#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 -0.04 -2.25 1.97 0.13 -1.95 -2.36 132.00 127.50 1rml h PRO 25 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1rml h PRO 25 Cb 0.00 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 30.95 1rml h PRO 25 CO 0.00 0.63 0.08 0.21 -0.23 0.00 0.00 178.00 178.69 1rml s LYS 26 N -3.13 0.97 -0.29 0.86 2.36 -1.26 -2.46 119.74 116.80 1rml s LYS 26 Ca -0.16 0.15 0.02 0.00 -2.55 0.00 0.00 55.97 53.43 1rml s LYS 26 Cb -0.01 0.45 0.16 0.00 -1.05 0.00 0.00 37.83 37.39 1rml s LYS 26 CO 0.61 -0.30 0.41 -0.48 1.55 0.00 0.00 175.35 177.15 1rml s LEU 27 N -1.23 -0.79 1.02 5.43 0.05 -1.26 -4.26 118.68 117.64 1rml s LEU 27 Ca -0.12 -0.34 -0.12 0.00 0.05 0.00 0.00 54.13 53.61 1rml s LEU 27 Cb -0.01 1.12 0.20 0.00 -2.05 0.00 0.00 46.19 45.46 1rml s LEU 27 CO 0.09 -0.35 1.08 -0.22 -0.55 0.00 0.00 176.35 176.39 1rml s LEU 28 N 2.55 1.57 -0.29 1.48 0.20 -1.26 -3.19 118.68 119.73 1rml s LEU 28 Ca 0.10 1.41 -0.13 0.00 0.69 0.00 0.00 54.13 56.20 1rml s LEU 28 Cb -0.13 -3.57 0.11 0.00 -0.43 0.00 0.00 46.19 42.17 1rml s LEU 28 CO -0.29 -3.37 0.68 -0.47 -0.29 0.00 0.00 176.35 172.61 1rml s TYR 29 N -2.78 -1.21 0.31 5.38 5.04 -1.00 -4.66 117.35 118.43 1rml s TYR 29 Ca 0.66 2.21 -0.27 0.00 -2.44 0.00 0.00 57.07 57.23 1rml s TYR 29 Cb -0.21 0.72 -0.10 0.00 0.35 0.00 0.00 41.96 42.73 1rml s TYR 29 CO 0.60 -0.60 0.96 0.00 -1.34 0.00 0.00 175.55 175.16 1rml n SER 31 N 0.77 0.00 0.14 0.00 3.41 -0.45 -1.99 113.62 115.50 1rml n SER 31 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.57 1rml n SER 31 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 1rml n SER 31 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1rml h ASN 32 N 0.00 -0.30 -0.95 4.04 -1.24 -1.86 -2.89 115.58 112.38 1rml h ASN 32 Ca 0.00 0.01 0.35 0.00 0.71 0.00 0.00 56.30 57.37 1rml h ASN 32 Cb 0.00 0.08 -0.12 0.00 0.73 0.00 0.00 38.32 39.01 1rml h ASN 32 CO 0.00 -0.19 0.58 0.61 -1.29 0.00 0.00 177.43 177.14 1rml n GLY 33 N -0.74 -0.62 2.71 1.57 0.00 -1.26 -4.67 105.19 102.18 1rml n GLY 33 Ca -0.04 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.32 1.49 3.89 -0.02 0.00 -0.84 -4.75 105.19 103.64 1rml n GLY 34 Ca 0.31 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.33 3.56 -0.39 1.61 3.76 -1.26 -4.34 115.29 115.90 1rml s HIS 35 Ca 0.00 0.97 0.04 0.00 -0.15 0.00 0.00 55.06 55.91 1rml s HIS 35 Cb 0.00 -2.42 0.11 0.00 1.11 0.00 0.00 32.58 31.37 1rml s HIS 35 CO 0.00 -0.34 0.11 -0.06 -0.85 0.00 0.00 174.74 173.60 1rml s PHE 36 N -2.78 3.53 0.35 1.40 0.40 0.56 -0.34 117.98 121.10 1rml s PHE 36 Ca 0.50 -3.01 -0.23 0.00 -0.60 0.00 0.00 56.93 53.58 1rml s PHE 36 Cb -0.10 -2.85 -0.16 0.00 0.51 0.00 0.00 43.02 40.41 1rml s PHE 36 CO 0.45 -0.89 0.21 1.28 0.70 0.00 0.00 175.22 176.97 1rml n LEU 37 N 3.95 -2.36 -3.90 -0.37 4.77 -1.26 -3.08 117.00 114.75 1rml n LEU 37 Ca 0.04 0.90 -0.12 0.00 -0.03 0.00 0.00 56.01 56.80 1rml n LEU 37 Cb 0.39 -0.91 -0.14 0.00 -2.33 0.00 0.00 43.42 40.44 1rml n LEU 37 CO 0.25 -3.84 -0.37 0.00 -1.33 0.00 0.00 177.39 172.10 1rml s ARG 38 N -1.02 0.11 -0.17 3.23 1.70 -0.01 -4.64 118.95 118.15 1rml s ARG 38 Ca 0.61 -0.10 0.01 0.00 -0.47 0.00 0.00 55.73 55.77 1rml s ARG 38 Cb -0.71 -0.06 0.02 0.00 -0.57 0.00 0.00 34.95 33.63 1rml s ARG 38 CO 0.61 0.01 -0.20 -1.50 -1.08 0.00 0.00 175.30 173.14 1rml s ILE 39 N -0.19 2.03 -0.03 4.99 2.07 -1.23 -2.63 121.20 126.21 1rml s ILE 39 Ca -0.01 -0.93 -0.15 0.00 -1.41 0.00 0.00 60.65 58.15 1rml s ILE 39 Cb -0.01 -1.83 -0.05 0.00 0.13 0.00 0.00 42.46 40.69 1rml s ILE 39 CO -0.00 0.54 0.39 -0.76 -1.91 0.00 0.00 174.94 173.19 1rml s LEU 40 N 1.23 4.43 0.00 8.50 1.43 -0.38 -4.63 118.68 129.25 1rml s LEU 40 Ca 0.03 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1rml s LEU 40 Cb -0.13 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1rml s LEU 40 CO -0.11 0.27 0.74 -0.81 0.23 0.00 0.00 176.35 176.67 1rml n PRO 41 N 2.19 0.75 -0.03 1.29 -0.04 -1.26 -2.34 135.00 135.56 1rml n PRO 41 Ca -0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.27 1rml n PRO 41 Cb 0.52 -1.01 -0.13 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.48 0.57 0.00 3.54 8.00 -1.26 -4.96 116.55 121.96 1rml n ASP 42 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1rml n ASP 42 Cb 0.01 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 1.55 1.99 3.23 0.44 0.00 -0.99 -5.13 105.19 106.27 1rml n GLY 43 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 1.61 0.30 2.61 2.01 -1.24 -4.81 115.64 114.12 1rml s THR 44 Ca 0.00 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.05 1rml s THR 44 Cb 0.00 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 71.08 1rml s THR 44 CO 0.00 0.32 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.51 1rml s VAL 45 N -0.63 1.71 -1.73 3.82 1.01 -1.25 -1.25 120.40 122.06 1rml s VAL 45 Ca 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.93 1rml s VAL 45 Cb -0.08 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1rml s VAL 45 CO 0.00 -0.24 0.00 -0.90 0.00 0.00 0.00 175.10 173.96 1rml n ASP 46 N -0.64 0.00 -4.41 3.32 5.68 -1.08 -4.85 116.55 114.57 1rml n ASP 46 Ca -0.05 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.04 1rml n ASP 46 Cb 0.64 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.51 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 1.82 -0.07 6.12 0.00 -1.26 -0.83 107.32 113.10 1rml s GLY 47 Ca 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 44.72 42.78 1rml s GLY 47 CO 0.00 -1.79 0.13 -1.59 0.00 0.00 0.00 173.10 169.85 1rml s THR 48 N -3.20 -0.16 0.60 0.90 2.01 -1.18 -4.57 115.64 110.05 1rml s THR 48 Ca 0.31 0.31 0.28 0.00 0.31 0.00 0.00 61.69 62.89 1rml s THR 48 Cb 0.06 -0.24 0.39 0.00 0.01 0.00 0.00 72.50 72.72 1rml s THR 48 CO 0.12 0.13 1.55 -0.09 -0.69 0.00 0.00 174.62 175.64 1rml h ARG 49 N 7.96 0.00 -2.34 4.92 1.12 -1.89 1.65 114.38 125.80 1rml h ARG 49 Ca -0.24 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.58 1rml h ARG 49 Cb 1.12 0.00 -0.24 0.00 -0.01 0.00 0.00 29.97 30.84 1rml h ARG 49 CO 0.25 0.00 -0.17 -0.51 -3.11 0.00 0.00 179.97 176.44 1rml s ASP 50 N -4.15 -0.70 -0.88 -3.80 1.11 -1.26 -4.13 116.67 102.85 1rml s ASP 50 Ca -0.03 1.19 -0.19 0.00 0.18 0.00 0.00 52.55 53.70 1rml s ASP 50 Cb 0.15 1.14 -0.23 0.00 1.07 0.00 0.00 42.92 45.04 1rml s ASP 50 CO 0.50 -0.22 2.32 -2.11 1.18 0.00 0.00 175.17 176.84 1rml n ARG 51 N 4.43 0.29 -2.65 8.23 0.00 -1.26 -4.63 116.66 121.07 1rml n ARG 51 Ca -0.20 -0.33 -0.09 0.00 -0.00 0.00 0.00 57.85 57.22 1rml n ARG 51 Cb 0.56 -2.26 0.03 0.00 -0.00 0.00 0.00 32.46 30.79 1rml n ARG 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1rml n SER 52 N 11.78 2.09 -2.36 2.89 3.41 -1.26 -5.08 113.62 125.08 1rml n SER 52 Ca 0.58 -2.68 -0.04 0.00 -0.26 0.00 0.00 58.87 56.46 1rml n SER 52 Cb 0.27 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 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 -0.32 2.18 0.08 4.04 2.03 -1.26 -5.06 116.55 118.23 1rml n ASP 53 Ca 0.14 -1.30 -0.23 0.00 0.52 0.00 0.00 54.79 53.92 1rml n ASP 53 Cb 0.81 0.05 -0.15 0.00 -0.72 0.00 0.00 41.12 41.10 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 0.39 -1.38 -0.67 -0.00 -1.98 -3.45 115.11 108.04 1rml h GLN 54 Ca -0.06 -0.67 -0.09 0.00 -0.00 0.00 0.00 58.65 57.83 1rml h GLN 54 Cb 0.17 0.25 -0.25 0.00 -0.00 0.00 0.00 27.48 27.66 1rml h GLN 54 CO 0.09 1.31 -0.47 -3.38 -0.00 0.00 0.00 178.83 176.39 1rml s HIS 55 N -2.58 -1.41 -0.25 0.06 -3.43 -1.26 -4.99 115.29 101.43 1rml s HIS 55 Ca -0.15 0.66 0.16 0.00 -0.80 0.00 0.00 55.06 54.93 1rml s HIS 55 Cb 0.05 0.06 0.41 0.00 -1.43 0.00 0.00 32.58 31.68 1rml s HIS 55 CO 0.86 -1.04 1.31 0.44 -2.00 0.00 0.00 174.74 174.31 1rml n ILE 56 N 5.36 1.95 -0.98 -5.38 -0.00 -1.26 -3.50 119.36 115.55 1rml n ILE 56 Ca 0.03 -1.81 -0.29 0.00 -0.00 0.00 0.00 62.75 60.67 1rml n ILE 56 Cb 0.52 -0.11 0.18 0.00 -0.00 0.00 0.00 39.64 40.22 1rml n ILE 56 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 1rml s GLN 57 N -2.51 0.49 0.24 6.28 1.11 -1.26 -4.36 119.66 119.65 1rml s GLN 57 Ca 0.35 0.83 -0.06 0.00 0.01 0.00 0.00 55.36 56.48 1rml s GLN 57 Cb 0.28 -1.72 0.03 0.00 -1.01 0.00 0.00 33.01 30.58 1rml s GLN 57 CO 0.08 -2.77 0.43 1.28 0.01 0.00 0.00 175.29 174.32 1rml n LEU 58 N -4.25 0.00 -3.65 2.90 4.77 -1.26 -4.45 117.00 111.07 1rml n LEU 58 Ca 0.06 -1.68 -0.02 0.00 -0.03 0.00 0.00 56.01 54.34 1rml n LEU 58 Cb 0.55 2.11 -0.07 0.00 -2.33 0.00 0.00 43.42 43.69 1rml n LEU 58 CO 0.56 -0.49 0.84 -1.58 -1.33 0.00 0.00 177.39 175.39 1rml s GLN 59 N -2.22 0.26 0.29 3.23 0.74 -0.82 -4.35 119.66 116.79 1rml s GLN 59 Ca 0.13 0.40 0.05 0.00 0.05 0.00 0.00 55.36 55.99 1rml s GLN 59 Cb -0.02 0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.14 1rml s GLN 59 CO 0.09 -0.05 0.42 -0.51 -0.55 0.00 0.00 175.29 174.70 1rml s LEU 60 N 0.95 4.16 -0.36 3.68 1.43 -1.26 0.19 118.68 127.46 1rml s LEU 60 Ca -0.05 0.02 0.13 0.00 -1.03 0.00 0.00 54.13 53.21 1rml s LEU 60 Cb -0.04 -2.87 0.41 0.00 0.03 0.00 0.00 46.19 43.72 1rml s LEU 60 CO -0.12 -0.23 1.01 -0.24 0.23 0.00 0.00 176.35 177.00 1rml n SER 61 N -1.54 0.16 -4.57 2.29 2.88 0.54 -4.78 113.62 108.59 1rml n SER 61 Ca -0.05 -2.82 -0.61 0.00 -1.33 0.00 0.00 58.87 54.05 1rml n SER 61 Cb 0.57 0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.06 -3.01 -0.06 -1.46 0.00 -1.26 -2.74 120.51 111.93 1rml n ALA 62 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1rml n ALA 62 Cb 0.78 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 2.19 -0.53 0.00 0.00 -0.00 -1.19 -4.82 120.64 116.29 1rml n GLU 63 Ca 0.23 -0.58 0.00 0.00 -0.00 0.00 0.00 57.16 56.81 1rml n GLU 63 Cb 0.05 -0.97 0.00 0.00 -0.00 0.00 0.00 31.44 30.51 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 -0.05 0.00 -3.70 -1.84 7.64 -0.87 -5.03 113.62 109.77 1rml n SER 64 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1rml n SER 64 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.00 0.34 -0.99 0.44 0.24 -1.26 -0.01 118.33 117.09 1rml n VAL 65 Ca 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1rml n VAL 65 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 2.08 0.26 3.15 7.63 0.00 -1.18 -4.88 105.19 112.24 1rml n GLY 66 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.99 0.21 0.28 1.61 2.12 0.98 -3.61 118.70 119.29 1rml s GLU 67 Ca 0.00 0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.68 1rml s GLU 67 Cb 0.00 0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.49 1rml s GLU 67 CO 0.00 -0.29 -0.02 0.14 -0.54 0.00 0.00 175.26 174.55 1rml s VAL 68 N 2.94 1.41 0.34 3.70 -7.23 -1.02 -2.04 120.40 118.50 1rml s VAL 68 Ca 0.10 -2.07 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1rml s VAL 68 Cb -0.08 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1rml s VAL 68 CO -0.16 -0.25 0.18 -0.31 -0.31 0.00 0.00 175.10 174.25 1rml s TYR 69 N -3.16 2.76 -0.08 2.82 2.02 -1.11 0.18 117.35 120.78 1rml s TYR 69 Ca 0.31 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1rml s TYR 69 Cb 0.05 -1.68 0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1rml s TYR 69 CO 0.12 0.30 0.17 0.42 -1.57 0.00 0.00 175.55 174.99 1rml s ILE 70 N -2.39 -0.12 -0.10 2.71 1.01 -1.26 0.20 121.20 121.24 1rml s ILE 70 Ca 0.38 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1rml s ILE 70 Cb -0.03 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.16 1rml s ILE 70 CO 0.24 0.09 -0.14 -0.75 0.00 0.00 0.00 174.94 174.38 1rml s LYS 71 N 1.54 2.09 -0.64 2.79 2.36 0.50 -1.13 119.74 127.23 1rml s LYS 71 Ca -0.06 -0.52 -0.24 0.00 -2.55 0.00 0.00 55.97 52.60 1rml s LYS 71 Cb -0.12 -1.79 -0.21 0.00 -1.05 0.00 0.00 37.83 34.67 1rml s LYS 71 CO -0.07 -0.06 1.85 0.45 1.55 0.00 0.00 175.35 179.08 1rml n SER 72 N 4.19 2.17 -4.53 1.43 2.88 -1.13 -1.94 113.62 116.69 1rml n SER 72 Ca -0.19 -2.63 -0.16 0.00 -1.33 0.00 0.00 58.87 54.56 1rml n SER 72 Cb 0.51 -1.06 -0.12 0.00 -0.75 0.00 0.00 64.21 62.79 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 6.58 0.00 0.00 2.46 5.66 -1.26 -1.95 114.28 125.77 1rml n THR 73 Ca 0.48 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rml n THR 73 Cb 0.42 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 1rml n THR 73 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1rml n GLU 74 N 7.63 0.00 0.00 1.09 4.07 -1.26 -4.59 120.64 127.58 1rml n GLU 74 Ca 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1rml n GLU 74 Cb 0.34 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.72 1rml n GLU 74 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1rml n THR 75 N 0.00 0.00 -1.95 6.31 -2.24 -0.82 -5.07 114.28 110.51 1rml n THR 75 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1rml n THR 75 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1rml n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rml n GLY 76 N 4.32 -0.46 0.00 3.38 0.00 -1.26 -5.11 105.19 106.06 1rml n GLY 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rml n GLY 76 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rml n GLN 77 N -0.08 1.59 -4.21 1.61 -0.06 -1.26 -5.01 117.38 109.95 1rml n GLN 77 Ca -0.03 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.85 1rml n GLN 77 Cb 0.40 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.48 1rml n GLN 77 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1rml s TYR 78 N -1.10 1.10 -0.15 3.69 1.51 -1.26 -2.82 117.35 118.32 1rml s TYR 78 Ca 0.00 -1.16 -0.08 0.00 -1.01 0.00 0.00 57.07 54.83 1rml s TYR 78 Cb 0.00 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1rml s TYR 78 CO 0.00 -0.39 0.11 -1.17 -1.11 0.00 0.00 175.55 173.00 1rml s LEU 79 N -3.14 4.17 0.00 -1.29 2.96 -0.29 -3.26 118.68 117.84 1rml s LEU 79 Ca 0.27 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1rml s LEU 79 Cb 0.07 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1rml s LEU 79 CO 0.05 0.29 0.00 0.00 -1.32 0.00 0.00 176.35 175.37 1rml n ALA 80 N 2.77 0.00 -3.23 5.97 0.00 0.58 -4.46 120.51 122.13 1rml n ALA 80 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1rml n ALA 80 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1rml n ALA 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1rml s MET 81 N -0.59 0.78 1.01 0.00 1.75 -1.26 -1.57 119.30 119.41 1rml s MET 81 Ca 0.00 -0.72 -0.15 0.00 -1.25 0.00 0.00 55.69 53.57 1rml s MET 81 Cb 0.00 -0.35 0.11 0.00 2.84 0.00 0.00 34.83 37.43 1rml s MET 81 CO 0.00 -1.22 0.06 -0.25 -0.65 0.00 0.00 175.02 172.95 1rml n ASP 82 N 4.08 -2.81 0.11 1.11 8.00 -1.25 -4.59 116.55 121.20 1rml n ASP 82 Ca 0.13 -0.27 0.08 0.00 0.71 0.00 0.00 54.79 55.44 1rml n ASP 82 Cb 0.51 -0.77 0.41 0.00 -0.02 0.00 0.00 41.12 41.25 1rml n ASP 82 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1rml n THR 83 N -4.25 1.23 0.00 -3.53 -1.04 -1.26 -0.76 114.28 104.68 1rml n THR 83 Ca 0.04 0.56 0.01 0.00 -2.04 0.00 0.00 64.05 62.61 1rml n THR 83 Cb 0.43 -1.53 0.19 0.00 -1.82 0.00 0.00 70.33 67.60 1rml n THR 83 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1rml n ASP 84 N -2.01 3.42 -2.27 8.00 -0.08 -1.26 -4.76 116.55 117.59 1rml n ASP 84 Ca -0.00 -2.54 0.00 0.00 -1.51 0.00 0.00 54.79 50.74 1rml n ASP 84 Cb 0.07 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 42.92 1rml n ASP 84 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rml n GLY 85 N 0.20 -0.44 3.27 0.27 0.00 0.07 0.20 105.19 108.76 1rml n GLY 85 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.45 4.92 -0.49 0.99 0.20 -1.26 -2.12 118.68 116.48 1rml s LEU 86 Ca 0.00 -1.39 -0.44 0.00 0.69 0.00 0.00 54.13 52.98 1rml s LEU 86 Cb 0.00 -1.96 -0.19 0.00 -0.43 0.00 0.00 46.19 43.61 1rml s LEU 86 CO 0.00 -0.47 1.85 0.18 -0.29 0.00 0.00 176.35 177.61 1rml n LEU 87 N 4.89 0.94 -4.14 -0.68 4.32 -1.26 -3.77 117.00 117.30 1rml n LEU 87 Ca -0.10 0.90 -0.11 0.00 -0.02 0.00 0.00 56.01 56.67 1rml n LEU 87 Cb 0.44 -0.87 -0.09 0.00 -1.62 0.00 0.00 43.42 41.27 1rml n LEU 87 CO 0.37 -0.78 -0.17 -0.72 -1.22 0.00 0.00 177.39 174.87 1rml s TYR 88 N 4.51 0.93 0.20 -1.77 1.13 -0.61 -3.95 117.35 117.78 1rml s TYR 88 Ca 1.11 -1.20 0.11 0.00 -1.41 0.00 0.00 57.07 55.67 1rml s TYR 88 Cb -1.47 -0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 38.96 1rml s TYR 88 CO 0.72 -0.68 -0.23 0.20 -2.51 0.00 0.00 175.55 173.04 1rml s GLY 89 N -3.10 1.71 0.10 5.49 0.00 -1.20 0.22 107.32 110.52 1rml s GLY 89 Ca 0.32 -1.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 1rml s GLY 89 CO 0.09 -1.69 0.33 -1.35 0.00 0.00 0.00 173.10 170.48 1rml s SER 90 N -2.76 -0.13 -0.29 1.64 1.04 -1.25 -4.88 113.70 107.08 1rml s SER 90 Ca 0.21 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.28 1rml s SER 90 Cb -0.07 0.42 0.23 0.00 0.10 0.00 0.00 66.02 66.69 1rml s SER 90 CO 0.10 -0.77 1.92 1.67 0.98 0.00 0.00 173.24 177.14 1rml n GLN 91 N -0.01 1.75 -3.44 4.02 7.27 -1.26 -4.15 117.38 121.57 1rml n GLN 91 Ca -0.16 -1.51 -0.24 0.00 0.07 0.00 0.00 57.00 55.16 1rml n GLN 91 Cb 0.62 -1.59 -0.11 0.00 2.41 0.00 0.00 30.24 31.57 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 -2.13 -0.12 -0.54 1.69 -4.23 -1.26 -5.10 115.64 103.96 1rml s THR 92 Ca 0.30 -1.14 -0.28 0.00 -1.18 0.00 0.00 61.69 59.39 1rml s THR 92 Cb 0.24 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 73.14 1rml s THR 92 CO 0.01 -0.74 1.48 -2.16 -0.54 0.00 0.00 174.62 172.66 1rml s PRO 93 N 1.56 3.27 0.00 3.99 0.04 -1.26 -4.39 135.00 138.21 1rml s PRO 93 Ca 0.15 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1rml s PRO 93 Cb -0.18 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1rml s PRO 93 CO -0.12 -1.97 0.00 0.09 0.04 0.00 0.00 177.00 175.04 1rml n ASN 94 N 9.84 0.00 -0.32 6.66 3.02 -1.26 -4.97 115.26 128.23 1rml n ASN 94 Ca 0.14 -0.78 0.18 0.00 -0.03 0.00 0.00 54.58 54.09 1rml n ASN 94 Cb 0.49 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.07 0.00 3.52 1.02 -1.26 0.34 120.64 124.19 1rml n GLU 95 Ca 0.00 1.36 0.00 0.00 -0.02 0.00 0.00 57.16 58.50 1rml n GLU 95 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1rml n GLU 95 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1rml n GLU 96 N -5.30 0.00 -0.32 3.49 2.13 -1.26 -2.41 120.64 116.97 1rml n GLU 96 Ca 0.25 0.42 0.19 0.00 0.66 0.00 0.00 57.16 58.68 1rml n GLU 96 Cb 0.84 -1.32 0.38 0.00 0.27 0.00 0.00 31.44 31.61 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 -5.27 -2.11 -3.30 0.00 4.77 0.15 -4.29 117.00 106.94 1rml n LEU 98 Ca 0.27 -0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1rml n LEU 98 Cb 0.88 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1rml n LEU 98 CO 0.02 -3.12 -0.07 -0.36 -1.33 0.00 0.00 177.39 172.53 1rml s PHE 99 N -2.18 -1.00 -0.98 -1.77 0.08 0.48 -4.36 117.98 108.25 1rml s PHE 99 Ca 0.51 0.25 -0.24 0.00 0.12 0.00 0.00 56.93 57.57 1rml s PHE 99 Cb -0.09 -0.15 -0.25 0.00 -0.57 0.00 0.00 43.02 41.95 1rml s PHE 99 CO 0.59 -0.99 2.49 1.28 -0.10 0.00 0.00 175.22 178.48 1rml n LEU 100 N 5.25 -0.23 -4.85 -0.37 4.77 -0.75 -2.44 117.00 118.38 1rml n LEU 100 Ca 0.02 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 1rml n LEU 100 Cb 0.49 -0.79 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1rml n LEU 100 CO -0.01 -0.92 0.72 -0.70 -1.33 0.00 0.00 177.39 175.15 1rml s GLU 101 N 8.25 3.23 0.00 3.23 2.12 -1.24 -0.11 118.70 134.19 1rml s GLU 101 Ca 1.32 0.82 0.00 0.00 0.36 0.00 0.00 54.97 57.48 1rml s GLU 101 Cb -1.12 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1rml s GLU 101 CO 0.50 -0.86 0.00 2.89 -0.54 0.00 0.00 175.26 177.26 1rml n ARG 102 N -2.95 0.00 -1.13 4.30 1.85 -1.24 -3.12 116.66 114.36 1rml n ARG 102 Ca 0.07 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.63 1rml n ARG 102 Cb 0.54 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.83 1rml n ARG 102 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1rml n LEU 103 N 0.00 -0.02 -0.17 2.89 7.94 -1.26 -4.10 117.00 122.27 1rml n LEU 103 Ca 0.00 0.04 -0.13 0.00 -1.11 0.00 0.00 56.01 54.80 1rml n LEU 103 Cb 0.00 -0.64 -0.10 0.00 0.53 0.00 0.00 43.42 43.21 1rml n LEU 103 CO 0.00 -0.64 0.50 -0.08 -1.11 0.00 0.00 177.39 176.05 1rml h GLU 104 N 8.93 -0.33 0.00 1.96 4.22 -1.37 -3.43 114.58 124.56 1rml h GLU 104 Ca -0.03 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1rml h GLU 104 Cb 0.97 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1rml h GLU 104 CO 1.08 -0.22 0.00 -1.91 -2.18 0.00 0.00 179.01 175.78 1rml n GLU 105 N -5.34 0.00 -2.70 1.92 2.13 -1.26 -5.04 120.64 110.36 1rml n GLU 105 Ca -0.03 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.70 1rml n GLU 105 Cb 0.33 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.09 1rml n GLU 105 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1rml n ASN 106 N 0.00 0.33 0.00 4.31 6.94 -1.26 -4.91 115.26 120.67 1rml n ASN 106 Ca 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1rml n ASN 106 Cb 0.00 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1rml n ASN 106 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1rml n HIS 107 N -0.20 0.00 -2.61 -2.53 8.25 -1.26 -5.12 115.22 111.75 1rml n HIS 107 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 1rml n HIS 107 Cb 0.82 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.90 1rml n HIS 107 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rml s TYR 108 N 0.00 3.62 -0.81 4.41 2.02 -1.26 -4.69 117.35 120.65 1rml s TYR 108 Ca 0.00 1.60 -0.01 0.00 -0.37 0.00 0.00 57.07 58.29 1rml s TYR 108 Cb 0.00 -3.21 0.36 0.00 -0.40 0.00 0.00 41.96 38.71 1rml s TYR 108 CO 0.00 -0.38 1.91 0.09 -1.57 0.00 0.00 175.55 175.60 1rml n ASN 109 N 3.45 7.20 -4.52 2.29 4.13 -1.18 -1.08 115.26 125.55 1rml n ASN 109 Ca 0.06 -3.82 -0.35 0.00 1.68 0.00 0.00 54.58 52.15 1rml n ASN 109 Cb 0.49 -1.00 -0.12 0.00 -1.54 0.00 0.00 39.78 37.60 1rml n ASN 109 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1rml n THR 110 N -0.51 -0.03 -1.72 3.41 -2.24 -1.26 -4.44 114.28 107.50 1rml n THR 110 Ca 0.52 -0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 61.92 1rml n THR 110 Cb 0.28 -1.22 0.02 0.00 -2.10 0.00 0.00 70.33 67.31 1rml n THR 110 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rml n TYR 111 N 12.07 -3.65 -3.66 4.78 4.02 -1.26 -3.63 117.16 125.83 1rml n TYR 111 Ca 0.56 -0.21 -0.07 0.00 -0.01 0.00 0.00 57.90 58.18 1rml n TYR 111 Cb 0.23 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.34 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 -0.81 -0.62 -0.99 -0.72 1.01 0.85 -3.28 121.20 116.64 1rml s ILE 112 Ca 0.10 0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.65 1rml s ILE 112 Cb -0.00 -0.76 -0.27 0.00 0.01 0.00 0.00 42.46 41.43 1rml s ILE 112 CO 0.07 0.04 2.41 -1.54 0.00 0.00 0.00 174.94 175.93 1rml n SER 113 N 5.21 -0.52 0.28 3.58 3.41 0.50 -1.80 113.62 124.28 1rml n SER 113 Ca -0.12 -0.15 0.15 0.00 -0.26 0.00 0.00 58.87 58.48 1rml n SER 113 Cb 0.51 -0.73 0.78 0.00 -0.26 0.00 0.00 64.21 64.50 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 11.39 0.00 0.00 4.33 3.64 -1.78 1.28 116.57 135.43 1rml h LYS 114 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1rml h LYS 114 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1rml h LYS 114 CO 1.48 0.00 0.00 -0.22 -2.27 0.00 0.00 179.45 178.44 1rml h LYS 115 N 0.00 0.00 0.00 1.90 3.64 -1.81 -3.36 116.57 116.94 1rml h LYS 115 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1rml h LYS 115 Cb 0.46 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.14 1rml h LYS 115 CO 0.00 0.00 -0.36 -2.39 -2.27 0.00 0.00 179.45 174.43 1rml n HIS 116 N -2.94 -2.52 0.10 1.91 1.44 0.42 -4.97 115.22 108.67 1rml n HIS 116 Ca 0.02 -1.65 0.06 0.00 -2.01 0.00 0.00 57.72 54.14 1rml n HIS 116 Cb 0.34 1.49 0.00 0.00 0.12 0.00 0.00 29.99 31.94 1rml n HIS 116 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rml h ALA 117 N 3.34 0.66 0.00 1.59 0.00 -1.11 -3.24 119.26 120.50 1rml h ALA 117 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rml h ALA 117 Cb 1.10 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rml h ALA 117 CO 0.16 0.43 0.00 1.49 0.00 0.00 0.00 179.25 181.33 1rml h GLU 118 N 0.00 0.00 -0.02 0.00 4.81 -1.91 0.82 114.58 118.28 1rml h GLU 118 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1rml h GLU 118 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1rml h GLU 118 CO 0.03 0.00 -0.10 1.17 -0.73 0.00 0.00 179.01 179.38 1rml n LYS 119 N -2.32 1.79 -3.24 1.92 4.81 -1.23 -4.97 118.16 114.93 1rml n LYS 119 Ca -0.02 -1.55 -0.16 0.00 -0.87 0.00 0.00 58.31 55.71 1rml n LYS 119 Cb 0.04 -1.40 0.07 0.00 0.02 0.00 0.00 35.03 33.76 1rml n LYS 119 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1rml n ASN 120 N 0.89 -3.41 -4.43 3.14 5.03 0.29 -4.94 115.26 111.81 1rml n ASN 120 Ca 0.11 -0.47 -0.44 0.00 0.87 0.00 0.00 54.58 54.66 1rml n ASN 120 Cb 0.50 -4.17 -0.05 0.00 -1.02 0.00 0.00 39.78 35.04 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 -3.27 2.90 0.69 3.10 0.52 -1.22 -4.42 118.94 117.23 1rml s TRP 121 Ca 0.19 -0.61 -0.12 0.00 0.02 0.00 0.00 56.10 55.58 1rml s TRP 121 Cb -0.08 -3.96 0.16 0.00 -1.15 0.00 0.00 33.47 28.44 1rml s TRP 121 CO 0.58 -1.32 0.83 1.19 0.02 0.00 0.00 176.95 178.26 1rml n PHE 122 N 6.80 -3.89 -3.86 -1.98 3.01 0.18 -0.37 117.46 117.34 1rml n PHE 122 Ca -0.06 -0.74 -0.30 0.00 1.01 0.00 0.00 57.45 57.36 1rml n PHE 122 Cb 0.45 -0.69 -0.14 0.00 -0.01 0.00 0.00 39.48 39.08 1rml n PHE 122 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1rml s VAL 123 N -2.75 2.04 -0.28 -4.37 0.11 -1.20 -4.46 120.40 109.49 1rml s VAL 123 Ca 0.49 -2.82 -0.20 0.00 -2.93 0.00 0.00 61.98 56.52 1rml s VAL 123 Cb -0.02 -2.43 0.08 0.00 -1.53 0.00 0.00 36.38 32.47 1rml s VAL 123 CO 0.35 -0.80 0.70 -0.83 -3.33 0.00 0.00 175.10 171.20 1rml s GLY 124 N 0.20 -0.59 -0.12 6.54 0.00 -1.25 -4.31 107.32 107.79 1rml s GLY 124 Ca 0.16 2.24 -0.29 0.00 0.00 0.00 0.00 44.72 46.83 1rml s GLY 124 CO -0.02 2.10 0.98 1.08 0.00 0.00 0.00 173.10 177.23 1rml s LEU 125 N 1.04 4.23 -0.09 0.66 1.02 -1.23 -4.71 118.68 119.61 1rml s LEU 125 Ca -0.05 1.47 -0.11 0.00 0.02 0.00 0.00 54.13 55.46 1rml s LEU 125 Cb -0.05 -3.50 -0.05 0.00 0.02 0.00 0.00 46.19 42.61 1rml s LEU 125 CO -0.10 -0.45 0.35 1.17 0.02 0.00 0.00 176.35 177.34 1rml n LYS 126 N 5.09 0.00 -0.37 1.70 4.81 -1.10 -4.44 118.16 123.85 1rml n LYS 126 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 1rml n LYS 126 Cb 0.49 -0.36 -0.01 0.00 0.02 0.00 0.00 35.03 35.17 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 0.80 0.92 0.00 1.64 -0.00 -1.26 -1.58 118.16 118.68 1rml n LYS 127 Ca 0.07 -0.96 0.00 0.00 -0.00 0.00 0.00 58.31 57.41 1rml n LYS 127 Cb -0.01 -2.24 0.00 0.00 -0.00 0.00 0.00 35.03 32.78 1rml n LYS 127 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1rml n ASN 128 N 4.93 0.00 0.00 -5.58 3.02 -1.26 -4.76 115.26 111.61 1rml n ASN 128 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1rml n ASN 128 Cb 0.09 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1rml n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rml n GLY 129 N -1.47 1.15 0.00 7.41 0.00 -0.61 -4.85 105.19 106.82 1rml n GLY 129 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1rml n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rml n SER 130 N 0.00 0.00 -4.85 1.61 7.64 -1.26 -4.99 113.62 111.77 1rml n SER 130 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1rml n SER 130 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1rml n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rml s LYS 132 N -1.68 -1.59 -0.41 0.00 3.01 -1.26 -4.92 119.74 112.89 1rml s LYS 132 Ca 0.23 -0.18 0.06 0.00 -1.01 0.00 0.00 55.97 55.07 1rml s LYS 132 Cb -0.12 -1.56 0.31 0.00 -1.01 0.00 0.00 37.83 35.45 1rml s LYS 132 CO 0.14 -3.93 1.22 2.89 0.51 0.00 0.00 175.35 176.18 1rml n ARG 133 N -4.90 0.76 0.00 1.68 1.85 -1.11 -4.44 116.66 110.50 1rml n ARG 133 Ca 0.15 -1.51 0.00 0.00 -1.00 0.00 0.00 57.85 55.49 1rml n ARG 133 Cb 0.60 -0.61 0.00 0.00 -1.05 0.00 0.00 32.46 31.40 1rml n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rml n GLY 134 N 0.22 0.16 2.50 2.89 0.00 0.55 -4.58 105.19 106.93 1rml n GLY 134 Ca -0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 2.76 0.00 1.61 -0.04 -1.26 -3.64 135.00 134.42 1rml n PRO 135 Ca 0.00 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1rml n PRO 135 Cb 0.00 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 1rml n PRO 135 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rml n ARG 136 N 4.07 0.22 -4.04 0.54 1.74 -1.26 -5.01 116.66 112.92 1rml n ARG 136 Ca 0.59 -0.50 -0.31 0.00 -0.77 0.00 0.00 57.85 56.86 1rml n ARG 136 Cb 0.19 -0.73 -0.16 0.00 -1.02 0.00 0.00 32.46 30.73 1rml n ARG 136 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1rml s THR 137 N -0.17 1.71 0.27 0.55 -1.32 -1.24 -4.91 115.64 110.53 1rml s THR 137 Ca 0.00 -0.77 -0.16 0.00 -1.21 0.00 0.00 61.69 59.55 1rml s THR 137 Cb 0.00 -1.61 0.06 0.00 -1.51 0.00 0.00 72.50 69.44 1rml s THR 137 CO 0.00 0.44 0.83 1.41 -2.21 0.00 0.00 174.62 175.09 1rml n HIS 138 N 4.72 -1.81 0.00 9.09 8.25 -1.26 -0.65 115.22 133.56 1rml n HIS 138 Ca -0.18 -1.45 0.00 0.00 -0.26 0.00 0.00 57.72 55.83 1rml n HIS 138 Cb 0.49 0.72 0.00 0.00 1.12 0.00 0.00 29.99 32.32 1rml n HIS 138 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1rml n TYR 139 N -0.57 -1.18 -0.96 4.41 9.36 -1.26 -3.64 117.16 123.32 1rml n TYR 139 Ca -0.05 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.16 1rml n TYR 139 Cb 0.54 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.25 1rml n TYR 139 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1rml n GLY 140 N 0.00 0.07 2.66 2.98 0.00 -1.26 -4.88 105.19 104.76 1rml n GLY 140 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1rml n GLY 140 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rml s GLN 141 N -1.95 0.39 0.32 1.61 -0.21 -1.24 -4.97 119.66 113.62 1rml s GLN 141 Ca 0.00 -0.44 0.12 0.00 0.02 0.00 0.00 55.36 55.06 1rml s GLN 141 Cb 0.00 -1.80 0.68 0.00 1.00 0.00 0.00 33.01 32.89 1rml s GLN 141 CO 0.00 -0.78 1.27 1.63 -2.12 0.00 0.00 175.29 175.29 1rml n LYS 142 N 5.13 0.09 -0.11 2.91 4.01 -1.26 -0.46 118.16 128.47 1rml n LYS 142 Ca -0.07 0.56 0.26 0.00 -0.51 0.00 0.00 58.31 58.56 1rml n LYS 142 Cb 0.46 -2.10 0.72 0.00 -0.51 0.00 0.00 35.03 33.60 1rml n LYS 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rml h ALA 143 N 1.14 2.66 0.02 7.82 0.00 -1.90 1.38 119.26 130.38 1rml h ALA 143 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1rml h ALA 143 Cb 0.63 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1rml h ALA 143 CO 0.00 -1.01 -0.97 -0.84 0.00 0.00 0.00 179.25 176.42 1rml h ILE 144 N 0.00 1.63 -2.22 0.00 3.07 -0.95 -3.26 117.51 115.77 1rml h ILE 144 Ca 0.37 -3.14 -0.54 0.00 1.55 0.00 0.00 64.86 63.10 1rml h ILE 144 Cb 1.59 2.74 -0.02 0.00 -0.27 0.00 0.00 36.82 40.86 1rml h ILE 144 CO -0.00 0.90 1.39 -0.76 -1.05 0.00 0.00 178.15 178.63 1rml s LEU 145 N -6.96 3.43 -0.20 0.16 1.02 0.47 -4.08 118.68 112.53 1rml s LEU 145 Ca -0.00 1.14 -0.00 0.00 0.02 0.00 0.00 54.13 55.28 1rml s LEU 145 Cb 0.10 -3.12 0.02 0.00 0.02 0.00 0.00 46.19 43.20 1rml s LEU 145 CO 0.82 -2.10 -0.15 -0.36 0.02 0.00 0.00 176.35 174.58 1rml s PHE 146 N 8.50 2.85 -0.39 0.29 0.08 -1.26 -1.34 117.98 126.72 1rml s PHE 146 Ca 0.83 -1.50 -0.07 0.00 0.12 0.00 0.00 56.93 56.31 1rml s PHE 146 Cb -0.21 -1.97 0.07 0.00 -0.57 0.00 0.00 43.02 40.34 1rml s PHE 146 CO 0.30 -0.75 0.19 -1.17 -0.10 0.00 0.00 175.22 173.69 1rml s LEU 147 N 1.33 4.85 -0.01 -0.37 1.98 0.20 -3.13 118.68 123.54 1rml s LEU 147 Ca 0.04 -1.46 -0.30 0.00 -2.89 0.00 0.00 54.13 49.53 1rml s LEU 147 Cb -0.14 -1.92 -0.04 0.00 0.66 0.00 0.00 46.19 44.76 1rml s LEU 147 CO -0.10 -0.46 1.20 -2.16 -1.89 0.00 0.00 176.35 172.93 1rml s PRO 148 N 1.37 4.39 -0.44 0.98 0.04 -1.26 -2.37 135.00 137.71 1rml s PRO 148 Ca 0.02 1.71 0.09 0.00 0.04 0.00 0.00 61.00 62.86 1rml s PRO 148 Cb -0.22 -3.47 0.30 0.00 0.04 0.00 0.00 34.50 31.15 1rml s PRO 148 CO 0.01 -0.36 0.70 1.47 0.04 0.00 0.00 177.00 178.86 1rml n LEU 149 N 4.64 1.53 -4.78 -3.56 -0.00 -1.19 -5.01 117.00 108.63 1rml n LEU 149 Ca 0.10 -5.06 -0.29 0.00 -0.00 0.00 0.00 56.01 50.75 1rml n LEU 149 Cb 0.46 0.33 0.16 0.00 -0.00 0.00 0.00 43.42 44.37 1rml n LEU 149 CO 0.55 2.20 0.73 -2.16 -0.00 0.00 0.00 177.39 178.71 1rml s PRO 150 N -2.19 0.69 -0.18 1.47 0.04 -1.26 -4.24 135.00 129.32 1rml s PRO 150 Ca 0.40 0.11 0.07 0.00 0.04 0.00 0.00 61.00 61.62 1rml s PRO 150 Cb 0.26 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 33.21 1rml s PRO 150 CO -0.09 -2.47 1.17 1.33 0.04 0.00 0.00 177.00 176.98 1rml n VAL 151 N -3.92 0.00 -1.51 -0.36 0.24 -1.17 -4.95 118.33 106.66 1rml n VAL 151 Ca 0.09 -0.54 -0.39 0.00 -2.04 0.00 0.00 64.34 61.46 1rml n VAL 151 Cb 0.59 0.74 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.84 0.35 -2.70 -1.34 2.88 -0.89 -4.67 113.62 106.43 1rml n SER 152 Ca -0.17 0.05 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 1rml n SER 152 Cb 0.74 -0.96 0.05 0.00 -0.75 0.00 0.00 64.21 63.30 1rml n SER 152 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1rml n SER 153 N 10.69 -1.92 0.00 -3.46 2.88 -1.25 -5.01 113.62 115.55 1rml n SER 153 Ca 0.63 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.09 1rml n SER 153 Cb 0.09 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.63 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14