#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rml h PRO 25 N 0.00 -0.25 -6.28 1.97 0.13 -1.89 -3.42 132.00 122.26 1rml h PRO 25 Ca 0.00 0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.48 1rml h PRO 25 Cb 0.00 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 31.04 1rml h PRO 25 CO 0.00 -0.17 -0.67 0.21 -0.23 0.00 0.00 178.00 177.14 1rml s LYS 26 N -2.38 2.60 -0.10 0.86 2.20 -1.26 0.18 119.74 121.84 1rml s LYS 26 Ca -0.04 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1rml s LYS 26 Cb 0.00 -2.56 0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1rml s LYS 26 CO 0.11 0.59 0.04 -1.17 -0.36 0.00 0.00 175.35 174.56 1rml s LEU 27 N -1.76 0.48 0.30 5.43 2.96 -1.25 -3.78 118.68 121.07 1rml s LEU 27 Ca 0.21 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 1rml s LEU 27 Cb -0.11 -0.33 -0.06 0.00 0.50 0.00 0.00 46.19 46.19 1rml s LEU 27 CO 0.12 -0.26 0.59 -0.22 -1.32 0.00 0.00 176.35 175.26 1rml s LEU 28 N 2.05 4.03 -0.08 -0.68 0.20 -1.26 -1.37 118.68 121.57 1rml s LEU 28 Ca 0.04 0.80 -0.04 0.00 0.69 0.00 0.00 54.13 55.61 1rml s LEU 28 Cb -0.14 -3.62 0.03 0.00 -0.43 0.00 0.00 46.19 42.04 1rml s LEU 28 CO -0.06 -0.22 0.18 -0.47 -0.29 0.00 0.00 176.35 175.49 1rml s TYR 29 N -2.11 -0.21 -0.50 5.38 5.04 -1.18 -4.43 117.35 119.33 1rml s TYR 29 Ca 0.45 0.55 -0.18 0.00 -2.44 0.00 0.00 57.07 55.46 1rml s TYR 29 Cb -0.11 -0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.26 1rml s TYR 29 CO 0.30 -0.16 0.56 0.00 -1.34 0.00 0.00 175.55 174.90 1rml n SER 31 N 5.87 0.00 -4.66 0.00 3.41 -0.71 0.24 113.62 117.78 1rml n SER 31 Ca -0.09 0.70 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 1rml n SER 31 Cb 0.45 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1rml n SER 31 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1rml s ASN 32 N -2.90 6.46 0.00 4.04 2.47 -0.89 -0.15 114.94 123.97 1rml s ASN 32 Ca 0.00 2.65 0.00 0.00 0.42 0.00 0.00 52.86 55.93 1rml s ASN 32 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1rml s ASN 32 CO 0.00 -1.05 0.00 0.61 -3.72 0.00 0.00 177.10 172.94 1rml n GLY 33 N 4.52 2.76 3.72 1.21 0.00 -1.26 -4.08 105.19 112.07 1rml n GLY 33 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1rml n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rml n GLY 34 N -2.00 -0.47 3.84 -0.02 0.00 0.14 -4.68 105.19 101.99 1rml n GLY 34 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1rml n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rml s HIS 35 N -3.07 3.38 -0.38 1.61 3.76 -0.94 -4.26 115.29 115.39 1rml s HIS 35 Ca 0.55 1.46 0.04 0.00 -0.15 0.00 0.00 55.06 56.96 1rml s HIS 35 Cb -0.29 -2.83 0.11 0.00 1.11 0.00 0.00 32.58 30.68 1rml s HIS 35 CO 0.68 -0.53 0.10 -0.06 -0.85 0.00 0.00 174.74 174.08 1rml s PHE 36 N -2.63 3.46 0.29 1.40 0.40 0.58 0.91 117.98 122.39 1rml s PHE 36 Ca 0.59 -2.94 -0.14 0.00 -0.60 0.00 0.00 56.93 53.85 1rml s PHE 36 Cb -0.11 -2.79 -0.11 0.00 0.51 0.00 0.00 43.02 40.52 1rml s PHE 36 CO 0.34 -0.90 0.02 1.28 0.70 0.00 0.00 175.22 176.66 1rml n LEU 37 N 4.05 -2.11 -3.76 -0.37 4.77 -1.26 -2.78 117.00 115.54 1rml n LEU 37 Ca 0.04 0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1rml n LEU 37 Cb 0.40 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 1rml n LEU 37 CO 0.24 -2.99 -0.22 0.00 -1.33 0.00 0.00 177.39 173.09 1rml s ARG 38 N -0.69 0.11 -0.32 3.23 1.70 0.19 -4.55 118.95 118.63 1rml s ARG 38 Ca 0.40 0.35 -0.06 0.00 -0.47 0.00 0.00 55.73 55.95 1rml s ARG 38 Cb -0.41 -0.14 0.03 0.00 -0.57 0.00 0.00 34.95 33.86 1rml s ARG 38 CO 0.44 -0.14 0.08 0.42 -1.08 0.00 0.00 175.30 175.01 1rml s ILE 39 N 1.00 3.68 0.15 4.99 1.01 -1.21 -2.76 121.20 128.06 1rml s ILE 39 Ca -0.08 -1.06 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 1rml s ILE 39 Cb -0.10 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 1rml s ILE 39 CO -0.05 -0.09 0.67 -0.76 0.00 0.00 0.00 174.94 174.71 1rml s LEU 40 N 1.40 4.47 0.00 2.97 1.43 -0.78 -4.69 118.68 123.49 1rml s LEU 40 Ca -0.01 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1rml s LEU 40 Cb -0.19 -3.25 0.15 0.00 0.03 0.00 0.00 46.19 42.93 1rml s LEU 40 CO 0.02 0.17 0.86 -0.81 0.23 0.00 0.00 176.35 176.82 1rml n PRO 41 N 1.30 0.75 -0.04 1.29 -0.04 -1.26 -2.35 135.00 134.66 1rml n PRO 41 Ca -0.06 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 1rml n PRO 41 Cb 0.50 -1.05 -0.14 0.00 -0.04 0.00 0.00 33.50 32.77 1rml n PRO 41 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rml n ASP 42 N -0.55 0.58 0.00 3.54 8.00 -1.26 -4.97 116.55 121.89 1rml n ASP 42 Ca 0.02 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1rml n ASP 42 Cb 0.01 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1rml n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rml n GLY 43 N 1.59 1.77 3.30 0.44 0.00 -0.99 -5.12 105.19 106.17 1rml n GLY 43 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1rml n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rml s THR 44 N -2.00 2.10 0.41 2.61 2.01 -1.25 -4.42 115.64 115.09 1rml s THR 44 Ca 0.00 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.00 1rml s THR 44 Cb 0.00 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.70 1rml s THR 44 CO 0.00 0.58 0.11 -0.69 -0.69 0.00 0.00 174.62 173.92 1rml s VAL 45 N -0.40 2.23 -2.14 3.82 1.01 -1.26 -1.87 120.40 121.79 1rml s VAL 45 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1rml s VAL 45 Cb -0.12 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1rml s VAL 45 CO 0.01 -0.02 0.00 -0.90 0.00 0.00 0.00 175.10 174.20 1rml n ASP 46 N -1.12 0.00 -4.28 3.32 5.68 -1.11 -4.78 116.55 114.26 1rml n ASP 46 Ca -0.03 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.07 1rml n ASP 46 Cb 0.65 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.52 1rml n ASP 46 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1rml s GLY 47 N 0.00 1.21 -0.10 6.12 0.00 -1.26 -0.63 107.32 112.66 1rml s GLY 47 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1rml s GLY 47 CO 0.00 -1.43 -0.09 -1.59 0.00 0.00 0.00 173.10 169.99 1rml s THR 48 N -2.10 1.05 0.40 0.90 2.01 -1.12 -4.33 115.64 112.45 1rml s THR 48 Ca 0.12 -0.35 0.25 0.00 0.31 0.00 0.00 61.69 62.02 1rml s THR 48 Cb -0.05 -1.03 0.41 0.00 0.01 0.00 0.00 72.50 71.84 1rml s THR 48 CO 0.04 0.36 1.60 -0.09 -0.69 0.00 0.00 174.62 175.85 1rml h ARG 49 N 7.77 0.07 -3.12 4.92 1.12 -1.83 1.72 114.38 125.02 1rml h ARG 49 Ca -0.31 -0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.31 1rml h ARG 49 Cb 1.15 -0.02 -0.33 0.00 -0.01 0.00 0.00 29.97 30.76 1rml h ARG 49 CO 0.43 0.04 -0.59 -0.51 -3.11 0.00 0.00 179.97 176.24 1rml s ASP 50 N -4.52 0.21 -0.58 -3.80 1.01 -1.26 -4.03 116.67 103.71 1rml s ASP 50 Ca -0.08 0.38 -0.31 0.00 0.71 0.00 0.00 52.55 53.24 1rml s ASP 50 Cb 0.32 0.31 -0.13 0.00 1.01 0.00 0.00 42.92 44.43 1rml s ASP 50 CO 0.80 -0.19 2.41 -2.11 0.21 0.00 0.00 175.17 176.28 1rml n ARG 51 N 4.72 0.76 -2.79 8.23 1.85 -1.26 -4.73 116.66 123.44 1rml n ARG 51 Ca -0.17 0.11 -0.10 0.00 -1.00 0.00 0.00 57.85 56.69 1rml n ARG 51 Cb 0.51 -2.51 0.07 0.00 -1.05 0.00 0.00 32.46 29.48 1rml n ARG 51 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1rml n SER 52 N 12.03 -1.44 -1.32 2.89 3.41 -1.26 -5.13 113.62 122.80 1rml n SER 52 Ca 0.47 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1rml n SER 52 Cb 0.28 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1rml n SER 52 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rml n ASP 53 N 0.09 1.09 0.09 4.04 2.03 -1.26 -5.06 116.55 117.57 1rml n ASP 53 Ca 0.07 -0.85 -0.22 0.00 0.52 0.00 0.00 54.79 54.31 1rml n ASP 53 Cb 0.74 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.00 1rml n ASP 53 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1rml h GLN 54 N 0.00 0.53 -1.07 -0.67 -0.00 -2.00 -3.44 115.11 108.46 1rml h GLN 54 Ca 0.00 -0.77 0.02 0.00 -0.00 0.00 0.00 58.65 57.90 1rml h GLN 54 Cb 0.00 0.27 -0.22 0.00 -0.00 0.00 0.00 27.48 27.53 1rml h GLN 54 CO 0.00 1.35 -0.38 -3.38 -0.00 0.00 0.00 178.83 176.42 1rml s HIS 55 N -2.81 -1.75 -0.09 0.06 0.00 -1.26 -4.99 115.29 104.46 1rml s HIS 55 Ca -0.10 1.11 0.01 0.00 -3.00 0.00 0.00 55.06 53.08 1rml s HIS 55 Cb 0.04 0.31 0.03 0.00 -4.00 0.00 0.00 32.58 28.96 1rml s HIS 55 CO 0.91 -1.05 1.01 0.44 -1.00 0.00 0.00 174.74 175.05 1rml n ILE 56 N 5.41 0.97 -1.42 -5.38 -6.64 -1.26 -3.36 119.36 107.69 1rml n ILE 56 Ca 0.04 -0.98 -0.36 0.00 -1.77 0.00 0.00 62.75 59.68 1rml n ILE 56 Cb 0.53 0.52 0.09 0.00 -1.44 0.00 0.00 39.64 39.34 1rml n ILE 56 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1rml n GLN 57 N -0.38 0.62 -4.15 6.28 3.00 -1.26 -4.19 117.38 117.30 1rml n GLN 57 Ca 0.01 0.27 -0.16 0.00 -0.01 0.00 0.00 57.00 57.12 1rml n GLN 57 Cb 0.26 -2.37 -0.06 0.00 0.00 0.00 0.00 30.24 28.07 1rml n GLN 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rml s LEU 58 N -4.11 1.24 -0.27 1.08 1.02 -1.25 -4.57 118.68 111.83 1rml s LEU 58 Ca 0.76 -1.56 -0.32 0.00 0.02 0.00 0.00 54.13 53.04 1rml s LEU 58 Cb -0.34 1.14 0.17 0.00 0.02 0.00 0.00 46.19 47.18 1rml s LEU 58 CO 0.47 -1.20 1.32 -1.58 0.02 0.00 0.00 176.35 175.38 1rml s GLN 59 N -3.24 0.12 0.33 1.70 2.00 -1.19 -4.52 119.66 114.85 1rml s GLN 59 Ca 0.34 0.00 0.09 0.00 -2.00 0.00 0.00 55.36 53.79 1rml s GLN 59 Cb 0.01 0.06 -0.05 0.00 0.80 0.00 0.00 33.01 33.83 1rml s GLN 59 CO 0.22 -0.04 0.08 -0.51 -0.50 0.00 0.00 175.29 174.53 1rml s LEU 60 N -1.39 3.15 -0.38 3.68 1.43 -1.26 -0.87 118.68 123.04 1rml s LEU 60 Ca 0.09 -0.83 0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1rml s LEU 60 Cb -0.01 -1.60 0.38 0.00 0.03 0.00 0.00 46.19 44.99 1rml s LEU 60 CO -0.06 -0.23 0.93 -0.24 0.23 0.00 0.00 176.35 176.98 1rml n SER 61 N -1.04 0.09 -4.50 2.29 2.88 0.37 -4.78 113.62 108.93 1rml n SER 61 Ca -0.04 -3.00 -0.60 0.00 -1.33 0.00 0.00 58.87 53.90 1rml n SER 61 Cb 0.61 0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 64.06 1rml n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rml n ALA 62 N 0.11 -3.15 0.05 -1.46 0.00 -1.26 -2.49 120.51 112.32 1rml n ALA 62 Ca 0.14 0.57 0.01 0.00 0.00 0.00 0.00 53.44 54.16 1rml n ALA 62 Cb 0.73 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1rml n ALA 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rml n GLU 63 N 2.00 0.61 0.00 0.00 -0.00 -0.97 -4.81 120.64 117.48 1rml n GLU 63 Ca 0.22 -0.47 0.00 0.00 -0.00 0.00 0.00 57.16 56.92 1rml n GLU 63 Cb 0.05 -0.93 0.00 0.00 -0.00 0.00 0.00 31.44 30.56 1rml n GLU 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1rml n SER 64 N -0.14 0.00 -4.48 -1.84 7.64 -0.05 -5.00 113.62 109.76 1rml n SER 64 Ca 0.01 0.00 -0.49 0.00 1.01 0.00 0.00 58.87 59.39 1rml n SER 64 Cb 0.03 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1rml n SER 64 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1rml n VAL 65 N -0.76 1.48 -1.02 0.44 0.24 -1.26 0.11 118.33 117.57 1rml n VAL 65 Ca 0.00 -0.37 -0.01 0.00 -2.04 0.00 0.00 64.34 61.92 1rml n VAL 65 Cb 0.00 -0.31 -0.00 0.00 -1.47 0.00 0.00 33.84 32.05 1rml n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rml n GLY 66 N 1.79 0.37 3.15 7.63 0.00 -0.38 -4.92 105.19 112.82 1rml n GLY 66 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1rml n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rml s GLU 67 N -0.93 0.47 0.26 1.61 2.12 0.31 -4.13 118.70 118.40 1rml s GLU 67 Ca 0.00 0.63 0.04 0.00 0.36 0.00 0.00 54.97 55.99 1rml s GLU 67 Cb 0.00 0.32 -0.06 0.00 0.26 0.00 0.00 34.13 34.66 1rml s GLU 67 CO 0.00 -0.70 0.02 0.14 -0.54 0.00 0.00 175.26 174.18 1rml s VAL 68 N 2.87 1.06 0.41 3.70 -7.23 -0.92 -0.87 120.40 119.42 1rml s VAL 68 Ca 0.15 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 1rml s VAL 68 Cb -0.11 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 1rml s VAL 68 CO -0.22 -0.19 0.10 -0.31 -0.31 0.00 0.00 175.10 174.17 1rml s TYR 69 N -3.40 2.57 -0.12 2.82 2.02 -1.04 0.21 117.35 120.41 1rml s TYR 69 Ca 0.32 -0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1rml s TYR 69 Cb 0.07 -1.85 0.06 0.00 -0.40 0.00 0.00 41.96 39.83 1rml s TYR 69 CO 0.11 0.31 0.26 0.42 -1.57 0.00 0.00 175.55 175.09 1rml s ILE 70 N -2.64 -0.21 -0.17 2.71 1.01 -1.26 0.14 121.20 120.79 1rml s ILE 70 Ca 0.38 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.22 1rml s ILE 70 Cb 0.06 -0.42 0.05 0.00 0.01 0.00 0.00 42.46 42.16 1rml s ILE 70 CO 0.20 0.09 -0.01 -0.75 0.00 0.00 0.00 174.94 174.47 1rml s LYS 71 N 1.79 1.00 -0.66 2.79 2.36 -0.05 -1.87 119.74 125.09 1rml s LYS 71 Ca -0.05 -0.41 -0.24 0.00 -2.55 0.00 0.00 55.97 52.73 1rml s LYS 71 Cb -0.11 -1.91 -0.20 0.00 -1.05 0.00 0.00 37.83 34.56 1rml s LYS 71 CO -0.09 -0.50 1.86 0.45 1.55 0.00 0.00 175.35 178.62 1rml n SER 72 N 4.98 2.24 -4.53 1.43 2.88 -1.15 -3.17 113.62 116.30 1rml n SER 72 Ca -0.10 -2.64 -0.17 0.00 -1.33 0.00 0.00 58.87 54.63 1rml n SER 72 Cb 0.48 -1.06 -0.14 0.00 -0.75 0.00 0.00 64.21 62.73 1rml n SER 72 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1rml n THR 73 N 6.43 0.00 0.00 2.46 5.66 -1.26 -0.70 114.28 126.87 1rml n THR 73 Ca 0.48 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1rml n THR 73 Cb 0.41 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.09 1rml n THR 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1rml n GLU 74 N 7.31 0.00 -0.05 1.09 -0.58 -1.26 -4.73 120.64 122.41 1rml n GLU 74 Ca 0.56 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 57.25 1rml n GLU 74 Cb 0.30 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.08 1rml n GLU 74 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1rml n THR 75 N 0.00 0.76 -0.51 2.62 -1.04 0.13 -5.01 114.28 111.23 1rml n THR 75 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1rml n THR 75 Cb 0.00 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1rml n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rml n GLY 76 N 2.26 0.71 1.11 3.41 0.00 -1.22 -4.99 105.19 106.46 1rml n GLY 76 Ca -0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 1rml n GLY 76 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rml n GLN 77 N -2.51 1.37 -4.16 1.61 6.02 -1.26 -5.03 117.38 113.41 1rml n GLN 77 Ca 0.00 -1.04 -0.17 0.00 -0.01 0.00 0.00 57.00 55.79 1rml n GLN 77 Cb 0.00 0.16 -0.12 0.00 1.02 0.00 0.00 30.24 31.30 1rml n GLN 77 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1rml s TYR 78 N -1.01 1.02 -0.36 1.08 2.02 -1.26 -2.93 117.35 115.91 1rml s TYR 78 Ca 0.06 -0.45 -0.24 0.00 -0.37 0.00 0.00 57.07 56.08 1rml s TYR 78 Cb -0.01 -0.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.98 1rml s TYR 78 CO 0.04 0.01 0.81 -1.17 -1.57 0.00 0.00 175.55 173.67 1rml s LEU 79 N -1.56 4.10 0.22 -1.29 2.96 -0.78 -3.11 118.68 119.23 1rml s LEU 79 Ca -0.04 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1rml s LEU 79 Cb -0.09 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 1rml s LEU 79 CO 0.01 -0.75 0.10 0.00 -1.32 0.00 0.00 176.35 174.40 1rml s ALA 80 N 3.16 1.42 -0.32 5.97 0.00 0.62 -4.60 121.76 128.02 1rml s ALA 80 Ca 0.33 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 1rml s ALA 80 Cb -0.13 1.15 0.10 0.00 0.00 0.00 0.00 23.12 24.25 1rml s ALA 80 CO 0.17 -0.51 0.12 1.41 0.00 0.00 0.00 175.76 176.95 1rml s MET 81 N -4.08 0.68 1.16 0.00 1.75 -1.25 0.20 119.30 117.76 1rml s MET 81 Ca 0.37 -1.09 -0.17 0.00 -1.25 0.00 0.00 55.69 53.55 1rml s MET 81 Cb 0.07 -1.89 0.18 0.00 2.84 0.00 0.00 34.83 36.03 1rml s MET 81 CO 0.12 -1.01 0.34 -0.25 -0.65 0.00 0.00 175.02 173.56 1rml n ASP 82 N 4.77 -2.24 0.14 1.11 8.00 -1.24 -4.65 116.55 122.44 1rml n ASP 82 Ca -0.01 -0.17 0.10 0.00 0.71 0.00 0.00 54.79 55.41 1rml n ASP 82 Cb 0.41 -1.05 0.52 0.00 -0.02 0.00 0.00 41.12 40.98 1rml n ASP 82 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1rml n THR 83 N -4.68 1.14 0.42 -3.53 -2.24 -1.26 -0.02 114.28 104.11 1rml n THR 83 Ca 0.01 0.69 0.13 0.00 -2.27 0.00 0.00 64.05 62.61 1rml n THR 83 Cb 0.60 -1.69 0.49 0.00 -2.10 0.00 0.00 70.33 67.63 1rml n THR 83 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1rml h ASP 84 N 0.00 0.00 -0.01 3.42 3.32 -1.99 -3.46 116.42 117.70 1rml h ASP 84 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1rml h ASP 84 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1rml h ASP 84 CO 0.00 0.00 -0.01 0.61 -1.72 0.00 0.00 179.24 178.12 1rml n GLY 85 N 0.36 0.45 3.23 2.75 0.00 0.97 -3.75 105.19 109.20 1rml n GLY 85 Ca 0.03 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1rml n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rml s LEU 86 N -0.06 3.49 0.09 0.99 0.20 -1.26 -1.91 118.68 120.22 1rml s LEU 86 Ca 0.00 -0.89 -0.34 0.00 0.69 0.00 0.00 54.13 53.58 1rml s LEU 86 Cb 0.00 -1.73 -0.19 0.00 -0.43 0.00 0.00 46.19 43.84 1rml s LEU 86 CO 0.00 -0.17 0.82 0.18 -0.29 0.00 0.00 176.35 176.90 1rml n LEU 87 N 4.72 -0.53 -4.01 -0.68 4.32 -1.26 -3.66 117.00 115.90 1rml n LEU 87 Ca -0.15 1.15 -0.10 0.00 -0.02 0.00 0.00 56.01 56.89 1rml n LEU 87 Cb 0.47 -0.94 -0.05 0.00 -1.62 0.00 0.00 43.42 41.27 1rml n LEU 87 CO 0.28 -2.38 0.16 -0.72 -1.22 0.00 0.00 177.39 173.51 1rml s TYR 88 N -0.46 0.45 0.23 -1.77 1.13 0.55 -4.25 117.35 113.23 1rml s TYR 88 Ca 0.78 -0.80 -0.14 0.00 -1.41 0.00 0.00 57.07 55.50 1rml s TYR 88 Cb -1.11 0.14 -0.08 0.00 -1.10 0.00 0.00 41.96 39.82 1rml s TYR 88 CO 0.56 -0.99 0.63 0.20 -2.51 0.00 0.00 175.55 173.44 1rml s GLY 89 N -3.04 2.40 -0.18 5.49 0.00 -1.26 -0.27 107.32 110.45 1rml s GLY 89 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 1rml s GLY 89 CO 0.10 0.15 0.24 -0.45 0.00 0.00 0.00 173.10 173.14 1rml s SER 90 N -2.05 0.94 0.00 1.64 0.15 -1.18 -4.90 113.70 108.30 1rml s SER 90 Ca 0.46 0.08 0.25 0.00 0.70 0.00 0.00 55.95 57.44 1rml s SER 90 Cb -0.13 0.53 1.48 0.00 -1.71 0.00 0.00 66.02 66.20 1rml s SER 90 CO 0.20 -0.29 1.86 1.67 1.20 0.00 0.00 173.24 177.87 1rml n GLN 91 N 5.33 0.76 -3.86 5.44 7.27 -1.26 -4.11 117.38 126.94 1rml n GLN 91 Ca -0.05 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.69 1rml n GLN 91 Cb 0.50 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.52 1rml n GLN 91 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1rml s THR 92 N -2.04 2.98 -0.66 1.69 -4.23 -1.26 -5.05 115.64 107.07 1rml s THR 92 Ca 0.37 -2.73 -0.27 0.00 -1.18 0.00 0.00 61.69 57.88 1rml s THR 92 Cb 0.17 -3.05 0.01 0.00 1.34 0.00 0.00 72.50 70.97 1rml s THR 92 CO 0.30 -0.75 1.55 -2.16 -0.54 0.00 0.00 174.62 173.02 1rml s PRO 93 N 0.35 2.96 0.00 3.99 0.04 -1.26 -4.48 135.00 136.60 1rml s PRO 93 Ca 0.14 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1rml s PRO 93 Cb -0.22 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1rml s PRO 93 CO -0.04 -2.37 0.00 0.09 0.04 0.00 0.00 177.00 174.72 1rml n ASN 94 N 10.87 0.13 -3.51 6.66 3.02 -1.26 -4.97 115.26 126.19 1rml n ASN 94 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 1rml n ASN 94 Cb 0.50 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.60 1rml n ASN 94 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rml n GLU 95 N 0.00 0.87 0.00 3.52 4.71 -1.26 -2.07 120.64 126.41 1rml n GLU 95 Ca 0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 57.16 55.73 1rml n GLU 95 Cb 0.00 -2.68 0.00 0.00 -1.01 0.00 0.00 31.44 27.75 1rml n GLU 95 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1rml n GLU 96 N 7.11 0.00 -0.03 3.49 2.13 -1.26 -4.76 120.64 127.32 1rml n GLU 96 Ca 0.46 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.17 1rml n GLU 96 Cb 0.37 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.12 1rml n GLU 96 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rml n LEU 98 N -3.99 -2.20 -3.37 0.00 4.77 -1.14 -4.38 117.00 106.68 1rml n LEU 98 Ca -0.03 -0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.64 1rml n LEU 98 Cb 0.59 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1rml n LEU 98 CO 0.48 -2.91 -0.14 -0.36 -1.33 0.00 0.00 177.39 173.13 1rml s PHE 99 N -2.11 -0.63 -0.70 -1.77 0.08 0.56 -4.02 117.98 109.38 1rml s PHE 99 Ca 0.41 0.05 -0.25 0.00 0.12 0.00 0.00 56.93 57.27 1rml s PHE 99 Cb -0.04 -0.34 -0.14 0.00 -0.57 0.00 0.00 43.02 41.94 1rml s PHE 99 CO 0.52 -0.91 2.43 1.28 -0.10 0.00 0.00 175.22 178.44 1rml n LEU 100 N 5.33 1.52 -4.60 -0.37 4.77 -0.24 -2.17 117.00 121.23 1rml n LEU 100 Ca -0.02 -0.74 -0.26 0.00 -0.03 0.00 0.00 56.01 54.96 1rml n LEU 100 Cb 0.48 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.04 1rml n LEU 100 CO 0.01 -1.79 -0.32 -0.70 -1.33 0.00 0.00 177.39 173.25 1rml s GLU 101 N 8.47 1.95 0.00 3.23 -6.30 -1.26 0.37 118.70 125.17 1rml s GLU 101 Ca 1.05 -1.96 0.00 0.00 -2.50 0.00 0.00 54.97 51.56 1rml s GLU 101 Cb -0.37 -1.74 0.00 0.00 0.00 0.00 0.00 34.13 32.02 1rml s GLU 101 CO 0.26 0.05 0.00 2.89 0.02 0.00 0.00 175.26 178.48 1rml n ARG 102 N -0.92 0.00 0.00 4.30 0.00 -1.24 -1.25 116.66 117.54 1rml n ARG 102 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1rml n ARG 102 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.11 1rml n ARG 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1rml n LEU 103 N -0.08 0.00 -0.07 2.89 0.00 -1.26 -4.81 117.00 113.66 1rml n LEU 103 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1rml n LEU 103 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.28 1rml n LEU 103 CO 0.00 0.00 -0.99 1.21 0.00 0.00 0.00 177.39 177.61 1rml n GLU 104 N 0.00 0.68 0.00 1.96 2.13 -1.26 -4.95 120.64 119.20 1rml n GLU 104 Ca 0.00 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1rml n GLU 104 Cb 0.00 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1rml n GLU 104 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1rml n GLU 105 N -3.03 0.00 -2.69 5.31 -0.58 -1.26 -5.08 120.64 113.31 1rml n GLU 105 Ca -0.31 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.37 1rml n GLU 105 Cb 1.08 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 32.03 1rml n GLU 105 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1rml n ASN 106 N 0.00 -1.68 0.00 1.62 5.15 -1.26 -5.00 115.26 114.09 1rml n ASN 106 Ca 0.00 -2.36 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 1rml n ASN 106 Cb 0.00 1.19 0.00 0.00 -0.53 0.00 0.00 39.78 40.44 1rml n ASN 106 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1rml n HIS 107 N -0.28 -1.95 -0.11 1.20 8.25 -1.26 -5.15 115.22 115.92 1rml n HIS 107 Ca -0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 1rml n HIS 107 Cb 0.75 0.39 0.09 0.00 1.12 0.00 0.00 29.99 32.35 1rml n HIS 107 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rml n TYR 108 N -2.67 -2.60 -3.10 4.41 4.01 -1.26 -4.90 117.16 111.05 1rml n TYR 108 Ca 0.00 -0.25 -0.10 0.00 -0.16 0.00 0.00 57.90 57.39 1rml n TYR 108 Cb 0.00 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 38.62 1rml n TYR 108 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1rml s ASN 109 N -2.33 -0.35 -0.59 7.72 -0.87 -1.16 -4.67 114.94 112.69 1rml s ASN 109 Ca 0.20 -1.76 -0.27 0.00 -1.57 0.00 0.00 52.86 49.46 1rml s ASN 109 Cb -0.03 1.18 -0.01 0.00 -0.02 0.00 0.00 41.25 42.37 1rml s ASN 109 CO 0.17 -0.14 1.69 0.42 -2.57 0.00 0.00 177.10 176.67 1rml s THR 110 N 1.04 3.50 0.84 1.60 -4.23 -1.26 -4.72 115.64 112.41 1rml s THR 110 Ca 0.25 0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 60.97 1rml s THR 110 Cb -0.04 -4.13 0.20 0.00 1.34 0.00 0.00 72.50 69.87 1rml s THR 110 CO -0.07 -1.02 1.09 -1.22 -0.54 0.00 0.00 174.62 172.86 1rml n TYR 111 N 11.43 -3.97 -3.37 3.99 4.02 -1.26 -3.70 117.16 124.29 1rml n TYR 111 Ca 0.17 -0.97 0.01 0.00 -0.01 0.00 0.00 57.90 57.10 1rml n TYR 111 Cb 0.51 -0.87 -0.03 0.00 -0.02 0.00 0.00 39.34 38.93 1rml n TYR 111 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1rml s ILE 112 N -3.36 -0.97 -0.65 -0.72 1.01 0.16 -3.51 121.20 113.17 1rml s ILE 112 Ca 0.63 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 61.10 1rml s ILE 112 Cb -0.02 -0.98 -0.15 0.00 0.01 0.00 0.00 42.46 41.32 1rml s ILE 112 CO 0.44 -0.00 1.70 -1.54 0.00 0.00 0.00 174.94 175.54 1rml n SER 113 N 5.43 0.01 0.19 3.58 3.41 -0.61 -1.08 113.62 124.55 1rml n SER 113 Ca -0.06 0.04 0.18 0.00 -0.26 0.00 0.00 58.87 58.78 1rml n SER 113 Cb 0.50 -0.56 0.82 0.00 -0.26 0.00 0.00 64.21 64.71 1rml n SER 113 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1rml h LYS 114 N 7.71 0.00 -0.00 4.33 3.64 -1.82 2.09 116.57 132.51 1rml h LYS 114 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1rml h LYS 114 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1rml h LYS 114 CO 0.93 0.00 -0.06 1.17 -2.27 0.00 0.00 179.45 179.22 1rml n LYS 115 N -3.72 0.60 -1.50 1.90 4.81 -1.26 -3.57 118.16 115.42 1rml n LYS 115 Ca 0.03 -0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.34 1rml n LYS 115 Cb 0.39 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.94 1rml n LYS 115 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1rml n HIS 116 N -1.09 -0.02 0.33 5.64 8.25 0.58 -4.85 115.22 124.07 1rml n HIS 116 Ca 0.15 -0.71 0.06 0.00 -0.26 0.00 0.00 57.72 56.96 1rml n HIS 116 Cb 0.25 0.18 0.26 0.00 1.12 0.00 0.00 29.99 31.80 1rml n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rml n ALA 117 N 0.11 1.45 0.21 -1.41 0.00 0.55 -1.15 120.51 120.26 1rml n ALA 117 Ca -0.07 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1rml n ALA 117 Cb 0.94 -1.19 0.26 0.00 0.00 0.00 0.00 19.45 19.46 1rml n ALA 117 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rml h GLU 118 N 0.00 0.00 -0.17 0.00 4.81 -1.87 -2.96 114.58 114.39 1rml h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rml h GLU 118 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1rml h GLU 118 CO 0.00 0.18 0.00 1.17 -0.73 0.00 0.00 179.01 179.63 1rml n LYS 119 N -3.19 1.63 -2.36 1.92 0.00 -0.30 -4.95 118.16 110.91 1rml n LYS 119 Ca 0.02 -1.65 -0.18 0.00 0.00 0.00 0.00 58.31 56.51 1rml n LYS 119 Cb 0.54 -1.29 -0.01 0.00 0.00 0.00 0.00 35.03 34.26 1rml n LYS 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1rml n ASN 120 N 0.79 -5.17 -4.58 3.14 5.03 -1.02 -4.78 115.26 108.66 1rml n ASN 120 Ca 0.11 0.08 -0.20 0.00 0.87 0.00 0.00 54.58 55.44 1rml n ASN 120 Cb 0.39 -4.35 -0.09 0.00 -1.02 0.00 0.00 39.78 34.72 1rml n ASN 120 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1rml s TRP 121 N -2.87 1.49 0.78 3.10 0.52 -1.11 -4.41 118.94 116.45 1rml s TRP 121 Ca 0.00 1.59 -0.13 0.00 0.02 0.00 0.00 56.10 57.58 1rml s TRP 121 Cb 0.00 -3.59 0.20 0.00 -1.15 0.00 0.00 33.47 28.92 1rml s TRP 121 CO 0.00 -0.94 0.45 1.19 0.02 0.00 0.00 176.95 177.67 1rml n PHE 122 N 17.59 -2.82 -4.04 -1.98 3.72 0.49 -1.57 117.46 128.84 1rml n PHE 122 Ca 0.43 -0.39 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1rml n PHE 122 Cb 0.47 -0.70 -0.15 0.00 -0.94 0.00 0.00 39.48 38.15 1rml n PHE 122 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rml s VAL 123 N -1.57 2.05 -0.08 -4.37 0.11 -1.23 -4.55 120.40 110.76 1rml s VAL 123 Ca 0.34 -1.59 -0.30 0.00 -2.93 0.00 0.00 61.98 57.50 1rml s VAL 123 Cb -0.06 -2.21 0.09 0.00 -1.53 0.00 0.00 36.38 32.67 1rml s VAL 123 CO 0.29 -0.07 0.79 -0.83 -3.33 0.00 0.00 175.10 171.94 1rml s GLY 124 N 1.15 -0.47 -0.21 6.54 0.00 -1.26 -4.49 107.32 108.57 1rml s GLY 124 Ca -0.07 1.52 -0.07 0.00 0.00 0.00 0.00 44.72 46.09 1rml s GLY 124 CO -0.05 0.94 0.06 1.08 0.00 0.00 0.00 173.10 175.12 1rml s LEU 125 N -1.25 3.59 0.01 0.66 1.43 -1.25 -3.02 118.68 118.84 1rml s LEU 125 Ca -0.07 -0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 1rml s LEU 125 Cb -0.00 -1.93 -0.15 0.00 0.03 0.00 0.00 46.19 44.14 1rml s LEU 125 CO 0.06 0.08 0.78 1.17 0.23 0.00 0.00 176.35 178.66 1rml n LYS 126 N 4.17 0.00 -0.58 1.70 4.81 0.23 -4.59 118.16 123.90 1rml n LYS 126 Ca -0.16 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.11 1rml n LYS 126 Cb 0.52 -1.10 -0.02 0.00 0.02 0.00 0.00 35.03 34.45 1rml n LYS 126 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1rml n LYS 127 N 1.10 1.62 0.00 1.64 2.85 -1.26 -2.13 118.16 121.99 1rml n LYS 127 Ca 0.15 -1.21 0.00 0.00 -1.05 0.00 0.00 58.31 56.20 1rml n LYS 127 Cb 0.07 -2.32 0.00 0.00 -0.65 0.00 0.00 35.03 32.13 1rml n LYS 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1rml n ASN 128 N 4.26 0.00 0.00 -5.58 4.13 -1.26 -4.80 115.26 112.01 1rml n ASN 128 Ca 0.35 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1rml n ASN 128 Cb 0.12 0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1rml n ASN 128 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rml n GLY 129 N -0.98 -0.09 0.00 7.41 0.00 -0.90 -4.89 105.19 105.73 1rml n GLY 129 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1rml n GLY 129 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rml n SER 130 N 0.00 0.00 -3.47 1.61 2.88 -1.25 -4.96 113.62 108.43 1rml n SER 130 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1rml n SER 130 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.71 1rml n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rml n LYS 132 N -4.45 2.31 -3.22 0.00 3.00 -1.17 -3.88 118.16 110.77 1rml n LYS 132 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.40 1rml n LYS 132 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.52 1rml n LYS 132 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1rml s ARG 133 N 0.88 0.50 0.00 1.64 0.52 -1.25 -4.92 118.95 116.30 1rml s ARG 133 Ca 0.00 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 1rml s ARG 133 Cb 0.00 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.49 1rml s ARG 133 CO 0.00 -1.03 0.00 0.41 0.02 0.00 0.00 175.30 174.70 1rml n GLY 134 N 5.39 0.00 2.43 -3.53 0.00 -0.80 0.21 105.19 108.89 1rml n GLY 134 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1rml n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rml n PRO 135 N 0.00 2.58 0.00 1.61 -0.04 -1.26 -2.84 135.00 135.05 1rml n PRO 135 Ca 0.00 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1rml n PRO 135 Cb 0.00 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 1rml n PRO 135 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1rml n ARG 136 N 3.74 0.00 -3.09 0.54 0.63 0.56 -5.06 116.66 113.98 1rml n ARG 136 Ca 0.55 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 57.29 1rml n ARG 136 Cb 0.25 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.13 1rml n ARG 136 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1rml n THR 137 N 0.00 0.62 -5.16 5.15 5.66 -1.13 -3.96 114.28 115.46 1rml n THR 137 Ca 0.00 -4.71 -0.32 0.00 -3.05 0.00 0.00 64.05 55.97 1rml n THR 137 Cb 0.00 -0.46 -0.16 0.00 -1.55 0.00 0.00 70.33 68.16 1rml n THR 137 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1rml s HIS 138 N -2.71 2.53 0.00 1.09 3.76 -1.26 0.19 115.29 118.88 1rml s HIS 138 Ca 0.41 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1rml s HIS 138 Cb 0.34 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.39 1rml s HIS 138 CO -0.09 -0.20 0.00 2.48 -0.85 0.00 0.00 174.74 176.08 1rml n TYR 139 N 3.02 -1.28 0.00 1.40 4.11 -1.26 -4.84 117.16 118.31 1rml n TYR 139 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1rml n TYR 139 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1rml n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1rml n GLY 140 N 0.00 0.12 0.00 -7.48 0.00 -1.26 -5.04 105.19 91.53 1rml n GLY 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rml n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rml n GLN 141 N 0.00 0.00 -0.56 1.61 3.00 -1.26 -5.06 117.38 115.11 1rml n GLN 141 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1rml n GLN 141 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 1rml n GLN 141 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1rml n LYS 142 N 0.00 0.00 0.00 -1.09 0.00 -1.26 -4.92 118.16 110.89 1rml n LYS 142 Ca 0.00 -0.28 0.12 0.00 -0.00 0.00 0.00 58.31 58.15 1rml n LYS 142 Cb 0.00 0.18 0.59 0.00 -0.00 0.00 0.00 35.03 35.80 1rml n LYS 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rml n ALA 143 N 0.00 2.20 0.17 0.58 0.00 -1.26 -2.10 120.51 120.09 1rml n ALA 143 Ca -0.08 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.28 1rml n ALA 143 Cb 0.45 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1rml n ALA 143 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rml n ILE 144 N -1.30 0.00 -1.53 0.00 -5.35 -1.26 -3.94 119.36 105.97 1rml n ILE 144 Ca 0.11 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 1rml n ILE 144 Cb 0.20 0.88 -0.10 0.00 -1.74 0.00 0.00 39.64 38.87 1rml n ILE 144 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1rml n LEU 145 N -1.22 1.12 -4.64 7.28 7.94 -0.97 -4.38 117.00 122.13 1rml n LEU 145 Ca 0.00 -2.16 -0.40 0.00 -1.11 0.00 0.00 56.01 52.34 1rml n LEU 145 Cb 0.08 -1.62 -0.06 0.00 0.53 0.00 0.00 43.42 42.35 1rml n LEU 145 CO 0.09 -3.28 0.41 -0.36 -1.11 0.00 0.00 177.39 173.14 1rml s PHE 146 N 15.35 3.32 -0.34 1.96 0.08 -1.26 -1.73 117.98 135.36 1rml s PHE 146 Ca 0.80 0.89 -0.03 0.00 0.12 0.00 0.00 56.93 58.71 1rml s PHE 146 Cb -0.08 -2.84 0.07 0.00 -0.57 0.00 0.00 43.02 39.59 1rml s PHE 146 CO 0.16 -0.27 0.07 -1.17 -0.10 0.00 0.00 175.22 173.91 1rml s LEU 147 N 2.31 4.37 -0.17 -0.37 1.98 -0.64 -3.00 118.68 123.16 1rml s LEU 147 Ca 0.28 -1.49 -0.29 0.00 -2.89 0.00 0.00 54.13 49.74 1rml s LEU 147 Cb -0.16 -1.77 -0.01 0.00 0.66 0.00 0.00 46.19 44.91 1rml s LEU 147 CO 0.09 -0.35 1.28 -2.16 -1.89 0.00 0.00 176.35 173.31 1rml s PRO 148 N 1.23 4.22 -0.59 0.98 0.04 -1.26 -3.09 135.00 136.53 1rml s PRO 148 Ca -0.00 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.76 1rml s PRO 148 Cb -0.21 -3.78 0.22 0.00 0.04 0.00 0.00 34.50 30.78 1rml s PRO 148 CO -0.02 -0.73 0.60 1.47 0.04 0.00 0.00 177.00 178.37 1rml n LEU 149 N 6.67 2.52 -4.79 -3.56 -0.00 -0.47 -5.01 117.00 112.35 1rml n LEU 149 Ca 0.14 -5.14 -0.29 0.00 -0.00 0.00 0.00 56.01 50.71 1rml n LEU 149 Cb 0.45 -0.34 0.12 0.00 -0.00 0.00 0.00 43.42 43.65 1rml n LEU 149 CO 0.56 1.96 0.71 -2.16 -0.00 0.00 0.00 177.39 178.47 1rml s PRO 150 N -1.73 1.39 -0.23 1.47 0.04 -1.26 -3.77 135.00 130.91 1rml s PRO 150 Ca 0.34 0.38 0.09 0.00 0.04 0.00 0.00 61.00 61.85 1rml s PRO 150 Cb 0.09 -1.86 0.28 0.00 0.04 0.00 0.00 34.50 33.05 1rml s PRO 150 CO -0.09 -2.04 1.26 1.33 0.04 0.00 0.00 177.00 177.50 1rml n VAL 151 N -3.68 0.00 -1.33 -0.36 0.24 0.13 -4.91 118.33 108.42 1rml n VAL 151 Ca 0.07 -0.67 -0.32 0.00 -2.04 0.00 0.00 64.34 61.37 1rml n VAL 151 Cb 0.58 0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 33.62 1rml n VAL 151 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1rml n SER 152 N -1.05 -0.15 -1.02 -1.34 2.88 -0.87 -4.64 113.62 107.43 1rml n SER 152 Ca -0.16 -0.01 0.04 0.00 -1.33 0.00 0.00 58.87 57.42 1rml n SER 152 Cb 0.77 -0.73 0.08 0.00 -0.75 0.00 0.00 64.21 63.59 1rml n SER 152 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1rml n SER 153 N 8.18 1.17 0.00 -3.46 3.41 -1.26 -5.07 113.62 116.58 1rml n SER 153 Ca 0.59 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1rml n SER 153 Cb 0.05 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21