#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 3.09 -0.13 1.61 0.01 -1.26 -5.07 113.70 111.95 1x4y s SER 2 Ca 0.00 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.26 1x4y s SER 2 Cb 0.00 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1x4y s SER 2 CO 0.00 0.04 -0.25 -1.20 0.41 0.00 0.00 173.24 172.23 1x4y n SER 3 N 0.19 1.64 0.00 2.44 7.64 -1.26 -4.76 113.62 119.51 1x4y n SER 3 Ca -0.12 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1x4y n SER 3 Cb 0.57 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1x4y n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4y n GLY 4 N 1.96 -2.38 3.76 0.23 0.00 -1.26 -4.33 105.19 103.18 1x4y n GLY 4 Ca -0.17 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.96 6.50 0.20 1.61 1.04 -1.26 -5.01 113.70 113.81 1x4y s SER 5 Ca 0.00 2.87 0.05 0.00 0.48 0.00 0.00 55.95 59.36 1x4y s SER 5 Cb 0.00 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 1x4y s SER 5 CO 0.00 -0.78 0.20 -0.94 0.98 0.00 0.00 173.24 172.71 1x4y s SER 6 N 0.02 5.75 0.34 7.02 1.04 -1.26 -4.94 113.70 121.67 1x4y s SER 6 Ca 0.56 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1x4y s SER 6 Cb -0.44 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1x4y s SER 6 CO 0.54 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.38 1x4y n GLY 7 N -0.75 -1.54 3.73 7.32 0.00 -1.26 -4.70 105.19 107.99 1x4y n GLY 7 Ca -0.08 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.85 4.37 -0.00 1.61 0.04 -1.26 -4.92 135.00 132.98 1x4y s PRO 8 Ca 0.00 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x4y s PRO 8 Cb 0.00 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1x4y s PRO 8 CO 0.00 -0.33 -0.00 1.33 0.04 0.00 0.00 177.00 178.04 1x4y n VAL 9 N 3.25 0.01 -0.43 -0.36 0.24 -1.26 -3.26 118.33 116.53 1x4y n VAL 9 Ca 0.08 -0.00 0.38 0.00 -2.04 0.00 0.00 64.34 62.76 1x4y n VAL 9 Cb 0.43 -0.86 0.64 0.00 -1.47 0.00 0.00 33.84 32.59 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 -2.68 1.26 -1.49 2.33 0.00 -1.26 -2.62 120.51 116.04 1x4y n ALA 10 Ca -0.00 0.88 0.09 0.00 0.00 0.00 0.00 53.44 54.40 1x4y n ALA 10 Cb 0.50 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.45 -3.50 3.77 0.00 0.00 -1.26 -4.86 105.19 97.89 1x4y n GLY 11 Ca 0.39 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.87 2.57 -0.21 1.61 0.04 -1.26 -4.86 135.00 128.01 1x4y s PRO 12 Ca 0.00 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1x4y s PRO 12 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.66 1x4y s PRO 12 CO 0.00 -1.42 -0.08 -0.47 0.04 0.00 0.00 177.00 175.07 1x4y s TYR 13 N -2.58 2.44 -0.03 0.56 5.04 -0.94 -4.61 117.35 117.23 1x4y s TYR 13 Ca 0.64 -1.68 -0.30 0.00 -2.44 0.00 0.00 57.07 53.29 1x4y s TYR 13 Cb -0.19 -1.63 -0.06 0.00 0.35 0.00 0.00 41.96 40.43 1x4y s TYR 13 CO 0.48 -0.76 1.75 0.42 -1.34 0.00 0.00 175.55 176.10 1x4y s ILE 14 N 1.38 3.42 -0.07 3.14 1.01 -1.26 -1.21 121.20 127.60 1x4y s ILE 14 Ca -0.03 0.50 0.11 0.00 0.00 0.00 0.00 60.65 61.23 1x4y s ILE 14 Cb -0.17 -3.33 0.17 0.00 0.01 0.00 0.00 42.46 39.14 1x4y s ILE 14 CO -0.07 -0.05 1.06 0.35 0.00 0.00 0.00 174.94 176.23 1x4y n THR 15 N 5.54 1.30 -3.59 2.92 -2.24 -0.83 -4.96 114.28 112.42 1x4y n THR 15 Ca 0.18 -1.52 -0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1x4y n THR 15 Cb 0.42 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.87 -1.34 -0.15 4.78 2.19 -1.13 -4.97 117.98 115.48 1x4y s PHE 16 Ca 0.18 2.23 -0.04 0.00 0.33 0.00 0.00 56.93 59.63 1x4y s PHE 16 Cb 0.16 0.77 0.07 0.00 -1.31 0.00 0.00 43.02 42.71 1x4y s PHE 16 CO 0.02 -0.67 0.14 0.95 1.83 0.00 0.00 175.22 177.48 1x4y s THR 17 N 2.88 -0.20 -0.07 0.12 -4.23 -1.26 -0.86 115.64 112.02 1x4y s THR 17 Ca -0.03 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 1x4y s THR 17 Cb -0.12 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.23 1x4y s THR 17 CO -0.19 -0.14 0.19 -1.81 -0.54 0.00 0.00 174.62 172.13 1x4y s ASP 18 N 2.23 -0.19 -0.28 3.99 1.01 -0.49 -4.97 116.67 117.97 1x4y s ASP 18 Ca 0.04 0.39 -0.29 0.00 0.71 0.00 0.00 52.55 53.40 1x4y s ASP 18 Cb -0.15 0.37 0.01 0.00 1.01 0.00 0.00 42.92 44.16 1x4y s ASP 18 CO -0.09 -0.08 1.13 0.00 0.21 0.00 0.00 175.17 176.34 1x4y s ALA 19 N 0.32 3.54 0.05 5.23 0.00 -1.26 -0.50 121.76 129.13 1x4y s ALA 19 Ca -0.02 0.09 0.19 0.00 0.00 0.00 0.00 51.96 52.22 1x4y s ALA 19 Cb -0.03 -3.66 0.52 0.00 0.00 0.00 0.00 23.12 19.95 1x4y s ALA 19 CO -0.01 -1.40 1.66 0.28 0.00 0.00 0.00 175.76 176.28 1x4y h VAL 20 N 5.68 0.80 -2.31 0.00 2.07 -1.74 -3.47 116.25 117.28 1x4y h VAL 20 Ca -0.22 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.67 1x4y h VAL 20 Cb 1.07 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1x4y h VAL 20 CO 1.01 0.38 0.24 0.59 0.02 0.00 0.00 177.57 179.81 1x4y n ASN 21 N -3.39 -1.09 0.27 0.57 3.02 -0.83 -4.92 115.26 108.89 1x4y n ASN 21 Ca 0.01 -1.67 0.16 0.00 -0.03 0.00 0.00 54.58 53.05 1x4y n ASN 21 Cb 0.57 1.80 0.66 0.00 -0.61 0.00 0.00 39.78 42.20 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 -1.89 -2.65 114.58 122.65 1x4y h GLU 22 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.25 1x4y h GLU 22 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1x4y h GLU 22 CO 0.21 0.03 -0.12 0.25 0.05 0.00 0.00 179.01 179.43 1x4y n THR 23 N -3.14 0.85 -4.06 -1.06 -2.24 -1.26 -2.78 114.28 100.60 1x4y n THR 23 Ca 0.00 -0.97 -0.12 0.00 -2.27 0.00 0.00 64.05 60.69 1x4y n THR 23 Cb 0.32 0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.17 0.50 -0.13 4.28 2.01 -1.16 -2.42 115.64 117.55 1x4y s THR 24 Ca 0.10 -1.13 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 1x4y s THR 24 Cb 0.09 -0.66 0.05 0.00 0.01 0.00 0.00 72.50 71.99 1x4y s THR 24 CO 0.01 -0.44 0.31 -0.63 -0.69 0.00 0.00 174.62 173.18 1x4y s ILE 25 N -1.59 -0.03 -0.17 1.82 1.01 -0.80 -1.96 121.20 119.48 1x4y s ILE 25 Ca -0.09 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 1x4y s ILE 25 Cb -0.09 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1x4y s ILE 25 CO -0.00 0.05 -0.02 -0.32 0.00 0.00 0.00 174.94 174.65 1x4y s MET 26 N 1.31 3.69 0.02 2.79 -2.45 0.34 -0.02 119.30 124.99 1x4y s MET 26 Ca -0.09 -0.50 0.03 0.00 -1.25 0.00 0.00 55.69 53.87 1x4y s MET 26 Cb -0.10 -2.99 -0.02 0.00 1.25 0.00 0.00 34.83 32.98 1x4y s MET 26 CO -0.10 0.19 -0.08 -0.48 1.05 0.00 0.00 175.02 175.60 1x4y s LEU 27 N 0.52 2.15 0.01 4.11 2.34 -1.09 -1.39 118.68 125.33 1x4y s LEU 27 Ca -0.02 -0.37 0.06 0.00 0.06 0.00 0.00 54.13 53.86 1x4y s LEU 27 Cb -0.14 -0.29 -0.02 0.00 -0.56 0.00 0.00 46.19 45.18 1x4y s LEU 27 CO 0.02 -0.06 -0.18 -0.54 -1.06 0.00 0.00 176.35 174.54 1x4y s LYS 28 N -0.96 1.31 0.18 1.48 1.02 -0.04 -2.63 119.74 120.10 1x4y s LYS 28 Ca -0.03 -0.73 0.11 0.00 0.02 0.00 0.00 55.97 55.33 1x4y s LYS 28 Cb -0.07 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 1x4y s LYS 28 CO 0.00 0.35 -0.23 1.67 -0.92 0.00 0.00 175.35 176.23 1x4y s TRP 29 N -0.60 2.18 0.08 3.18 -2.14 -0.99 -1.97 118.94 118.68 1x4y s TRP 29 Ca 0.06 -0.38 0.06 0.00 2.66 0.00 0.00 56.10 58.49 1x4y s TRP 29 Cb -0.07 -1.08 -0.04 0.00 -3.10 0.00 0.00 33.47 29.18 1x4y s TRP 29 CO 0.00 0.45 -0.08 0.00 -2.66 0.00 0.00 176.95 174.67 1x4y s MET 30 N -2.68 2.29 -0.14 3.25 0.23 -0.35 -4.87 119.30 117.03 1x4y s MET 30 Ca 0.19 -0.93 -0.00 0.00 -1.03 0.00 0.00 55.69 53.92 1x4y s MET 30 Cb -0.07 -2.38 -0.01 0.00 -1.53 0.00 0.00 34.83 30.83 1x4y s MET 30 CO 0.09 0.53 -0.13 -0.47 -2.03 0.00 0.00 175.02 173.02 1x4y s TYR 31 N -1.18 2.82 -0.48 3.16 5.04 -1.26 -2.21 117.35 123.24 1x4y s TYR 31 Ca 0.21 -0.73 -0.11 0.00 -2.44 0.00 0.00 57.07 54.00 1x4y s TYR 31 Cb -0.11 -1.87 0.11 0.00 0.35 0.00 0.00 41.96 40.44 1x4y s TYR 31 CO 0.13 -0.28 0.37 0.42 -1.34 0.00 0.00 175.55 174.85 1x4y s ILE 32 N 0.51 4.48 -0.72 3.14 1.09 -1.26 -4.92 121.20 123.52 1x4y s ILE 32 Ca -0.09 -1.63 0.19 0.00 -1.10 0.00 0.00 60.65 58.03 1x4y s ILE 32 Cb -0.16 -3.88 0.19 0.00 -1.06 0.00 0.00 42.46 37.55 1x4y s ILE 32 CO 0.04 -0.74 1.59 -0.81 -0.10 0.00 0.00 174.94 174.92 1x4y n PRO 33 N 5.00 0.11 0.16 2.79 -0.04 -1.26 -3.69 135.00 138.07 1x4y n PRO 33 Ca -0.10 0.35 -0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1x4y n PRO 33 Cb 0.41 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 1x4y n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4y h ALA 34 N 2.37 -1.06 -0.49 0.55 0.00 -2.06 -3.02 119.26 115.55 1x4y h ALA 34 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1x4y h ALA 34 Cb 0.31 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.20 1x4y h ALA 34 CO 0.00 -1.04 0.42 0.45 0.00 0.00 0.00 179.25 179.08 1x4y n SER 35 N -3.29 6.30 -4.66 0.00 2.88 -1.24 -4.90 113.62 108.71 1x4y n SER 35 Ca -0.05 -3.06 -0.27 0.00 -1.33 0.00 0.00 58.87 54.15 1x4y n SER 35 Cb 0.18 -1.03 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 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 0.12 4.77 -0.30 -3.46 2.47 -1.14 -4.64 114.94 112.76 1x4y s ASN 36 Ca 0.31 -0.37 0.01 0.00 0.42 0.00 0.00 52.86 53.23 1x4y s ASN 36 Cb 0.25 -1.02 0.35 0.00 -1.45 0.00 0.00 41.25 39.37 1x4y s ASN 36 CO -0.00 0.11 1.68 0.59 -3.72 0.00 0.00 177.10 175.76 1x4y n ASN 37 N 0.02 4.46 -4.09 -4.21 3.02 -1.26 -4.82 115.26 108.37 1x4y n ASN 37 Ca -0.10 -3.02 -0.35 0.00 -0.03 0.00 0.00 54.58 51.08 1x4y n ASN 37 Cb 0.55 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 1x4y n ASN 37 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1x4y n ASN 38 N -0.28 -1.24 -4.73 6.41 5.15 -1.26 -4.88 115.26 114.43 1x4y n ASN 38 Ca 0.35 -1.07 -0.35 0.00 -0.60 0.00 0.00 54.58 52.91 1x4y n ASN 38 Cb 1.00 -1.36 -0.09 0.00 -0.53 0.00 0.00 39.78 38.80 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1x4y s THR 39 N -3.09 4.57 0.14 -0.44 -1.32 -1.26 -5.08 115.64 109.15 1x4y s THR 39 Ca 0.62 -0.19 -0.31 0.00 -1.21 0.00 0.00 61.69 60.61 1x4y s THR 39 Cb -0.36 -2.95 -0.08 0.00 -1.51 0.00 0.00 72.50 67.60 1x4y s THR 39 CO 0.88 0.58 1.34 -2.16 -2.21 0.00 0.00 174.62 173.04 1x4y s PRO 40 N -1.00 4.36 -0.10 7.08 0.04 -1.26 -5.00 135.00 139.11 1x4y s PRO 40 Ca 0.15 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1x4y s PRO 40 Cb -0.11 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1x4y s PRO 40 CO 0.04 -0.34 0.28 0.42 0.04 0.00 0.00 177.00 177.43 1x4y s ILE 41 N 0.69 5.28 0.13 0.56 1.01 -1.26 -4.55 121.20 123.06 1x4y s ILE 41 Ca 0.61 0.52 -0.13 0.00 0.00 0.00 0.00 60.65 61.65 1x4y s ILE 41 Cb -0.36 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1x4y s ILE 41 CO 0.33 0.52 1.55 0.45 0.00 0.00 0.00 174.94 177.79 1x4y h HIS 42 N 5.55 0.89 0.00 3.97 3.86 -1.70 -3.44 115.15 124.28 1x4y h HIS 42 Ca -0.49 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.54 1x4y h HIS 42 Cb 1.20 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1x4y h HIS 42 CO 0.68 0.90 0.00 0.41 0.86 0.00 0.00 177.93 180.79 1x4y n GLY 43 N -0.23 1.64 2.92 2.45 0.00 -1.23 -3.86 105.19 106.88 1x4y n GLY 43 Ca -0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.41 -0.28 -0.06 1.61 0.08 0.86 -4.13 117.98 115.65 1x4y s PHE 44 Ca 0.00 0.76 -0.10 0.00 0.12 0.00 0.00 56.93 57.71 1x4y s PHE 44 Cb 0.00 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.25 1x4y s PHE 44 CO 0.00 -0.30 0.25 0.71 -0.10 0.00 0.00 175.22 175.78 1x4y s TYR 45 N 2.28 3.64 -0.09 0.36 2.02 0.15 0.95 117.35 126.66 1x4y s TYR 45 Ca 0.02 0.70 0.01 0.00 -0.37 0.00 0.00 57.07 57.43 1x4y s TYR 45 Cb -0.12 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1x4y s TYR 45 CO -0.07 0.69 -0.11 0.42 -1.57 0.00 0.00 175.55 174.91 1x4y s ILE 46 N -1.08 1.17 0.07 2.71 1.01 0.23 -0.26 121.20 125.04 1x4y s ILE 46 Ca 0.20 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1x4y s ILE 46 Cb -0.14 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1x4y s ILE 46 CO 0.09 0.37 -0.07 -0.31 0.00 0.00 0.00 174.94 175.02 1x4y s TYR 47 N 1.01 2.84 -0.09 3.97 1.51 0.03 0.16 117.35 126.77 1x4y s TYR 47 Ca -0.08 -0.09 -0.28 0.00 -1.01 0.00 0.00 57.07 55.61 1x4y s TYR 47 Cb -0.15 -1.51 0.07 0.00 -0.11 0.00 0.00 41.96 40.26 1x4y s TYR 47 CO -0.01 0.42 0.65 1.52 -1.11 0.00 0.00 175.55 177.02 1x4y s TYR 48 N -1.16 -0.64 -0.20 2.71 1.13 -1.25 -2.03 117.35 115.91 1x4y s TYR 48 Ca 0.21 1.21 -0.24 0.00 -1.41 0.00 0.00 57.07 56.84 1x4y s TYR 48 Cb -0.11 0.35 0.06 0.00 -1.10 0.00 0.00 41.96 41.16 1x4y s TYR 48 CO 0.13 -0.54 0.65 -0.98 -2.51 0.00 0.00 175.55 172.30 1x4y s ARG 49 N -0.86 0.83 0.48 -3.49 1.04 -1.24 -2.06 118.95 113.65 1x4y s ARG 49 Ca -0.09 0.74 -0.22 0.00 -1.04 0.00 0.00 55.73 55.12 1x4y s ARG 49 Cb -0.01 0.40 -0.07 0.00 -2.04 0.00 0.00 34.95 33.23 1x4y s ARG 49 CO 0.08 -0.15 1.15 -1.25 -0.04 0.00 0.00 175.30 175.09 1x4y s PRO 50 N -0.04 3.64 0.63 3.89 0.04 -1.26 -3.79 135.00 138.10 1x4y s PRO 50 Ca -0.03 1.72 0.34 0.00 0.04 0.00 0.00 61.00 63.08 1x4y s PRO 50 Cb -0.04 -2.28 1.91 0.00 0.04 0.00 0.00 34.50 34.13 1x4y s PRO 50 CO 0.03 -0.64 2.15 0.00 0.04 0.00 0.00 177.00 178.58 1x4y h THR 51 N 1.67 0.21 -0.02 1.26 1.03 -1.95 0.39 112.91 115.50 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 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.18 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 -3.35 0.31 -4.23 0.00 9.92 -1.26 -4.87 116.55 113.07 1x4y n ASP 52 Ca -0.01 -1.39 -0.29 0.00 -0.53 0.00 0.00 54.79 52.57 1x4y n ASP 52 Cb 0.25 -0.02 0.21 0.00 -0.64 0.00 0.00 41.12 40.92 1x4y n ASP 52 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1x4y s SER 53 N -1.67 1.75 0.04 -2.24 0.01 0.14 -5.04 113.70 106.68 1x4y s SER 53 Ca 0.33 0.87 -0.02 0.00 1.31 0.00 0.00 55.95 58.43 1x4y s SER 53 Cb 0.15 -1.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.08 1x4y s SER 53 CO 0.26 -3.64 -0.04 -0.67 0.41 0.00 0.00 173.24 169.56 1x4y n ASP 54 N -4.47 0.87 -3.43 2.44 2.03 -1.26 -5.06 116.55 107.67 1x4y n ASP 54 Ca 0.09 0.12 -0.21 0.00 0.52 0.00 0.00 54.79 55.31 1x4y n ASP 54 Cb 0.59 -0.30 -0.07 0.00 -0.72 0.00 0.00 41.12 40.61 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 -3.30 0.27 -0.09 1.67 0.23 -1.26 -4.99 115.26 107.79 1x4y n ASN 55 Ca -0.01 -3.06 0.24 0.00 -0.53 0.00 0.00 54.58 51.22 1x4y n ASN 55 Cb 0.05 1.28 0.53 0.00 -2.08 0.00 0.00 39.78 39.56 1x4y n ASN 55 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1x4y h ASP 56 N 1.74 0.00 0.00 0.53 3.32 -2.00 0.17 116.42 120.17 1x4y h ASP 56 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1x4y h ASP 56 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1x4y h ASP 56 CO 0.40 0.00 0.61 0.28 -1.72 0.00 0.00 179.24 178.81 1x4y h SER 57 N 0.00 0.00 0.04 6.45 0.02 -2.03 0.24 113.55 118.28 1x4y h SER 57 Ca 0.37 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.95 1x4y h SER 57 Cb 2.27 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.77 1x4y h SER 57 CO -0.00 0.00 -2.15 0.47 -1.14 0.00 0.00 176.83 174.01 1x4y n ASP 58 N -2.71 2.01 -4.66 3.07 8.00 0.58 -4.93 116.55 117.91 1x4y n ASP 58 Ca -0.01 0.14 -0.54 0.00 0.71 0.00 0.00 54.79 55.09 1x4y n ASP 58 Cb 0.64 -0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 1x4y n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1x4y n TYR 59 N -3.68 1.84 -2.96 1.24 4.01 0.85 -4.74 117.16 113.71 1x4y n TYR 59 Ca -0.41 0.54 -0.10 0.00 -0.16 0.00 0.00 57.90 57.78 1x4y n TYR 59 Cb 0.95 -2.42 0.04 0.00 -0.31 0.00 0.00 39.34 37.60 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 4.12 0.75 -3.58 -0.72 5.02 -0.88 -4.87 118.16 118.00 1x4y n LYS 60 Ca 0.22 -1.56 -0.15 0.00 -2.02 0.00 0.00 58.31 54.80 1x4y n LYS 60 Cb 0.17 -0.14 -0.13 0.00 -0.02 0.00 0.00 35.03 34.91 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 -3.37 0.18 -0.27 1.97 2.20 -1.24 -3.84 119.74 115.36 1x4y s LYS 61 Ca 0.31 0.55 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 1x4y s LYS 61 Cb -0.02 -0.45 0.05 0.00 -1.51 0.00 0.00 37.83 35.90 1x4y s LYS 61 CO 0.20 -0.44 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.18 1x4y s ASP 62 N 2.40 4.60 0.57 1.43 1.01 0.12 -4.85 116.67 121.96 1x4y s ASP 62 Ca 0.04 -1.29 -0.16 0.00 0.71 0.00 0.00 52.55 51.85 1x4y s ASP 62 Cb -0.13 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 1x4y s ASP 62 CO -0.10 -0.21 1.04 -0.32 0.21 0.00 0.00 175.17 175.79 1x4y s MET 63 N 1.19 3.49 -0.08 8.23 1.75 -1.25 -0.60 119.30 132.02 1x4y s MET 63 Ca -0.06 1.15 -0.08 0.00 -1.25 0.00 0.00 55.69 55.44 1x4y s MET 63 Cb -0.20 -2.06 0.02 0.00 2.84 0.00 0.00 34.83 35.44 1x4y s MET 63 CO -0.03 -0.67 0.23 0.08 -0.65 0.00 0.00 175.02 173.98 1x4y s VAL 64 N -2.48 0.01 0.29 10.11 1.01 0.27 -4.90 120.40 124.71 1x4y s VAL 64 Ca 0.63 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 1x4y s VAL 64 Cb -0.15 -0.36 -0.16 0.00 0.00 0.00 0.00 36.38 35.72 1x4y s VAL 64 CO 0.35 -0.05 0.29 -0.62 0.00 0.00 0.00 175.10 175.07 1x4y n GLU 65 N 2.71 0.00 0.25 2.72 -0.58 -1.26 -0.10 120.64 124.38 1x4y n GLU 65 Ca -0.14 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.70 1x4y n GLU 65 Cb 0.58 -0.96 0.65 0.00 -0.57 0.00 0.00 31.44 31.15 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 0.63 0.00 1.39 0.62 0.00 -1.84 -1.84 103.07 102.04 1x4y h GLY 66 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1x4y h GLY 66 CO 0.50 0.00 -0.60 1.29 0.00 0.00 0.00 176.54 177.72 1x4y h ASP 67 N 0.00 0.00 -3.43 0.19 2.03 -1.92 -3.46 116.42 109.84 1x4y h ASP 67 Ca -0.00 -0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 1x4y h ASP 67 Cb 0.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1x4y h ASP 67 CO 0.02 0.00 0.41 -0.60 -1.03 0.00 0.00 179.24 178.04 1x4y s ARG 68 N -3.30 4.58 -0.04 4.15 6.06 -0.69 -4.93 118.95 124.78 1x4y s ARG 68 Ca 0.03 1.52 0.09 0.00 -2.50 0.00 0.00 55.73 54.87 1x4y s ARG 68 Cb 0.08 -3.40 0.25 0.00 0.06 0.00 0.00 34.95 31.94 1x4y s ARG 68 CO 0.74 -0.01 1.20 0.66 -2.50 0.00 0.00 175.30 175.39 1x4y n TYR 69 N 3.46 0.36 -3.89 5.12 4.02 -1.26 -4.76 117.16 120.20 1x4y n TYR 69 Ca 0.05 -0.60 -0.10 0.00 -0.01 0.00 0.00 57.90 57.24 1x4y n TYR 69 Cb 0.49 -0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.63 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 -1.45 0.11 -0.22 -0.72 1.48 -1.26 -2.36 118.94 114.52 1x4y s TRP 70 Ca 0.20 -0.29 -0.16 0.00 -1.06 0.00 0.00 56.10 54.79 1x4y s TRP 70 Cb 0.13 -0.09 0.06 0.00 -1.16 0.00 0.00 33.47 32.42 1x4y s TRP 70 CO 0.09 -0.32 0.55 -1.58 -4.06 0.00 0.00 176.95 171.63 1x4y s HIS 71 N -1.89 -0.72 -0.36 1.66 2.46 -1.08 -5.01 115.29 110.35 1x4y s HIS 71 Ca -0.11 1.60 -0.10 0.00 0.47 0.00 0.00 55.06 56.92 1x4y s HIS 71 Cb -0.05 0.33 0.03 0.00 -0.13 0.00 0.00 32.58 32.75 1x4y s HIS 71 CO -0.01 -0.37 0.19 -1.54 -2.47 0.00 0.00 174.74 170.54 1x4y s SER 72 N 0.92 5.65 0.59 9.88 1.04 -1.26 -2.68 113.70 127.84 1x4y s SER 72 Ca -0.05 -0.96 -0.15 0.00 0.48 0.00 0.00 55.95 55.27 1x4y s SER 72 Cb -0.05 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 1x4y s SER 72 CO -0.08 -0.36 1.04 -0.63 0.98 0.00 0.00 173.24 174.20 1x4y s ILE 73 N 1.54 3.98 0.30 -1.02 1.01 0.97 -4.85 121.20 123.14 1x4y s ILE 73 Ca 0.02 0.89 0.03 0.00 0.00 0.00 0.00 60.65 61.59 1x4y s ILE 73 Cb -0.19 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1x4y s ILE 73 CO 0.06 -0.60 0.30 -0.44 0.00 0.00 0.00 174.94 174.26 1x4y s SER 74 N -3.00 1.15 -1.16 3.58 0.01 -1.26 -1.90 113.70 111.11 1x4y s SER 74 Ca 0.62 -1.60 -0.03 0.00 1.31 0.00 0.00 55.95 56.25 1x4y s SER 74 Cb -0.15 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1x4y s SER 74 CO 0.39 -1.07 0.99 1.41 0.41 0.00 0.00 173.24 175.37 1x4y n HIS 75 N -0.53 -2.27 -3.91 2.43 8.25 -1.02 -4.96 115.22 113.22 1x4y n HIS 75 Ca 0.05 0.89 -0.25 0.00 -0.26 0.00 0.00 57.72 58.15 1x4y n HIS 75 Cb 0.63 -4.80 -0.03 0.00 1.12 0.00 0.00 29.99 26.91 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 -6.32 2.90 0.06 2.41 1.43 -1.14 -5.08 118.68 112.94 1x4y s LEU 76 Ca 0.21 -1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.05 1x4y s LEU 76 Cb -0.09 -1.39 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 1x4y s LEU 76 CO 0.67 -0.90 0.43 -1.10 0.23 0.00 0.00 176.35 175.68 1x4y s GLN 77 N -4.16 3.86 0.57 1.70 -0.21 -1.26 -4.55 119.66 115.61 1x4y s GLN 77 Ca 0.37 0.33 -0.18 0.00 0.02 0.00 0.00 55.36 55.90 1x4y s GLN 77 Cb -0.01 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 1x4y s GLN 77 CO 0.22 0.61 1.12 -1.25 -2.12 0.00 0.00 175.29 173.87 1x4y s PRO 78 N -1.55 3.20 -1.25 2.91 0.04 -1.12 -3.37 135.00 133.86 1x4y s PRO 78 Ca 0.30 1.55 -0.16 0.00 0.04 0.00 0.00 61.00 62.73 1x4y s PRO 78 Cb -0.15 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.56 1x4y s PRO 78 CO 0.16 -0.96 0.40 -0.85 0.04 0.00 0.00 177.00 175.79 1x4y n GLU 79 N -1.60 -0.91 -3.77 4.56 0.28 0.25 -4.84 120.64 114.60 1x4y n GLU 79 Ca 0.11 0.09 -0.37 0.00 -0.16 0.00 0.00 57.16 56.83 1x4y n GLU 79 Cb 0.51 -3.37 -0.13 0.00 1.43 0.00 0.00 31.44 29.89 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 -2.52 3.71 -0.53 3.84 2.01 -1.22 -4.87 115.64 116.07 1x4y s THR 80 Ca 0.56 -1.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 1x4y s THR 80 Cb -0.32 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.14 1x4y s THR 80 CO 0.68 -0.13 1.08 -0.55 -0.69 0.00 0.00 174.62 175.02 1x4y s SER 81 N 1.40 6.49 0.11 3.53 0.15 -1.26 -3.58 113.70 120.54 1x4y s SER 81 Ca -0.01 0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.79 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 0.02 -1.30 -0.08 -0.72 1.20 0.00 0.00 173.24 172.36 1x4y s TYR 82 N 4.42 1.01 0.55 3.44 -0.85 -1.26 -4.32 117.35 120.34 1x4y s TYR 82 Ca 0.41 -0.78 -0.17 0.00 -0.52 0.00 0.00 57.07 56.00 1x4y s TYR 82 Cb -0.09 -0.55 -0.05 0.00 0.38 0.00 0.00 41.96 41.64 1x4y s TYR 82 CO 0.26 -0.05 1.05 0.16 -1.52 0.00 0.00 175.55 175.45 1x4y s ASP 83 N -2.82 6.02 -0.17 -0.18 -4.77 -1.25 -3.43 116.67 110.08 1x4y s ASP 83 Ca 0.10 1.84 -0.04 0.00 -3.30 0.00 0.00 52.55 51.14 1x4y s ASP 83 Cb 0.02 -2.54 0.08 0.00 -1.09 0.00 0.00 42.92 39.39 1x4y s ASP 83 CO -0.02 -1.00 0.23 -0.63 0.70 0.00 0.00 175.17 174.45 1x4y s ILE 84 N -2.31 -0.35 0.42 2.11 1.01 0.13 -3.71 121.20 118.49 1x4y s ILE 84 Ca 0.64 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.39 1x4y s ILE 84 Cb -0.16 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 1x4y s ILE 84 CO 0.31 -0.06 0.09 -1.59 0.00 0.00 0.00 174.94 173.69 1x4y s LYS 85 N 2.36 1.95 0.30 2.79 -2.85 -0.86 -1.52 119.74 121.91 1x4y s LYS 85 Ca 0.05 -2.19 -0.17 0.00 -1.00 0.00 0.00 55.97 52.66 1x4y s LYS 85 Cb -0.14 -0.85 0.02 0.00 -2.06 0.00 0.00 37.83 34.80 1x4y s LYS 85 CO -0.10 -0.41 0.68 0.00 0.10 0.00 0.00 175.35 175.61 1x4y s MET 86 N -3.77 1.85 -0.15 1.78 0.23 -1.26 -0.79 119.30 117.20 1x4y s MET 86 Ca 0.22 -1.18 -0.29 0.00 -1.03 0.00 0.00 55.69 53.41 1x4y s MET 86 Cb 0.03 0.58 0.08 0.00 -1.53 0.00 0.00 34.83 33.99 1x4y s MET 86 CO 0.12 -0.84 0.76 -1.14 -2.03 0.00 0.00 175.02 171.90 1x4y s GLN 87 N -3.53 0.90 0.35 3.16 -0.44 0.64 -1.32 119.66 119.42 1x4y s GLN 87 Ca 0.15 0.49 0.05 0.00 -2.50 0.00 0.00 55.36 53.55 1x4y s GLN 87 Cb -0.04 0.43 -0.01 0.00 -1.64 0.00 0.00 33.01 31.74 1x4y s GLN 87 CO 0.09 -0.22 0.50 0.00 0.50 0.00 0.00 175.29 176.16 1x4y s PHE 89 N -2.24 -0.32 0.28 0.00 -0.71 -1.26 -0.22 117.98 113.52 1x4y s PHE 89 Ca 0.44 0.03 -0.20 0.00 -1.04 0.00 0.00 56.93 56.16 1x4y s PHE 89 Cb -0.10 0.40 0.02 0.00 -1.21 0.00 0.00 43.02 42.13 1x4y s PHE 89 CO 0.32 -0.80 0.69 0.54 -1.34 0.00 0.00 175.22 174.64 1x4y s ASN 90 N -2.80 -0.24 0.45 1.98 4.22 -1.25 -1.78 114.94 115.52 1x4y s ASN 90 Ca 0.03 -0.64 0.38 0.00 -2.14 0.00 0.00 52.86 50.49 1x4y s ASN 90 Cb 0.00 0.71 1.46 0.00 1.28 0.00 0.00 41.25 44.71 1x4y s ASN 90 CO -0.11 -1.32 1.41 1.21 -2.04 0.00 0.00 177.10 176.25 1x4y n GLU 91 N -0.45 -0.02 0.11 3.55 2.13 -1.26 0.51 120.64 125.21 1x4y n GLU 91 Ca -0.04 1.06 -0.13 0.00 0.66 0.00 0.00 57.16 58.71 1x4y n GLU 91 Cb 0.59 -2.25 -0.08 0.00 0.27 0.00 0.00 31.44 29.97 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 -0.32 0.00 8.31 0.00 -1.95 -3.49 103.07 105.62 1x4y h GLY 92 Ca 0.82 0.12 0.00 0.00 0.00 0.00 0.00 47.33 48.27 1x4y h GLY 92 CO -0.21 -0.12 0.00 0.61 0.00 0.00 0.00 176.54 176.82 1x4y n GLY 93 N -0.05 3.72 3.37 4.60 0.00 0.18 -4.60 105.19 112.41 1x4y n GLY 93 Ca -0.09 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.05 0.22 -1.93 1.61 1.02 -1.26 -3.93 120.64 115.30 1x4y n GLU 94 Ca 0.00 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 1x4y n GLU 94 Cb 0.00 -1.55 0.04 0.00 -0.02 0.00 0.00 31.44 29.91 1x4y n GLU 94 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1x4y n SER 95 N 0.78 1.01 -4.21 1.62 3.41 0.70 -4.77 113.62 112.16 1x4y n SER 95 Ca 0.08 -1.75 -0.29 0.00 -0.26 0.00 0.00 58.87 56.65 1x4y n SER 95 Cb 0.50 -0.25 0.26 0.00 -0.26 0.00 0.00 64.21 64.45 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 -3.48 -1.41 -0.35 4.33 2.02 -1.08 -4.80 118.70 113.94 1x4y s GLU 96 Ca 0.32 0.55 -0.23 0.00 0.02 0.00 0.00 54.97 55.64 1x4y s GLU 96 Cb -0.02 -1.52 0.01 0.00 0.10 0.00 0.00 34.13 32.69 1x4y s GLU 96 CO 0.21 -3.97 0.76 -0.06 0.02 0.00 0.00 175.26 172.22 1x4y s PHE 97 N -2.49 3.14 1.05 1.61 0.40 -1.26 -4.60 117.98 115.83 1x4y s PHE 97 Ca 0.68 0.61 -0.15 0.00 -0.60 0.00 0.00 56.93 57.47 1x4y s PHE 97 Cb -0.21 -3.31 0.12 0.00 0.51 0.00 0.00 43.02 40.14 1x4y s PHE 97 CO 0.62 -0.67 0.45 0.45 0.70 0.00 0.00 175.22 176.78 1x4y n SER 98 N 6.30 -1.84 -4.07 1.36 2.88 -0.43 -4.96 113.62 112.85 1x4y n SER 98 Ca 0.03 0.08 -0.29 0.00 -1.33 0.00 0.00 58.87 57.35 1x4y n SER 98 Cb 0.48 -1.15 0.27 0.00 -0.75 0.00 0.00 64.21 63.06 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 -2.09 0.04 -0.24 -3.46 4.22 -1.26 -4.64 114.94 107.51 1x4y s ASN 99 Ca 0.60 1.24 -0.07 0.00 -2.14 0.00 0.00 52.86 52.49 1x4y s ASN 99 Cb -0.19 -1.88 -0.03 0.00 1.28 0.00 0.00 41.25 40.44 1x4y s ASN 99 CO 0.65 -4.74 0.05 -0.69 -2.04 0.00 0.00 177.10 170.34 1x4y s VAL 100 N -2.37 4.20 -0.20 3.54 1.01 -1.26 -4.44 120.40 120.87 1x4y s VAL 100 Ca 0.69 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1x4y s VAL 100 Cb -0.21 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1x4y s VAL 100 CO 0.62 0.36 -0.06 -0.04 0.00 0.00 0.00 175.10 175.98 1x4y s MET 101 N 1.49 3.39 -0.64 2.72 -1.94 -0.57 -4.91 119.30 118.85 1x4y s MET 101 Ca 0.06 -0.63 -0.20 0.00 -1.71 0.00 0.00 55.69 53.20 1x4y s MET 101 Cb -0.15 -2.93 0.10 0.00 2.01 0.00 0.00 34.83 33.86 1x4y s MET 101 CO 0.03 -0.10 0.82 0.42 -0.01 0.00 0.00 175.02 176.18 1x4y s ILE 102 N 1.20 4.66 -0.33 2.53 1.01 -1.26 -0.69 121.20 128.31 1x4y s ILE 102 Ca 0.02 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1x4y s ILE 102 Cb -0.14 -4.57 0.03 0.00 0.01 0.00 0.00 42.46 37.79 1x4y s ILE 102 CO -0.02 -1.26 0.11 0.00 0.00 0.00 0.00 174.94 173.77 1x4y s GLU 104 N 1.43 4.55 1.18 0.00 2.12 -1.26 -4.32 118.70 122.40 1x4y s GLU 104 Ca -0.01 1.46 -0.18 0.00 0.36 0.00 0.00 54.97 56.60 1x4y s GLU 104 Cb -0.19 -3.44 0.28 0.00 0.26 0.00 0.00 34.13 31.03 1x4y s GLU 104 CO 0.03 -0.06 1.10 0.95 -0.54 0.00 0.00 175.26 176.73 1x4y s THR 105 N 0.97 1.65 0.43 -1.70 -4.23 -1.23 -4.53 115.64 107.00 1x4y s THR 105 Ca 0.53 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.91 1x4y s THR 105 Cb -0.22 -2.47 -0.07 0.00 1.34 0.00 0.00 72.50 71.08 1x4y s THR 105 CO 0.28 0.00 0.83 -0.54 -0.54 0.00 0.00 174.62 174.65 1x4y s LYS 106 N -5.31 3.85 0.14 3.99 -0.14 -1.01 -3.90 119.74 117.35 1x4y s LYS 106 Ca 0.70 0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 55.63 1x4y s LYS 106 Cb -0.11 -2.32 -0.07 0.00 -1.68 0.00 0.00 37.83 33.65 1x4y s LYS 106 CO 0.56 -0.09 1.17 0.00 -0.76 0.00 0.00 175.35 176.23 1x4y s ALA 107 N -2.41 3.40 -0.07 5.17 0.00 -1.26 -0.58 121.76 126.00 1x4y s ALA 107 Ca 0.54 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 1x4y s ALA 107 Cb -0.10 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1x4y s ALA 107 CO 0.30 -0.34 2.14 2.89 0.00 0.00 0.00 175.76 180.74 1x4y n ARG 108 N 2.99 1.26 -1.50 0.00 1.85 -1.26 -4.84 116.66 115.16 1x4y n ARG 108 Ca 0.05 -0.42 -0.41 0.00 -1.00 0.00 0.00 57.85 56.07 1x4y n ARG 108 Cb 0.46 -1.21 -0.10 0.00 -1.05 0.00 0.00 32.46 30.55 1x4y n ARG 108 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1x4y n SER 109 N 1.33 1.09 0.00 2.89 7.64 -1.26 -4.58 113.62 120.73 1x4y n SER 109 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1x4y n SER 109 Cb 0.55 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1x4y n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4y n GLY 110 N 6.40 0.95 3.77 0.23 0.00 -1.26 -4.78 105.19 110.49 1x4y n GLY 110 Ca 0.54 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1x4y n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 111 N 0.00 2.56 -0.29 1.61 0.04 -1.26 -5.07 135.00 132.60 1x4y s PRO 111 Ca 0.00 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.15 1x4y s PRO 111 Cb 0.00 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.77 1x4y s PRO 111 CO 0.00 -1.42 1.08 0.45 0.04 0.00 0.00 177.00 177.15 1x4y s SER 112 N -2.93 -0.38 -0.12 6.66 0.15 -1.26 -5.13 113.70 110.68 1x4y s SER 112 Ca 0.64 0.64 0.03 0.00 0.70 0.00 0.00 55.95 57.97 1x4y s SER 112 Cb -0.19 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1x4y s SER 112 CO 0.48 -0.10 -0.23 -0.44 1.20 0.00 0.00 173.24 174.14 1x4y s SER 113 N 0.93 3.09 0.00 5.45 0.01 -1.26 -5.19 113.70 116.73 1x4y s SER 113 Ca -0.05 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1x4y s SER 113 Cb -0.04 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1x4y s SER 113 CO -0.12 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.26