#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 0.33 -6.56 1.97 0.13 -1.96 -3.45 132.00 122.47 1rml h PRO 25 Ca 0.00 -0.31 -0.68 0.00 -0.87 0.00 0.00 66.00 64.13 1rml h PRO 25 Cb 0.00 0.08 -0.22 0.00 0.13 0.00 0.00 31.00 30.99 1rml h PRO 25 CO 0.00 0.99 -0.80 0.21 -0.23 0.00 0.00 178.00 178.17 1rml s LYS 26 N -3.39 2.11 -0.27 0.86 2.47 -1.26 0.19 119.74 120.44 1rml s LYS 26 Ca -0.05 -0.96 -0.12 0.00 -1.56 0.00 0.00 55.97 53.29 1rml s LYS 26 Cb 0.10 -2.21 0.10 0.00 -1.46 0.00 0.00 37.83 34.37 1rml s LYS 26 CO 0.84 0.55 0.62 -0.48 0.16 0.00 0.00 175.35 177.04 1rml s LEU 27 N -1.41 -0.96 0.43 5.43 0.05 -1.26 -3.88 118.68 117.08 1rml s LEU 27 Ca 0.15 1.45 0.01 0.00 0.05 0.00 0.00 54.13 55.78 1rml s LEU 27 Cb -0.11 2.16 -0.01 0.00 -2.05 0.00 0.00 46.19 46.19 1rml s LEU 27 CO 0.05 -0.23 0.64 -0.22 -0.55 0.00 0.00 176.35 176.04 1rml s LEU 28 N 2.36 3.73 0.02 1.48 0.20 -1.26 -2.80 118.68 122.42 1rml s LEU 28 Ca -0.07 0.28 -0.21 0.00 0.69 0.00 0.00 54.13 54.82 1rml s LEU 28 Cb -0.10 -3.17 0.05 0.00 -0.43 0.00 0.00 46.19 42.55 1rml s LEU 28 CO -0.18 -0.61 0.48 -0.47 -0.29 0.00 0.00 176.35 175.27 1rml s TYR 29 N -2.49 -0.38 0.33 5.38 5.04 -1.19 -4.15 117.35 119.90 1rml s TYR 29 Ca 0.47 0.48 -0.10 0.00 -2.44 0.00 0.00 57.07 55.48 1rml s TYR 29 Cb -0.10 0.28 -0.07 0.00 0.35 0.00 0.00 41.96 42.42 1rml s TYR 29 CO 0.37 -0.57 0.67 0.00 -1.34 0.00 0.00 175.55 174.68 1rml n SER 31 N -0.83 -0.23 -3.44 0.00 3.41 0.31 -4.17 113.62 108.68 1rml n SER 31 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 1rml n SER 31 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1rml n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rml n ASN 32 N -0.34 -2.57 -3.59 4.04 4.13 -1.25 -0.56 115.26 115.11 1rml n ASN 32 Ca 0.00 0.60 -0.18 0.00 1.68 0.00 0.00 54.58 56.69 1rml n ASN 32 Cb 0.00 -0.70 -0.02 0.00 -1.54 0.00 0.00 39.78 37.52 1rml n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rml n GLY 33 N 1.93 -0.20 3.46 7.41 0.00 -1.26 -4.75 105.19 111.78 1rml n GLY 33 Ca 0.08 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1rml n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rml s GLY 34 N -3.96 1.86 0.62 -0.02 0.00 0.27 -4.63 107.32 101.46 1rml s GLY 34 Ca 0.10 -1.88 0.02 0.00 0.00 0.00 0.00 44.72 42.97 1rml s GLY 34 CO 0.45 -1.94 0.85 1.42 0.00 0.00 0.00 173.10 173.88 1rml n HIS 35 N -0.61 -2.82 -3.84 1.90 8.25 -1.26 -4.53 115.22 112.31 1rml n HIS 35 Ca -0.06 -1.66 -0.34 0.00 -0.26 0.00 0.00 57.72 55.40 1rml n HIS 35 Cb 0.61 -0.61 -0.12 0.00 1.12 0.00 0.00 29.99 30.98 1rml n HIS 35 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1rml s PHE 36 N -2.61 3.58 0.58 4.41 0.40 0.44 0.91 117.98 125.69 1rml s PHE 36 Ca 0.58 -2.66 -0.17 0.00 -0.60 0.00 0.00 56.93 54.09 1rml s PHE 36 Cb -0.04 -3.12 -0.14 0.00 0.51 0.00 0.00 43.02 40.23 1rml s PHE 36 CO 0.38 -0.93 -0.27 1.28 0.70 0.00 0.00 175.22 176.38 1rml n LEU 37 N 4.26 -3.98 -3.95 -0.37 4.77 -1.26 -3.18 117.00 113.30 1rml n LEU 37 Ca 0.01 0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1rml n LEU 37 Cb 0.40 -0.78 -0.11 0.00 -2.33 0.00 0.00 43.42 40.61 1rml n LEU 37 CO 0.30 -4.77 -0.32 0.00 -1.33 0.00 0.00 177.39 171.27 1rml s ARG 38 N -1.17 0.32 -0.22 3.23 3.03 -0.89 -4.65 118.95 118.61 1rml s ARG 38 Ca 0.50 -0.51 0.01 0.00 2.03 0.00 0.00 55.73 57.76 1rml s ARG 38 Cb -0.39 0.12 0.05 0.00 -1.03 0.00 0.00 34.95 33.69 1rml s ARG 38 CO 0.66 -0.06 -0.10 -1.50 -1.13 0.00 0.00 175.30 173.17 1rml s ILE 39 N -1.31 1.74 0.06 4.99 1.10 -1.19 -3.69 121.20 122.91 1rml s ILE 39 Ca -0.14 -1.18 -0.16 0.00 -0.51 0.00 0.00 60.65 58.65 1rml s ILE 39 Cb -0.09 -1.86 -0.06 0.00 0.15 0.00 0.00 42.46 40.61 1rml s ILE 39 CO -0.00 0.08 0.50 -0.76 -2.11 0.00 0.00 174.94 172.65 1rml s LEU 40 N 1.33 4.46 0.00 8.50 1.43 -1.00 -4.66 118.68 128.75 1rml s LEU 40 Ca -0.04 1.11 0.06 0.00 -1.03 0.00 0.00 54.13 54.23 1rml s LEU 40 Cb -0.17 -2.87 0.36 0.00 0.03 0.00 0.00 46.19 43.53 1rml s LEU 40 CO -0.07 0.25 1.01 -0.81 0.23 0.00 0.00 176.35 176.96 1rml n PRO 41 N 1.52 0.75 -0.04 1.29 -0.04 -1.26 -2.37 135.00 134.86 1rml n PRO 41 Ca -0.10 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.26 1rml n PRO 41 Cb 0.52 -1.12 -0.14 0.00 -0.04 0.00 0.00 33.50 32.71 1rml n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1rml n ASP 42 N -0.62 0.73 0.00 3.54 -0.08 -1.26 -4.98 116.55 113.88 1rml n ASP 42 Ca 0.05 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1rml n ASP 42 Cb 0.02 0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.63 1rml n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rml n GLY 43 N 1.63 1.97 3.37 0.27 0.00 -1.00 -5.14 105.19 106.29 1rml n GLY 43 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 1.93 0.31 2.61 2.01 -1.25 -4.59 115.64 114.66 1rml s THR 44 Ca 0.00 -2.16 0.03 0.00 0.31 0.00 0.00 61.69 59.88 1rml s THR 44 Cb 0.00 -2.04 -0.06 0.00 0.01 0.00 0.00 72.50 70.41 1rml s THR 44 CO 0.00 -0.45 0.06 -0.69 -0.69 0.00 0.00 174.62 172.84 1rml s VAL 45 N -2.55 1.09 -1.50 3.82 1.01 -1.26 -2.36 120.40 118.65 1rml s VAL 45 Ca 0.22 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1rml s VAL 45 Cb -0.03 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1rml s VAL 45 CO 0.08 -0.02 0.00 -0.90 0.00 0.00 0.00 175.10 174.26 1rml n ASP 46 N -0.64 0.00 -4.01 3.32 5.68 -1.24 -4.92 116.55 114.75 1rml n ASP 46 Ca -0.02 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.19 1rml n ASP 46 Cb 0.66 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.31 -0.05 6.12 0.00 -1.26 -2.09 107.32 110.35 1rml s GLY 47 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.89 1rml s GLY 47 CO 0.00 -0.94 -0.01 -1.59 0.00 0.00 0.00 173.10 170.56 1rml s THR 48 N -2.85 0.37 0.23 0.90 2.01 -1.19 -4.29 115.64 110.82 1rml s THR 48 Ca -0.03 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1rml s THR 48 Cb 0.00 -0.47 0.31 0.00 0.01 0.00 0.00 72.50 72.35 1rml s THR 48 CO -0.06 0.22 1.15 -1.14 -0.69 0.00 0.00 174.62 174.10 1rml n ARG 49 N 4.55 -0.06 -3.69 4.92 0.00 -1.26 0.16 116.66 121.29 1rml n ARG 49 Ca -0.17 1.09 -0.17 0.00 -0.00 0.00 0.00 57.85 58.60 1rml n ARG 49 Cb 0.50 -1.75 -0.16 0.00 0.00 0.00 0.00 32.46 31.06 1rml n ARG 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1rml s ASP 50 N -4.99 0.66 -0.69 6.15 1.01 -1.26 -4.28 116.67 113.27 1rml s ASP 50 Ca -0.09 0.25 -0.16 0.00 0.71 0.00 0.00 52.55 53.26 1rml s ASP 50 Cb 0.22 0.15 -0.18 0.00 1.01 0.00 0.00 42.92 44.11 1rml s ASP 50 CO 0.57 -0.22 1.73 -2.11 0.21 0.00 0.00 175.17 175.35 1rml n ARG 51 N 5.08 0.00 -2.67 8.23 1.85 -1.25 -4.68 116.66 123.21 1rml n ARG 51 Ca -0.09 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.67 1rml n ARG 51 Cb 0.50 -0.92 0.04 0.00 -1.05 0.00 0.00 32.46 31.04 1rml n ARG 51 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1rml n SER 52 N 6.07 0.89 -2.07 2.89 2.88 -1.26 -5.10 113.62 117.91 1rml n SER 52 Ca 0.46 -2.68 -0.03 0.00 -1.33 0.00 0.00 58.87 55.29 1rml n SER 52 Cb 0.05 -0.28 -0.01 0.00 -0.75 0.00 0.00 64.21 63.22 1rml n SER 52 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1rml n ASP 53 N -0.14 1.72 0.11 -3.46 2.03 -1.26 -5.06 116.55 110.49 1rml n ASP 53 Ca 0.07 -1.22 -0.23 0.00 0.52 0.00 0.00 54.79 53.93 1rml n ASP 53 Cb 0.82 0.06 -0.15 0.00 -0.72 0.00 0.00 41.12 41.13 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 0.46 -1.42 -0.67 -0.00 -1.99 -3.44 115.11 108.05 1rml h GLN 54 Ca -0.04 -0.78 -0.11 0.00 -0.00 0.00 0.00 58.65 57.73 1rml h GLN 54 Cb 0.13 0.29 -0.25 0.00 -0.00 0.00 0.00 27.48 27.64 1rml h GLN 54 CO 0.06 1.36 -0.48 -3.38 -0.00 0.00 0.00 178.83 176.40 1rml s HIS 55 N -2.60 -1.34 -0.17 0.06 -3.43 -1.26 -4.99 115.29 101.57 1rml s HIS 55 Ca -0.11 0.57 0.17 0.00 -0.80 0.00 0.00 55.06 54.90 1rml s HIS 55 Cb 0.05 0.03 0.45 0.00 -1.43 0.00 0.00 32.58 31.68 1rml s HIS 55 CO 0.91 -1.03 1.33 0.44 -2.00 0.00 0.00 174.74 174.38 1rml n ILE 56 N 5.31 2.16 -2.28 -5.38 -0.00 -1.26 -3.13 119.36 114.78 1rml n ILE 56 Ca 0.03 -2.07 -0.42 0.00 -0.00 0.00 0.00 62.75 60.29 1rml n ILE 56 Cb 0.51 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.64 39.87 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 -2.87 4.36 -0.05 6.28 1.11 -1.25 -4.10 119.66 123.14 1rml s GLN 57 Ca 0.39 1.93 0.02 0.00 0.01 0.00 0.00 55.36 57.72 1rml s GLN 57 Cb 0.32 -3.35 0.01 0.00 -1.01 0.00 0.00 33.01 28.99 1rml s GLN 57 CO 0.06 -0.39 -0.10 -0.51 0.01 0.00 0.00 175.29 174.35 1rml s LEU 58 N 1.33 1.66 0.20 2.90 1.02 -1.26 -4.45 118.68 120.08 1rml s LEU 58 Ca 0.62 -0.24 0.11 0.00 0.02 0.00 0.00 54.13 54.65 1rml s LEU 58 Cb -0.33 -0.69 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 1rml s LEU 58 CO 0.29 0.04 -0.24 -1.58 0.02 0.00 0.00 176.35 174.88 1rml s GLN 59 N 0.49 1.52 0.35 1.70 2.00 -1.21 -4.40 119.66 120.11 1rml s GLN 59 Ca -0.09 -1.53 0.09 0.00 -2.00 0.00 0.00 55.36 51.82 1rml s GLN 59 Cb -0.13 -1.83 -0.06 0.00 0.80 0.00 0.00 33.01 31.79 1rml s GLN 59 CO 0.02 0.39 -0.05 -0.51 -0.50 0.00 0.00 175.29 174.64 1rml s LEU 60 N -2.70 2.82 -0.35 3.68 1.02 -1.26 -1.93 118.68 119.95 1rml s LEU 60 Ca 0.21 -1.15 0.15 0.00 0.02 0.00 0.00 54.13 53.36 1rml s LEU 60 Cb -0.08 -1.10 0.42 0.00 0.02 0.00 0.00 46.19 45.46 1rml s LEU 60 CO 0.10 -0.23 1.02 -0.24 0.02 0.00 0.00 176.35 177.01 1rml n SER 61 N -0.86 0.46 -4.45 2.29 2.88 0.50 -4.80 113.62 109.64 1rml n SER 61 Ca -0.05 -2.74 -0.61 0.00 -1.33 0.00 0.00 58.87 54.14 1rml n SER 61 Cb 0.63 -0.09 -0.09 0.00 -0.75 0.00 0.00 64.21 63.92 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 -2.44 0.30 -1.46 0.00 -1.26 -3.04 120.51 112.50 1rml n ALA 62 Ca 0.08 0.53 0.03 0.00 0.00 0.00 0.00 53.44 54.09 1rml n ALA 62 Cb 0.80 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 2.63 1.92 0.00 0.00 0.28 -1.03 -4.84 120.64 119.60 1rml n GLU 63 Ca 0.24 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.68 1rml n GLU 63 Cb 0.01 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1rml n GLU 63 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1rml n SER 64 N -0.21 0.00 -4.52 -1.84 7.64 -0.48 -5.02 113.62 109.20 1rml n SER 64 Ca 0.03 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.43 1rml n SER 64 Cb 0.15 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.15 1.63 -0.96 0.44 0.24 -1.26 0.76 118.33 118.02 1rml n VAL 65 Ca 0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1rml n VAL 65 Cb 0.00 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 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 1.68 0.85 3.08 7.63 0.00 0.54 -4.89 105.19 114.07 1rml n GLY 66 Ca 0.14 0.00 0.00 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 -0.10 0.51 0.23 1.61 2.12 0.23 -3.95 118.70 119.36 1rml s GLU 67 Ca 0.00 0.62 0.07 0.00 0.36 0.00 0.00 54.97 56.01 1rml s GLU 67 Cb 0.00 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 1rml s GLU 67 CO 0.00 -0.86 -0.09 0.14 -0.54 0.00 0.00 175.26 173.90 1rml s VAL 68 N 2.75 1.60 0.32 3.70 -7.23 0.14 -1.38 120.40 120.30 1rml s VAL 68 Ca 0.14 -2.15 0.10 0.00 -1.81 0.00 0.00 61.98 58.26 1rml s VAL 68 Cb -0.13 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 1rml s VAL 68 CO -0.24 -0.46 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.68 1rml s TYR 69 N -3.05 2.40 -0.10 2.82 2.02 -1.17 0.11 117.35 120.37 1rml s TYR 69 Ca 0.26 -0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1rml s TYR 69 Cb 0.02 -1.28 0.05 0.00 -0.40 0.00 0.00 41.96 40.35 1rml s TYR 69 CO 0.09 0.61 0.22 0.42 -1.57 0.00 0.00 175.55 175.32 1rml s ILE 70 N -2.56 -0.21 -0.07 2.71 1.01 -1.26 0.19 121.20 121.01 1rml s ILE 70 Ca 0.32 0.24 0.02 0.00 0.00 0.00 0.00 60.65 61.23 1rml s ILE 70 Cb -0.00 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.12 1rml s ILE 70 CO 0.17 0.10 -0.11 -0.75 0.00 0.00 0.00 174.94 174.34 1rml s LYS 71 N 1.83 1.63 -0.72 2.79 2.36 -0.81 -1.10 119.74 125.72 1rml s LYS 71 Ca -0.03 -0.38 -0.26 0.00 -2.55 0.00 0.00 55.97 52.75 1rml s LYS 71 Cb -0.11 -1.39 -0.10 0.00 -1.05 0.00 0.00 37.83 35.17 1rml s LYS 71 CO -0.08 -0.01 2.32 0.45 1.55 0.00 0.00 175.35 179.58 1rml s SER 72 N 0.79 4.27 -0.85 1.43 0.15 0.65 -3.32 113.70 116.81 1rml s SER 72 Ca -0.12 0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.56 1rml s SER 72 Cb -0.15 -2.54 -0.21 0.00 -1.71 0.00 0.00 66.02 61.41 1rml s SER 72 CO 0.02 -3.39 2.27 0.35 1.20 0.00 0.00 173.24 173.69 1rml n THR 73 N 8.38 0.00 0.00 6.45 -2.24 -1.26 -1.86 114.28 123.75 1rml n THR 73 Ca 0.42 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1rml n THR 73 Cb 0.47 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1rml n THR 73 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1rml n GLU 74 N 7.55 0.00 0.00 -0.78 4.07 -1.26 -4.95 120.64 125.27 1rml n GLU 74 Ca 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 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 -3.12 6.31 -2.24 -0.78 -5.07 114.28 109.38 1rml n THR 75 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1rml n THR 75 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 5.00 3.02 3.01 3.38 0.00 -1.26 -4.87 105.19 113.47 1rml n GLY 76 Ca 0.00 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 1rml n GLY 76 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rml s GLN 77 N -1.81 1.39 -0.33 1.61 1.11 -1.26 -4.70 119.66 115.67 1rml s GLN 77 Ca 0.37 -0.36 -0.08 0.00 0.01 0.00 0.00 55.36 55.29 1rml s GLN 77 Cb 0.31 -1.20 0.02 0.00 -1.01 0.00 0.00 33.01 31.12 1rml s GLN 77 CO -0.09 0.06 0.14 0.71 0.01 0.00 0.00 175.29 176.12 1rml s TYR 78 N 0.51 3.21 0.99 0.91 1.51 -0.96 -0.25 117.35 123.27 1rml s TYR 78 Ca -0.10 -1.01 -0.16 0.00 -1.01 0.00 0.00 57.07 54.79 1rml s TYR 78 Cb -0.13 -2.33 -0.11 0.00 -0.11 0.00 0.00 41.96 39.27 1rml s TYR 78 CO 0.02 -0.61 -0.58 -0.11 -1.11 0.00 0.00 175.55 173.16 1rml n LEU 79 N 4.91 -4.94 -3.96 -1.29 7.94 -0.26 -1.43 117.00 117.97 1rml n LEU 79 Ca -0.13 0.21 0.03 0.00 -1.11 0.00 0.00 56.01 55.01 1rml n LEU 79 Cb 0.47 -0.84 0.01 0.00 0.53 0.00 0.00 43.42 43.58 1rml n LEU 79 CO 0.33 -5.58 1.14 0.00 -1.11 0.00 0.00 177.39 172.17 1rml s ALA 80 N -2.08 -2.58 -0.25 1.96 0.00 0.51 -4.25 121.76 115.07 1rml s ALA 80 Ca 0.43 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 1rml s ALA 80 Cb -0.18 0.85 0.09 0.00 0.00 0.00 0.00 23.12 23.87 1rml s ALA 80 CO 0.80 -1.15 0.12 1.41 0.00 0.00 0.00 175.76 176.94 1rml s MET 81 N -2.04 0.15 1.23 0.00 1.75 -1.25 0.17 119.30 119.31 1rml s MET 81 Ca 0.29 -0.34 -0.15 0.00 -1.25 0.00 0.00 55.69 54.24 1rml s MET 81 Cb 0.00 -1.38 0.31 0.00 2.84 0.00 0.00 34.83 36.60 1rml s MET 81 CO -0.02 -0.89 1.00 -0.51 -0.65 0.00 0.00 175.02 173.96 1rml s ASP 82 N 2.13 0.46 0.28 1.11 1.01 -1.09 -4.77 116.67 115.80 1rml s ASP 82 Ca 0.06 1.37 0.22 0.00 0.71 0.00 0.00 52.55 54.91 1rml s ASP 82 Cb -0.16 -2.11 1.05 0.00 1.01 0.00 0.00 42.92 42.71 1rml s ASP 82 CO -0.26 -4.50 1.66 0.41 0.21 0.00 0.00 175.17 172.69 1rml n THR 83 N -5.11 0.97 0.99 -1.27 -1.04 -1.26 -0.82 114.28 106.74 1rml n THR 83 Ca 0.04 0.49 0.10 0.00 -2.04 0.00 0.00 64.05 62.65 1rml n THR 83 Cb 0.55 -1.46 0.53 0.00 -1.82 0.00 0.00 70.33 68.13 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 -2.22 0.00 -0.41 8.00 2.03 -1.26 -4.84 116.55 117.86 1rml n ASP 84 Ca 0.00 0.01 -0.05 0.00 0.52 0.00 0.00 54.79 55.27 1rml n ASP 84 Cb 0.12 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 1rml n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rml n GLY 85 N 0.52 0.78 3.42 0.27 0.00 0.00 -3.72 105.19 106.46 1rml n GLY 85 Ca 0.10 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.21 3.04 0.28 0.99 0.20 -1.25 -1.17 118.68 119.56 1rml s LEU 86 Ca 0.00 -0.24 -0.30 0.00 0.69 0.00 0.00 54.13 54.28 1rml s LEU 86 Cb 0.00 -1.73 -0.13 0.00 -0.43 0.00 0.00 46.19 43.90 1rml s LEU 86 CO 0.00 0.12 1.37 0.18 -0.29 0.00 0.00 176.35 177.73 1rml n LEU 87 N 3.83 3.35 -3.51 -0.68 4.32 -1.26 -2.66 117.00 120.39 1rml n LEU 87 Ca -0.18 1.17 -0.17 0.00 -0.02 0.00 0.00 56.01 56.81 1rml n LEU 87 Cb 0.52 -1.46 -0.06 0.00 -1.62 0.00 0.00 43.42 40.80 1rml n LEU 87 CO 0.31 -0.46 0.44 -0.72 -1.22 0.00 0.00 177.39 175.75 1rml s TYR 88 N -0.48 -0.65 0.14 -1.77 1.13 0.45 -4.51 117.35 111.67 1rml s TYR 88 Ca 0.63 1.06 0.03 0.00 -1.41 0.00 0.00 57.07 57.37 1rml s TYR 88 Cb -0.61 0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 1rml s TYR 88 CO 0.55 -0.62 0.23 0.20 -2.51 0.00 0.00 175.55 173.39 1rml s GLY 89 N -1.31 1.77 0.03 5.49 0.00 -1.26 0.19 107.32 112.23 1rml s GLY 89 Ca -0.10 -1.06 -0.08 0.00 0.00 0.00 0.00 44.72 43.48 1rml s GLY 89 CO 0.08 -1.06 0.16 -0.45 0.00 0.00 0.00 173.10 171.84 1rml s SER 90 N -3.09 0.06 0.00 1.64 0.15 -0.52 -4.85 113.70 107.10 1rml s SER 90 Ca 0.33 -0.36 0.22 0.00 0.70 0.00 0.00 55.95 56.84 1rml s SER 90 Cb -0.11 0.26 1.32 0.00 -1.71 0.00 0.00 66.02 65.78 1rml s SER 90 CO 0.27 -0.51 1.81 1.67 1.20 0.00 0.00 173.24 177.68 1rml n GLN 91 N 0.86 0.94 -3.84 5.44 7.27 -1.26 -2.26 117.38 124.53 1rml n GLN 91 Ca -0.20 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.53 1rml n GLN 91 Cb 0.58 -1.37 -0.12 0.00 2.41 0.00 0.00 30.24 31.74 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 -2.00 3.10 -1.01 1.69 -4.23 -1.26 -5.00 115.64 106.93 1rml s THR 92 Ca 0.33 -2.73 -0.23 0.00 -1.18 0.00 0.00 61.69 57.88 1rml s THR 92 Cb 0.15 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1rml s THR 92 CO 0.26 -0.77 1.71 -2.16 -0.54 0.00 0.00 174.62 173.12 1rml s PRO 93 N 0.33 3.11 0.24 3.99 0.04 -1.26 -4.48 135.00 136.97 1rml s PRO 93 Ca 0.14 -0.85 0.02 0.00 0.04 0.00 0.00 61.00 60.34 1rml s PRO 93 Cb -0.22 -5.24 -0.01 0.00 0.04 0.00 0.00 34.50 29.07 1rml s PRO 93 CO -0.04 -2.83 0.06 0.09 0.04 0.00 0.00 177.00 174.32 1rml n ASN 94 N 11.38 1.57 -0.32 6.66 3.02 -1.26 -4.91 115.26 131.40 1rml n ASN 94 Ca 0.38 -2.18 0.31 0.00 -0.03 0.00 0.00 54.58 53.06 1rml n ASN 94 Cb 0.49 0.45 0.56 0.00 -0.61 0.00 0.00 39.78 40.67 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 -0.55 -0.05 0.07 3.52 4.71 -1.26 0.18 120.64 127.25 1rml n GLU 95 Ca -0.05 1.26 -0.13 0.00 -0.01 0.00 0.00 57.16 58.22 1rml n GLU 95 Cb 0.34 -2.29 -0.08 0.00 -1.01 0.00 0.00 31.44 28.40 1rml n GLU 95 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1rml h GLU 96 N 0.00 -0.10 0.00 3.49 4.81 -1.93 -1.59 114.58 119.26 1rml h GLU 96 Ca 0.79 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 60.01 1rml h GLU 96 Cb 2.17 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.57 1rml h GLU 96 CO -0.67 0.01 -0.10 0.00 -0.73 0.00 0.00 179.01 177.52 1rml s LEU 98 N -7.15 0.85 -0.17 0.00 1.43 0.12 -4.30 118.68 109.46 1rml s LEU 98 Ca -0.03 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 1rml s LEU 98 Cb 0.13 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.47 1rml s LEU 98 CO 0.57 -3.90 0.38 -0.36 0.23 0.00 0.00 176.35 173.27 1rml s PHE 99 N -2.81 -0.63 -0.45 0.29 0.08 0.30 -4.20 117.98 110.57 1rml s PHE 99 Ca 0.68 1.29 -0.27 0.00 0.12 0.00 0.00 56.93 58.74 1rml s PHE 99 Cb -0.17 0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.47 1rml s PHE 99 CO 0.59 -0.39 1.95 -0.51 -0.10 0.00 0.00 175.22 176.76 1rml s LEU 100 N 1.98 3.40 0.04 -0.37 1.43 0.37 0.24 118.68 125.77 1rml s LEU 100 Ca -0.05 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.05 1rml s LEU 100 Cb -0.10 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1rml s LEU 100 CO -0.12 -2.17 -0.05 -0.70 0.23 0.00 0.00 176.35 173.54 1rml s GLU 101 N 6.66 2.48 0.00 1.70 2.12 -1.25 -0.57 118.70 129.83 1rml s GLU 101 Ca 0.80 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1rml s GLU 101 Cb -0.19 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 31.72 1rml s GLU 101 CO 0.28 0.57 0.00 2.89 -0.54 0.00 0.00 175.26 178.46 1rml n ARG 102 N 1.13 0.00 0.00 4.30 1.85 -1.26 0.20 116.66 122.88 1rml n ARG 102 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 1rml n ARG 102 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 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 0.00 -0.08 2.89 0.00 -1.26 -4.95 117.00 113.60 1rml n LEU 103 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 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 -1.07 1.21 0.00 0.00 0.00 177.39 177.53 1rml n GLU 104 N 0.00 0.68 0.00 1.96 0.00 -1.26 -4.98 120.64 117.03 1rml n GLU 104 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1rml n GLU 104 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 29.84 1rml n GLU 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1rml n GLU 105 N -3.12 0.00 -2.09 5.31 -0.58 -1.26 -5.08 120.64 113.82 1rml n GLU 105 Ca -0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.38 1rml n GLU 105 Cb 1.06 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.99 1rml n GLU 105 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1rml n ASN 106 N 0.00 -0.74 0.14 1.62 4.13 -1.26 -5.01 115.26 114.14 1rml n ASN 106 Ca 0.00 -1.61 0.00 0.00 1.68 0.00 0.00 54.58 54.65 1rml n ASN 106 Cb 0.00 0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1rml n ASN 106 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1rml n HIS 107 N -0.75 -3.75 -0.11 3.10 8.25 -1.26 -5.15 115.22 115.55 1rml n HIS 107 Ca -0.09 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1rml n HIS 107 Cb 0.69 2.64 0.00 0.00 1.12 0.00 0.00 29.99 34.43 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 -3.17 -1.50 -2.90 4.41 4.01 -1.26 -4.87 117.16 111.88 1rml n TYR 108 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1rml n TYR 108 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.75 -1.18 -0.67 7.72 -0.87 -1.08 -4.79 114.94 112.33 1rml s ASN 109 Ca 0.00 -1.66 -0.26 0.00 -1.57 0.00 0.00 52.86 49.36 1rml s ASN 109 Cb 0.00 1.70 -0.01 0.00 -0.02 0.00 0.00 41.25 42.92 1rml s ASN 109 CO 0.00 -0.09 1.74 0.42 -2.57 0.00 0.00 177.10 176.60 1rml s THR 110 N 1.00 3.45 0.54 1.60 -4.23 -1.26 -4.42 115.64 112.32 1rml s THR 110 Ca 0.27 0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 1rml s THR 110 Cb -0.01 -4.17 0.12 0.00 1.34 0.00 0.00 72.50 69.78 1rml s THR 110 CO -0.06 -1.13 0.74 -1.22 -0.54 0.00 0.00 174.62 172.40 1rml n TYR 111 N 12.06 -3.92 -3.67 3.99 4.02 -1.26 -4.28 117.16 124.10 1rml n TYR 111 Ca 0.18 -0.70 -0.09 0.00 -0.01 0.00 0.00 57.90 57.28 1rml n TYR 111 Cb 0.51 -0.57 -0.09 0.00 -0.02 0.00 0.00 39.34 39.18 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 -2.56 -0.01 -0.87 -0.72 1.01 0.26 -3.71 121.20 114.60 1rml s ILE 112 Ca 0.42 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.91 1rml s ILE 112 Cb -0.01 -0.83 -0.22 0.00 0.01 0.00 0.00 42.46 41.41 1rml s ILE 112 CO 0.30 0.01 2.33 -1.54 0.00 0.00 0.00 174.94 176.04 1rml n SER 113 N 4.02 0.36 -0.31 3.58 3.41 0.97 -0.48 113.62 125.17 1rml n SER 113 Ca -0.20 -0.86 0.11 0.00 -0.26 0.00 0.00 58.87 57.65 1rml n SER 113 Cb 0.57 -1.12 0.28 0.00 -0.26 0.00 0.00 64.21 63.67 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 12.56 0.54 -0.93 4.33 3.64 -1.82 0.84 116.57 135.73 1rml h LYS 114 Ca -0.01 -0.03 0.27 0.00 -1.27 0.00 0.00 60.65 59.61 1rml h LYS 114 Cb 1.11 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1rml h LYS 114 CO 1.31 0.36 0.93 -0.22 -2.27 0.00 0.00 179.45 179.56 1rml h LYS 115 N 0.56 0.00 -0.40 1.90 3.64 -1.79 -3.15 116.57 117.33 1rml h LYS 115 Ca 0.52 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.78 1rml h LYS 115 Cb 0.86 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.53 1rml h LYS 115 CO -0.43 0.00 -0.34 -2.39 -2.27 0.00 0.00 179.45 174.02 1rml n HIS 116 N -3.59 -2.50 1.43 1.91 1.44 0.26 -4.97 115.22 109.20 1rml n HIS 116 Ca 0.20 -1.20 0.14 0.00 -2.01 0.00 0.00 57.72 54.84 1rml n HIS 116 Cb 1.23 1.36 0.46 0.00 0.12 0.00 0.00 29.99 33.16 1rml n HIS 116 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rml n ALA 117 N 2.29 2.57 0.31 1.59 0.00 0.39 -3.87 120.51 123.79 1rml n ALA 117 Ca 0.12 -0.48 0.20 0.00 0.00 0.00 0.00 53.44 53.27 1rml n ALA 117 Cb 0.62 -1.12 0.96 0.00 0.00 0.00 0.00 19.45 19.91 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 2.66 0.00 -0.23 0.00 4.81 -1.88 0.60 114.58 120.53 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 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1rml h GLU 118 CO 0.00 0.01 0.00 1.63 -0.73 0.00 0.00 179.01 179.92 1rml n LYS 119 N -3.14 2.00 -1.42 1.92 5.02 -1.25 -4.93 118.16 116.36 1rml n LYS 119 Ca -0.01 -1.89 -0.14 0.00 -2.02 0.00 0.00 58.31 54.24 1rml n LYS 119 Cb 0.18 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1rml n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rml n ASN 120 N 1.06 -4.96 -4.54 4.39 5.03 0.20 -4.81 115.26 111.62 1rml n ASN 120 Ca 0.14 0.36 -0.20 0.00 0.87 0.00 0.00 54.58 55.74 1rml n ASN 120 Cb 0.48 -3.74 -0.11 0.00 -1.02 0.00 0.00 39.78 35.40 1rml n ASN 120 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1rml n TRP 121 N -2.51 0.89 -0.49 3.10 8.01 -1.25 -4.40 117.44 120.80 1rml n TRP 121 Ca -0.14 0.03 -0.00 0.00 -1.31 0.00 0.00 57.50 56.07 1rml n TRP 121 Cb 0.51 -2.11 0.00 0.00 -2.01 0.00 0.00 31.31 27.71 1rml n TRP 121 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1rml n PHE 122 N 14.71 -2.97 -2.35 -5.99 3.01 0.32 -0.02 117.46 124.18 1rml n PHE 122 Ca 0.52 -0.01 -0.21 0.00 1.01 0.00 0.00 57.45 58.76 1rml n PHE 122 Cb 0.35 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.83 1rml n PHE 122 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1rml n VAL 123 N -2.53 2.18 -2.62 -4.37 3.14 -1.24 -4.39 118.33 108.49 1rml n VAL 123 Ca 0.00 -4.22 -0.07 0.00 -2.96 0.00 0.00 64.34 57.09 1rml n VAL 123 Cb 0.00 -0.73 0.03 0.00 -1.06 0.00 0.00 33.84 32.08 1rml n VAL 123 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rml n GLY 124 N -0.55 1.20 3.26 7.55 0.00 -1.26 -4.96 105.19 110.43 1rml n GLY 124 Ca 0.35 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 1rml n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rml s LEU 125 N 0.00 -0.54 -0.21 0.99 1.02 -1.24 -2.94 118.68 115.75 1rml s LEU 125 Ca 0.21 0.96 -0.37 0.00 0.02 0.00 0.00 54.13 54.96 1rml s LEU 125 Cb -0.01 1.33 -0.17 0.00 0.02 0.00 0.00 46.19 47.35 1rml s LEU 125 CO 0.14 -0.23 1.13 1.17 0.02 0.00 0.00 176.35 178.58 1rml n LYS 126 N 5.20 0.00 -0.40 1.70 4.81 -0.65 -4.59 118.16 124.23 1rml n LYS 126 Ca -0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.21 1rml n LYS 126 Cb 0.50 -1.27 -0.01 0.00 0.02 0.00 0.00 35.03 34.28 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 2.32 1.12 0.00 1.64 -0.00 -1.26 -2.30 118.16 119.68 1rml n LYS 127 Ca 0.22 -1.01 0.00 0.00 -0.00 0.00 0.00 58.31 57.52 1rml n LYS 127 Cb 0.01 -2.23 0.00 0.00 -0.00 0.00 0.00 35.03 32.80 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 4.54 0.00 0.00 -5.58 4.13 -1.26 -5.01 115.26 112.07 1rml n ASN 128 Ca 0.24 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1rml n ASN 128 Cb 0.07 0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 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 0.79 -0.20 3.65 7.41 0.00 -0.97 -4.78 105.19 111.08 1rml n GLY 129 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1rml n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rml s SER 130 N 0.00 -0.02 1.16 1.61 0.01 -1.25 -4.88 113.70 110.33 1rml s SER 130 Ca 0.00 0.04 -0.13 0.00 1.31 0.00 0.00 55.95 57.16 1rml s SER 130 Cb 0.00 0.04 0.26 0.00 0.21 0.00 0.00 66.02 66.52 1rml s SER 130 CO 0.00 -0.01 0.87 0.00 0.41 0.00 0.00 173.24 174.51 1rml s LYS 132 N -4.26 3.93 0.51 0.00 1.02 -1.15 -4.36 119.74 115.43 1rml s LYS 132 Ca 0.67 -0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.19 1rml s LYS 132 Cb -0.23 -3.24 -0.08 0.00 -0.52 0.00 0.00 37.83 33.75 1rml s LYS 132 CO 0.65 0.35 0.98 0.50 -0.92 0.00 0.00 175.35 176.91 1rml s ARG 133 N 0.18 3.98 0.10 1.68 3.52 -1.26 -4.58 118.95 122.56 1rml s ARG 133 Ca 0.06 0.98 -0.19 0.00 -0.13 0.00 0.00 55.73 56.44 1rml s ARG 133 Cb -0.12 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 1rml s ARG 133 CO -0.00 -0.25 1.19 0.41 -0.81 0.00 0.00 175.30 175.84 1rml n GLY 134 N -1.46 -2.34 2.26 8.12 0.00 -0.31 -0.31 105.19 111.15 1rml n GLY 134 Ca 0.07 0.87 -0.17 0.00 0.00 0.00 0.00 46.02 46.79 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 -4.47 2.01 0.00 1.61 -0.04 -1.26 -2.72 135.00 130.13 1rml n PRO 135 Ca 0.01 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1rml n PRO 135 Cb 0.16 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.14 0.00 -2.85 0.54 1.74 0.58 -5.06 116.66 114.76 1rml n ARG 136 Ca 0.43 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.30 1rml n ARG 136 Cb 0.49 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.91 1rml n ARG 136 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1rml n THR 137 N 0.00 1.70 -4.97 0.55 -1.04 -1.10 -4.18 114.28 105.25 1rml n THR 137 Ca 0.00 -4.72 -0.28 0.00 -2.04 0.00 0.00 64.05 57.01 1rml n THR 137 Cb 0.00 -0.70 -0.15 0.00 -1.82 0.00 0.00 70.33 67.66 1rml n THR 137 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1rml s HIS 138 N -3.16 2.00 0.00 -1.42 3.76 -1.26 0.12 115.29 115.33 1rml s HIS 138 Ca 0.42 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1rml s HIS 138 Cb 0.36 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.80 1rml s HIS 138 CO -0.10 0.02 0.00 2.48 -0.85 0.00 0.00 174.74 176.28 1rml n TYR 139 N 2.27 -2.09 0.00 1.40 4.11 -1.26 -4.92 117.16 116.66 1rml n TYR 139 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 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 2.25 2.09 0.30 -7.48 0.00 -1.26 -5.01 105.19 96.08 1rml n GLY 140 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.61 3.00 -1.26 -5.07 117.38 115.66 1rml n GLN 141 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1rml n GLN 141 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 30.24 30.14 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 -1.86 0.00 -0.28 -1.09 0.00 -1.26 -5.02 118.16 108.65 1rml n LYS 142 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1rml n LYS 142 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 35.03 35.23 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 2.66 0.00 0.58 0.00 -1.26 -3.93 120.51 118.56 1rml n ALA 143 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1rml n ALA 143 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.81 0.00 -1.54 0.00 -5.35 -1.26 -3.63 119.36 106.76 1rml n ILE 144 Ca 0.18 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.30 1rml n ILE 144 Cb 0.76 -0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.45 1rml n ILE 144 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1rml n LEU 145 N -1.19 2.09 -4.64 7.28 4.77 -1.26 -4.29 117.00 119.76 1rml n LEU 145 Ca 0.00 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 1rml n LEU 145 Cb 0.16 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 39.68 1rml n LEU 145 CO 0.00 -1.48 0.41 -0.36 -1.33 0.00 0.00 177.39 174.63 1rml s PHE 146 N 11.89 3.32 -0.45 -1.77 0.08 -1.26 0.11 117.98 129.90 1rml s PHE 146 Ca 1.02 0.89 -0.13 0.00 0.12 0.00 0.00 56.93 58.83 1rml s PHE 146 Cb -0.30 -2.85 0.07 0.00 -0.57 0.00 0.00 43.02 39.38 1rml s PHE 146 CO 0.29 -0.28 0.34 -1.17 -0.10 0.00 0.00 175.22 174.30 1rml s LEU 147 N 2.32 5.41 0.06 -0.37 1.98 0.22 -2.64 118.68 125.66 1rml s LEU 147 Ca 0.28 -1.35 -0.30 0.00 -2.89 0.00 0.00 54.13 49.86 1rml s LEU 147 Cb -0.16 -2.11 -0.05 0.00 0.66 0.00 0.00 46.19 44.53 1rml s LEU 147 CO 0.09 -0.59 1.16 -2.16 -1.89 0.00 0.00 176.35 172.96 1rml s PRO 148 N 1.57 4.46 -0.44 0.98 0.04 -1.26 -3.14 135.00 137.21 1rml s PRO 148 Ca 0.04 1.72 0.09 0.00 0.04 0.00 0.00 61.00 62.89 1rml s PRO 148 Cb -0.23 -3.36 0.32 0.00 0.04 0.00 0.00 34.50 31.27 1rml s PRO 148 CO 0.05 -0.21 0.73 1.47 0.04 0.00 0.00 177.00 179.08 1rml n LEU 149 N 3.82 1.67 -4.80 -3.56 -0.00 -1.12 -5.04 117.00 107.97 1rml n LEU 149 Ca 0.08 -5.12 -0.30 0.00 -0.00 0.00 0.00 56.01 50.68 1rml n LEU 149 Cb 0.47 0.33 0.09 0.00 -0.00 0.00 0.00 43.42 44.31 1rml n LEU 149 CO 0.55 2.24 0.71 -2.16 -0.00 0.00 0.00 177.39 178.73 1rml s PRO 150 N -2.38 2.05 -0.45 1.47 0.04 -1.26 -4.07 135.00 130.41 1rml s PRO 150 Ca 0.41 0.62 0.07 0.00 0.04 0.00 0.00 61.00 62.14 1rml s PRO 150 Cb 0.28 -1.92 0.33 0.00 0.04 0.00 0.00 34.50 33.24 1rml s PRO 150 CO -0.09 -1.64 1.15 1.33 0.04 0.00 0.00 177.00 177.79 1rml n VAL 151 N -3.44 0.00 -1.68 -0.36 0.24 0.51 -4.95 118.33 108.64 1rml n VAL 151 Ca 0.07 -1.57 -0.17 0.00 -2.04 0.00 0.00 64.34 60.63 1rml n VAL 151 Cb 0.56 1.38 -0.11 0.00 -1.47 0.00 0.00 33.84 34.20 1rml n VAL 151 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1rml s SER 152 N -1.29 3.67 -0.47 -1.34 0.15 -1.24 -4.63 113.70 108.55 1rml s SER 152 Ca 0.22 -1.11 0.09 0.00 0.70 0.00 0.00 55.95 55.85 1rml s SER 152 Cb 0.31 -2.60 0.36 0.00 -1.71 0.00 0.00 66.02 62.38 1rml s SER 152 CO -0.06 -4.52 0.89 -0.24 1.20 0.00 0.00 173.24 170.52 1rml n SER 153 N 18.88 2.98 0.00 5.45 2.88 -1.26 -5.15 113.62 137.40 1rml n SER 153 Ca 0.42 -3.37 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1rml n SER 153 Cb 0.47 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14