#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rml s PRO 25 N 0.00 4.49 -0.14 1.97 0.04 -1.26 -4.91 135.00 135.19 1rml s PRO 25 Ca 0.00 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 1rml s PRO 25 Cb 0.00 -2.97 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1rml s PRO 25 CO 0.00 0.11 0.36 0.21 0.04 0.00 0.00 177.00 177.72 1rml s LYS 26 N -1.79 0.41 -0.29 4.56 2.20 -1.26 -3.74 119.74 119.82 1rml s LYS 26 Ca 0.49 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.63 1rml s LYS 26 Cb -0.28 0.18 0.08 0.00 -1.51 0.00 0.00 37.83 36.30 1rml s LYS 26 CO 0.36 -0.06 0.00 -0.48 -0.36 0.00 0.00 175.35 174.81 1rml s LEU 27 N 0.29 3.39 1.06 5.43 0.05 -1.26 0.36 118.68 127.99 1rml s LEU 27 Ca -0.01 -1.64 -0.17 0.00 0.05 0.00 0.00 54.13 52.36 1rml s LEU 27 Cb -0.03 -1.32 0.23 0.00 -2.05 0.00 0.00 46.19 43.02 1rml s LEU 27 CO -0.00 -0.31 1.22 -0.22 -0.55 0.00 0.00 176.35 176.49 1rml s LEU 28 N 1.23 1.84 -0.13 1.48 0.20 -1.26 -3.26 118.68 118.77 1rml s LEU 28 Ca 0.03 0.45 -0.32 0.00 0.69 0.00 0.00 54.13 54.98 1rml s LEU 28 Cb -0.19 -2.38 0.13 0.00 -0.43 0.00 0.00 46.19 43.32 1rml s LEU 28 CO -0.10 -3.30 1.07 -0.47 -0.29 0.00 0.00 176.35 173.25 1rml s TYR 29 N -3.49 -0.24 -0.07 5.38 5.04 -1.21 -4.56 117.35 118.20 1rml s TYR 29 Ca 0.72 0.24 -0.30 0.00 -2.44 0.00 0.00 57.07 55.29 1rml s TYR 29 Cb -0.07 0.51 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 1rml s TYR 29 CO 0.54 -0.33 1.00 0.00 -1.34 0.00 0.00 175.55 175.42 1rml n SER 31 N 4.64 0.00 -3.24 0.00 2.88 0.62 -3.78 113.62 114.75 1rml n SER 31 Ca 0.08 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.51 1rml n SER 31 Cb 0.49 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.06 1rml n SER 31 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rml n ASN 32 N 0.00 -2.41 -2.57 -3.46 2.85 -1.26 -4.46 115.26 103.95 1rml n ASN 32 Ca 0.00 -0.30 -0.02 0.00 -0.11 0.00 0.00 54.58 54.15 1rml n ASN 32 Cb 0.00 -0.45 -0.01 0.00 1.24 0.00 0.00 39.78 40.56 1rml n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rml n GLY 33 N -1.34 1.32 0.00 8.20 0.00 -1.26 -4.67 105.19 107.45 1rml n GLY 33 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 3.16 1.04 3.76 -0.02 0.00 -1.25 -5.04 105.19 106.85 1rml n GLY 34 Ca 0.04 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 0.83 1.77 -0.30 1.61 3.76 -1.25 -4.52 115.29 117.19 1rml s HIS 35 Ca 0.00 -1.03 0.03 0.00 -0.15 0.00 0.00 55.06 53.91 1rml s HIS 35 Cb 0.00 -1.55 0.08 0.00 1.11 0.00 0.00 32.58 32.22 1rml s HIS 35 CO 0.00 0.16 0.00 -0.06 -0.85 0.00 0.00 174.74 173.99 1rml s PHE 36 N -2.92 3.12 0.39 1.40 0.40 0.33 0.56 117.98 121.26 1rml s PHE 36 Ca 0.03 -2.45 -0.19 0.00 -0.60 0.00 0.00 56.93 53.72 1rml s PHE 36 Cb 0.00 -2.28 -0.14 0.00 0.51 0.00 0.00 43.02 41.11 1rml s PHE 36 CO 0.02 -0.89 0.04 1.28 0.70 0.00 0.00 175.22 176.36 1rml n LEU 37 N 4.45 -2.82 -3.74 -0.37 4.77 -1.26 -2.82 117.00 115.22 1rml n LEU 37 Ca -0.04 0.72 -0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1rml n LEU 37 Cb 0.42 -0.81 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 1rml n LEU 37 CO 0.20 -4.00 -0.19 0.00 -1.33 0.00 0.00 177.39 172.07 1rml s ARG 38 N -0.92 0.14 -0.35 3.23 1.70 -0.72 -4.57 118.95 117.46 1rml s ARG 38 Ca 0.54 0.43 -0.09 0.00 -0.47 0.00 0.00 55.73 56.15 1rml s ARG 38 Cb -0.56 -0.16 0.03 0.00 -0.57 0.00 0.00 34.95 33.69 1rml s ARG 38 CO 0.59 -0.17 0.15 0.42 -1.08 0.00 0.00 175.30 175.21 1rml s ILE 39 N 1.21 4.21 0.16 4.99 1.09 -1.24 -3.34 121.20 128.28 1rml s ILE 39 Ca -0.09 -0.93 -0.20 0.00 -1.10 0.00 0.00 60.65 58.33 1rml s ILE 39 Cb -0.11 -3.33 -0.08 0.00 -1.06 0.00 0.00 42.46 37.88 1rml s ILE 39 CO -0.07 -0.17 0.67 -0.76 -0.10 0.00 0.00 174.94 174.51 1rml s LEU 40 N 1.49 4.45 0.00 2.97 1.43 -1.00 -4.72 118.68 123.30 1rml s LEU 40 Ca 0.01 1.38 0.06 0.00 -1.03 0.00 0.00 54.13 54.55 1rml s LEU 40 Cb -0.19 -3.29 0.35 0.00 0.03 0.00 0.00 46.19 43.09 1rml s LEU 40 CO 0.05 0.15 1.00 -0.81 0.23 0.00 0.00 176.35 176.97 1rml n PRO 41 N 1.20 0.75 -0.04 1.29 -0.04 -1.26 -2.37 135.00 134.52 1rml n PRO 41 Ca -0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 1rml n PRO 41 Cb 0.51 -1.12 -0.14 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.62 0.75 0.00 3.54 8.00 -1.26 -4.97 116.55 121.99 1rml n ASP 42 Ca 0.04 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1rml n ASP 42 Cb 0.02 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 1.63 1.88 3.23 0.44 0.00 -1.00 -5.13 105.19 106.23 1rml n GLY 43 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 1.76 0.38 2.61 2.01 -1.26 -4.74 115.64 114.40 1rml s THR 44 Ca 0.00 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1rml s THR 44 Cb 0.00 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1rml s THR 44 CO 0.00 0.50 0.15 -0.69 -0.69 0.00 0.00 174.62 173.89 1rml s VAL 45 N -0.30 2.61 -2.13 3.82 1.01 -1.26 -2.37 120.40 121.79 1rml s VAL 45 Ca 0.02 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1rml s VAL 45 Cb -0.11 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1rml s VAL 45 CO 0.01 -0.09 0.00 -0.90 0.00 0.00 0.00 175.10 174.12 1rml n ASP 46 N -1.18 0.00 -3.89 3.32 5.68 -1.21 -4.78 116.55 114.49 1rml n ASP 46 Ca -0.02 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.13 1rml n ASP 46 Cb 0.63 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.47 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 0.10 -0.19 6.12 0.00 -1.26 -1.75 107.32 110.34 1rml s GLY 47 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 1rml s GLY 47 CO 0.00 0.02 -0.05 -1.59 0.00 0.00 0.00 173.10 171.48 1rml s THR 48 N 0.08 3.54 0.18 0.90 2.01 -1.13 -4.14 115.64 117.09 1rml s THR 48 Ca -0.01 -0.46 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 1rml s THR 48 Cb -0.02 -2.58 0.17 0.00 0.01 0.00 0.00 72.50 70.09 1rml s THR 48 CO -0.00 0.46 1.27 -1.14 -0.69 0.00 0.00 174.62 174.51 1rml n ARG 49 N 4.19 -0.21 -3.74 4.92 0.63 -1.26 0.12 116.66 121.32 1rml n ARG 49 Ca -0.18 1.26 -0.28 0.00 -0.92 0.00 0.00 57.85 57.72 1rml n ARG 49 Cb 0.52 -1.86 -0.16 0.00 0.45 0.00 0.00 32.46 31.41 1rml n ARG 49 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1rml s ASP 50 N -5.30 3.32 0.01 6.15 1.11 -1.26 -3.92 116.67 116.77 1rml s ASP 50 Ca -0.11 -1.09 -0.08 0.00 0.18 0.00 0.00 52.55 51.45 1rml s ASP 50 Cb 0.16 -0.70 -0.04 0.00 1.07 0.00 0.00 42.92 43.42 1rml s ASP 50 CO 0.58 -0.34 0.20 -2.11 1.18 0.00 0.00 175.17 174.68 1rml n ARG 51 N 4.98 0.00 0.00 8.23 -4.01 -1.24 -4.84 116.66 119.78 1rml n ARG 51 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 1rml n ARG 51 Cb 0.45 -0.29 0.00 0.00 -3.04 0.00 0.00 32.46 29.58 1rml n ARG 51 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1rml n SER 52 N 0.32 0.00 -2.74 2.89 3.41 -1.26 -5.11 113.62 111.13 1rml n SER 52 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.55 1rml n SER 52 Cb 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 2.23 0.09 4.04 2.03 -1.26 -5.04 116.55 118.63 1rml n ASP 53 Ca 0.00 -1.69 -0.05 0.00 0.52 0.00 0.00 54.79 53.57 1rml n ASP 53 Cb 0.00 0.14 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 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 0.02 -0.53 -0.67 -0.00 -2.02 -3.44 115.11 108.48 1rml h GLN 54 Ca -0.13 -0.03 0.16 0.00 -0.00 0.00 0.00 58.65 58.66 1rml h GLN 54 Cb 0.39 0.01 -0.20 0.00 -0.00 0.00 0.00 27.48 27.68 1rml h GLN 54 CO 0.21 0.88 -0.09 -1.01 -0.00 0.00 0.00 178.83 178.81 1rml s HIS 55 N -3.04 -0.94 -0.66 0.06 3.76 -1.26 -5.00 115.29 108.20 1rml s HIS 55 Ca -0.00 0.70 0.05 0.00 -0.15 0.00 0.00 55.06 55.66 1rml s HIS 55 Cb 0.11 0.22 0.06 0.00 1.11 0.00 0.00 32.58 34.07 1rml s HIS 55 CO 0.80 -0.54 0.73 0.44 -0.85 0.00 0.00 174.74 175.33 1rml n ILE 56 N 5.31 0.13 -1.18 0.60 -6.64 -1.26 -3.63 119.36 112.68 1rml n ILE 56 Ca 0.03 -0.56 -0.36 0.00 -1.77 0.00 0.00 62.75 60.09 1rml n ILE 56 Cb 0.55 1.04 0.07 0.00 -1.44 0.00 0.00 39.64 39.86 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 0.27 0.19 -4.17 6.28 6.02 -1.26 -4.12 117.38 120.60 1rml n GLN 57 Ca 0.04 0.10 -0.17 0.00 -0.01 0.00 0.00 57.00 56.96 1rml n GLN 57 Cb 0.16 -1.77 -0.05 0.00 1.02 0.00 0.00 30.24 29.60 1rml n GLN 57 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rml s LEU 58 N 0.16 1.37 -0.25 1.08 1.02 0.16 -4.46 118.68 117.76 1rml s LEU 58 Ca 0.63 -1.65 -0.26 0.00 0.02 0.00 0.00 54.13 52.86 1rml s LEU 58 Cb -0.33 1.13 0.12 0.00 0.02 0.00 0.00 46.19 47.14 1rml s LEU 58 CO 0.61 -1.24 1.03 -1.58 0.02 0.00 0.00 176.35 175.18 1rml s GLN 59 N -3.08 0.53 0.27 1.70 0.74 -1.25 -4.12 119.66 114.45 1rml s GLN 59 Ca 0.35 0.46 0.08 0.00 0.05 0.00 0.00 55.36 56.30 1rml s GLN 59 Cb 0.00 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1rml s GLN 59 CO 0.25 -0.10 0.09 -0.51 -0.55 0.00 0.00 175.29 174.47 1rml s LEU 60 N -0.16 3.46 -0.35 3.68 1.43 -1.26 0.10 118.68 125.58 1rml s LEU 60 Ca 0.02 -0.49 0.15 0.00 -1.03 0.00 0.00 54.13 52.78 1rml s LEU 60 Cb -0.04 -1.99 0.42 0.00 0.03 0.00 0.00 46.19 44.62 1rml s LEU 60 CO -0.04 -0.04 0.94 -0.24 0.23 0.00 0.00 176.35 177.20 1rml n SER 61 N -1.04 0.81 -4.55 2.29 2.88 0.46 -4.81 113.62 109.65 1rml n SER 61 Ca -0.07 -2.80 -0.61 0.00 -1.33 0.00 0.00 58.87 54.06 1rml n SER 61 Cb 0.59 -0.30 -0.08 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.01 -3.11 0.03 -1.46 0.00 -1.26 -2.71 120.51 112.00 1rml n ALA 62 Ca 0.12 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1rml n ALA 62 Cb 0.78 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 2.06 -0.22 0.00 0.00 0.28 -1.17 -4.81 120.64 116.78 1rml n GLU 63 Ca 0.22 -0.49 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 1rml n GLU 63 Cb 0.05 -0.97 0.00 0.00 1.43 0.00 0.00 31.44 31.95 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 -0.06 0.00 -4.07 -1.84 7.64 -0.77 -5.02 113.62 109.51 1rml n SER 64 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1rml n SER 64 Cb 0.02 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.09 -0.95 0.44 0.24 -1.26 0.24 118.33 118.12 1rml n VAL 65 Ca 0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 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 2.07 0.49 3.15 7.63 0.00 0.57 -4.90 105.19 114.20 1rml n GLY 66 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.46 0.29 0.28 1.61 2.12 0.14 -3.78 118.70 118.89 1rml s GLU 67 Ca 0.00 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.81 1rml s GLU 67 Cb 0.00 0.23 -0.06 0.00 0.26 0.00 0.00 34.13 34.56 1rml s GLU 67 CO 0.00 -0.41 -0.00 0.14 -0.54 0.00 0.00 175.26 174.45 1rml s VAL 68 N 2.92 1.30 0.38 3.70 -7.23 -1.04 -1.85 120.40 118.58 1rml s VAL 68 Ca 0.12 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1rml s VAL 68 Cb -0.09 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1rml s VAL 68 CO -0.18 -0.21 0.16 -0.31 -0.31 0.00 0.00 175.10 174.25 1rml s TYR 69 N -3.24 2.65 -0.11 2.82 2.02 -1.10 0.92 117.35 121.32 1rml s TYR 69 Ca 0.31 -0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 1rml s TYR 69 Cb 0.06 -1.80 0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1rml s TYR 69 CO 0.12 0.25 0.26 0.42 -1.57 0.00 0.00 175.55 175.03 1rml s ILE 70 N -2.51 -0.04 -0.34 2.71 1.01 -1.26 0.17 121.20 120.95 1rml s ILE 70 Ca 0.40 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 61.18 1rml s ILE 70 Cb 0.00 -0.39 0.14 0.00 0.01 0.00 0.00 42.46 42.22 1rml s ILE 70 CO 0.23 0.05 0.25 -0.75 0.00 0.00 0.00 174.94 174.72 1rml s LYS 71 N 1.17 0.47 -1.02 2.79 2.20 0.11 -1.52 119.74 123.94 1rml s LYS 71 Ca -0.08 -0.89 -0.27 0.00 -0.36 0.00 0.00 55.97 54.37 1rml s LYS 71 Cb -0.09 -1.03 -0.21 0.00 -1.51 0.00 0.00 37.83 34.98 1rml s LYS 71 CO -0.08 -1.15 2.18 0.45 -0.36 0.00 0.00 175.35 176.39 1rml s SER 72 N 1.54 3.49 -0.53 1.43 0.15 -0.43 -3.86 113.70 115.49 1rml s SER 72 Ca 0.15 -0.76 -0.34 0.00 0.70 0.00 0.00 55.95 55.70 1rml s SER 72 Cb -0.18 -2.59 -0.14 0.00 -1.71 0.00 0.00 66.02 61.40 1rml s SER 72 CO -0.12 -4.62 2.34 1.07 1.20 0.00 0.00 173.24 173.11 1rml n THR 73 N 9.01 0.08 0.00 6.45 5.66 -1.26 -3.40 114.28 130.82 1rml n THR 73 Ca 0.42 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1rml n THR 73 Cb 0.46 -1.48 0.00 0.00 -1.55 0.00 0.00 70.33 67.76 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 8.34 0.00 -2.29 1.09 4.07 -1.26 -4.84 120.64 125.74 1rml n GLU 74 Ca 0.47 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.56 1rml n GLU 74 Cb 0.21 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.66 1rml n GLU 74 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1rml n THR 75 N 0.00 0.34 -4.01 6.31 5.66 -1.22 -5.02 114.28 116.34 1rml n THR 75 Ca 0.00 -1.33 -0.40 0.00 -3.05 0.00 0.00 64.05 59.27 1rml n THR 75 Cb 0.00 0.99 0.02 0.00 -1.55 0.00 0.00 70.33 69.79 1rml n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rml n GLY 76 N -0.81 -0.79 3.14 1.09 0.00 -1.26 -4.92 105.19 101.64 1rml n GLY 76 Ca -0.11 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1rml n GLY 76 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rml s GLN 77 N -6.91 2.84 -0.26 1.61 0.74 -1.26 -4.91 119.66 111.51 1rml s GLN 77 Ca 0.39 -0.79 -0.11 0.00 0.05 0.00 0.00 55.36 54.90 1rml s GLN 77 Cb -0.22 -2.32 -0.05 0.00 1.10 0.00 0.00 33.01 31.52 1rml s GLN 77 CO 0.86 -0.03 0.18 0.71 -0.55 0.00 0.00 175.29 176.45 1rml s TYR 78 N 0.87 3.25 0.28 1.67 1.51 -1.26 -1.31 117.35 122.37 1rml s TYR 78 Ca -0.06 0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 1rml s TYR 78 Cb -0.15 -2.33 -0.11 0.00 -0.11 0.00 0.00 41.96 39.25 1rml s TYR 78 CO -0.02 -0.07 1.54 -1.17 -1.11 0.00 0.00 175.55 174.71 1rml s LEU 79 N 1.48 4.36 0.37 -1.29 1.98 -0.57 -3.09 118.68 121.92 1rml s LEU 79 Ca 0.07 2.85 -0.08 0.00 -2.89 0.00 0.00 54.13 54.08 1rml s LEU 79 Cb -0.15 -3.63 0.03 0.00 0.66 0.00 0.00 46.19 43.10 1rml s LEU 79 CO 0.08 -0.84 0.62 0.00 -1.89 0.00 0.00 176.35 174.33 1rml s ALA 80 N 0.00 0.14 -0.18 5.97 0.00 0.11 -4.49 121.76 123.30 1rml s ALA 80 Ca 0.62 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1rml s ALA 80 Cb -0.46 0.94 0.09 0.00 0.00 0.00 0.00 23.12 23.69 1rml s ALA 80 CO 0.46 -0.88 0.25 -1.64 0.00 0.00 0.00 175.76 173.95 1rml s MET 81 N -2.64 0.19 1.10 0.00 -1.94 -1.25 -0.90 119.30 113.86 1rml s MET 81 Ca 0.24 0.41 -0.17 0.00 -1.71 0.00 0.00 55.69 54.47 1rml s MET 81 Cb -0.03 -0.75 0.24 0.00 2.01 0.00 0.00 34.83 36.31 1rml s MET 81 CO 0.17 -0.54 1.14 -0.51 -0.01 0.00 0.00 175.02 175.27 1rml s ASP 82 N 2.38 1.78 0.66 3.03 1.01 -1.25 -4.72 116.67 119.57 1rml s ASP 82 Ca 0.06 0.71 0.32 0.00 0.71 0.00 0.00 52.55 54.34 1rml s ASP 82 Cb -0.14 -1.03 1.74 0.00 1.01 0.00 0.00 42.92 44.49 1rml s ASP 82 CO -0.11 -3.60 1.98 0.74 0.21 0.00 0.00 175.17 174.38 1rml h THR 83 N -2.22 0.00 -0.35 -1.27 2.02 -1.94 1.47 112.91 110.61 1rml h THR 83 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1rml h THR 83 Cb 1.30 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1rml h THR 83 CO 0.42 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.78 1rml n ASP 84 N -2.90 2.53 -1.73 4.18 8.00 -1.26 -4.79 116.55 120.58 1rml n ASP 84 Ca -0.02 -2.17 -0.07 0.00 0.71 0.00 0.00 54.79 53.24 1rml n ASP 84 Cb 0.33 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1rml n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rml n GLY 85 N 0.83 0.16 3.47 0.44 0.00 0.50 0.98 105.19 111.57 1rml n GLY 85 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.90 4.79 -0.48 0.99 0.20 -1.25 -2.77 118.68 116.26 1rml s LEU 86 Ca 0.00 -0.74 -0.44 0.00 0.69 0.00 0.00 54.13 53.64 1rml s LEU 86 Cb 0.00 -2.53 -0.19 0.00 -0.43 0.00 0.00 46.19 43.04 1rml s LEU 86 CO 0.00 -0.88 1.60 0.18 -0.29 0.00 0.00 176.35 176.96 1rml n LEU 87 N 6.27 1.08 -4.14 -0.68 4.32 -1.26 -3.74 117.00 118.85 1rml n LEU 87 Ca -0.05 1.06 -0.10 0.00 -0.02 0.00 0.00 56.01 56.90 1rml n LEU 87 Cb 0.46 -0.84 -0.10 0.00 -1.62 0.00 0.00 43.42 41.32 1rml n LEU 87 CO 0.54 -0.79 -0.25 -0.72 -1.22 0.00 0.00 177.39 174.96 1rml s TYR 88 N 3.30 0.88 0.18 -1.77 1.13 -0.08 -4.30 117.35 116.70 1rml s TYR 88 Ca 1.02 -1.22 0.08 0.00 -1.41 0.00 0.00 57.07 55.54 1rml s TYR 88 Cb -1.43 -0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 38.94 1rml s TYR 88 CO 0.76 -0.58 -0.01 0.20 -2.51 0.00 0.00 175.55 173.41 1rml s GLY 89 N -3.07 1.72 -0.18 5.49 0.00 -1.26 0.04 107.32 110.05 1rml s GLY 89 Ca 0.27 -1.40 -0.25 0.00 0.00 0.00 0.00 44.72 43.34 1rml s GLY 89 CO 0.04 -1.42 0.66 -0.45 0.00 0.00 0.00 173.10 171.93 1rml s SER 90 N -3.00 -0.67 0.00 1.64 0.15 -1.18 -4.96 113.70 105.68 1rml s SER 90 Ca 0.28 1.10 0.16 0.00 0.70 0.00 0.00 55.95 58.18 1rml s SER 90 Cb -0.09 1.07 0.87 0.00 -1.71 0.00 0.00 66.02 66.16 1rml s SER 90 CO 0.18 -0.36 1.57 1.67 1.20 0.00 0.00 173.24 177.50 1rml n GLN 91 N 2.09 1.09 -3.84 5.44 7.27 -1.26 -4.03 117.38 124.14 1rml n GLN 91 Ca -0.16 -0.14 -0.33 0.00 0.07 0.00 0.00 57.00 56.44 1rml n GLN 91 Cb 0.56 -1.25 -0.12 0.00 2.41 0.00 0.00 30.24 31.84 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 -1.97 3.09 -0.58 1.69 -4.23 -1.26 -5.05 115.64 107.34 1rml s THR 92 Ca 0.24 -2.97 -0.28 0.00 -1.18 0.00 0.00 61.69 57.50 1rml s THR 92 Cb 0.11 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1rml s THR 92 CO 0.18 -0.80 1.51 -2.16 -0.54 0.00 0.00 174.62 172.81 1rml s PRO 93 N 0.03 3.16 0.14 3.99 0.04 -1.26 -4.54 135.00 136.56 1rml s PRO 93 Ca 0.16 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.68 1rml s PRO 93 Cb -0.23 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.12 1rml s PRO 93 CO -0.03 -2.11 0.14 0.09 0.04 0.00 0.00 177.00 175.13 1rml n ASN 94 N 10.21 -0.36 -0.63 6.66 3.02 -1.26 -4.91 115.26 128.00 1rml n ASN 94 Ca 0.13 -1.90 0.47 0.00 -0.03 0.00 0.00 54.58 53.25 1rml n ASN 94 Cb 0.50 0.78 0.73 0.00 -0.61 0.00 0.00 39.78 41.19 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 -0.26 -0.00 0.08 3.52 4.71 -1.26 0.17 120.64 127.59 1rml n GLU 95 Ca 0.03 1.00 -0.12 0.00 -0.01 0.00 0.00 57.16 58.06 1rml n GLU 95 Cb 0.25 -2.27 -0.08 0.00 -1.01 0.00 0.00 31.44 28.33 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 -0.25 -0.52 3.49 4.81 -1.91 -3.24 114.58 116.96 1rml h GLU 96 Ca 0.85 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 60.15 1rml h GLU 96 Cb 3.35 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 32.74 1rml h GLU 96 CO -0.05 0.15 0.25 0.00 -0.73 0.00 0.00 179.01 178.63 1rml n LEU 98 N -4.90 -2.66 -3.36 0.00 4.77 0.45 -4.28 117.00 107.02 1rml n LEU 98 Ca 0.05 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1rml n LEU 98 Cb 0.15 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1rml n LEU 98 CO 0.28 -2.78 -0.12 -0.36 -1.33 0.00 0.00 177.39 173.08 1rml s PHE 99 N -2.12 -0.73 -0.94 -1.77 0.08 0.26 -4.26 117.98 108.51 1rml s PHE 99 Ca 0.46 0.13 -0.23 0.00 0.12 0.00 0.00 56.93 57.40 1rml s PHE 99 Cb -0.00 -0.29 -0.24 0.00 -0.57 0.00 0.00 43.02 41.92 1rml s PHE 99 CO 0.65 -0.93 2.48 1.28 -0.10 0.00 0.00 175.22 178.60 1rml n LEU 100 N 5.33 0.01 -4.63 -0.37 4.77 -0.53 -2.49 117.00 119.10 1rml n LEU 100 Ca -0.01 -0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 55.44 1rml n LEU 100 Cb 0.48 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1rml n LEU 100 CO -0.00 -1.15 -0.38 -0.70 -1.33 0.00 0.00 177.39 173.83 1rml s GLU 101 N 8.28 2.37 0.00 3.23 -6.30 -1.25 -0.51 118.70 124.52 1rml s GLU 101 Ca 1.28 -0.90 0.00 0.00 -2.50 0.00 0.00 54.97 52.86 1rml s GLU 101 Cb -0.95 -2.44 0.00 0.00 0.00 0.00 0.00 34.13 30.74 1rml s GLU 101 CO 0.47 0.54 0.00 2.89 0.02 0.00 0.00 175.26 179.18 1rml n ARG 102 N 0.78 0.00 0.00 4.30 0.00 -1.18 0.21 116.66 120.77 1rml n ARG 102 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1rml n ARG 102 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.98 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 0.00 0.00 -0.12 2.89 0.00 -1.26 -4.89 117.00 113.62 1rml n LEU 103 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.78 1rml n LEU 103 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1rml n LEU 103 CO 0.00 0.00 -1.29 1.21 0.00 0.00 0.00 177.39 177.31 1rml n GLU 104 N 0.00 0.52 0.00 1.96 0.00 -1.26 -4.94 120.64 116.92 1rml n GLU 104 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.36 1rml n GLU 104 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.07 1rml n GLU 104 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1rml n GLU 105 N -3.82 1.34 -2.52 5.31 2.13 -1.26 -5.06 120.64 116.76 1rml n GLU 105 Ca -0.45 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.11 1rml n GLU 105 Cb 0.86 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.57 1rml n GLU 105 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1rml n ASN 106 N 0.00 4.49 0.00 4.31 2.85 -1.26 -4.72 115.26 120.93 1rml n ASN 106 Ca 0.00 -3.65 0.00 0.00 -0.11 0.00 0.00 54.58 50.82 1rml n ASN 106 Cb 0.00 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 40.55 1rml n ASN 106 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1rml n HIS 107 N -0.44 0.00 -1.81 1.20 8.25 -1.26 -5.15 115.22 116.02 1rml n HIS 107 Ca 0.37 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.51 1rml n HIS 107 Cb 0.65 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.79 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 3.28 -0.42 4.41 2.02 -1.26 -4.77 117.35 120.61 1rml s TYR 108 Ca 0.00 1.40 0.11 0.00 -0.37 0.00 0.00 57.07 58.21 1rml s TYR 108 Cb 0.00 -2.84 0.36 0.00 -0.40 0.00 0.00 41.96 39.08 1rml s TYR 108 CO 0.00 -0.97 0.83 0.09 -1.57 0.00 0.00 175.55 173.93 1rml n ASN 109 N -2.70 2.01 -3.73 2.29 4.13 -1.22 -4.03 115.26 112.01 1rml n ASN 109 Ca 0.07 -3.18 -0.34 0.00 1.68 0.00 0.00 54.58 52.81 1rml n ASN 109 Cb 0.54 -0.59 0.01 0.00 -1.54 0.00 0.00 39.78 38.20 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 0.07 0.00 -4.40 3.41 -2.24 -1.26 -4.62 114.28 105.25 1rml n THR 110 Ca 0.25 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 1rml n THR 110 Cb 0.61 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 1rml n THR 110 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rml s TYR 111 N -1.76 1.72 -0.25 4.78 1.51 -1.26 -3.11 117.35 118.98 1rml s TYR 111 Ca 0.50 -1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.04 1rml s TYR 111 Cb -0.43 -0.96 0.09 0.00 -0.11 0.00 0.00 41.96 40.56 1rml s TYR 111 CO 0.59 -0.50 0.58 0.42 -1.11 0.00 0.00 175.55 175.52 1rml s ILE 112 N -3.40 -0.42 -0.51 2.71 1.01 0.33 -3.01 121.20 117.91 1rml s ILE 112 Ca 0.32 0.05 -0.32 0.00 0.00 0.00 0.00 60.65 60.69 1rml s ILE 112 Cb 0.03 -0.86 -0.16 0.00 0.01 0.00 0.00 42.46 41.48 1rml s ILE 112 CO 0.19 0.02 1.84 -0.24 0.00 0.00 0.00 174.94 176.74 1rml n SER 113 N 4.84 0.50 0.23 3.58 2.88 0.30 -1.45 113.62 124.50 1rml n SER 113 Ca -0.16 0.43 0.10 0.00 -1.33 0.00 0.00 58.87 57.91 1rml n SER 113 Cb 0.54 -0.72 0.54 0.00 -0.75 0.00 0.00 64.21 63.81 1rml n SER 113 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1rml h LYS 114 N 7.86 0.00 0.00 -1.46 3.11 -1.77 0.57 116.57 124.88 1rml h LYS 114 Ca -0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1rml h LYS 114 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1rml h LYS 114 CO 0.94 0.22 0.00 1.17 -2.81 0.00 0.00 179.45 178.97 1rml n LYS 115 N -3.60 0.04 -2.66 1.90 4.81 -1.24 -4.04 118.16 113.38 1rml n LYS 115 Ca -0.01 0.26 -0.04 0.00 -0.87 0.00 0.00 58.31 57.65 1rml n LYS 115 Cb 0.36 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 33.99 1rml n LYS 115 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1rml n HIS 116 N -1.45 -0.20 1.63 5.64 1.44 -0.42 -4.99 115.22 116.88 1rml n HIS 116 Ca 0.04 -0.58 0.07 0.00 -2.01 0.00 0.00 57.72 55.24 1rml n HIS 116 Cb 0.14 1.05 0.33 0.00 0.12 0.00 0.00 29.99 31.62 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 1.34 2.54 0.39 1.59 0.00 0.18 -3.44 120.51 123.12 1rml n ALA 117 Ca -0.01 -0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.30 1rml n ALA 117 Cb 0.72 -1.13 0.50 0.00 0.00 0.00 0.00 19.45 19.54 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 0.88 0.00 -0.02 0.00 4.81 -1.93 -2.18 114.58 116.15 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 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1rml h GLU 118 CO 0.00 0.00 -0.22 1.17 -0.73 0.00 0.00 179.01 179.23 1rml n LYS 119 N -2.56 1.57 -1.36 1.92 4.81 -1.22 -4.95 118.16 116.37 1rml n LYS 119 Ca 0.02 -1.09 -0.12 0.00 -0.87 0.00 0.00 58.31 56.25 1rml n LYS 119 Cb 0.31 -1.31 -0.05 0.00 0.02 0.00 0.00 35.03 34.00 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 0.29 -4.44 -4.54 3.14 5.03 -0.82 -4.85 115.26 109.08 1rml n ASN 120 Ca 0.08 0.29 -0.31 0.00 0.87 0.00 0.00 54.58 55.51 1rml n ASN 120 Cb 0.38 -3.01 -0.08 0.00 -1.02 0.00 0.00 39.78 36.05 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 -2.67 1.07 -1.85 3.10 8.01 -1.26 -4.55 117.44 119.29 1rml n TRP 121 Ca -0.12 0.13 -0.30 0.00 -1.31 0.00 0.00 57.50 55.91 1rml n TRP 121 Cb 0.40 -2.40 0.16 0.00 -2.01 0.00 0.00 31.31 27.46 1rml n TRP 121 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1rml s PHE 122 N 11.08 1.93 -0.31 -5.99 0.08 -0.84 0.11 117.98 124.04 1rml s PHE 122 Ca 1.08 0.47 0.10 0.00 0.12 0.00 0.00 56.93 58.70 1rml s PHE 122 Cb -0.45 -3.88 0.62 0.00 -0.57 0.00 0.00 43.02 38.74 1rml s PHE 122 CO 0.30 -2.49 1.64 1.55 -0.10 0.00 0.00 175.22 176.12 1rml n VAL 123 N -3.72 2.73 -3.38 -0.44 3.14 -1.16 -4.67 118.33 110.83 1rml n VAL 123 Ca 0.13 -2.09 -0.45 0.00 -2.96 0.00 0.00 64.34 58.97 1rml n VAL 123 Cb 0.60 -0.34 -0.07 0.00 -1.06 0.00 0.00 33.84 32.96 1rml n VAL 123 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1rml s GLY 124 N -1.74 2.06 -0.13 7.55 0.00 -1.25 -4.67 107.32 109.14 1rml s GLY 124 Ca 0.50 -2.27 -0.29 0.00 0.00 0.00 0.00 44.72 42.66 1rml s GLY 124 CO 0.08 1.10 2.13 1.04 0.00 0.00 0.00 173.10 177.45 1rml n LEU 125 N 5.20 3.57 -1.05 0.66 4.32 -1.26 -4.45 117.00 123.99 1rml n LEU 125 Ca -0.13 0.46 -0.15 0.00 -0.02 0.00 0.00 56.01 56.18 1rml n LEU 125 Cb 0.42 -1.54 -0.02 0.00 -1.62 0.00 0.00 43.42 40.66 1rml n LEU 125 CO 0.49 -0.36 0.31 1.17 -1.22 0.00 0.00 177.39 177.78 1rml n LYS 126 N 8.29 0.00 -0.27 3.23 4.81 -1.26 -4.42 118.16 128.54 1rml n LYS 126 Ca 0.26 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.54 1rml n LYS 126 Cb 0.43 -0.34 -0.04 0.00 0.02 0.00 0.00 35.03 35.10 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 1.19 0.30 0.00 1.64 -0.00 -1.26 -2.82 118.16 117.21 1rml n LYS 127 Ca 0.09 -0.80 0.00 0.00 -0.00 0.00 0.00 58.31 57.60 1rml n LYS 127 Cb -0.01 -2.22 0.00 0.00 -0.00 0.00 0.00 35.03 32.79 1rml n LYS 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1rml n ASN 128 N 6.06 0.58 0.00 -5.58 2.85 -1.26 -5.04 115.26 112.88 1rml n ASN 128 Ca 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1rml n ASN 128 Cb 0.14 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.16 1rml n ASN 128 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rml n GLY 129 N 1.99 0.40 0.00 8.20 0.00 -1.13 -4.96 105.19 109.69 1rml n GLY 129 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.53 1.61 2.88 -1.26 -5.03 113.62 107.29 1rml n SER 130 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1rml n SER 130 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1rml n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rml s LYS 132 N -1.91 1.85 0.50 0.00 3.01 -1.26 -4.98 119.74 116.95 1rml s LYS 132 Ca 0.65 -2.03 0.07 0.00 -1.01 0.00 0.00 55.97 53.64 1rml s LYS 132 Cb -0.55 -1.40 0.07 0.00 -1.01 0.00 0.00 37.83 34.93 1rml s LYS 132 CO 0.56 -0.08 0.54 2.89 0.51 0.00 0.00 175.35 179.78 1rml n ARG 133 N -0.86 0.71 -0.12 1.68 1.85 -1.26 -4.31 116.66 114.34 1rml n ARG 133 Ca -0.04 -2.93 -0.09 0.00 -1.00 0.00 0.00 57.85 53.79 1rml n ARG 133 Cb 0.67 0.06 -0.07 0.00 -1.05 0.00 0.00 32.46 32.06 1rml n ARG 133 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1rml h GLY 134 N 0.34 -1.32 -4.68 2.89 0.00 0.80 -1.51 103.07 99.59 1rml h GLY 134 Ca -0.28 0.78 -0.30 0.00 0.00 0.00 0.00 47.33 47.54 1rml h GLY 134 CO 0.42 -0.31 1.25 -1.55 0.00 0.00 0.00 176.54 176.34 1rml n PRO 135 N -4.54 2.05 0.00 4.80 -0.04 -1.26 -2.75 135.00 133.26 1rml n PRO 135 Ca -0.02 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1rml n PRO 135 Cb 0.23 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.18 0.00 -3.17 0.54 5.12 -0.57 -5.11 116.66 116.65 1rml n ARG 136 Ca 0.44 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.38 1rml n ARG 136 Cb 0.47 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.76 1rml n ARG 136 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1rml s THR 137 N 0.00 -0.95 0.06 0.55 -1.32 -1.11 -4.37 115.64 108.51 1rml s THR 137 Ca 0.00 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1rml s THR 137 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1rml s THR 137 CO 0.00 -0.04 0.08 1.41 -2.21 0.00 0.00 174.62 173.86 1rml n HIS 138 N 5.41 -0.50 0.00 9.09 8.25 -1.26 -1.99 115.22 134.22 1rml n HIS 138 Ca 0.04 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1rml n HIS 138 Cb 0.53 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.10 -0.47 -0.87 4.41 9.36 -1.26 -3.99 117.16 124.23 1rml n TYR 139 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.20 1rml n TYR 139 Cb 0.10 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.80 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 0.27 2.61 2.98 0.00 -1.26 -4.86 105.19 104.93 1rml n GLY 140 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.82 0.10 0.36 1.61 -0.21 -1.26 -4.97 119.66 113.48 1rml s GLN 141 Ca 0.00 -0.16 0.13 0.00 0.02 0.00 0.00 55.36 55.35 1rml s GLN 141 Cb 0.00 -1.62 0.72 0.00 1.00 0.00 0.00 33.01 33.11 1rml s GLN 141 CO 0.00 -0.75 1.30 0.87 -2.12 0.00 0.00 175.29 174.59 1rml h LYS 142 N 8.41 0.00 -1.03 2.91 1.79 -1.92 0.61 116.57 127.34 1rml h LYS 142 Ca -0.16 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.57 1rml h LYS 142 Cb 1.12 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.67 1rml h LYS 142 CO 0.32 0.00 0.65 0.00 -1.08 0.00 0.00 179.45 179.34 1rml h ALA 143 N 1.08 2.10 -0.44 3.86 0.00 -1.86 1.11 119.26 125.10 1rml h ALA 143 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1rml h ALA 143 Cb 0.71 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1rml h ALA 143 CO 0.00 -0.52 -0.06 -0.84 0.00 0.00 0.00 179.25 177.83 1rml h ILE 144 N 0.45 1.25 -3.20 0.00 3.07 -1.08 -3.34 117.51 114.66 1rml h ILE 144 Ca 0.61 -1.07 -0.57 0.00 1.55 0.00 0.00 64.86 65.38 1rml h ILE 144 Cb 1.41 0.97 -0.05 0.00 -0.27 0.00 0.00 36.82 38.88 1rml h ILE 144 CO -0.34 0.37 1.04 -0.76 -1.05 0.00 0.00 178.15 177.41 1rml s LEU 145 N -9.08 3.71 -0.19 0.16 1.02 0.38 -3.98 118.68 110.71 1rml s LEU 145 Ca -0.09 1.02 -0.03 0.00 0.02 0.00 0.00 54.13 55.04 1rml s LEU 145 Cb 0.14 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.80 1rml s LEU 145 CO 0.81 -1.29 -0.05 -0.36 0.02 0.00 0.00 176.35 175.48 1rml s PHE 146 N 5.04 2.96 -0.43 0.29 0.08 -1.26 0.23 117.98 124.89 1rml s PHE 146 Ca 0.60 -0.70 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 1rml s PHE 146 Cb -0.15 -2.04 0.11 0.00 -0.57 0.00 0.00 43.02 40.37 1rml s PHE 146 CO 0.29 -0.36 0.26 -1.17 -0.10 0.00 0.00 175.22 174.14 1rml s LEU 147 N 1.04 5.38 0.20 -0.37 1.98 0.15 -3.41 118.68 123.66 1rml s LEU 147 Ca 0.01 -1.90 -0.30 0.00 -2.89 0.00 0.00 54.13 49.05 1rml s LEU 147 Cb -0.15 -1.92 -0.08 0.00 0.66 0.00 0.00 46.19 44.70 1rml s LEU 147 CO 0.00 -0.60 1.11 -2.16 -1.89 0.00 0.00 176.35 172.81 1rml s PRO 148 N 1.27 4.60 -0.50 0.98 0.04 -1.26 -3.28 135.00 136.84 1rml s PRO 148 Ca 0.06 1.75 0.07 0.00 0.04 0.00 0.00 61.00 62.92 1rml s PRO 148 Cb -0.24 -3.25 0.26 0.00 0.04 0.00 0.00 34.50 31.31 1rml s PRO 148 CO -0.02 0.10 0.65 1.47 0.04 0.00 0.00 177.00 179.24 1rml n LEU 149 N 2.08 1.97 -4.78 -3.56 -0.00 -1.20 -5.02 117.00 106.49 1rml n LEU 149 Ca 0.02 -5.08 -0.29 0.00 -0.00 0.00 0.00 56.01 50.65 1rml n LEU 149 Cb 0.46 0.03 0.17 0.00 -0.00 0.00 0.00 43.42 44.07 1rml n LEU 149 CO 0.54 2.09 0.73 -2.16 -0.00 0.00 0.00 177.39 178.60 1rml s PRO 150 N -1.93 0.52 0.00 1.47 0.04 -1.26 -4.28 135.00 129.57 1rml s PRO 150 Ca 0.38 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.48 1rml s PRO 150 Cb 0.18 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.94 1rml s PRO 150 CO -0.07 -2.57 0.88 1.33 0.04 0.00 0.00 177.00 176.62 1rml n VAL 151 N -3.98 0.00 -1.39 -0.36 0.24 -1.25 -5.02 118.33 106.58 1rml n VAL 151 Ca 0.10 -0.03 -0.54 0.00 -2.04 0.00 0.00 64.34 61.83 1rml n VAL 151 Cb 0.59 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.27 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 0.01 1.65 -2.89 -1.34 2.88 -1.26 -4.81 113.62 107.87 1rml n SER 152 Ca -0.20 0.53 -0.13 0.00 -1.33 0.00 0.00 58.87 57.75 1rml n SER 152 Cb 0.66 -1.13 0.02 0.00 -0.75 0.00 0.00 64.21 63.02 1rml n SER 152 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1rml n SER 153 N 8.84 -1.71 0.00 -3.46 7.64 -1.26 -5.06 113.62 118.61 1rml n SER 153 Ca 0.45 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1rml n SER 153 Cb 0.13 1.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36