#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 2.92 -0.27 1.97 0.04 -1.26 -4.88 135.00 133.51 1rml s PRO 25 Ca 0.00 0.19 -0.28 0.00 0.04 0.00 0.00 61.00 60.95 1rml s PRO 25 Cb 0.00 -4.28 0.18 0.00 0.04 0.00 0.00 34.50 30.44 1rml s PRO 25 CO 0.00 -2.43 1.31 0.21 0.04 0.00 0.00 177.00 176.13 1rml s LYS 26 N 6.37 0.16 -0.28 4.56 2.20 -1.26 -1.50 119.74 129.99 1rml s LYS 26 Ca 0.51 0.08 -0.00 0.00 -0.36 0.00 0.00 55.97 56.20 1rml s LYS 26 Cb -0.10 0.08 0.17 0.00 -1.51 0.00 0.00 37.83 36.46 1rml s LYS 26 CO 0.18 -0.04 0.50 -0.48 -0.36 0.00 0.00 175.35 175.14 1rml s LEU 27 N -0.67 -1.07 0.77 5.43 0.05 -1.25 -4.73 118.68 117.21 1rml s LEU 27 Ca 0.07 0.41 -0.12 0.00 0.05 0.00 0.00 54.13 54.53 1rml s LEU 27 Cb -0.02 1.64 0.06 0.00 -2.05 0.00 0.00 46.19 45.82 1rml s LEU 27 CO -0.09 -0.29 1.14 -0.22 -0.55 0.00 0.00 176.35 176.34 1rml s LEU 28 N 2.70 3.14 0.07 1.48 0.20 -1.26 -3.79 118.68 121.22 1rml s LEU 28 Ca 0.15 2.08 -0.23 0.00 0.69 0.00 0.00 54.13 56.82 1rml s LEU 28 Cb -0.14 -4.55 0.06 0.00 -0.43 0.00 0.00 46.19 41.12 1rml s LEU 28 CO -0.21 -2.25 0.56 -0.47 -0.29 0.00 0.00 176.35 173.69 1rml s TYR 29 N -2.50 -0.47 0.74 5.38 5.04 -1.16 -4.35 117.35 120.02 1rml s TYR 29 Ca 0.67 0.47 -0.12 0.00 -2.44 0.00 0.00 57.07 55.65 1rml s TYR 29 Cb -0.22 0.41 0.04 0.00 0.35 0.00 0.00 41.96 42.54 1rml s TYR 29 CO 0.51 -0.71 1.12 0.00 -1.34 0.00 0.00 175.55 175.13 1rml n SER 31 N -3.11 0.00 -4.61 0.00 2.88 0.28 -4.44 113.62 104.62 1rml n SER 31 Ca 0.07 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 57.12 1rml n SER 31 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 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 1.88 -0.80 -3.46 5.15 -1.26 -3.12 115.26 113.65 1rml n ASN 32 Ca 0.00 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 1rml n ASN 32 Cb 0.00 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 37.98 1rml n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rml n GLY 33 N 2.37 0.00 1.31 8.20 0.00 -1.26 -4.74 105.19 111.06 1rml n GLY 33 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.19 2.35 2.65 -0.02 0.00 -1.18 -5.04 105.19 103.75 1rml n GLY 34 Ca 0.00 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 1rml n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rml n HIS 35 N -1.23 -3.11 -3.93 1.61 8.25 -1.26 -4.59 115.22 110.95 1rml n HIS 35 Ca 0.03 -1.19 -0.31 0.00 -0.26 0.00 0.00 57.72 55.99 1rml n HIS 35 Cb 0.21 -0.50 -0.15 0.00 1.12 0.00 0.00 29.99 30.66 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 -2.06 3.14 0.11 4.41 0.40 0.51 0.15 117.98 124.64 1rml s PHE 36 Ca 0.45 -2.68 -0.13 0.00 -0.60 0.00 0.00 56.93 53.97 1rml s PHE 36 Cb -0.03 -2.58 -0.08 0.00 0.51 0.00 0.00 43.02 40.84 1rml s PHE 36 CO 0.30 -0.91 0.23 1.28 0.70 0.00 0.00 175.22 176.82 1rml n LEU 37 N 4.30 -0.74 -3.89 -0.37 4.77 -1.26 -3.05 117.00 116.76 1rml n LEU 37 Ca 0.03 0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1rml n LEU 37 Cb 0.41 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1rml n LEU 37 CO 0.20 -1.57 -0.15 0.00 -1.33 0.00 0.00 177.39 174.55 1rml s ARG 38 N -0.50 0.72 0.02 3.23 1.70 0.42 -4.56 118.95 119.99 1rml s ARG 38 Ca 0.31 -0.83 -0.03 0.00 -0.47 0.00 0.00 55.73 54.71 1rml s ARG 38 Cb -0.44 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.21 1rml s ARG 38 CO 0.28 -0.20 0.04 -1.50 -1.08 0.00 0.00 175.30 172.84 1rml s ILE 39 N -3.18 0.12 0.01 4.99 2.07 -1.18 -1.04 121.20 122.99 1rml s ILE 39 Ca -0.00 -0.98 0.02 0.00 -1.41 0.00 0.00 60.65 58.28 1rml s ILE 39 Cb 0.02 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 42.00 1rml s ILE 39 CO -0.07 -0.54 -0.02 -0.76 -1.91 0.00 0.00 174.94 171.64 1rml s LEU 40 N -1.74 3.40 0.00 8.50 2.01 -0.18 -4.46 118.68 126.20 1rml s LEU 40 Ca -0.11 -0.07 0.18 0.00 0.01 0.00 0.00 54.13 54.13 1rml s LEU 40 Cb -0.06 -1.97 1.06 0.00 0.01 0.00 0.00 46.19 45.23 1rml s LEU 40 CO -0.02 0.27 1.52 -0.81 1.01 0.00 0.00 176.35 178.32 1rml n PRO 41 N 1.33 0.75 -0.09 1.29 -0.04 -1.26 -3.15 135.00 133.83 1rml n PRO 41 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 1rml n PRO 41 Cb 0.53 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 1rml n PRO 41 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1rml h ASP 42 N 0.00 0.00 0.00 3.54 1.82 -1.97 -3.49 116.42 116.32 1rml h ASP 42 Ca 0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1rml h ASP 42 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1rml h ASP 42 CO 0.00 1.19 0.00 0.61 -1.61 0.00 0.00 179.24 179.43 1rml n GLY 43 N 1.52 0.00 3.27 -0.78 0.00 -1.19 -5.18 105.19 102.84 1rml n GLY 43 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.01 0.14 2.61 2.01 -1.25 -4.90 115.64 114.26 1rml s THR 44 Ca 0.00 -1.86 -0.06 0.00 0.31 0.00 0.00 61.69 60.08 1rml s THR 44 Cb 0.00 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1rml s THR 44 CO 0.00 -0.05 0.19 -0.69 -0.69 0.00 0.00 174.62 173.37 1rml s VAL 45 N -4.12 0.09 -1.43 3.82 1.01 -1.26 -1.01 120.40 117.51 1rml s VAL 45 Ca 0.34 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1rml s VAL 45 Cb 0.05 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1rml s VAL 45 CO 0.10 -0.42 0.00 -0.90 0.00 0.00 0.00 175.10 173.89 1rml n ASP 46 N -0.15 0.00 -4.25 3.32 5.68 -0.21 -4.74 116.55 116.21 1rml n ASP 46 Ca -0.08 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.08 1rml n ASP 46 Cb 0.63 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 1.29 -0.03 6.12 0.00 -1.26 0.16 107.32 113.60 1rml s GLY 47 Ca 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.09 1rml s GLY 47 CO 0.00 -1.53 0.04 -1.59 0.00 0.00 0.00 173.10 170.02 1rml s THR 48 N -3.70 -0.07 0.47 0.90 2.01 -1.17 -4.31 115.64 109.77 1rml s THR 48 Ca 0.26 0.27 0.33 0.00 0.31 0.00 0.00 61.69 62.86 1rml s THR 48 Cb 0.06 -0.10 0.53 0.00 0.01 0.00 0.00 72.50 73.00 1rml s THR 48 CO 0.05 0.11 1.68 -0.09 -0.69 0.00 0.00 174.62 175.69 1rml h ARG 49 N 7.60 0.11 -2.82 4.92 1.12 -1.90 1.49 114.38 124.90 1rml h ARG 49 Ca -0.37 -0.01 -0.30 0.00 -1.11 0.00 0.00 59.98 58.19 1rml h ARG 49 Cb 1.12 -0.02 -0.36 0.00 -0.01 0.00 0.00 29.97 30.70 1rml h ARG 49 CO 0.39 0.07 -0.62 -0.51 -3.11 0.00 0.00 179.97 176.19 1rml s ASP 50 N -4.67 1.03 -0.31 -3.80 1.11 -1.26 -4.36 116.67 104.41 1rml s ASP 50 Ca -0.07 0.09 -0.36 0.00 0.18 0.00 0.00 52.55 52.39 1rml s ASP 50 Cb 0.27 0.36 -0.16 0.00 1.07 0.00 0.00 42.92 44.46 1rml s ASP 50 CO 0.83 -0.28 1.18 -2.11 1.18 0.00 0.00 175.17 175.97 1rml n ARG 51 N 5.32 0.00 0.00 8.23 0.00 -1.25 -4.82 116.66 124.14 1rml n ARG 51 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1rml n ARG 51 Cb 0.50 -1.20 0.00 0.00 -0.00 0.00 0.00 32.46 31.76 1rml n ARG 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1rml n SER 52 N 2.75 0.00 -2.77 2.89 2.88 -1.26 -5.12 113.62 112.98 1rml n SER 52 Ca 0.23 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.63 1rml n SER 52 Cb -0.02 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.00 -0.97 -0.37 -3.46 2.03 -1.26 -5.04 116.55 107.48 1rml n ASP 53 Ca 0.00 -2.70 0.01 0.00 0.52 0.00 0.00 54.79 52.62 1rml n ASP 53 Cb 0.00 1.91 0.16 0.00 -0.72 0.00 0.00 41.12 42.47 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 1.19 -0.35 -0.67 -0.00 -2.02 -3.42 115.11 109.83 1rml h GLN 54 Ca -0.22 -0.07 0.22 0.00 -0.00 0.00 0.00 58.65 58.57 1rml h GLN 54 Cb 1.02 -0.27 -0.20 0.00 -0.00 0.00 0.00 27.48 28.03 1rml h GLN 54 CO 0.31 0.78 0.04 -1.01 -0.00 0.00 0.00 178.83 178.95 1rml s HIS 55 N -6.06 -0.60 -0.33 0.06 3.76 -1.26 -5.02 115.29 105.83 1rml s HIS 55 Ca -0.13 0.51 0.07 0.00 -0.15 0.00 0.00 55.06 55.37 1rml s HIS 55 Cb 0.20 0.16 0.52 0.00 1.11 0.00 0.00 32.58 34.57 1rml s HIS 55 CO 0.81 -0.34 1.53 0.44 -0.85 0.00 0.00 174.74 176.34 1rml n ILE 56 N 5.34 2.69 -2.67 0.60 -0.00 -1.26 -3.09 119.36 120.97 1rml n ILE 56 Ca -0.00 -2.77 -0.43 0.00 -0.00 0.00 0.00 62.75 59.55 1rml n ILE 56 Cb 0.55 -0.42 -0.02 0.00 -0.00 0.00 0.00 39.64 39.74 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 -3.31 4.36 -0.14 6.28 -0.21 -1.26 -4.25 119.66 121.13 1rml s GLN 57 Ca 0.47 1.39 -0.01 0.00 0.02 0.00 0.00 55.36 57.24 1rml s GLN 57 Cb 0.42 -3.58 0.04 0.00 1.00 0.00 0.00 33.01 30.89 1rml s GLN 57 CO 0.01 -0.43 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.20 1rml s LEU 58 N 2.45 1.34 -0.10 2.90 1.02 -1.26 -4.16 118.68 120.87 1rml s LEU 58 Ca 0.47 -0.52 -0.01 0.00 0.02 0.00 0.00 54.13 54.09 1rml s LEU 58 Cb -0.17 -0.80 -0.03 0.00 0.02 0.00 0.00 46.19 45.21 1rml s LEU 58 CO 0.14 -0.18 -0.05 -1.58 0.02 0.00 0.00 176.35 174.70 1rml s GLN 59 N 1.72 3.09 0.35 1.70 2.00 -1.21 -4.37 119.66 122.93 1rml s GLN 59 Ca 0.02 -0.52 0.03 0.00 -2.00 0.00 0.00 55.36 52.89 1rml s GLN 59 Cb -0.14 -2.73 -0.02 0.00 0.80 0.00 0.00 33.01 30.92 1rml s GLN 59 CO -0.07 0.53 0.53 -0.51 -0.50 0.00 0.00 175.29 175.27 1rml s LEU 60 N -0.44 3.96 -0.33 3.68 1.43 -1.26 0.15 118.68 125.87 1rml s LEU 60 Ca 0.07 0.19 0.17 0.00 -1.03 0.00 0.00 54.13 53.53 1rml s LEU 60 Cb -0.12 -3.06 0.45 0.00 0.03 0.00 0.00 46.19 43.49 1rml s LEU 60 CO 0.02 -0.39 1.01 -0.24 0.23 0.00 0.00 176.35 176.98 1rml n SER 61 N -1.76 0.92 -4.54 2.29 2.88 0.53 -4.76 113.62 109.18 1rml n SER 61 Ca -0.03 -2.68 -0.60 0.00 -1.33 0.00 0.00 58.87 54.23 1rml n SER 61 Cb 0.57 -0.29 -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 -0.13 -3.25 0.03 -1.46 0.00 -1.25 -2.69 120.51 111.75 1rml n ALA 62 Ca 0.07 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1rml n ALA 62 Cb 0.82 -1.79 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 1.87 0.84 0.00 0.00 0.28 -1.10 -4.81 120.64 117.72 1rml n GLU 63 Ca 0.21 -0.42 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1rml n GLU 63 Cb 0.07 -0.90 0.00 0.00 1.43 0.00 0.00 31.44 32.03 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 -0.20 0.00 -4.49 -1.84 7.64 -0.41 -5.00 113.62 109.31 1rml n SER 64 Ca 0.00 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.41 1rml n SER 64 Cb 0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 1rml n SER 64 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1rml n VAL 65 N -0.56 1.71 -0.63 0.44 0.24 -1.26 0.97 118.33 119.23 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 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 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 1.71 1.65 3.03 7.63 0.00 -1.14 -4.89 105.19 113.18 1rml n GLY 66 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.02 0.48 0.26 1.61 2.12 0.27 -3.85 118.70 119.57 1rml s GLU 67 Ca 0.00 0.45 0.06 0.00 0.36 0.00 0.00 54.97 55.83 1rml s GLU 67 Cb 0.00 -0.01 -0.06 0.00 0.26 0.00 0.00 34.13 34.32 1rml s GLU 67 CO 0.00 -0.94 -0.05 0.14 -0.54 0.00 0.00 175.26 173.88 1rml s VAL 68 N 2.69 1.49 0.40 3.70 -7.23 0.84 -1.29 120.40 120.99 1rml s VAL 68 Ca 0.12 -2.10 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1rml s VAL 68 Cb -0.12 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.36 1rml s VAL 68 CO -0.26 -0.33 0.06 -0.31 -0.31 0.00 0.00 175.10 173.96 1rml s TYR 69 N -3.12 2.55 -0.10 2.82 2.02 -1.09 0.20 117.35 120.62 1rml s TYR 69 Ca 0.29 -0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 56.31 1rml s TYR 69 Cb 0.04 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.84 1rml s TYR 69 CO 0.11 0.37 0.24 0.42 -1.57 0.00 0.00 175.55 175.11 1rml s ILE 70 N -2.65 -0.03 -0.32 2.71 1.01 -1.26 0.20 121.20 120.86 1rml s ILE 70 Ca 0.37 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.10 1rml s ILE 70 Cb 0.07 -0.36 0.12 0.00 0.01 0.00 0.00 42.46 42.30 1rml s ILE 70 CO 0.20 0.04 0.18 -0.75 0.00 0.00 0.00 174.94 174.60 1rml s LYS 71 N 0.84 0.40 -0.88 2.79 2.36 0.40 -2.51 119.74 123.14 1rml s LYS 71 Ca -0.06 -0.99 -0.23 0.00 -2.55 0.00 0.00 55.97 52.14 1rml s LYS 71 Cb -0.07 -1.25 -0.19 0.00 -1.05 0.00 0.00 37.83 35.27 1rml s LYS 71 CO -0.05 -1.13 2.16 0.45 1.55 0.00 0.00 175.35 178.33 1rml n SER 72 N 4.56 1.10 -4.56 1.43 2.88 0.50 -3.36 113.62 116.17 1rml n SER 72 Ca 0.04 -1.88 -0.40 0.00 -1.33 0.00 0.00 58.87 55.31 1rml n SER 72 Cb 0.39 -1.55 -0.03 0.00 -0.75 0.00 0.00 64.21 62.27 1rml n SER 72 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1rml s THR 73 N 14.07 3.39 0.00 2.46 -1.32 -1.26 -3.06 115.64 129.91 1rml s THR 73 Ca 0.84 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.61 1rml s THR 73 Cb -0.13 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 1rml s THR 73 CO 0.16 -0.72 0.00 -0.62 -2.21 0.00 0.00 174.62 171.23 1rml n GLU 74 N 8.94 0.00 0.00 7.08 -0.58 -1.26 -4.83 120.64 129.99 1rml n GLU 74 Ca 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1rml n GLU 74 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 1rml n GLU 74 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1rml n THR 75 N 0.00 0.20 -2.53 2.62 5.66 -1.19 -5.06 114.28 113.98 1rml n THR 75 Ca 0.00 -0.37 -0.04 0.00 -3.05 0.00 0.00 64.05 60.59 1rml n THR 75 Cb 0.00 1.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 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 -0.10 -1.08 3.21 1.09 0.00 -1.17 -4.95 105.19 102.19 1rml n GLY 76 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.47 0.49 -0.39 1.61 1.11 -1.21 -5.01 119.66 113.78 1rml s GLN 77 Ca 0.11 0.15 -0.04 0.00 0.01 0.00 0.00 55.36 55.59 1rml s GLN 77 Cb -0.03 0.22 0.09 0.00 -1.01 0.00 0.00 33.01 32.29 1rml s GLN 77 CO 0.55 -0.10 0.18 0.71 0.01 0.00 0.00 175.29 176.63 1rml s TYR 78 N -0.50 3.48 0.21 0.91 2.02 -1.26 0.19 117.35 122.40 1rml s TYR 78 Ca -0.06 -2.16 -0.29 0.00 -0.37 0.00 0.00 57.07 54.19 1rml s TYR 78 Cb -0.04 -2.97 -0.16 0.00 -0.40 0.00 0.00 41.96 38.39 1rml s TYR 78 CO 0.02 -0.92 0.70 -0.11 -1.57 0.00 0.00 175.55 173.67 1rml n LEU 79 N 4.66 -0.31 0.00 -1.29 7.94 -1.05 -1.76 117.00 125.20 1rml n LEU 79 Ca -0.06 1.14 -0.04 0.00 -1.11 0.00 0.00 56.01 55.94 1rml n LEU 79 Cb 0.42 -1.04 0.02 0.00 0.53 0.00 0.00 43.42 43.34 1rml n LEU 79 CO 0.33 -2.46 0.32 0.00 -1.11 0.00 0.00 177.39 174.47 1rml n ALA 80 N 0.22 -1.08 -3.41 1.96 0.00 0.49 -4.49 120.51 114.21 1rml n ALA 80 Ca 0.16 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 1rml n ALA 80 Cb 0.26 0.53 -0.06 0.00 0.00 0.00 0.00 19.45 20.17 1rml n ALA 80 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rml s MET 81 N -2.05 0.41 1.02 0.00 -1.94 -1.24 -0.93 119.30 114.58 1rml s MET 81 Ca 0.09 0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 54.76 1rml s MET 81 Cb -0.03 0.08 0.22 0.00 2.01 0.00 0.00 34.83 37.11 1rml s MET 81 CO 0.06 -0.50 1.25 -0.51 -0.01 0.00 0.00 175.02 175.30 1rml s ASP 82 N 2.67 2.54 0.33 3.03 1.01 -1.25 -4.73 116.67 120.26 1rml s ASP 82 Ca 0.09 0.43 0.22 0.00 0.71 0.00 0.00 52.55 54.00 1rml s ASP 82 Cb -0.14 -0.58 1.18 0.00 1.01 0.00 0.00 42.92 44.39 1rml s ASP 82 CO -0.17 -3.11 1.66 0.35 0.21 0.00 0.00 175.17 174.12 1rml n THR 83 N -4.05 0.98 1.40 -1.27 -2.24 -1.26 0.43 114.28 108.27 1rml n THR 83 Ca 0.14 0.75 0.05 0.00 -2.27 0.00 0.00 64.05 62.72 1rml n THR 83 Cb 0.59 -1.75 0.18 0.00 -2.10 0.00 0.00 70.33 67.25 1rml n THR 83 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rml n ASP 84 N -2.27 1.06 -2.11 3.42 2.03 -1.26 -4.86 116.55 112.57 1rml n ASP 84 Ca -0.01 -1.90 -0.09 0.00 0.52 0.00 0.00 54.79 53.31 1rml n ASP 84 Cb 0.05 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.86 -0.12 3.33 0.27 0.00 0.17 -3.49 105.19 106.21 1rml n GLY 85 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.76 5.02 -0.06 0.99 0.20 -1.26 -1.05 118.68 117.77 1rml s LEU 86 Ca 0.00 -1.27 -0.40 0.00 0.69 0.00 0.00 54.13 53.14 1rml s LEU 86 Cb 0.00 -2.02 -0.20 0.00 -0.43 0.00 0.00 46.19 43.54 1rml s LEU 86 CO 0.00 -0.49 1.18 0.18 -0.29 0.00 0.00 176.35 176.93 1rml n LEU 87 N 4.98 0.37 -3.95 -0.68 4.32 -1.26 -3.91 117.00 116.87 1rml n LEU 87 Ca -0.11 1.16 -0.09 0.00 -0.02 0.00 0.00 56.01 56.94 1rml n LEU 87 Cb 0.44 -0.95 -0.03 0.00 -1.62 0.00 0.00 43.42 41.26 1rml n LEU 87 CO 0.39 -1.65 0.30 -0.72 -1.22 0.00 0.00 177.39 174.48 1rml s TYR 88 N 0.48 0.31 0.20 -1.77 1.13 -0.11 -4.21 117.35 113.39 1rml s TYR 88 Ca 0.92 -0.73 0.03 0.00 -1.41 0.00 0.00 57.07 55.89 1rml s TYR 88 Cb -1.26 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 39.94 1rml s TYR 88 CO 0.59 -1.17 0.34 0.20 -2.51 0.00 0.00 175.55 173.00 1rml s GLY 89 N -3.04 1.49 -0.15 5.49 0.00 -1.26 0.19 107.32 110.03 1rml s GLY 89 Ca 0.20 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 1rml s GLY 89 CO 0.11 -1.09 0.26 -0.45 0.00 0.00 0.00 173.10 171.92 1rml s SER 90 N -3.59 0.60 0.00 1.64 0.15 -0.72 -4.88 113.70 106.90 1rml s SER 90 Ca 0.35 0.36 0.14 0.00 0.70 0.00 0.00 55.95 57.50 1rml s SER 90 Cb -0.10 0.65 0.69 0.00 -1.71 0.00 0.00 66.02 65.55 1rml s SER 90 CO 0.29 -0.27 1.37 1.67 1.20 0.00 0.00 173.24 177.50 1rml n GLN 91 N 5.34 0.19 -3.83 5.44 7.27 -1.26 -4.25 117.38 126.28 1rml n GLN 91 Ca -0.06 0.16 -0.35 0.00 0.07 0.00 0.00 57.00 56.82 1rml n GLN 91 Cb 0.50 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.52 1rml n GLN 91 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1rml s THR 92 N -2.58 3.06 -0.63 1.69 -4.23 -1.26 -5.05 115.64 106.63 1rml s THR 92 Ca 0.13 -2.17 -0.27 0.00 -1.18 0.00 0.00 61.69 58.20 1rml s THR 92 Cb 0.09 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1rml s THR 92 CO 0.21 -0.68 1.54 -2.16 -0.54 0.00 0.00 174.62 172.99 1rml s PRO 93 N 1.03 3.03 0.00 3.99 0.04 -1.26 -4.53 135.00 137.30 1rml s PRO 93 Ca 0.09 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1rml s PRO 93 Cb -0.22 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1rml s PRO 93 CO -0.05 -2.29 0.00 0.09 0.04 0.00 0.00 177.00 174.79 1rml n ASN 94 N 10.65 0.00 -3.52 6.66 3.02 -1.26 -4.98 115.26 125.83 1rml n ASN 94 Ca 0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.26 1rml n ASN 94 Cb 0.50 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.90 0.01 3.52 1.02 -1.26 -2.40 120.64 122.43 1rml n GLU 95 Ca 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1rml n GLU 95 Cb 0.00 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 28.73 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 7.14 0.00 0.11 3.49 2.13 -1.26 -4.68 120.64 127.56 1rml n GLU 96 Ca 0.46 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.27 1rml n GLU 96 Cb 0.38 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.35 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 -4.07 0.00 -3.63 0.00 4.77 -1.13 -4.29 117.00 108.64 1rml n LEU 98 Ca -0.01 -0.61 -0.02 0.00 -0.03 0.00 0.00 56.01 55.33 1rml n LEU 98 Cb 0.44 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1rml n LEU 98 CO 0.41 -2.56 0.31 -0.36 -1.33 0.00 0.00 177.39 173.86 1rml s PHE 99 N -1.98 -1.22 -0.39 -1.77 0.08 0.52 -4.37 117.98 108.85 1rml s PHE 99 Ca 0.47 2.19 -0.27 0.00 0.12 0.00 0.00 56.93 59.44 1rml s PHE 99 Cb -0.08 0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 43.05 1rml s PHE 99 CO 0.39 -0.61 2.18 -0.51 -0.10 0.00 0.00 175.22 176.58 1rml s LEU 100 N 2.51 3.41 0.54 -0.37 1.43 -0.47 -0.12 118.68 125.62 1rml s LEU 100 Ca -0.07 1.28 -0.08 0.00 -1.03 0.00 0.00 54.13 54.23 1rml s LEU 100 Cb -0.10 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1rml s LEU 100 CO -0.19 -2.34 0.89 -0.70 0.23 0.00 0.00 176.35 174.23 1rml s GLU 101 N 7.09 3.56 -0.38 1.70 2.12 -1.25 -1.51 118.70 130.03 1rml s GLU 101 Ca 0.92 0.42 -0.04 0.00 0.36 0.00 0.00 54.97 56.63 1rml s GLU 101 Cb -0.22 -2.25 0.21 0.00 0.26 0.00 0.00 34.13 32.12 1rml s GLU 101 CO 0.29 -0.36 1.04 2.89 -0.54 0.00 0.00 175.26 178.58 1rml n ARG 102 N -2.46 0.19 -0.64 4.30 1.85 -1.25 -2.91 116.66 115.74 1rml n ARG 102 Ca 0.03 -1.03 -0.15 0.00 -1.00 0.00 0.00 57.85 55.70 1rml n ARG 102 Cb 0.55 -0.20 -0.08 0.00 -1.05 0.00 0.00 32.46 31.68 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 2.60 -0.14 -0.20 2.89 0.00 -1.26 -4.40 117.00 116.49 1rml n LEU 103 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 56.01 56.03 1rml n LEU 103 Cb 0.63 -0.34 0.03 0.00 0.00 0.00 0.00 43.42 43.75 1rml n LEU 103 CO -0.09 -0.42 1.05 -0.08 0.00 0.00 0.00 177.39 177.86 1rml h GLU 104 N 4.99 0.78 0.00 1.96 4.22 -1.86 -3.45 114.58 121.22 1rml h GLU 104 Ca -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1rml h GLU 104 Cb 0.53 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1rml h GLU 104 CO 0.63 0.59 0.00 -1.91 -2.18 0.00 0.00 179.01 176.14 1rml n GLU 105 N -4.61 0.00 -2.35 1.92 4.07 -1.26 -5.04 120.64 113.36 1rml n GLU 105 Ca 0.03 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.14 1rml n GLU 105 Cb 0.08 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.50 1rml n GLU 105 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1rml n ASN 106 N 0.00 0.93 0.02 4.31 5.15 -1.26 -4.95 115.26 119.46 1rml n ASN 106 Ca 0.00 -2.04 0.00 0.00 -0.60 0.00 0.00 54.58 51.94 1rml n ASN 106 Cb 0.00 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1rml n ASN 106 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1rml n HIS 107 N -0.37 -1.40 -1.65 1.20 8.25 -1.26 -5.13 115.22 114.87 1rml n HIS 107 Ca 0.02 0.12 -0.46 0.00 -0.26 0.00 0.00 57.72 57.14 1rml n HIS 107 Cb 0.90 0.51 -0.03 0.00 1.12 0.00 0.00 29.99 32.49 1rml n HIS 107 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rml n TYR 108 N -2.21 2.00 -3.52 4.41 4.01 -1.26 -4.87 117.16 115.71 1rml n TYR 108 Ca 0.00 0.46 -0.37 0.00 -0.16 0.00 0.00 57.90 57.83 1rml n TYR 108 Cb 0.00 -2.44 -0.05 0.00 -0.31 0.00 0.00 39.34 36.54 1rml n TYR 108 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rml n ASN 109 N 2.35 4.56 -4.56 7.72 5.03 -0.96 -3.07 115.26 126.33 1rml n ASN 109 Ca 0.13 -3.17 -0.30 0.00 0.87 0.00 0.00 54.58 52.11 1rml n ASN 109 Cb 0.29 -1.08 -0.04 0.00 -1.02 0.00 0.00 39.78 37.92 1rml n ASN 109 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1rml s THR 110 N -1.60 3.36 0.63 3.41 -4.23 -1.24 -4.51 115.64 111.45 1rml s THR 110 Ca 0.29 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.57 1rml s THR 110 Cb -0.04 -3.85 0.14 0.00 1.34 0.00 0.00 72.50 70.09 1rml s THR 110 CO -0.09 -0.80 0.86 -1.22 -0.54 0.00 0.00 174.62 172.83 1rml n TYR 111 N 14.12 -3.91 -3.64 3.99 4.01 -1.26 -3.75 117.16 126.72 1rml n TYR 111 Ca 0.34 -0.82 -0.06 0.00 -0.16 0.00 0.00 57.90 57.20 1rml n TYR 111 Cb 0.49 -0.66 -0.07 0.00 -0.31 0.00 0.00 39.34 38.78 1rml n TYR 111 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1rml s ILE 112 N -2.83 0.00 -0.78 -0.72 1.01 -0.57 -3.77 121.20 113.53 1rml s ILE 112 Ca 0.49 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.89 1rml s ILE 112 Cb -0.01 -1.00 -0.17 0.00 0.01 0.00 0.00 42.46 41.28 1rml s ILE 112 CO 0.35 0.00 2.13 -0.24 0.00 0.00 0.00 174.94 177.17 1rml n SER 113 N 3.98 0.25 0.23 3.58 2.88 0.12 -1.37 113.62 123.28 1rml n SER 113 Ca -0.19 0.16 0.08 0.00 -1.33 0.00 0.00 58.87 57.59 1rml n SER 113 Cb 0.58 -0.73 0.54 0.00 -0.75 0.00 0.00 64.21 63.85 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 9.43 0.00 0.00 -1.46 3.11 -1.85 0.74 116.57 126.54 1rml h LYS 114 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1rml h LYS 114 Cb 1.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 1rml h LYS 114 CO 1.09 0.23 0.00 -0.22 -2.81 0.00 0.00 179.45 177.75 1rml h LYS 115 N 0.00 0.00 -0.00 1.90 3.64 -1.83 -3.35 116.57 116.93 1rml h LYS 115 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1rml h LYS 115 Cb 0.53 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.21 1rml h LYS 115 CO 0.03 0.00 -0.09 -2.39 -2.27 0.00 0.00 179.45 174.73 1rml n HIS 116 N -2.41 -0.84 1.18 1.91 1.44 -0.34 -4.98 115.22 111.18 1rml n HIS 116 Ca 0.00 -0.81 0.14 0.00 -2.01 0.00 0.00 57.72 55.04 1rml n HIS 116 Cb 0.15 1.14 0.67 0.00 0.12 0.00 0.00 29.99 32.07 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 1.55 2.38 0.31 1.59 0.00 0.24 -3.19 120.51 123.39 1rml n ALA 117 Ca 0.02 -0.12 0.19 0.00 0.00 0.00 0.00 53.44 53.53 1rml n ALA 117 Cb 0.70 -1.47 1.03 0.00 0.00 0.00 0.00 19.45 19.70 1rml n ALA 117 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rml h GLU 118 N 0.00 0.00 -0.10 0.00 4.81 -1.93 0.40 114.58 117.76 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 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 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 -3.43 2.37 -2.25 1.92 5.02 -1.19 -4.93 118.16 115.66 1rml n LYS 119 Ca -0.03 -2.00 -0.21 0.00 -2.02 0.00 0.00 58.31 54.05 1rml n LYS 119 Cb 0.11 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.38 -5.83 -4.58 4.39 5.03 0.14 -4.80 115.26 111.00 1rml n ASN 120 Ca 0.15 0.08 -0.19 0.00 0.87 0.00 0.00 54.58 55.49 1rml n ASN 120 Cb 0.60 -4.89 -0.10 0.00 -1.02 0.00 0.00 39.78 34.37 1rml n ASN 120 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1rml s TRP 121 N -2.99 1.44 1.37 3.10 0.51 -1.26 -4.60 118.94 116.51 1rml s TRP 121 Ca 0.00 1.75 -0.21 0.00 -2.12 0.00 0.00 56.10 55.52 1rml s TRP 121 Cb 0.00 -3.53 0.35 0.00 -0.81 0.00 0.00 33.47 29.48 1rml s TRP 121 CO 0.00 -0.86 0.96 -0.06 -0.51 0.00 0.00 176.95 176.47 1rml s PHE 122 N 15.14 -0.27 -0.18 -1.98 0.08 -0.89 0.13 117.98 130.01 1rml s PHE 122 Ca 0.78 0.65 0.17 0.00 0.12 0.00 0.00 56.93 58.64 1rml s PHE 122 Cb -0.04 -2.97 0.46 0.00 -0.57 0.00 0.00 43.02 39.90 1rml s PHE 122 CO 0.16 -4.76 1.35 1.55 -0.10 0.00 0.00 175.22 173.42 1rml n VAL 123 N -5.48 2.20 -3.08 -0.44 3.14 -1.25 -4.56 118.33 108.87 1rml n VAL 123 Ca 0.11 -2.08 -0.44 0.00 -2.96 0.00 0.00 64.34 58.98 1rml n VAL 123 Cb 0.59 -0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 33.06 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 -2.26 1.68 -0.08 7.55 0.00 -1.26 -4.66 107.32 108.30 1rml s GLY 124 Ca 0.40 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 1rml s GLY 124 CO 0.06 1.62 2.07 1.04 0.00 0.00 0.00 173.10 177.89 1rml n LEU 125 N 6.51 3.73 -0.52 0.66 4.32 -1.26 -4.48 117.00 125.96 1rml n LEU 125 Ca -0.05 0.63 -0.07 0.00 -0.02 0.00 0.00 56.01 56.50 1rml n LEU 125 Cb 0.46 -1.52 -0.01 0.00 -1.62 0.00 0.00 43.42 40.72 1rml n LEU 125 CO 0.57 -0.17 0.16 1.17 -1.22 0.00 0.00 177.39 177.90 1rml n LYS 126 N 7.95 0.00 -0.23 3.23 4.81 -1.25 -4.40 118.16 128.27 1rml n LYS 126 Ca 0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.58 1rml n LYS 126 Cb 0.41 -0.17 -0.02 0.00 0.02 0.00 0.00 35.03 35.27 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 0.65 0.44 0.00 1.64 -0.00 -1.26 -2.64 118.16 116.98 1rml n LYS 127 Ca 0.05 -0.78 0.00 0.00 -0.00 0.00 0.00 58.31 57.58 1rml n LYS 127 Cb -0.01 -2.17 0.00 0.00 -0.00 0.00 0.00 35.03 32.86 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 5.35 0.73 0.00 -5.58 2.85 -1.26 -5.07 115.26 112.28 1rml n ASN 128 Ca 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1rml n ASN 128 Cb 0.08 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.10 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 1.95 0.37 0.00 8.20 0.00 -1.08 -4.95 105.19 109.67 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 -4.08 1.61 7.64 -1.26 -4.98 113.62 112.55 1rml n SER 130 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1rml n SER 130 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.93 0.66 0.61 0.00 2.47 -1.26 -4.69 119.74 114.60 1rml s LYS 132 Ca 0.45 -0.08 -0.16 0.00 -1.56 0.00 0.00 55.97 54.61 1rml s LYS 132 Cb -0.03 0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 36.61 1rml s LYS 132 CO 0.60 -0.18 1.10 0.50 0.16 0.00 0.00 175.35 177.53 1rml s ARG 133 N -1.14 3.08 0.16 4.03 6.06 -1.26 -4.68 118.95 125.20 1rml s ARG 133 Ca -0.12 1.41 -0.19 0.00 -2.50 0.00 0.00 55.73 54.33 1rml s ARG 133 Cb -0.05 -1.99 0.08 0.00 0.06 0.00 0.00 34.95 33.06 1rml s ARG 133 CO 0.04 -1.03 1.27 0.41 -2.50 0.00 0.00 175.30 173.49 1rml n GLY 134 N -0.42 -1.89 2.30 8.12 0.00 -0.22 -0.36 105.19 112.73 1rml n GLY 134 Ca 0.10 0.95 -0.19 0.00 0.00 0.00 0.00 46.02 46.88 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 -5.13 2.12 0.00 1.61 -0.04 -1.26 -2.76 135.00 129.54 1rml n PRO 135 Ca 0.05 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1rml n PRO 135 Cb 0.28 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.26 0.00 -3.15 0.54 5.12 0.52 -5.10 116.66 117.84 1rml n ARG 136 Ca 0.45 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.40 1rml n ARG 136 Cb 0.44 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.73 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 -0.89 0.00 0.55 -1.32 -1.11 -4.54 115.64 108.33 1rml s THR 137 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1rml s THR 137 Cb 0.00 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.66 1rml s THR 137 CO 0.00 0.00 0.00 1.41 -2.21 0.00 0.00 174.62 173.82 1rml n HIS 138 N 4.71 0.00 0.00 9.09 8.25 -1.26 -2.10 115.22 133.91 1rml n HIS 138 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1rml n HIS 138 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 0.00 -0.55 -1.49 4.41 9.36 -1.26 -3.92 117.16 123.71 1rml n TYR 139 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 1rml n TYR 139 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 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 0.45 2.65 2.98 0.00 -1.26 -4.84 105.19 105.17 1rml n GLY 140 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.16 0.21 0.63 1.61 -0.21 -1.25 -4.98 119.66 112.51 1rml s GLN 141 Ca 0.00 -0.22 0.16 0.00 0.02 0.00 0.00 55.36 55.32 1rml s GLN 141 Cb 0.00 -1.10 0.65 0.00 1.00 0.00 0.00 33.01 33.56 1rml s GLN 141 CO 0.00 -0.91 1.28 0.87 -2.12 0.00 0.00 175.29 174.41 1rml h LYS 142 N 8.35 0.00 -0.84 2.91 6.56 -1.88 0.42 116.57 132.08 1rml h LYS 142 Ca -0.17 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.63 1rml h LYS 142 Cb 1.07 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 32.59 1rml h LYS 142 CO 0.36 0.00 0.08 0.00 -2.06 0.00 0.00 179.45 177.83 1rml h ALA 143 N 0.46 1.01 -0.30 3.86 0.00 -1.86 1.58 119.26 124.01 1rml h ALA 143 Ca 0.22 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 1rml h ALA 143 Cb 2.20 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 20.40 1rml h ALA 143 CO -0.00 -0.46 -0.14 -0.84 0.00 0.00 0.00 179.25 177.81 1rml h ILE 144 N 0.12 1.24 -2.85 0.00 3.07 -0.38 -3.35 117.51 115.35 1rml h ILE 144 Ca 0.49 -1.06 -0.55 0.00 1.55 0.00 0.00 64.86 65.30 1rml h ILE 144 Cb 0.94 1.16 -0.07 0.00 -0.27 0.00 0.00 36.82 38.58 1rml h ILE 144 CO -0.72 0.35 1.06 -0.76 -1.05 0.00 0.00 178.15 177.03 1rml s LEU 145 N -8.85 3.38 -0.17 0.16 1.02 0.54 -3.64 118.68 111.11 1rml s LEU 145 Ca -0.07 0.11 -0.02 0.00 0.02 0.00 0.00 54.13 54.17 1rml s LEU 145 Cb 0.14 -3.00 -0.01 0.00 0.02 0.00 0.00 46.19 43.34 1rml s LEU 145 CO 0.78 -1.67 -0.08 -0.36 0.02 0.00 0.00 176.35 175.04 1rml s PHE 146 N 5.73 2.91 -0.47 0.29 0.08 -1.26 0.10 117.98 125.37 1rml s PHE 146 Ca 0.47 -0.73 -0.06 0.00 0.12 0.00 0.00 56.93 56.73 1rml s PHE 146 Cb -0.09 -1.97 0.12 0.00 -0.57 0.00 0.00 43.02 40.50 1rml s PHE 146 CO 0.23 -0.33 0.30 -1.17 -0.10 0.00 0.00 175.22 174.15 1rml s LEU 147 N 0.84 5.47 0.13 -0.37 1.98 0.60 -2.26 118.68 125.08 1rml s LEU 147 Ca -0.02 -2.09 -0.30 0.00 -2.89 0.00 0.00 54.13 48.82 1rml s LEU 147 Cb -0.15 -1.91 -0.07 0.00 0.66 0.00 0.00 46.19 44.72 1rml s LEU 147 CO 0.01 -0.59 1.14 -2.16 -1.89 0.00 0.00 176.35 172.86 1rml s PRO 148 N 1.07 4.53 -0.61 0.98 0.04 -1.26 -3.00 135.00 136.75 1rml s PRO 148 Ca 0.08 1.73 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1rml s PRO 148 Cb -0.24 -3.31 0.22 0.00 0.04 0.00 0.00 34.50 31.22 1rml s PRO 148 CO -0.03 -0.06 0.62 1.47 0.04 0.00 0.00 177.00 179.05 1rml n LEU 149 N 2.96 2.83 -4.78 -3.56 -0.00 -1.25 -5.01 117.00 108.20 1rml n LEU 149 Ca 0.05 -5.21 -0.29 0.00 -0.00 0.00 0.00 56.01 50.55 1rml n LEU 149 Cb 0.46 -0.45 0.18 0.00 -0.00 0.00 0.00 43.42 43.61 1rml n LEU 149 CO 0.54 1.96 0.74 -2.16 -0.00 0.00 0.00 177.39 178.47 1rml s PRO 150 N -1.86 0.32 -0.25 1.47 0.04 -1.26 -3.77 135.00 129.69 1rml s PRO 150 Ca 0.34 -0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.39 1rml s PRO 150 Cb 0.09 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 32.97 1rml s PRO 150 CO -0.08 -2.69 1.00 1.33 0.04 0.00 0.00 177.00 176.60 1rml n VAL 151 N -4.05 0.00 -1.55 -0.36 0.24 -0.56 -4.93 118.33 107.12 1rml n VAL 151 Ca 0.11 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 1rml n VAL 151 Cb 0.59 0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.50 1.38 -3.81 -1.34 2.88 -1.25 -4.67 113.62 106.32 1rml n SER 152 Ca -0.18 -1.99 -0.34 0.00 -1.33 0.00 0.00 58.87 55.03 1rml n SER 152 Cb 0.65 -1.65 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 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 18.82 4.46 0.00 -3.46 2.88 -1.26 -5.09 113.62 129.96 1rml n SER 153 Ca 0.43 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1rml n SER 153 Cb 0.45 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14