Ca 0.68 0.94 -0.06 0.00 -2.14 0.00 0.00 52.86 52.28 1x4y s ASN 99 Cb -0.15 -1.42 0.01 0.00 1.28 0.00 0.00 41.25 40.97 1x4y s ASN 99 CO 0.59 -3.78 0.07 -0.69 -2.04 0.00 0.00 177.10 171.26 1x4y s VAL 100 N -2.91 3.89 -0.19 3.54 1.01 -1.26 -4.49 120.40 119.98 1x4y s VAL 100 Ca 0.68 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1x4y s VAL 100 Cb -0.15 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1x4y s VAL 100 CO 0.57 0.07 -0.06 -0.04 0.00 0.00 0.00 175.10 175.65 1x4y s MET 101 N 1.48 3.44 -0.58 2.72 -1.94 0.44 -4.88 119.30 119.98 1x4y s MET 101 Ca 0.02 -0.61 -0.18 0.00 -1.71 0.00 0.00 55.69 53.21 1x4y s MET 101 Cb -0.17 -2.92 0.11 0.00 2.01 0.00 0.00 34.83 33.86 1x4y s MET 101 CO 0.02 -0.02 0.65 0.42 -0.01 0.00 0.00 175.02 176.08 1x4y s ILE 102 N 1.02 4.92 -0.35 2.53 1.01 -1.26 -0.45 121.20 128.61 1x4y s ILE 102 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 1x4y s ILE 102 Cb -0.15 -4.45 0.02 0.00 0.01 0.00 0.00 42.46 37.90 1x4y s ILE 102 CO 0.00 -1.05 0.18 0.00 0.00 0.00 0.00 174.94 174.07 1x4y s GLU 104 N 1.56 4.36 1.24 0.00 2.12 -1.26 -4.38 118.70 122.34 1x4y s GLU 104 Ca 0.02 1.55 -0.19 0.00 0.36 0.00 0.00 54.97 56.72 1x4y s GLU 104 Cb -0.19 -3.58 0.30 0.00 0.26 0.00 0.00 34.13 30.93 1x4y s GLU 104 CO 0.06 -0.44 1.04 0.95 -0.54 0.00 0.00 175.26 176.33 1x4y s THR 105 N 2.36 1.59 0.45 -1.70 -4.23 -1.25 -4.54 115.64 108.31 1x4y s THR 105 Ca 0.52 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.89 1x4y s THR 105 Cb -0.21 -2.30 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 1x4y s THR 105 CO 0.18 0.00 0.88 -0.54 -0.54 0.00 0.00 174.62 174.60 1x4y s LYS 106 N -5.10 3.91 0.05 3.99 -0.14 -1.00 -3.90 119.74 117.55 1x4y s LYS 106 Ca 0.69 0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 55.76 1x4y s LYS 106 Cb -0.14 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1x4y s LYS 106 CO 0.58 -0.13 0.96 0.00 -0.76 0.00 0.00 175.35 176.00 1x4y s ALA 107 N -2.44 3.21 0.13 5.17 0.00 -1.26 -0.25 121.76 126.32 1x4y s ALA 107 Ca 0.56 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 1x4y s ALA 107 Cb -0.10 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1x4y s ALA 107 CO 0.29 -0.12 1.39 -0.98 0.00 0.00 0.00 175.76 176.33 1x4y s ARG 108 N 0.50 4.32 -0.13 0.00 1.70 -1.26 -4.87 118.95 119.21 1x4y s ARG 108 Ca 0.49 2.09 0.03 0.00 -0.47 0.00 0.00 55.73 57.87 1x4y s ARG 108 Cb -0.22 -3.23 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 1x4y s ARG 108 CO 0.29 -0.42 -0.21 0.45 -1.08 0.00 0.00 175.30 174.32 1x4y s SER 109 N 0.99 3.24 0.00 -2.89 0.15 -1.26 -5.04 113.70 108.89 1x4y s SER 109 Ca 0.64 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1x4y s SER 109 Cb -0.37 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1x4y s SER 109 CO 0.32 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.48 1x4y n GLY 110 N 3.85 1.03 0.06 9.45 0.00 -1.26 -4.88 105.19 113.45 1x4y n GLY 110 Ca -0.19 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 1x4y n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4y h PRO 111 N 0.00 0.04 -6.07 1.61 0.13 -2.07 -3.44 132.00 122.21 1x4y h PRO 111 Ca 0.00 -0.02 -0.77 0.00 -0.87 0.00 0.00 66.00 64.34 1x4y h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x4y h PRO 111 CO 0.00 0.52 0.96 0.43 -0.23 0.00 0.00 178.00 179.68 1x4y n SER 112 N -4.82 1.86 -3.89 1.44 7.64 -1.26 -4.93 113.62 109.65 1x4y n SER 112 Ca -0.08 0.98 -0.11 0.00 1.01 0.00 0.00 58.87 60.67 1x4y n SER 112 Cb 0.26 -1.06 -0.12 0.00 -1.01 0.00 0.00 64.21 62.28 1x4y n SER 112 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4y s SER 113 N 4.16 0.03 0.00 6.43 0.01 -1.26 -5.03 113.70 118.05 1x4y s SER 113 Ca 1.04 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1x4y s SER 113 Cb -1.21 0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.13 1x4y s SER 113 CO 0.68 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.81