#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ft4 n PRO 16 N 6.48 -0.45 -1.62 0.00 -0.04 -1.26 -4.49 135.00 133.62 1ft4 n PRO 16 Ca 0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 1ft4 n PRO 16 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 1ft4 n PRO 16 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ft4 n GLN 17 N -1.01 2.26 -0.17 0.54 -0.06 -1.26 -0.24 117.38 117.45 1ft4 n GLN 17 Ca 0.00 0.72 0.00 0.00 -2.00 0.00 0.00 57.00 55.72 1ft4 n GLN 17 Cb 0.00 -3.09 0.00 0.00 -4.06 0.00 0.00 30.24 23.09 1ft4 n GLN 17 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ft4 n GLY 18 N 5.30 0.78 3.61 1.69 0.00 -1.26 -5.01 105.19 110.30 1ft4 n GLY 18 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 1ft4 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ft4 s LYS 19 N -0.83 2.19 0.44 1.61 1.02 0.67 -0.12 119.74 124.71 1ft4 s LYS 19 Ca 0.00 -1.40 0.06 0.00 0.02 0.00 0.00 55.97 54.65 1ft4 s LYS 19 Cb 0.00 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1ft4 s LYS 19 CO 0.00 0.38 0.07 1.52 -0.92 0.00 0.00 175.35 176.40 1ft4 s TYR 20 N -2.16 2.35 -0.06 3.18 1.13 0.37 -4.55 117.35 117.60 1ft4 s TYR 20 Ca 0.29 -0.72 -0.24 0.00 -1.41 0.00 0.00 57.07 54.99 1ft4 s TYR 20 Cb -0.07 -1.79 -0.04 0.00 -1.10 0.00 0.00 41.96 38.96 1ft4 s TYR 20 CO 0.18 0.29 0.74 0.42 -2.51 0.00 0.00 175.55 174.67 1ft4 s ILE 21 N -2.73 5.02 0.03 -3.49 -1.09 -1.26 -2.23 121.20 115.45 1ft4 s ILE 21 Ca 0.30 1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 59.94 1ft4 s ILE 21 Cb 0.06 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.78 1ft4 s ILE 21 CO 0.16 0.23 1.90 -2.28 -1.23 0.00 0.00 174.94 173.72 1ft4 s HIS 22 N 0.87 1.49 0.19 3.97 2.46 -0.54 -4.88 115.29 118.85 1ft4 s HIS 22 Ca 0.39 -0.30 -0.16 0.00 0.47 0.00 0.00 55.06 55.46 1ft4 s HIS 22 Cb -0.18 -4.18 0.15 0.00 -0.13 0.00 0.00 32.58 28.24 1ft4 s HIS 22 CO 0.19 -5.21 1.64 -1.35 -2.47 0.00 0.00 174.74 167.54 1ft4 h PRO 23 N 10.19 -0.04 -0.64 2.88 0.11 -1.94 -2.85 132.00 139.72 1ft4 h PRO 23 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1ft4 h PRO 23 Cb 1.23 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1ft4 h PRO 23 CO 0.94 -0.02 0.06 1.96 -0.21 0.00 0.00 178.00 180.73 1ft4 h GLN 24 N -0.04 1.07 -2.75 1.05 7.50 -1.98 -3.37 115.11 116.59 1ft4 h GLN 24 Ca 0.24 -0.30 -0.44 0.00 0.50 0.00 0.00 58.65 58.64 1ft4 h GLN 24 Cb 0.40 -0.12 -0.39 0.00 0.05 0.00 0.00 27.48 27.43 1ft4 h GLN 24 CO -0.53 1.01 -0.73 -0.80 -1.50 0.00 0.00 178.83 176.28 1ft4 s ASN 25 N -6.54 2.53 0.00 1.46 -0.87 -1.09 -4.99 114.94 105.43 1ft4 s ASN 25 Ca -0.12 -0.81 -0.00 0.00 -1.57 0.00 0.00 52.86 50.36 1ft4 s ASN 25 Cb 0.14 -0.08 -0.00 0.00 -0.02 0.00 0.00 41.25 41.29 1ft4 s ASN 25 CO 0.85 -0.38 0.34 -0.46 -2.57 0.00 0.00 177.10 174.88 1ft4 n ASN 26 N 5.28 0.20 0.00 -1.22 6.94 -1.11 -1.37 115.26 123.98 1ft4 n ASN 26 Ca -0.06 -1.29 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 1ft4 n ASN 26 Cb 0.46 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1ft4 n ASN 26 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1ft4 n SER 27 N 2.47 0.00 -4.15 0.53 7.64 -1.26 -5.04 113.62 113.81 1ft4 n SER 27 Ca 0.01 -1.00 -0.26 0.00 1.01 0.00 0.00 58.87 58.62 1ft4 n SER 27 Cb 0.03 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.07 1ft4 n SER 27 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ft4 s ILE 28 N 0.00 1.48 -0.22 0.44 1.01 -0.47 -4.99 121.20 118.45 1ft4 s ILE 28 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1ft4 s ILE 28 Cb 0.00 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.25 1ft4 s ILE 28 CO 0.00 0.42 -0.15 0.00 0.00 0.00 0.00 174.94 175.21 1ft4 n THR 31 N -0.11 1.76 -2.76 0.00 -1.04 -1.26 -0.48 114.28 110.39 1ft4 n THR 31 Ca -0.03 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.16 1ft4 n THR 31 Cb 0.52 -0.55 -0.04 0.00 -1.82 0.00 0.00 70.33 68.44 1ft4 n THR 31 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1ft4 s LYS 32 N -1.66 3.92 0.20 -2.82 1.02 0.82 -4.65 119.74 116.58 1ft4 s LYS 32 Ca 0.64 0.73 -0.03 0.00 0.02 0.00 0.00 55.97 57.33 1ft4 s LYS 32 Cb -0.56 -2.29 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1ft4 s LYS 32 CO 0.58 -0.07 0.11 0.00 -0.92 0.00 0.00 175.35 175.05 1ft4 s HIS 34 N -1.04 2.14 0.26 0.00 3.76 -1.26 -4.24 115.29 114.91 1ft4 s HIS 34 Ca 0.09 -0.82 -0.30 0.00 -0.15 0.00 0.00 55.06 53.88 1ft4 s HIS 34 Cb -0.02 -1.71 -0.10 0.00 1.11 0.00 0.00 32.58 31.86 1ft4 s HIS 34 CO 0.07 0.27 1.41 -1.59 -0.85 0.00 0.00 174.74 174.05 1ft4 s LYS 35 N -3.84 4.29 0.00 1.40 -2.85 -1.25 -1.08 119.74 116.41 1ft4 s LYS 35 Ca 0.20 2.28 0.00 0.00 -1.00 0.00 0.00 55.97 57.44 1ft4 s LYS 35 Cb 0.05 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 32.71 1ft4 s LYS 35 CO 0.10 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.60 1ft4 n GLY 36 N 1.90 3.32 3.19 0.59 0.00 -0.95 -4.75 105.19 108.49 1ft4 n GLY 36 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1ft4 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ft4 s THR 37 N -2.94 1.54 0.70 2.61 -4.23 -0.24 -0.24 115.64 112.84 1ft4 s THR 37 Ca 0.00 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1ft4 s THR 37 Cb 0.00 -1.29 0.09 0.00 1.34 0.00 0.00 72.50 72.63 1ft4 s THR 37 CO 0.00 0.44 0.99 -0.72 -0.54 0.00 0.00 174.62 174.79 1ft4 s TYR 38 N -0.33 2.45 -0.36 3.99 1.13 0.23 -4.34 117.35 120.12 1ft4 s TYR 38 Ca 0.04 0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.57 1ft4 s TYR 38 Cb -0.09 -3.15 0.02 0.00 -1.10 0.00 0.00 41.96 37.64 1ft4 s TYR 38 CO 0.00 -1.49 1.17 -1.17 -2.51 0.00 0.00 175.55 171.54 1ft4 s LEU 39 N -5.18 3.82 -0.11 -3.49 1.98 -1.20 -0.20 118.68 114.31 1ft4 s LEU 39 Ca 0.62 0.92 0.03 0.00 -2.89 0.00 0.00 54.13 52.81 1ft4 s LEU 39 Cb -0.09 -3.54 -0.24 0.00 0.66 0.00 0.00 46.19 42.98 1ft4 s LEU 39 CO 0.44 -1.06 0.41 0.00 -1.89 0.00 0.00 176.35 174.25 1ft4 n TYR 40 N 7.42 0.97 -3.52 5.38 9.36 0.99 -4.69 117.16 133.07 1ft4 n TYR 40 Ca 0.13 0.26 -0.09 0.00 3.32 0.00 0.00 57.90 61.52 1ft4 n TYR 40 Cb 0.48 -1.15 -0.02 0.00 -0.63 0.00 0.00 39.34 38.02 1ft4 n TYR 40 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1ft4 s ASN 41 N -6.53 -0.41 0.26 2.98 0.01 -1.22 -4.98 114.94 105.05 1ft4 s ASN 41 Ca -0.16 -0.06 -0.30 0.00 -0.71 0.00 0.00 52.86 51.63 1ft4 s ASN 41 Cb 0.07 0.48 -0.09 0.00 0.41 0.00 0.00 41.25 42.12 1ft4 s ASN 41 CO 0.78 -0.79 0.97 -1.81 -1.51 0.00 0.00 177.10 174.74 1ft4 s ASP 42 N -2.63 7.55 0.38 -1.22 1.01 -1.26 -0.32 116.67 120.18 1ft4 s ASP 42 Ca 0.05 2.00 -0.27 0.00 0.71 0.00 0.00 52.55 55.03 1ft4 s ASP 42 Cb -0.01 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 1ft4 s ASP 42 CO -0.09 0.08 1.35 0.00 0.21 0.00 0.00 175.17 176.72 1ft4 s PRO 44 N -2.07 4.08 0.00 0.00 0.04 -1.26 -4.89 135.00 130.90 1ft4 s PRO 44 Ca 0.54 -2.65 0.00 0.00 0.04 0.00 0.00 61.00 58.93 1ft4 s PRO 44 Cb -0.41 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1ft4 s PRO 44 CO 0.53 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1ft4 n GLY 45 N 3.94 0.96 3.41 0.56 0.00 -1.26 -4.75 105.19 108.05 1ft4 n GLY 45 Ca 0.33 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1ft4 n GLY 45 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ft4 n PRO 46 N 1.09 -1.47 0.00 1.61 -0.02 -1.26 -1.28 135.00 133.67 1ft4 n PRO 46 Ca 0.00 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 1ft4 n PRO 46 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1ft4 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ft4 n GLY 47 N 1.42 2.37 3.87 -1.23 0.00 -1.26 -4.94 105.19 105.43 1ft4 n GLY 47 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1ft4 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ft4 s GLN 48 N 0.00 3.29 0.56 1.61 -1.52 -0.40 -5.05 119.66 118.14 1ft4 s GLN 48 Ca 0.00 -0.46 -0.18 0.00 -1.95 0.00 0.00 55.36 52.77 1ft4 s GLN 48 Cb 0.00 -2.97 -0.05 0.00 -0.22 0.00 0.00 33.01 29.77 1ft4 s GLN 48 CO 0.00 0.62 1.08 0.34 -0.25 0.00 0.00 175.29 177.08 1ft4 s ASP 49 N -2.25 5.84 0.09 5.90 2.15 -1.26 -4.73 116.67 122.41 1ft4 s ASP 49 Ca 0.30 1.98 -0.15 0.00 0.43 0.00 0.00 52.55 55.12 1ft4 s ASP 49 Cb -0.13 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.87 1ft4 s ASP 49 CO 0.23 -1.13 0.50 -0.89 -0.17 0.00 0.00 175.17 173.70 1ft4 s THR 50 N -2.10 4.91 -0.98 1.71 2.01 -1.26 -4.33 115.64 115.60 1ft4 s THR 50 Ca 0.68 0.85 -0.21 0.00 0.31 0.00 0.00 61.69 63.32 1ft4 s THR 50 Cb -0.19 -3.75 0.09 0.00 0.01 0.00 0.00 72.50 68.67 1ft4 s THR 50 CO 0.30 0.39 1.29 -0.62 -0.69 0.00 0.00 174.62 175.29 1ft4 s ASP 51 N -1.45 6.58 -0.42 3.53 3.68 0.57 -4.90 116.67 124.27 1ft4 s ASP 51 Ca 0.32 -1.80 -0.16 0.00 2.13 0.00 0.00 52.55 53.04 1ft4 s ASP 51 Cb -0.16 -2.48 0.02 0.00 -1.45 0.00 0.00 42.92 38.85 1ft4 s ASP 51 CO 0.18 -1.26 0.35 0.00 0.13 0.00 0.00 175.17 174.56 1ft4 s ARG 53 N 1.82 3.61 0.94 0.00 1.81 0.72 -4.84 118.95 123.01 1ft4 s ARG 53 Ca 0.07 -0.04 -0.10 0.00 -1.72 0.00 0.00 55.73 53.93 1ft4 s ARG 53 Cb -0.19 -3.22 0.16 0.00 -0.45 0.00 0.00 34.95 31.25 1ft4 s ARG 53 CO 0.11 0.71 1.13 -2.00 -0.68 0.00 0.00 175.30 174.57 1ft4 s GLU 54 N -0.87 0.77 0.01 3.54 2.12 -1.26 0.77 118.70 123.78 1ft4 s GLU 54 Ca 0.16 1.49 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 1ft4 s GLU 54 Cb -0.13 -1.70 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 1ft4 s GLU 54 CO 0.05 -2.78 1.14 0.00 -0.54 0.00 0.00 175.26 173.13 1ft4 s GLU 56 N 1.37 3.92 0.45 0.00 2.56 -1.26 -4.81 118.70 120.93 1ft4 s GLU 56 Ca 0.56 2.01 -0.25 0.00 0.00 0.00 0.00 54.97 57.29 1ft4 s GLU 56 Cb -0.26 -4.06 -0.08 0.00 2.00 0.00 0.00 34.13 31.73 1ft4 s GLU 56 CO 0.27 -1.16 1.41 -1.13 -0.56 0.00 0.00 175.26 174.09 1ft4 n SER 57 N 8.13 3.19 -4.43 -1.70 3.41 -1.26 -2.89 113.62 118.07 1ft4 n SER 57 Ca 0.19 1.11 -0.44 0.00 -0.26 0.00 0.00 58.87 59.48 1ft4 n SER 57 Cb 0.44 -1.59 -0.07 0.00 -0.26 0.00 0.00 64.21 62.73 1ft4 n SER 57 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ft4 s GLY 58 N -0.50 1.88 0.32 5.00 0.00 -1.26 -5.15 107.32 107.61 1ft4 s GLY 58 Ca 0.62 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 43.33 1ft4 s GLY 58 CO 0.57 1.28 0.81 -0.45 0.00 0.00 0.00 173.10 175.31 1ft4 s SER 59 N 2.50 -0.09 0.21 1.64 0.15 -1.14 -2.02 113.70 114.96 1ft4 s SER 59 Ca 0.11 -0.89 -0.18 0.00 0.70 0.00 0.00 55.95 55.69 1ft4 s SER 59 Cb -0.20 0.76 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1ft4 s SER 59 CO 0.11 -1.47 0.56 0.72 1.20 0.00 0.00 173.24 174.36 1ft4 s PHE 60 N -2.84 -0.15 0.04 3.44 -0.71 -0.86 -1.65 117.98 115.25 1ft4 s PHE 60 Ca 0.15 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 55.86 1ft4 s PHE 60 Cb -0.05 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1ft4 s PHE 60 CO 0.09 -0.97 -0.07 0.95 -1.34 0.00 0.00 175.22 173.88 1ft4 s THR 61 N -3.87 0.51 -0.19 -4.49 -4.23 0.12 -1.18 115.64 102.31 1ft4 s THR 61 Ca 0.09 -1.10 0.17 0.00 -1.18 0.00 0.00 61.69 59.68 1ft4 s THR 61 Cb -0.02 -0.62 0.03 0.00 1.34 0.00 0.00 72.50 73.23 1ft4 s THR 61 CO -0.02 -0.41 1.24 0.00 -0.54 0.00 0.00 174.62 174.89 1ft4 h ALA 62 N 4.45 0.68 -2.95 3.99 0.00 -1.82 -2.86 119.26 120.75 1ft4 h ALA 62 Ca -0.35 -0.47 -0.28 0.00 0.00 0.00 0.00 54.91 53.80 1ft4 h ALA 62 Cb 1.20 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1ft4 h ALA 62 CO 0.42 0.58 -0.15 -1.54 0.00 0.00 0.00 179.25 178.55 1ft4 s SER 63 N -6.12 0.99 0.53 0.00 1.04 -1.26 -4.81 113.70 104.08 1ft4 s SER 63 Ca 0.02 -1.52 -0.20 0.00 0.48 0.00 0.00 55.95 54.72 1ft4 s SER 63 Cb 0.08 0.70 -0.08 0.00 0.10 0.00 0.00 66.02 66.82 1ft4 s SER 63 CO 0.76 -1.36 0.85 -1.84 0.98 0.00 0.00 173.24 172.63 1ft4 n GLU 64 N -0.59 0.91 -3.69 4.02 0.28 -1.26 -3.88 120.64 116.43 1ft4 n GLU 64 Ca 0.01 0.34 0.01 0.00 -0.16 0.00 0.00 57.16 57.36 1ft4 n GLU 64 Cb 0.61 -1.98 -0.00 0.00 1.43 0.00 0.00 31.44 31.50 1ft4 n GLU 64 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ft4 s ASN 65 N -1.07 -0.05 -0.35 -1.84 2.20 -1.26 -5.00 114.94 107.57 1ft4 s ASN 65 Ca 0.70 -0.18 0.15 0.00 -0.94 0.00 0.00 52.86 52.59 1ft4 s ASN 65 Cb -0.47 0.19 0.44 0.00 -2.00 0.00 0.00 41.25 39.40 1ft4 s ASN 65 CO 0.52 -0.35 1.11 0.00 -2.94 0.00 0.00 177.10 175.44 1ft4 n HIS 66 N -0.56 -0.18 -3.17 1.54 1.44 -1.26 -1.12 115.22 111.92 1ft4 n HIS 66 Ca -0.07 -2.45 -0.39 0.00 -2.01 0.00 0.00 57.72 52.80 1ft4 n HIS 66 Cb 0.62 0.35 -0.06 0.00 0.12 0.00 0.00 29.99 31.02 1ft4 n HIS 66 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ft4 s LEU 67 N -3.17 4.55 0.00 2.39 2.01 -1.26 -4.76 118.68 118.44 1ft4 s LEU 67 Ca 0.25 1.40 0.24 0.00 0.01 0.00 0.00 54.13 56.04 1ft4 s LEU 67 Cb 0.44 -3.04 1.11 0.00 0.01 0.00 0.00 46.19 44.71 1ft4 s LEU 67 CO -0.01 0.25 1.80 -1.14 1.01 0.00 0.00 176.35 178.26 1ft4 n ARG 68 N 1.67 0.12 -3.97 1.70 3.00 -1.26 -3.21 116.66 114.71 1ft4 n ARG 68 Ca -0.09 0.07 -0.09 0.00 -0.00 0.00 0.00 57.85 57.74 1ft4 n ARG 68 Cb 0.50 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.40 1ft4 n ARG 68 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ft4 s HIS 69 N -2.85 0.38 0.54 -0.14 0.09 -1.26 -4.87 115.29 107.18 1ft4 s HIS 69 Ca 0.16 -0.73 -0.04 0.00 -0.00 0.00 0.00 55.06 54.45 1ft4 s HIS 69 Cb 0.16 0.08 0.00 0.00 -0.00 0.00 0.00 32.58 32.83 1ft4 s HIS 69 CO 0.42 -0.88 0.82 0.00 -0.00 0.00 0.00 174.74 175.11 1ft4 s LEU 71 N -4.85 4.44 1.00 0.00 2.01 -0.32 -4.87 118.68 116.09 1ft4 s LEU 71 Ca 0.52 0.97 -0.11 0.00 0.01 0.00 0.00 54.13 55.52 1ft4 s LEU 71 Cb -0.10 -2.65 0.19 0.00 0.01 0.00 0.00 46.19 43.64 1ft4 s LEU 71 CO 0.43 0.25 1.10 -0.44 1.01 0.00 0.00 176.35 178.70 1ft4 s SER 72 N -0.73 2.25 0.31 2.29 0.01 -1.26 -2.03 113.70 114.54 1ft4 s SER 72 Ca 0.25 1.96 -0.29 0.00 1.31 0.00 0.00 55.95 59.18 1ft4 s SER 72 Cb -0.17 -2.48 -0.11 0.00 0.21 0.00 0.00 66.02 63.47 1ft4 s SER 72 CO 0.13 -3.48 1.49 0.00 0.41 0.00 0.00 173.24 171.79 1ft4 s SER 74 N 0.13 6.43 0.65 0.00 1.04 -1.26 -5.05 113.70 115.64 1ft4 s SER 74 Ca 0.57 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 57.45 1ft4 s SER 74 Cb -0.45 -2.20 0.04 0.00 0.10 0.00 0.00 66.02 63.51 1ft4 s SER 74 CO 0.52 0.05 0.94 -0.75 0.98 0.00 0.00 173.24 174.98 1ft4 s LYS 75 N 0.73 2.47 0.45 4.02 2.20 -1.26 -4.65 119.74 123.70 1ft4 s LYS 75 Ca 0.17 -0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.30 1ft4 s LYS 75 Cb -0.14 -2.25 -0.07 0.00 -1.51 0.00 0.00 37.83 33.86 1ft4 s LYS 75 CO 0.05 -1.00 1.17 0.00 -0.36 0.00 0.00 175.35 175.22 1ft4 s ARG 77 N -2.66 3.35 0.06 0.00 0.52 -1.26 -4.75 118.95 114.21 1ft4 s ARG 77 Ca 0.63 -0.84 0.28 0.00 -0.52 0.00 0.00 55.73 55.28 1ft4 s ARG 77 Cb -0.29 -5.16 1.02 0.00 0.52 0.00 0.00 34.95 31.04 1ft4 s ARG 77 CO 0.35 -2.42 1.82 0.36 0.02 0.00 0.00 175.30 175.44 1ft4 n LYS 78 N 8.94 0.09 0.27 3.54 2.85 -1.26 -2.01 118.16 130.59 1ft4 n LYS 78 Ca 0.31 0.06 0.09 0.00 -1.05 0.00 0.00 58.31 57.72 1ft4 n LYS 78 Cb 0.50 -1.59 0.47 0.00 -0.65 0.00 0.00 35.03 33.75 1ft4 n LYS 78 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1ft4 h GLU 79 N 0.00 0.00 -0.63 -1.58 3.07 -1.94 0.16 114.58 113.65 1ft4 h GLU 79 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 1ft4 h GLU 79 Cb 0.58 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.29 1ft4 h GLU 79 CO 0.00 0.00 0.23 -1.33 -1.40 0.00 0.00 179.01 176.51 1ft4 n MET 80 N -2.49 2.01 -3.77 2.33 2.81 -0.85 -4.91 117.12 112.25 1ft4 n MET 80 Ca -0.01 -3.12 -0.22 0.00 -1.81 0.00 0.00 57.70 52.53 1ft4 n MET 80 Cb 0.52 -1.97 0.02 0.00 -0.71 0.00 0.00 33.22 31.07 1ft4 n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ft4 n GLY 81 N -1.14 -0.28 3.96 3.03 0.00 0.55 -1.96 105.19 109.35 1ft4 n GLY 81 Ca 0.45 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 1ft4 n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ft4 s GLN 82 N -6.13 3.42 -0.08 1.61 -0.21 -1.23 -4.10 119.66 112.94 1ft4 s GLN 82 Ca 0.02 -0.74 -0.06 0.00 0.02 0.00 0.00 55.36 54.60 1ft4 s GLN 82 Cb -0.01 -2.89 0.03 0.00 1.00 0.00 0.00 33.01 31.14 1ft4 s GLN 82 CO 0.83 0.45 0.20 0.14 -2.12 0.00 0.00 175.29 174.79 1ft4 s VAL 83 N -1.94 -0.02 0.64 1.09 -7.23 -1.22 -4.86 120.40 106.86 1ft4 s VAL 83 Ca 0.34 0.07 -0.14 0.00 -1.81 0.00 0.00 61.98 60.45 1ft4 s VAL 83 Cb -0.09 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.52 1ft4 s VAL 83 CO 0.29 0.03 1.05 -1.83 -0.31 0.00 0.00 175.10 174.33 1ft4 s GLU 84 N 0.62 3.17 0.00 4.82 4.04 -1.26 -0.37 118.70 129.73 1ft4 s GLU 84 Ca -0.04 1.08 0.00 0.00 0.04 0.00 0.00 54.97 56.05 1ft4 s GLU 84 Cb -0.06 -2.02 0.00 0.00 0.02 0.00 0.00 34.13 32.07 1ft4 s GLU 84 CO -0.03 -0.92 0.21 0.44 -1.84 0.00 0.00 175.26 173.12 1ft4 n ILE 85 N -2.50 0.00 -3.72 1.83 -5.35 0.88 -4.84 119.36 105.66 1ft4 n ILE 85 Ca 0.08 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 1ft4 n ILE 85 Cb 0.53 1.26 -0.11 0.00 -1.74 0.00 0.00 39.64 39.58 1ft4 n ILE 85 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1ft4 s SER 86 N 0.00 -0.42 0.69 7.28 0.01 -1.20 -4.98 113.70 115.07 1ft4 s SER 86 Ca 0.00 0.76 -0.11 0.00 1.31 0.00 0.00 55.95 57.91 1ft4 s SER 86 Cb 0.00 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1ft4 s SER 86 CO 0.00 -0.16 1.07 -0.44 0.41 0.00 0.00 173.24 174.12 1ft4 s SER 87 N 0.89 5.61 -0.01 2.44 0.01 -1.26 -0.99 113.70 120.40 1ft4 s SER 87 Ca -0.06 1.27 -0.23 0.00 1.31 0.00 0.00 55.95 58.24 1ft4 s SER 87 Cb -0.06 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1ft4 s SER 87 CO -0.07 -1.25 0.70 0.00 0.41 0.00 0.00 173.24 173.03 1ft4 s THR 89 N 0.23 -0.82 0.00 0.00 -4.23 0.92 -4.81 115.64 106.93 1ft4 s THR 89 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1ft4 s THR 89 Cb -0.19 -0.06 0.00 0.00 1.34 0.00 0.00 72.50 73.59 1ft4 s THR 89 CO 0.20 0.00 0.00 1.33 -0.54 0.00 0.00 174.62 175.61 1ft4 n VAL 90 N 4.34 0.00 -0.11 2.29 0.24 -0.66 -1.65 118.33 122.78 1ft4 n VAL 90 Ca 0.09 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.16 1ft4 n VAL 90 Cb 0.58 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.84 1ft4 n VAL 90 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ft4 n ASP 91 N 0.00 1.97 -4.62 -1.34 9.92 -1.25 0.14 116.55 121.37 1ft4 n ASP 91 Ca 0.00 0.23 -0.43 0.00 -0.53 0.00 0.00 54.79 54.06 1ft4 n ASP 91 Cb 0.00 -0.77 -0.03 0.00 -0.64 0.00 0.00 41.12 39.68 1ft4 n ASP 91 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ft4 s ARG 92 N -2.49 3.93 0.58 -1.24 6.06 -0.66 -3.83 118.95 121.31 1ft4 s ARG 92 Ca -0.33 0.76 -0.19 0.00 -2.50 0.00 0.00 55.73 53.47 1ft4 s ARG 92 Cb 0.10 -3.78 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 1ft4 s ARG 92 CO 0.58 -0.93 1.15 0.34 -2.50 0.00 0.00 175.30 173.94 1ft4 s ASP 93 N 1.80 5.47 0.31 -2.12 -1.08 -1.26 -0.05 116.67 119.75 1ft4 s ASP 93 Ca 0.41 2.20 -0.24 0.00 -0.52 0.00 0.00 52.55 54.39 1ft4 s ASP 93 Cb -0.12 -2.58 -0.16 0.00 -1.46 0.00 0.00 42.92 38.60 1ft4 s ASP 93 CO 0.18 -1.39 0.31 0.41 0.52 0.00 0.00 175.17 175.20 1ft4 n THR 94 N -1.57 1.31 -3.88 1.71 -1.04 -1.26 -4.76 114.28 104.79 1ft4 n THR 94 Ca 0.12 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.27 1ft4 n THR 94 Cb 0.51 -0.04 -0.13 0.00 -1.82 0.00 0.00 70.33 68.85 1ft4 n THR 94 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ft4 s VAL 95 N -1.36 4.07 0.36 12.58 -7.23 -0.16 -4.97 120.40 123.69 1ft4 s VAL 95 Ca 0.61 -0.26 -0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1ft4 s VAL 95 Cb -0.76 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1ft4 s VAL 95 CO 0.60 0.38 0.57 0.00 -0.31 0.00 0.00 175.10 176.34 1ft4 n GLY 97 N -1.81 2.07 3.69 0.00 0.00 0.51 -4.84 105.19 104.81 1ft4 n GLY 97 Ca -0.04 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1ft4 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ft4 n ARG 99 N 2.76 0.09 -0.07 0.00 0.63 -1.26 -4.15 116.66 114.65 1ft4 n ARG 99 Ca -0.18 0.06 -0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1ft4 n ARG 99 Cb 0.53 -1.60 -0.00 0.00 0.45 0.00 0.00 32.46 31.84 1ft4 n ARG 99 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ft4 n LYS 100 N -0.13 0.00 -3.75 -0.14 5.02 -1.26 -1.40 118.16 116.50 1ft4 n LYS 100 Ca 0.07 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.14 1ft4 n LYS 100 Cb 0.51 -0.07 0.02 0.00 -0.02 0.00 0.00 35.03 35.48 1ft4 n LYS 100 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ft4 n ASN 101 N 0.30 -1.13 -0.36 4.39 4.13 -1.26 -5.04 115.26 116.29 1ft4 n ASN 101 Ca 0.00 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.40 1ft4 n ASN 101 Cb 0.03 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.44 1ft4 n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ft4 n GLN 102 N -4.28 2.66 -4.08 3.52 6.02 -0.50 -4.15 117.38 116.58 1ft4 n GLN 102 Ca -0.30 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.59 1ft4 n GLN 102 Cb 0.68 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.83 1ft4 n GLN 102 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1ft4 s TYR 103 N 1.79 0.62 -0.93 1.08 1.13 -0.06 -4.69 117.35 116.28 1ft4 s TYR 103 Ca 0.00 -0.69 -0.15 0.00 -1.41 0.00 0.00 57.07 54.81 1ft4 s TYR 103 Cb 0.00 -0.38 0.19 0.00 -1.10 0.00 0.00 41.96 40.66 1ft4 s TYR 103 CO 0.00 -0.17 1.01 0.50 -2.51 0.00 0.00 175.55 174.38 1ft4 s ARG 104 N -2.45 3.71 -0.62 -3.49 3.52 -0.07 -1.96 118.95 117.58 1ft4 s ARG 104 Ca -0.03 -2.27 -0.24 0.00 -0.13 0.00 0.00 55.73 53.05 1ft4 s ARG 104 Cb -0.04 -4.70 0.05 0.00 -1.56 0.00 0.00 34.95 28.71 1ft4 s ARG 104 CO -0.03 -1.52 1.02 -1.58 -0.81 0.00 0.00 175.30 172.38 1ft4 s HIS 105 N 1.16 2.65 -0.64 5.12 5.65 0.19 -4.75 115.29 124.67 1ft4 s HIS 105 Ca 0.27 -0.17 -0.26 0.00 0.25 0.00 0.00 55.06 55.15 1ft4 s HIS 105 Cb -0.07 -4.27 -0.03 0.00 -1.18 0.00 0.00 32.58 27.03 1ft4 s HIS 105 CO -0.08 -1.59 1.92 0.71 -0.65 0.00 0.00 174.74 175.05 1ft4 s TYR 106 N 4.35 1.62 -0.07 3.88 1.51 -1.26 -0.69 117.35 126.69 1ft4 s TYR 106 Ca 0.29 0.84 -0.00 0.00 -1.01 0.00 0.00 57.07 57.19 1ft4 s TYR 106 Cb -0.13 -4.04 0.02 0.00 -0.11 0.00 0.00 41.96 37.71 1ft4 s TYR 106 CO 0.16 -2.26 -0.03 1.67 -1.11 0.00 0.00 175.55 173.98 1ft4 s TRP 107 N 9.51 0.89 0.64 2.71 1.48 -1.10 -3.78 118.94 129.28 1ft4 s TRP 107 Ca 0.70 -0.31 -0.14 0.00 -1.06 0.00 0.00 56.10 55.29 1ft4 s TRP 107 Cb -0.12 -0.85 -0.01 0.00 -1.16 0.00 0.00 33.47 31.32 1ft4 s TRP 107 CO 0.19 -0.32 1.07 -1.12 -4.06 0.00 0.00 176.95 172.71 1ft4 s SER 108 N 1.51 5.47 0.37 -2.66 0.01 -1.26 -4.36 113.70 112.78 1ft4 s SER 108 Ca -0.01 1.82 -0.27 0.00 1.31 0.00 0.00 55.95 58.80 1ft4 s SER 108 Cb -0.13 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 1ft4 s SER 108 CO -0.04 -1.38 1.30 -1.83 0.41 0.00 0.00 173.24 171.70 1ft4 s GLU 109 N -4.31 4.15 -0.35 12.44 -1.05 -1.25 -0.51 118.70 127.81 1ft4 s GLU 109 Ca 0.63 2.16 0.08 0.00 -0.15 0.00 0.00 54.97 57.70 1ft4 s GLU 109 Cb -0.17 -2.89 0.65 0.00 -0.44 0.00 0.00 34.13 31.28 1ft4 s GLU 109 CO 0.42 -0.35 1.74 0.27 0.95 0.00 0.00 175.26 178.30 1ft4 n ASN 110 N 0.42 3.82 -4.94 0.83 6.94 -1.26 -5.09 115.26 115.99 1ft4 n ASN 110 Ca 0.02 -3.48 -0.24 0.00 -0.02 0.00 0.00 54.58 50.86 1ft4 n ASN 110 Cb 0.43 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1ft4 n ASN 110 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1ft4 s LEU 111 N -3.16 3.72 0.22 -4.53 2.96 0.33 -5.06 118.68 113.16 1ft4 s LEU 111 Ca 0.52 0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 54.76 1ft4 s LEU 111 Cb 0.44 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.77 1ft4 s LEU 111 CO 0.09 -0.59 0.54 0.72 -1.32 0.00 0.00 176.35 175.80 1ft4 s PHE 112 N -2.56 -0.03 0.10 5.38 -0.12 -1.26 -2.72 117.98 116.77 1ft4 s PHE 112 Ca 0.46 -0.33 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 1ft4 s PHE 112 Cb -0.10 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1ft4 s PHE 112 CO 0.39 -0.97 -0.08 1.14 -0.05 0.00 0.00 175.22 175.65 1ft4 s GLN 113 N -3.91 0.85 -0.44 1.99 -2.07 0.13 -4.76 119.66 111.46 1ft4 s GLN 113 Ca 0.12 -1.29 -0.26 0.00 -1.82 0.00 0.00 55.36 52.10 1ft4 s GLN 113 Cb -0.02 -0.33 0.03 0.00 -1.09 0.00 0.00 33.01 31.60 1ft4 s GLN 113 CO 0.01 0.02 0.98 0.00 -1.32 0.00 0.00 175.29 174.97 1ft4 s PHE 115 N 3.86 2.09 0.38 0.00 0.08 -0.83 -4.77 117.98 118.79 1ft4 s PHE 115 Ca 0.40 0.27 -0.18 0.00 0.12 0.00 0.00 56.93 57.55 1ft4 s PHE 115 Cb -0.10 -3.57 -0.10 0.00 -0.57 0.00 0.00 43.02 38.69 1ft4 s PHE 115 CO 0.26 -2.03 0.85 1.21 -0.10 0.00 0.00 175.22 175.40 1ft4 s ASN 116 N -4.73 6.83 -0.01 1.36 3.84 -1.26 -0.89 114.94 120.08 1ft4 s ASN 116 Ca 0.67 1.47 -0.30 0.00 0.21 0.00 0.00 52.86 54.92 1ft4 s ASN 116 Cb -0.07 -2.45 -0.06 0.00 -0.55 0.00 0.00 41.25 38.12 1ft4 s ASN 116 CO 0.49 -0.30 1.64 0.00 -2.79 0.00 0.00 177.10 176.14 1ft4 s SER 118 N 3.01 6.80 0.66 0.00 0.01 -1.26 -4.99 113.70 117.94 1ft4 s SER 118 Ca 0.73 0.93 -0.15 0.00 1.31 0.00 0.00 55.95 58.77 1ft4 s SER 118 Cb -0.35 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1ft4 s SER 118 CO 0.30 -0.61 1.12 -1.48 0.41 0.00 0.00 173.24 172.99 1ft4 s LEU 119 N 3.01 3.39 0.43 2.44 -0.00 -1.26 -4.08 118.68 122.60 1ft4 s LEU 119 Ca 0.36 2.05 -0.25 0.00 -0.00 0.00 0.00 54.13 56.29 1ft4 s LEU 119 Cb -0.14 -4.56 -0.08 0.00 -0.00 0.00 0.00 46.19 41.41 1ft4 s LEU 119 CO 0.10 -1.70 1.26 0.00 -0.00 0.00 0.00 176.35 176.01 1ft4 n LEU 121 N -0.09 6.62 -3.45 0.00 7.94 -0.55 -4.40 117.00 123.07 1ft4 n LEU 121 Ca 0.05 -4.21 -0.22 0.00 -1.11 0.00 0.00 56.01 50.52 1ft4 n LEU 121 Cb 0.45 -1.64 0.01 0.00 0.53 0.00 0.00 43.42 42.77 1ft4 n LEU 121 CO 0.53 1.06 -0.10 -3.20 -1.11 0.00 0.00 177.39 174.56 1ft4 n ASN 122 N 5.95 -5.99 -1.73 1.96 5.15 -1.26 -1.84 115.26 117.50 1ft4 n ASN 122 Ca 0.49 -0.38 -0.06 0.00 -0.60 0.00 0.00 54.58 54.04 1ft4 n ASN 122 Cb 0.39 -2.84 -0.02 0.00 -0.53 0.00 0.00 39.78 36.79 1ft4 n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ft4 n GLY 123 N -1.08 3.74 3.65 8.20 0.00 -1.26 -3.40 105.19 115.04 1ft4 n GLY 123 Ca -0.14 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1ft4 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ft4 s THR 124 N -2.31 5.09 -0.44 2.61 2.01 0.30 -4.67 115.64 118.23 1ft4 s THR 124 Ca 0.10 0.97 -0.44 0.00 0.31 0.00 0.00 61.69 62.63 1ft4 s THR 124 Cb 0.01 -3.85 -0.19 0.00 0.01 0.00 0.00 72.50 68.48 1ft4 s THR 124 CO 0.07 0.15 1.47 0.52 -0.69 0.00 0.00 174.62 176.15 1ft4 n VAL 125 N 4.68 0.00 0.00 3.82 0.31 -1.26 -1.33 118.33 124.55 1ft4 n VAL 125 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1ft4 n VAL 125 Cb 0.50 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1ft4 n VAL 125 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1ft4 n HIS 126 N 3.61 0.00 -2.87 3.52 -0.00 0.13 -4.84 115.22 114.78 1ft4 n HIS 126 Ca 0.29 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.07 1ft4 n HIS 126 Cb -0.05 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.76 1ft4 n HIS 126 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1ft4 s LEU 127 N -0.89 4.60 0.50 0.27 1.43 -1.10 -4.85 118.68 118.64 1ft4 s LEU 127 Ca 0.00 1.77 -0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1ft4 s LEU 127 Cb 0.00 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1ft4 s LEU 127 CO 0.00 0.16 0.82 -0.44 0.23 0.00 0.00 176.35 177.12 1ft4 s SER 128 N -1.02 6.26 0.15 2.29 0.01 -1.26 -0.15 113.70 119.98 1ft4 s SER 128 Ca 0.39 1.00 -0.31 0.00 1.31 0.00 0.00 55.95 58.33 1ft4 s SER 128 Cb -0.24 -2.28 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 1ft4 s SER 128 CO 0.29 -0.61 1.53 0.00 0.41 0.00 0.00 173.24 174.85 1ft4 s GLN 130 N 1.23 0.60 0.43 0.00 -2.07 -0.01 -4.89 119.66 114.95 1ft4 s GLN 130 Ca 0.69 -0.81 0.12 0.00 -1.82 0.00 0.00 55.36 53.54 1ft4 s GLN 130 Cb -0.42 0.23 0.98 0.00 -1.09 0.00 0.00 33.01 32.72 1ft4 s GLN 130 CO 0.31 -0.15 2.00 1.49 -1.32 0.00 0.00 175.29 177.62 1ft4 h GLU 131 N 3.57 0.43 0.00 9.60 4.57 -1.93 0.41 114.58 131.24 1ft4 h GLU 131 Ca -0.33 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.62 1ft4 h GLU 131 Cb 1.18 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 1ft4 h GLU 131 CO 0.52 0.29 -1.04 -0.22 -1.18 0.00 0.00 179.01 177.37 1ft4 h LYS 132 N 0.45 0.00 -5.14 1.92 3.64 -1.97 -0.16 116.57 115.31 1ft4 h LYS 132 Ca 0.24 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 59.20 1ft4 h LYS 132 Cb 0.38 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.94 1ft4 h LYS 132 CO -0.07 0.83 -0.79 -0.65 -2.27 0.00 0.00 179.45 176.51 1ft4 s GLN 133 N -2.74 0.87 1.12 1.90 -0.21 0.13 -4.59 119.66 116.16 1ft4 s GLN 133 Ca 0.01 -0.65 -0.12 0.00 0.02 0.00 0.00 55.36 54.61 1ft4 s GLN 133 Cb 0.09 -0.85 0.26 0.00 1.00 0.00 0.00 33.01 33.51 1ft4 s GLN 133 CO 0.81 0.21 1.05 1.21 -2.12 0.00 0.00 175.29 176.45 1ft4 s ASN 134 N -0.93 1.29 0.46 5.90 3.84 -1.26 -0.83 114.94 123.40 1ft4 s ASN 134 Ca 0.01 1.65 -0.22 0.00 0.21 0.00 0.00 52.86 54.51 1ft4 s ASN 134 Cb -0.07 -2.36 -0.10 0.00 -0.55 0.00 0.00 41.25 38.17 1ft4 s ASN 134 CO 0.01 -4.03 0.88 0.41 -2.79 0.00 0.00 177.10 171.58 1ft4 n THR 135 N -4.81 2.50 -4.66 -5.21 -1.04 -1.26 -4.56 114.28 95.24 1ft4 n THR 135 Ca 0.05 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.22 1ft4 n THR 135 Cb 0.54 -1.00 -0.13 0.00 -1.82 0.00 0.00 70.33 67.92 1ft4 n THR 135 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ft4 s VAL 136 N -1.38 3.46 0.06 12.58 1.01 0.79 -4.90 120.40 132.02 1ft4 s VAL 136 Ca 0.66 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1ft4 s VAL 136 Cb -0.53 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1ft4 s VAL 136 CO 0.55 0.55 -0.02 0.00 0.00 0.00 0.00 175.10 176.18 1ft4 s THR 138 N -1.21 0.86 0.29 0.00 -1.32 -0.44 -4.84 115.64 108.99 1ft4 s THR 138 Ca 0.23 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.79 1ft4 s THR 138 Cb -0.11 -2.69 -0.06 0.00 -1.51 0.00 0.00 72.50 68.13 1ft4 s THR 138 CO 0.14 -0.02 -0.11 0.00 -2.21 0.00 0.00 174.62 172.42 1ft4 s HIS 140 N -2.75 3.40 -1.45 0.00 3.76 -1.22 -4.38 115.29 112.65 1ft4 s HIS 140 Ca 0.30 1.67 -0.09 0.00 -0.15 0.00 0.00 55.06 56.79 1ft4 s HIS 140 Cb 0.01 -3.22 0.05 0.00 1.11 0.00 0.00 32.58 30.53 1ft4 s HIS 140 CO 0.14 -0.64 0.88 0.00 -0.85 0.00 0.00 174.74 174.27 1ft4 n ALA 141 N 0.55 -1.55 -2.10 -1.40 0.00 -1.26 -2.52 120.51 112.23 1ft4 n ALA 141 Ca 0.02 0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 1ft4 n ALA 141 Cb 0.47 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.30 1ft4 n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ft4 n GLY 142 N -1.67 0.38 3.80 0.00 0.00 -1.26 -4.97 105.19 101.47 1ft4 n GLY 142 Ca -0.08 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1ft4 n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ft4 s PHE 143 N -2.90 3.02 0.01 1.61 0.08 -1.05 -4.98 117.98 113.78 1ft4 s PHE 143 Ca 0.00 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.31 1ft4 s PHE 143 Cb 0.00 -3.04 -0.06 0.00 -0.57 0.00 0.00 43.02 39.35 1ft4 s PHE 143 CO 0.00 -0.86 1.45 0.12 -0.10 0.00 0.00 175.22 175.83 1ft4 s PHE 144 N -2.12 2.76 0.14 0.36 2.19 -0.40 -4.80 117.98 116.11 1ft4 s PHE 144 Ca 0.66 0.71 -0.30 0.00 0.33 0.00 0.00 56.93 58.33 1ft4 s PHE 144 Cb -0.16 -3.73 -0.07 0.00 -1.31 0.00 0.00 43.02 37.76 1ft4 s PHE 144 CO 0.24 -2.74 1.11 -0.51 1.83 0.00 0.00 175.22 175.14 1ft4 s LEU 145 N 2.46 4.45 -0.45 6.12 2.01 -1.26 -1.03 118.68 130.97 1ft4 s LEU 145 Ca 0.66 2.03 0.05 0.00 0.01 0.00 0.00 54.13 56.88 1ft4 s LEU 145 Cb -0.33 -3.60 0.18 0.00 0.01 0.00 0.00 46.19 42.45 1ft4 s LEU 145 CO 0.28 -0.27 0.51 -0.60 1.01 0.00 0.00 176.35 177.27 1ft4 s ARG 146 N 0.07 0.96 1.05 1.70 6.06 0.21 -4.91 118.95 124.09 1ft4 s ARG 146 Ca 0.52 -1.59 0.00 0.00 -2.50 0.00 0.00 55.73 52.16 1ft4 s ARG 146 Cb -0.28 -0.79 0.00 0.00 0.06 0.00 0.00 34.95 33.94 1ft4 s ARG 146 CO 0.33 -1.35 0.00 0.39 -2.50 0.00 0.00 175.30 172.17 1ft4 n GLU 147 N 2.97 0.00 -0.13 5.12 1.02 -1.26 0.61 120.64 128.98 1ft4 n GLU 147 Ca 0.24 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 1ft4 n GLU 147 Cb 0.51 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.82 1ft4 n GLU 147 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ft4 n ASN 148 N 2.36 1.98 -4.77 1.62 2.85 -1.26 -2.97 115.26 115.07 1ft4 n ASN 148 Ca 0.00 -0.04 -0.37 0.00 -0.11 0.00 0.00 54.58 54.05 1ft4 n ASN 148 Cb 0.00 -0.50 -0.03 0.00 1.24 0.00 0.00 39.78 40.49 1ft4 n ASN 148 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1ft4 s GLU 149 N -2.52 4.12 -0.62 1.20 0.41 0.20 -1.48 118.70 120.01 1ft4 s GLU 149 Ca -0.35 1.68 -0.03 0.00 -0.41 0.00 0.00 54.97 55.86 1ft4 s GLU 149 Cb 0.10 -2.63 0.16 0.00 -1.78 0.00 0.00 34.13 29.98 1ft4 s GLU 149 CO 0.59 -0.22 0.44 0.00 -0.49 0.00 0.00 175.26 175.58 1ft4 s VAL 151 N 0.03 4.50 0.15 0.00 0.11 -0.20 -4.86 120.40 120.13 1ft4 s VAL 151 Ca 0.16 -0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 58.83 1ft4 s VAL 151 Cb -0.20 -3.11 -0.05 0.00 -1.53 0.00 0.00 36.38 31.49 1ft4 s VAL 151 CO -0.04 0.33 1.42 -1.20 -3.33 0.00 0.00 175.10 172.29 1ft4 n SER 152 N 4.85 -0.96 0.00 3.54 7.64 -1.26 -1.80 113.62 125.63 1ft4 n SER 152 Ca -0.16 1.64 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1ft4 n SER 152 Cb 0.52 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1ft4 n SER 152 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ft4 h SER 154 N 0.00 0.00 0.00 0.00 0.02 -2.01 -3.49 113.55 108.07 1ft4 h SER 154 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ft4 h SER 154 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ft4 h SER 154 CO 0.00 0.16 0.00 -3.20 -1.14 0.00 0.00 176.83 172.65