#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mac s SER 2 N 0.00 7.00 -0.12 1.61 1.04 -1.26 -4.75 113.70 117.22 1mac s SER 2 Ca 0.00 1.39 -0.00 0.00 0.48 0.00 0.00 55.95 57.82 1mac s SER 2 Cb 0.00 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 1mac s SER 2 CO 0.00 -0.02 -0.12 -0.69 0.98 0.00 0.00 173.24 173.39 1mac s VAL 3 N -1.62 3.15 -0.33 5.02 1.01 -1.26 -0.10 120.40 126.27 1mac s VAL 3 Ca 0.45 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 1mac s VAL 3 Cb -0.15 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1mac s VAL 3 CO 0.20 0.53 0.16 0.12 0.00 0.00 0.00 175.10 176.12 1mac s PHE 4 N 0.23 3.20 -0.17 5.22 5.36 0.31 -4.98 117.98 127.15 1mac s PHE 4 Ca -0.08 -0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 55.14 1mac s PHE 4 Cb -0.15 -2.37 -0.01 0.00 -0.34 0.00 0.00 43.02 40.14 1mac s PHE 4 CO 0.05 -0.53 -0.08 -0.46 -1.46 0.00 0.00 175.22 172.75 1mac s TRP 5 N 1.59 2.91 -0.24 10.12 -0.11 -1.26 -1.54 118.94 130.40 1mac s TRP 5 Ca 0.04 -0.74 -0.01 0.00 1.22 0.00 0.00 56.10 56.61 1mac s TRP 5 Cb -0.18 -1.98 0.07 0.00 -1.50 0.00 0.00 33.47 29.89 1mac s TRP 5 CO 0.06 -0.34 0.01 -2.00 -4.62 0.00 0.00 176.95 170.07 1mac s GLU 6 N 0.86 1.09 0.00 5.86 2.56 -0.15 -5.00 118.70 123.91 1mac s GLU 6 Ca -0.02 -0.86 0.30 0.00 0.00 0.00 0.00 54.97 54.38 1mac s GLU 6 Cb -0.15 -2.33 1.40 0.00 2.00 0.00 0.00 34.13 35.05 1mac s GLU 6 CO 0.01 -0.72 2.00 -0.35 -0.56 0.00 0.00 175.26 175.64 1mac n PRO 7 N 4.82 0.29 -3.56 4.30 -0.04 -1.26 -1.08 135.00 138.47 1mac n PRO 7 Ca -0.08 -0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.11 1mac n PRO 7 Cb 0.44 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1mac n PRO 7 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mac n LEU 8 N -1.35 -2.43 -0.43 1.53 4.77 -1.26 -4.59 117.00 113.25 1mac n LEU 8 Ca 0.12 -0.55 0.08 0.00 -0.03 0.00 0.00 56.01 55.63 1mac n LEU 8 Cb 0.28 -2.60 0.01 0.00 -2.33 0.00 0.00 43.42 38.78 1mac n LEU 8 CO 0.25 0.37 0.30 -1.54 -1.33 0.00 0.00 177.39 175.44 1mac n SER 9 N -2.66 1.79 -3.45 -1.43 3.41 -1.26 -3.31 113.62 106.71 1mac n SER 9 Ca -0.01 -1.39 -0.13 0.00 -0.26 0.00 0.00 58.87 57.08 1mac n SER 9 Cb 0.55 0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 1mac n SER 9 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1mac s TYR 10 N -1.89 -0.54 -0.06 7.33 1.13 -1.26 -4.83 117.35 117.22 1mac s TYR 10 Ca 0.15 0.45 -0.30 0.00 -1.41 0.00 0.00 57.07 55.96 1mac s TYR 10 Cb 0.14 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.51 1mac s TYR 10 CO 0.39 -0.78 1.06 0.12 -2.51 0.00 0.00 175.55 173.84 1mac s PHE 11 N -3.24 3.46 -0.36 -3.49 5.36 -1.26 -5.01 117.98 113.44 1mac s PHE 11 Ca -0.01 1.51 0.04 0.00 -0.96 0.00 0.00 56.93 57.51 1mac s PHE 11 Cb -0.01 -3.24 0.10 0.00 -0.34 0.00 0.00 43.02 39.53 1mac s PHE 11 CO -0.09 -0.49 0.08 1.21 -1.46 0.00 0.00 175.22 174.47 1mac s ASN 12 N 1.16 4.67 0.66 6.13 3.04 -1.26 -5.00 114.94 124.34 1mac s ASN 12 Ca 0.51 -2.26 0.44 0.00 0.04 0.00 0.00 52.86 51.60 1mac s ASN 12 Cb -0.21 -1.59 2.40 0.00 -1.54 0.00 0.00 41.25 40.31 1mac s ASN 12 CO 0.21 -0.36 2.37 1.55 -3.04 0.00 0.00 177.10 177.83 1mac h PRO 13 N 7.47 0.00 0.00 0.43 0.13 -1.95 -1.85 132.00 136.23 1mac h PRO 13 Ca -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 1mac h PRO 13 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1mac h PRO 13 CO 0.54 0.00 -0.64 0.66 -0.23 0.00 0.00 178.00 178.33 1mac h SER 14 N 0.00 0.00 -0.00 1.44 4.64 -2.03 -3.38 113.55 114.21 1mac h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mac h SER 14 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1mac h SER 14 CO 0.00 0.64 -0.03 0.35 -0.87 0.00 0.00 176.83 176.92 1mac n THR 15 N -3.58 0.00 -4.05 2.95 -2.24 -0.73 -4.81 114.28 101.83 1mac n THR 15 Ca -0.00 -0.49 -0.07 0.00 -2.27 0.00 0.00 64.05 61.22 1mac n THR 15 Cb 0.68 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.85 1mac n THR 15 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1mac s TRP 16 N -0.49 0.45 0.01 4.78 0.52 -1.01 -1.30 118.94 121.90 1mac s TRP 16 Ca 0.02 -0.98 -0.01 0.00 0.02 0.00 0.00 56.10 55.15 1mac s TRP 16 Cb 0.02 -0.33 -0.01 0.00 -1.15 0.00 0.00 33.47 32.00 1mac s TRP 16 CO 0.04 -0.41 0.01 -1.83 0.02 0.00 0.00 176.95 174.78 1mac s GLU 17 N -3.91 0.28 -0.19 4.98 -1.05 0.20 -4.46 118.70 114.55 1mac s GLU 17 Ca 0.07 -0.44 -0.16 0.00 -0.15 0.00 0.00 54.97 54.29 1mac s GLU 17 Cb 0.07 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1mac s GLU 17 CO -0.10 -0.05 0.39 0.15 0.95 0.00 0.00 175.26 176.60 1mac s LYS 18 N -1.14 4.19 0.32 -4.83 1.02 -1.26 -0.74 119.74 117.30 1mac s LYS 18 Ca -0.12 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.78 1mac s LYS 18 Cb -0.08 -3.52 -0.10 0.00 -0.52 0.00 0.00 37.83 33.61 1mac s LYS 18 CO -0.00 0.00 1.30 0.00 -0.92 0.00 0.00 175.35 175.73 1mac s ALA 19 N 1.18 3.50 -0.10 5.17 0.00 -0.63 -4.86 121.76 126.03 1mac s ALA 19 Ca 0.19 1.24 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 1mac s ALA 19 Cb -0.15 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.56 1mac s ALA 19 CO 0.08 -0.62 0.57 0.34 0.00 0.00 0.00 175.76 176.13 1mac s ASP 20 N -0.44 -0.54 -0.67 0.00 2.15 -1.26 -3.35 116.67 112.57 1mac s ASP 20 Ca 0.49 0.73 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1mac s ASP 20 Cb -0.39 0.71 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 1mac s ASP 20 CO 0.51 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 1mac n GLY 21 N 1.60 0.65 3.50 2.66 0.00 -0.66 -4.98 105.19 107.96 1mac n GLY 21 Ca -0.18 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1mac n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mac s TYR 22 N -2.28 -0.28 0.18 1.61 1.13 -1.26 -5.03 117.35 111.42 1mac s TYR 22 Ca 0.00 -0.02 0.11 0.00 -1.41 0.00 0.00 57.07 55.74 1mac s TYR 22 Cb 0.00 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1mac s TYR 22 CO 0.00 -0.90 -0.21 0.45 -2.51 0.00 0.00 175.55 172.38 1mac s SER 23 N -2.83 3.61 0.41 -0.18 0.15 -1.26 -2.19 113.70 111.42 1mac s SER 23 Ca 0.06 -0.77 0.22 0.00 0.70 0.00 0.00 55.95 56.15 1mac s SER 23 Cb -0.01 -0.36 0.29 0.00 -1.71 0.00 0.00 66.02 64.23 1mac s SER 23 CO -0.06 0.13 1.56 0.78 1.20 0.00 0.00 173.24 176.85 1mac h ASN 24 N 3.27 0.00 0.00 5.45 -0.26 -1.88 -3.50 115.58 118.67 1mac h ASN 24 Ca -0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1mac h ASN 24 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1mac h ASN 24 CO 0.48 0.06 0.00 0.61 -1.06 0.00 0.00 177.43 177.52 1mac n GLY 25 N 1.12 -0.84 7.00 2.83 0.00 -1.26 -4.93 105.19 109.11 1mac n GLY 25 Ca 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1mac n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mac n GLY 26 N 0.00 3.77 0.72 -0.02 0.00 -1.26 -0.26 105.19 108.15 1mac n GLY 26 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1mac n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mac n VAL 27 N 0.00 0.48 -3.17 1.61 0.24 -1.26 -4.88 118.33 111.35 1mac n VAL 27 Ca 0.00 -0.51 -0.40 0.00 -2.04 0.00 0.00 64.34 61.39 1mac n VAL 27 Cb 0.00 0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 1mac n VAL 27 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1mac s PHE 28 N -1.52 3.39 -0.46 6.34 0.40 0.64 -2.85 117.98 123.93 1mac s PHE 28 Ca 0.28 0.89 0.03 0.00 -0.60 0.00 0.00 56.93 57.54 1mac s PHE 28 Cb 0.15 -2.74 0.49 0.00 0.51 0.00 0.00 43.02 41.43 1mac s PHE 28 CO 0.20 -0.12 1.68 -1.71 0.70 0.00 0.00 175.22 175.97 1mac n ASN 29 N 4.82 5.36 -3.44 1.36 5.15 -0.07 -4.39 115.26 124.05 1mac n ASN 29 Ca -0.03 -3.76 -0.09 0.00 -0.60 0.00 0.00 54.58 50.10 1mac n ASN 29 Cb 0.50 -0.72 -0.01 0.00 -0.53 0.00 0.00 39.78 39.02 1mac n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mac s THR 31 N -3.19 2.62 0.08 0.00 2.01 -0.82 -4.50 115.64 111.85 1mac s THR 31 Ca 0.17 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 1mac s THR 31 Cb -0.04 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 1mac s THR 31 CO 0.11 0.50 1.00 0.26 -0.69 0.00 0.00 174.62 175.80 1mac s TRP 32 N -0.76 3.71 -0.08 4.92 0.23 -0.93 0.14 118.94 126.17 1mac s TRP 32 Ca 0.12 1.70 0.02 0.00 -2.03 0.00 0.00 56.10 55.92 1mac s TRP 32 Cb -0.10 -3.13 0.01 0.00 0.03 0.00 0.00 33.47 30.28 1mac s TRP 32 CO 0.02 -0.08 -0.14 1.03 0.96 0.00 0.00 176.95 178.73 1mac s ARG 33 N 0.34 1.95 0.65 4.98 1.81 -0.83 -1.65 118.95 126.20 1mac s ARG 33 Ca 0.50 -0.49 0.38 0.00 -1.72 0.00 0.00 55.73 54.40 1mac s ARG 33 Cb -0.24 -1.61 2.14 0.00 -0.45 0.00 0.00 34.95 34.79 1mac s ARG 33 CO 0.30 0.01 2.27 0.00 -0.68 0.00 0.00 175.30 177.20 1mac h ALA 34 N 7.09 1.23 0.00 2.13 0.00 -1.87 0.27 119.26 128.11 1mac h ALA 34 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1mac h ALA 34 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1mac h ALA 34 CO 0.47 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.74 1mac n ASN 35 N -3.29 0.34 -0.46 0.00 4.13 -1.26 -2.20 115.26 112.52 1mac n ASN 35 Ca -0.02 0.54 0.08 0.00 1.68 0.00 0.00 54.58 56.86 1mac n ASN 35 Cb 0.14 -0.63 0.31 0.00 -1.54 0.00 0.00 39.78 38.06 1mac n ASN 35 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mac n ASN 36 N -1.83 1.36 -4.29 6.41 4.13 0.94 -4.62 115.26 117.37 1mac n ASN 36 Ca 0.06 -1.77 -0.44 0.00 1.68 0.00 0.00 54.58 54.11 1mac n ASN 36 Cb 0.34 -0.12 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 1mac n ASN 36 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1mac s VAL 37 N -1.76 4.90 0.23 2.41 1.01 -0.93 -0.62 120.40 125.63 1mac s VAL 37 Ca 0.27 -1.54 0.09 0.00 0.00 0.00 0.00 61.98 60.80 1mac s VAL 37 Cb 0.14 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1mac s VAL 37 CO 0.21 -0.81 -0.17 0.20 0.00 0.00 0.00 175.10 174.53 1mac s ASN 38 N 3.21 2.93 -0.12 3.32 0.01 -0.25 -5.00 114.94 119.04 1mac s ASN 38 Ca 0.04 -1.01 0.01 0.00 -0.71 0.00 0.00 52.86 51.19 1mac s ASN 38 Cb -0.28 -0.19 0.02 0.00 0.41 0.00 0.00 41.25 41.20 1mac s ASN 38 CO 0.02 -0.09 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.02 1mac s PHE 39 N -2.76 2.04 0.75 2.20 0.40 -1.25 0.18 117.98 119.54 1mac s PHE 39 Ca 0.25 -1.03 -0.11 0.00 -0.60 0.00 0.00 56.93 55.44 1mac s PHE 39 Cb -0.03 -1.49 0.04 0.00 0.51 0.00 0.00 43.02 42.06 1mac s PHE 39 CO 0.10 -0.55 1.08 0.95 0.70 0.00 0.00 175.22 177.49 1mac s THR 40 N 1.20 3.59 0.57 0.64 -4.23 0.79 -4.90 115.64 113.31 1mac s THR 40 Ca -0.02 0.52 0.27 0.00 -1.18 0.00 0.00 61.69 61.28 1mac s THR 40 Cb -0.14 -3.12 0.34 0.00 1.34 0.00 0.00 72.50 70.93 1mac s THR 40 CO -0.05 -0.68 2.18 0.78 -0.54 0.00 0.00 174.62 176.31 1mac h ASN 41 N -0.97 0.00 -0.56 3.99 2.35 -1.98 0.20 115.58 118.62 1mac h ASN 41 Ca -0.44 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.19 1mac h ASN 41 Cb 1.22 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.52 1mac h ASN 41 CO 0.54 0.00 0.15 -0.90 -1.65 0.00 0.00 177.43 175.57 1mac n ASP 42 N -3.99 4.45 -2.14 5.81 5.75 -1.26 -4.93 116.55 120.23 1mac n ASP 42 Ca -0.01 -2.90 -0.08 0.00 -0.01 0.00 0.00 54.79 51.79 1mac n ASP 42 Cb 0.18 -0.69 0.04 0.00 -1.03 0.00 0.00 41.12 39.63 1mac n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mac n GLY 43 N 0.12 0.06 3.34 6.12 0.00 0.06 -5.06 105.19 109.83 1mac n GLY 43 Ca 0.30 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1mac n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mac s LYS 44 N -4.55 1.28 -0.17 1.61 1.02 -1.21 -4.28 119.74 113.44 1mac s LYS 44 Ca 0.02 -1.28 -0.29 0.00 0.02 0.00 0.00 55.97 54.43 1mac s LYS 44 Cb -0.00 -1.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 1mac s LYS 44 CO 0.34 0.38 1.13 -1.17 -0.92 0.00 0.00 175.35 175.11 1mac s LEU 45 N -2.06 4.17 -0.26 3.17 0.20 -0.46 -0.15 118.68 123.28 1mac s LEU 45 Ca 0.11 1.55 0.01 0.00 0.69 0.00 0.00 54.13 56.49 1mac s LEU 45 Cb -0.10 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.17 1mac s LEU 45 CO 0.05 -0.66 -0.08 -0.75 -0.29 0.00 0.00 176.35 174.63 1mac s LYS 46 N 3.02 2.44 -0.18 1.98 2.20 0.49 -1.14 119.74 128.54 1mac s LYS 46 Ca 0.49 -1.23 -0.10 0.00 -0.36 0.00 0.00 55.97 54.77 1mac s LYS 46 Cb -0.19 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1mac s LYS 46 CO 0.12 -0.54 0.16 -0.51 -0.36 0.00 0.00 175.35 174.23 1mac s LEU 47 N 1.19 4.24 0.20 5.43 1.43 0.05 -1.09 118.68 130.13 1mac s LEU 47 Ca -0.06 0.32 0.10 0.00 -1.03 0.00 0.00 54.13 53.46 1mac s LEU 47 Cb -0.19 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1mac s LEU 47 CO -0.04 0.19 -0.20 -0.83 0.23 0.00 0.00 176.35 175.70 1mac s GLY 48 N 0.21 1.57 -0.33 -3.19 0.00 0.21 -1.85 107.32 103.94 1mac s GLY 48 Ca 0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.16 1mac s GLY 48 CO -0.00 -1.68 0.08 -2.27 0.00 0.00 0.00 173.10 169.23 1mac s LEU 49 N -2.89 4.27 0.40 0.66 2.96 0.40 -3.95 118.68 120.53 1mac s LEU 49 Ca 0.20 -1.30 0.03 0.00 -0.22 0.00 0.00 54.13 52.85 1mac s LEU 49 Cb -0.06 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1mac s LEU 49 CO 0.09 -0.33 0.09 0.42 -1.32 0.00 0.00 176.35 175.30 1mac s THR 50 N 1.32 0.85 -0.04 3.68 -4.23 0.75 -2.32 115.64 115.65 1mac s THR 50 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1mac s THR 50 Cb -0.20 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1mac s THR 50 CO 0.00 0.00 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.53 1mac s SER 51 N -3.62 0.78 0.00 3.99 0.15 -1.26 -0.44 113.70 113.30 1mac s SER 51 Ca 0.25 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1mac s SER 51 Cb 0.04 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1mac s SER 51 CO 0.13 -0.11 0.72 -1.20 1.20 0.00 0.00 173.24 173.98 1mac n SER 52 N 4.35 1.13 -3.84 5.45 7.64 -1.25 -5.03 113.62 122.06 1mac n SER 52 Ca -0.22 -1.51 -0.10 0.00 1.01 0.00 0.00 58.87 58.05 1mac n SER 52 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1mac n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mac s ALA 53 N -0.51 -0.34 -0.27 -0.43 0.00 -1.26 -5.09 121.76 113.85 1mac s ALA 53 Ca 0.00 -0.36 -0.37 0.00 0.00 0.00 0.00 51.96 51.23 1mac s ALA 53 Cb 0.00 0.34 -0.13 0.00 0.00 0.00 0.00 23.12 23.33 1mac s ALA 53 CO 0.00 -0.40 1.98 0.98 0.00 0.00 0.00 175.76 178.32 1mac n TYR 54 N 0.48 1.91 -1.08 0.00 9.36 -1.26 -1.96 117.16 124.61 1mac n TYR 54 Ca -0.18 0.30 -0.03 0.00 3.32 0.00 0.00 57.90 61.31 1mac n TYR 54 Cb 0.60 -2.54 -0.01 0.00 -0.63 0.00 0.00 39.34 36.76 1mac n TYR 54 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1mac n ASN 55 N 7.74 -5.14 -4.38 2.98 3.02 -1.26 -5.01 115.26 113.21 1mac n ASN 55 Ca 0.33 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.61 1mac n ASN 55 Cb 0.21 -2.89 -0.14 0.00 -0.61 0.00 0.00 39.78 36.35 1mac n ASN 55 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1mac s LYS 56 N -1.81 3.43 -0.06 3.52 1.02 -0.83 -5.13 119.74 119.89 1mac s LYS 56 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1mac s LYS 56 Cb 0.00 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1mac s LYS 56 CO 0.00 0.19 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.53 1mac s PHE 57 N 0.42 3.03 -0.11 3.18 0.08 -1.26 -3.96 117.98 119.36 1mac s PHE 57 Ca -0.09 0.09 -0.02 0.00 0.12 0.00 0.00 56.93 57.03 1mac s PHE 57 Cb -0.16 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1mac s PHE 57 CO 0.05 0.40 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.02 1mac s ASP 58 N -1.00 4.87 0.00 1.36 1.01 0.42 -1.94 116.67 121.39 1mac s ASP 58 Ca 0.14 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.37 1mac s ASP 58 Cb -0.11 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.28 1mac s ASP 58 CO 0.04 0.27 0.00 0.00 0.21 0.00 0.00 175.17 175.69 1mac s ALA 60 N -2.00 -1.19 -0.15 0.00 0.00 -1.17 -1.97 121.76 115.27 1mac s ALA 60 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 1mac s ALA 60 Cb 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.69 1mac s ALA 60 CO 0.00 -0.26 0.33 -2.00 0.00 0.00 0.00 175.76 173.83 1mac s GLU 61 N -0.30 0.28 -0.13 0.00 2.12 -1.26 -0.96 118.70 118.46 1mac s GLU 61 Ca -0.05 0.73 -0.01 0.00 0.36 0.00 0.00 54.97 56.01 1mac s GLU 61 Cb -0.03 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.33 1mac s GLU 61 CO 0.03 -0.20 -0.11 -0.47 -0.54 0.00 0.00 175.26 173.97 1mac s TYR 62 N 1.71 2.86 -0.01 5.30 5.04 0.36 -1.60 117.35 131.00 1mac s TYR 62 Ca -0.06 -0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 54.05 1mac s TYR 62 Cb -0.10 -1.84 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 1mac s TYR 62 CO -0.11 -0.11 0.05 -0.98 -1.34 0.00 0.00 175.55 173.07 1mac s ARG 63 N 0.20 0.20 0.74 4.97 3.03 0.08 -1.18 118.95 126.99 1mac s ARG 63 Ca -0.06 -0.16 -0.14 0.00 2.03 0.00 0.00 55.73 57.39 1mac s ARG 63 Cb -0.15 0.08 0.04 0.00 -1.03 0.00 0.00 34.95 33.90 1mac s ARG 63 CO 0.04 -0.04 1.17 -1.54 -1.13 0.00 0.00 175.30 173.80 1mac s SER 64 N -0.56 4.28 -0.07 -2.89 1.04 -0.25 0.63 113.70 115.87 1mac s SER 64 Ca -0.06 2.20 0.18 0.00 0.48 0.00 0.00 55.95 58.75 1mac s SER 64 Cb -0.04 -2.57 -0.23 0.00 0.10 0.00 0.00 66.02 63.28 1mac s SER 64 CO 0.00 -2.20 0.45 0.35 0.98 0.00 0.00 173.24 172.82 1mac n THR 65 N -2.91 1.11 -2.55 2.02 -2.24 -0.42 -4.68 114.28 104.62 1mac n THR 65 Ca 0.12 -0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 1mac n THR 65 Cb 0.51 -0.54 0.08 0.00 -2.10 0.00 0.00 70.33 68.29 1mac n THR 65 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1mac s ASN 66 N -5.48 4.67 0.18 3.42 -0.87 -1.26 -5.07 114.94 110.53 1mac s ASN 66 Ca -0.07 -0.15 0.09 0.00 -1.57 0.00 0.00 52.86 51.16 1mac s ASN 66 Cb 0.08 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.25 40.85 1mac s ASN 66 CO 0.84 -1.62 -0.08 0.27 -2.57 0.00 0.00 177.10 173.94 1mac s ILE 67 N -3.05 3.27 0.03 0.60 -4.36 -1.26 -4.52 121.20 111.91 1mac s ILE 67 Ca 0.63 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 59.40 1mac s ILE 67 Cb -0.07 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 1mac s ILE 67 CO 0.43 -0.12 -0.06 -0.31 0.24 0.00 0.00 174.94 175.11 1mac s TYR 68 N -1.73 0.56 0.00 1.37 2.02 -0.47 -4.91 117.35 114.19 1mac s TYR 68 Ca 0.25 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1mac s TYR 68 Cb -0.09 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 1mac s TYR 68 CO 0.16 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 1mac n GLY 69 N 1.97 2.37 3.73 0.71 0.00 -1.26 -2.37 105.19 110.33 1mac n GLY 69 Ca -0.20 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1mac n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mac s TYR 70 N 3.92 2.17 -4.19 1.61 2.02 -1.26 -4.93 117.35 116.68 1mac s TYR 70 Ca 0.00 1.65 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 1mac s TYR 70 Cb 0.00 -3.23 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 1mac s TYR 70 CO 0.00 -2.26 0.00 0.41 -1.57 0.00 0.00 175.55 172.13 1mac n GLY 71 N -0.40 0.88 3.65 0.71 0.00 -0.43 -3.60 105.19 106.00 1mac n GLY 71 Ca 0.11 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 1mac n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mac s LEU 72 N 0.00 4.10 -0.17 0.99 2.96 -0.64 0.11 118.68 126.02 1mac s LEU 72 Ca 0.00 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1mac s LEU 72 Cb 0.00 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1mac s LEU 72 CO 0.00 0.05 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.72 1mac s TYR 73 N 1.15 2.97 -0.03 5.38 1.51 -0.53 0.43 117.35 128.23 1mac s TYR 73 Ca 0.07 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1mac s TYR 73 Cb -0.14 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1mac s TYR 73 CO 0.05 -0.23 -0.08 -1.21 -1.11 0.00 0.00 175.55 172.97 1mac s GLU 74 N 0.73 0.92 0.02 -0.62 2.02 0.11 -2.06 118.70 119.82 1mac s GLU 74 Ca -0.02 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.71 1mac s GLU 74 Cb -0.15 -0.86 -0.01 0.00 0.10 0.00 0.00 34.13 33.21 1mac s GLU 74 CO 0.02 0.09 -0.05 0.54 0.02 0.00 0.00 175.26 175.87 1mac s VAL 75 N 0.27 0.35 -0.28 2.63 0.11 -0.89 0.10 120.40 122.69 1mac s VAL 75 Ca -0.04 -0.62 -0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1mac s VAL 75 Cb -0.09 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1mac s VAL 75 CO 0.00 -0.18 0.02 -0.55 -3.33 0.00 0.00 175.10 171.07 1mac s SER 76 N -0.86 4.84 0.23 3.54 0.15 -0.57 -1.47 113.70 119.57 1mac s SER 76 Ca -0.06 -0.88 -0.11 0.00 0.70 0.00 0.00 55.95 55.60 1mac s SER 76 Cb -0.06 -1.78 -0.01 0.00 -1.71 0.00 0.00 66.02 62.46 1mac s SER 76 CO -0.00 -0.19 0.42 0.00 1.20 0.00 0.00 173.24 174.67 1mac s MET 77 N 1.40 1.47 -0.24 5.44 0.23 -1.01 0.15 119.30 126.73 1mac s MET 77 Ca 0.00 -1.28 -0.04 0.00 -1.03 0.00 0.00 55.69 53.34 1mac s MET 77 Cb -0.18 0.44 0.09 0.00 -1.53 0.00 0.00 34.83 33.65 1mac s MET 77 CO -0.00 -0.59 0.16 0.21 -2.03 0.00 0.00 175.02 172.76 1mac s LYS 78 N -4.03 0.17 0.79 3.16 2.20 -0.06 -2.92 119.74 119.05 1mac s LYS 78 Ca 0.24 -0.21 -0.11 0.00 -0.36 0.00 0.00 55.97 55.53 1mac s LYS 78 Cb 0.01 -1.31 0.07 0.00 -1.51 0.00 0.00 37.83 35.08 1mac s LYS 78 CO 0.08 -0.85 1.09 -1.25 -0.36 0.00 0.00 175.35 174.06 1mac s PRO 79 N 2.19 2.10 0.28 4.03 0.04 -1.26 -1.46 135.00 140.91 1mac s PRO 79 Ca 0.06 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 61.88 1mac s PRO 79 Cb -0.16 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1mac s PRO 79 CO -0.23 -1.71 0.83 0.00 0.04 0.00 0.00 177.00 175.93 1mac s ALA 80 N -2.96 3.31 -0.19 8.56 0.00 -1.25 -4.39 121.76 124.84 1mac s ALA 80 Ca 0.61 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 1mac s ALA 80 Cb -0.17 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1mac s ALA 80 CO 0.56 0.25 -0.06 0.21 0.00 0.00 0.00 175.76 176.72 1mac s LYS 81 N -2.08 3.41 0.00 0.00 2.20 -1.26 -4.42 119.74 117.59 1mac s LYS 81 Ca 0.47 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1mac s LYS 81 Cb -0.17 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1mac s LYS 81 CO 0.22 -0.05 0.00 -1.71 -0.36 0.00 0.00 175.35 173.44 1mac n ASN 82 N 4.36 0.00 -4.75 1.43 2.85 -0.10 -4.99 115.26 114.06 1mac n ASN 82 Ca -0.18 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 53.92 1mac n ASN 82 Cb 0.51 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.57 1mac n ASN 82 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1mac s THR 83 N -1.34 2.45 0.00 -0.44 -1.32 -1.26 -2.11 115.64 111.63 1mac s THR 83 Ca 0.00 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1mac s THR 83 Cb 0.00 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 1mac s THR 83 CO 0.00 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1mac n GLY 84 N 0.62 0.50 3.38 6.08 0.00 0.56 -4.24 105.19 112.09 1mac n GLY 84 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1mac n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mac s ILE 85 N -2.12 1.62 0.01 -0.61 -4.36 -1.23 -1.71 121.20 112.81 1mac s ILE 85 Ca 0.00 -2.15 0.03 0.00 -0.26 0.00 0.00 60.65 58.26 1mac s ILE 85 Cb 0.00 -2.25 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 1mac s ILE 85 CO 0.00 -0.44 -0.09 -0.69 0.24 0.00 0.00 174.94 173.96 1mac s VAL 86 N -3.04 0.69 -0.13 8.37 1.01 0.36 -1.07 120.40 126.60 1mac s VAL 86 Ca 0.26 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1mac s VAL 86 Cb 0.02 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1mac s VAL 86 CO 0.09 0.04 -0.17 -0.44 0.00 0.00 0.00 175.10 174.62 1mac s SER 87 N -0.61 2.70 0.11 3.32 0.01 -0.89 -0.65 113.70 117.69 1mac s SER 87 Ca 0.00 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1mac s SER 87 Cb -0.05 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.92 1mac s SER 87 CO 0.00 0.02 0.06 -0.94 0.41 0.00 0.00 173.24 172.80 1mac s SER 88 N 1.02 0.32 -0.04 2.44 1.04 -0.33 0.59 113.70 118.75 1mac s SER 88 Ca -0.05 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 1mac s SER 88 Cb -0.15 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.29 1mac s SER 88 CO -0.03 -0.71 0.04 0.12 0.98 0.00 0.00 173.24 173.64 1mac s PHE 89 N -4.00 0.18 0.20 5.02 5.36 -0.46 -2.88 117.98 121.40 1mac s PHE 89 Ca 0.18 0.15 -0.20 0.00 -0.96 0.00 0.00 56.93 56.10 1mac s PHE 89 Cb 0.07 -0.50 0.04 0.00 -0.34 0.00 0.00 43.02 42.29 1mac s PHE 89 CO -0.02 -0.20 0.58 -0.59 -1.46 0.00 0.00 175.22 173.53 1mac s PHE 90 N 1.93 -0.29 0.00 10.12 -0.71 0.05 -1.18 117.98 127.90 1mac s PHE 90 Ca 0.02 -0.03 0.02 0.00 -1.04 0.00 0.00 56.93 55.90 1mac s PHE 90 Cb -0.12 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 1mac s PHE 90 CO -0.03 -0.94 -0.00 0.95 -1.34 0.00 0.00 175.22 173.85 1mac s THR 91 N -3.83 4.13 -0.18 -4.49 -4.23 -0.29 0.71 115.64 107.46 1mac s THR 91 Ca 0.06 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1mac s THR 91 Cb -0.02 -2.85 0.06 0.00 1.34 0.00 0.00 72.50 71.03 1mac s THR 91 CO -0.05 0.37 0.45 -0.47 -0.54 0.00 0.00 174.62 174.38 1mac s TYR 92 N -1.09 -0.61 0.00 3.99 6.14 0.43 -2.59 117.35 123.62 1mac s TYR 92 Ca 0.20 1.34 0.00 0.00 0.64 0.00 0.00 57.07 59.25 1mac s TYR 92 Cb -0.11 0.27 0.00 0.00 0.42 0.00 0.00 41.96 42.53 1mac s TYR 92 CO 0.10 -0.32 0.00 -2.37 0.64 0.00 0.00 175.55 173.60 1mac n THR 93 N 3.77 0.00 -2.64 4.34 5.66 -0.30 -1.37 114.28 123.73 1mac n THR 93 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1mac n THR 93 Cb 0.56 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 1mac n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1mac n GLY 94 N 3.45 0.82 0.00 1.09 0.00 -1.21 -0.47 105.19 108.87 1mac n GLY 94 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1mac n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mac n PRO 95 N 0.00 0.00 0.21 1.61 -0.04 0.21 -1.76 135.00 135.23 1mac n PRO 95 Ca 0.00 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.86 1mac n PRO 95 Cb 0.00 -1.54 0.28 0.00 -0.04 0.00 0.00 33.50 32.20 1mac n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mac h ALA 96 N 1.78 1.39 0.00 0.55 0.00 -1.01 0.53 119.26 122.51 1mac h ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mac h ALA 96 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1mac h ALA 96 CO 0.00 -0.39 0.00 -2.39 0.00 0.00 0.00 179.25 176.47 1mac n HIS 97 N -2.14 0.00 0.00 0.00 1.44 -1.19 -4.95 115.22 108.39 1mac n HIS 97 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1mac n HIS 97 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1mac n HIS 97 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1mac n GLY 98 N 0.00 1.83 3.87 -1.39 0.00 0.19 -5.12 105.19 104.56 1mac n GLY 98 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1mac n GLY 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mac s THR 99 N -2.00 2.34 0.11 2.61 -4.23 -0.72 -4.88 115.64 108.87 1mac s THR 99 Ca 0.00 -1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 58.79 1mac s THR 99 Cb 0.00 -2.75 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 1mac s THR 99 CO 0.00 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.18 1mac s GLN 100 N -4.16 4.55 -0.38 3.99 1.03 -1.26 0.67 119.66 124.11 1mac s GLN 100 Ca 0.44 1.66 -0.40 0.00 0.04 0.00 0.00 55.36 57.11 1mac s GLN 100 Cb -0.02 -3.33 -0.15 0.00 0.03 0.00 0.00 33.01 29.53 1mac s GLN 100 CO 0.26 -0.02 2.01 1.87 -2.54 0.00 0.00 175.29 176.86 1mac n TRP 101 N 3.08 1.63 -4.45 9.60 -0.00 -1.26 -3.34 117.44 122.70 1mac n TRP 101 Ca 0.05 0.54 -0.20 0.00 -0.00 0.00 0.00 57.50 57.89 1mac n TRP 101 Cb 0.47 -2.43 -0.14 0.00 -0.00 0.00 0.00 31.31 29.21 1mac n TRP 101 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1mac s ASP 102 N 5.57 1.49 -0.19 5.87 1.11 -1.26 0.52 116.67 129.78 1mac s ASP 102 Ca 1.09 -0.32 -0.29 0.00 0.18 0.00 0.00 52.55 53.21 1mac s ASP 102 Cb -1.13 -0.13 0.13 0.00 1.07 0.00 0.00 42.92 42.85 1mac s ASP 102 CO 0.61 0.09 1.01 -0.70 1.18 0.00 0.00 175.17 177.36 1mac s GLU 103 N -0.65 0.57 -0.08 8.23 2.12 0.94 -1.15 118.70 128.68 1mac s GLU 103 Ca 0.03 0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1mac s GLU 103 Cb -0.06 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.61 1mac s GLU 103 CO 0.00 -0.16 -0.13 0.42 -0.54 0.00 0.00 175.26 174.86 1mac s ILE 104 N -0.81 1.23 0.11 -3.70 1.01 -1.07 0.93 121.20 118.90 1mac s ILE 104 Ca -0.01 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.22 1mac s ILE 104 Cb -0.01 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1mac s ILE 104 CO -0.00 0.38 -0.23 -1.81 0.00 0.00 0.00 174.94 173.28 1mac s ASP 105 N 0.78 2.81 -0.22 3.58 1.01 -0.47 -1.13 116.67 123.04 1mac s ASP 105 Ca -0.12 -0.72 -0.01 0.00 0.71 0.00 0.00 52.55 52.42 1mac s ASP 105 Cb -0.16 -0.17 0.06 0.00 1.01 0.00 0.00 42.92 43.67 1mac s ASP 105 CO 0.02 0.10 -0.02 -0.63 0.21 0.00 0.00 175.17 174.85 1mac s ILE 106 N -1.17 1.15 -0.08 0.77 1.01 -0.33 -2.97 121.20 119.59 1mac s ILE 106 Ca 0.09 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1mac s ILE 106 Cb -0.10 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.88 1mac s ILE 106 CO 0.05 -0.14 -0.16 -1.61 0.00 0.00 0.00 174.94 173.08 1mac s GLU 107 N 1.57 2.18 -0.30 2.79 2.02 -0.27 -1.35 118.70 125.34 1mac s GLU 107 Ca -0.04 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 1mac s GLU 107 Cb -0.18 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 1mac s GLU 107 CO -0.07 0.06 0.17 -0.06 0.02 0.00 0.00 175.26 175.38 1mac s PHE 108 N 0.62 3.19 -0.44 1.61 0.40 0.20 -1.12 117.98 122.44 1mac s PHE 108 Ca -0.15 -0.32 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 1mac s PHE 108 Cb -0.16 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 41.01 1mac s PHE 108 CO 0.04 -0.36 1.34 -0.51 0.70 0.00 0.00 175.22 176.43 1mac s LEU 109 N 1.67 3.59 0.40 -0.37 1.43 -1.26 -2.09 118.68 122.05 1mac s LEU 109 Ca 0.06 0.69 0.18 0.00 -1.03 0.00 0.00 54.13 54.03 1mac s LEU 109 Cb -0.17 -3.52 1.09 0.00 0.03 0.00 0.00 46.19 43.62 1mac s LEU 109 CO 0.08 -1.40 1.80 1.23 0.23 0.00 0.00 176.35 178.29 1mac h GLY 110 N 11.99 1.11 1.96 -3.19 0.00 -1.23 0.21 103.07 113.91 1mac h GLY 110 Ca -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1mac h GLY 110 CO 1.10 -0.09 0.02 0.07 0.00 0.00 0.00 176.54 177.65 1mac h LYS 111 N 0.41 0.00 -1.43 4.80 2.10 -1.65 -0.23 116.57 120.57 1mac h LYS 111 Ca 0.55 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 59.01 1mac h LYS 111 Cb 1.39 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.47 1mac h LYS 111 CO -0.26 0.00 -0.55 0.34 -2.00 0.00 0.00 179.45 176.98 1mac s ASP 112 N -5.16 -0.33 -0.12 7.07 -1.08 0.73 -4.90 116.67 112.87 1mac s ASP 112 Ca -0.05 -1.10 0.04 0.00 -0.52 0.00 0.00 52.55 50.93 1mac s ASP 112 Cb 0.13 1.34 0.30 0.00 -1.46 0.00 0.00 42.92 43.23 1mac s ASP 112 CO 0.41 -0.22 1.13 0.35 0.52 0.00 0.00 175.17 177.36 1mac n THR 113 N 4.39 1.38 0.92 1.71 -2.24 -1.24 -2.94 114.28 116.25 1mac n THR 113 Ca 0.11 -0.63 0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1mac n THR 113 Cb 0.52 -0.55 0.07 0.00 -2.10 0.00 0.00 70.33 68.27 1mac n THR 113 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1mac n THR 114 N 0.10 0.00 -4.26 4.28 -1.04 -1.26 0.11 114.28 112.21 1mac n THR 114 Ca 0.16 -0.46 -0.16 0.00 -2.04 0.00 0.00 64.05 61.55 1mac n THR 114 Cb 0.75 1.41 -0.10 0.00 -1.82 0.00 0.00 70.33 70.57 1mac n THR 114 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1mac s LYS 115 N -1.93 1.08 0.08 -2.82 1.02 -1.15 -1.55 119.74 114.46 1mac s LYS 115 Ca 0.24 -1.40 0.05 0.00 0.02 0.00 0.00 55.97 54.88 1mac s LYS 115 Cb 0.18 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1mac s LYS 115 CO 0.33 0.12 -0.15 0.54 -0.92 0.00 0.00 175.35 175.27 1mac s VAL 116 N -2.92 1.17 -0.13 3.17 0.11 -0.65 -4.60 120.40 116.57 1mac s VAL 116 Ca 0.15 -1.37 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 1mac s VAL 116 Cb -0.00 -1.16 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1mac s VAL 116 CO 0.02 -0.24 -0.20 -1.58 -3.33 0.00 0.00 175.10 169.77 1mac s GLN 117 N -1.86 3.13 0.13 1.54 0.74 -0.27 -1.32 119.66 121.74 1mac s GLN 117 Ca -0.00 -0.81 0.06 0.00 0.05 0.00 0.00 55.36 54.65 1mac s GLN 117 Cb -0.09 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 1mac s GLN 117 CO 0.02 0.10 0.00 -0.06 -0.55 0.00 0.00 175.29 174.80 1mac s PHE 118 N 0.57 2.93 0.07 1.67 0.08 0.12 -1.11 117.98 122.30 1mac s PHE 118 Ca -0.12 -0.08 -0.27 0.00 0.12 0.00 0.00 56.93 56.59 1mac s PHE 118 Cb -0.16 -1.47 0.09 0.00 -0.57 0.00 0.00 43.02 40.91 1mac s PHE 118 CO 0.04 0.49 1.16 1.21 -0.10 0.00 0.00 175.22 178.02 1mac s ASN 119 N -2.59 -0.05 0.00 1.36 2.47 -1.16 -1.91 114.94 113.06 1mac s ASN 119 Ca 0.26 -0.34 -0.28 0.00 0.42 0.00 0.00 52.86 52.92 1mac s ASN 119 Cb -0.11 0.31 0.08 0.00 -1.45 0.00 0.00 41.25 40.09 1mac s ASN 119 CO 0.18 -0.60 0.73 -0.72 -3.72 0.00 0.00 177.10 172.98 1mac s TYR 120 N -2.46 -0.54 -0.11 0.43 1.13 -1.26 -1.36 117.35 113.18 1mac s TYR 120 Ca 0.19 0.71 0.03 0.00 -1.41 0.00 0.00 57.07 56.59 1mac s TYR 120 Cb 0.01 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 41.35 1mac s TYR 120 CO 0.00 -0.63 -0.20 0.71 -2.51 0.00 0.00 175.55 172.92 1mac s TYR 121 N -2.16 2.32 -0.21 -3.49 1.51 0.26 -4.48 117.35 111.11 1mac s TYR 121 Ca -0.04 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.02 1mac s TYR 121 Cb -0.00 -1.59 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 1mac s TYR 121 CO -0.00 -0.45 -0.17 0.99 -1.11 0.00 0.00 175.55 174.81 1mac s THR 122 N 0.61 2.10 -1.62 -0.71 2.01 -1.09 -0.04 115.64 116.89 1mac s THR 122 Ca -0.14 -1.19 -0.09 0.00 0.31 0.00 0.00 61.69 60.58 1mac s THR 122 Cb -0.17 -2.01 0.08 0.00 0.01 0.00 0.00 72.50 70.42 1mac s THR 122 CO 0.04 0.34 0.40 0.59 -0.69 0.00 0.00 174.62 175.30 1mac n ASN 123 N 4.55 -0.89 0.00 3.53 3.02 -0.73 0.81 115.26 125.55 1mac n ASN 123 Ca -0.18 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1mac n ASN 123 Cb 0.47 -2.23 0.00 0.00 -0.61 0.00 0.00 39.78 37.41 1mac n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mac n GLY 124 N -1.86 1.78 3.54 7.41 0.00 0.19 -4.77 105.19 111.47 1mac n GLY 124 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1mac n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mac s VAL 125 N -3.36 4.98 0.00 1.61 1.01 0.24 -5.01 120.40 119.87 1mac s VAL 125 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1mac s VAL 125 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1mac s VAL 125 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1mac n GLY 126 N 4.90 1.71 1.27 4.51 0.00 -1.26 -2.67 105.19 113.66 1mac n GLY 126 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1mac n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mac n GLY 127 N 5.00 0.77 0.74 -0.02 0.00 -1.26 -4.98 105.19 105.44 1mac n GLY 127 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.41 1mac n GLY 127 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mac n HIS 128 N -2.76 0.43 -1.63 1.61 -0.00 -1.26 -5.05 115.22 106.56 1mac n HIS 128 Ca 0.00 -1.43 -0.40 0.00 -0.00 0.00 0.00 57.72 55.89 1mac n HIS 128 Cb 0.14 -0.32 0.03 0.00 -0.00 0.00 0.00 29.99 29.84 1mac n HIS 128 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1mac n GLU 129 N -1.13 1.26 -3.65 -0.41 4.71 -1.26 -4.46 120.64 115.71 1mac n GLU 129 Ca 0.24 0.46 -0.02 0.00 -0.01 0.00 0.00 57.16 57.83 1mac n GLU 129 Cb 0.81 -2.16 -0.05 0.00 -1.01 0.00 0.00 31.44 29.04 1mac n GLU 129 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1mac s LYS 130 N -2.37 0.55 -0.17 3.49 2.47 -0.80 -4.99 119.74 117.92 1mac s LYS 130 Ca 0.68 1.41 -0.03 0.00 -1.56 0.00 0.00 55.97 56.47 1mac s LYS 130 Cb -0.48 0.81 -0.02 0.00 -1.46 0.00 0.00 37.83 36.67 1mac s LYS 130 CO 0.53 -0.20 -0.05 0.08 0.16 0.00 0.00 175.35 175.86 1mac s VAL 131 N 2.85 3.65 0.09 4.02 1.01 -1.26 0.16 120.40 130.91 1mac s VAL 131 Ca -0.06 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1mac s VAL 131 Cb -0.12 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1mac s VAL 131 CO -0.18 0.48 -0.25 0.27 0.00 0.00 0.00 175.10 175.41 1mac s ILE 132 N 0.61 2.08 -0.05 2.22 -5.25 -0.44 -4.96 121.20 115.41 1mac s ILE 132 Ca -0.03 -1.53 -0.30 0.00 -0.99 0.00 0.00 60.65 57.80 1mac s ILE 132 Cb -0.15 -1.82 -0.03 0.00 2.95 0.00 0.00 42.46 43.42 1mac s ILE 132 CO 0.03 0.19 1.18 -0.44 -1.79 0.00 0.00 174.94 174.11 1mac s SER 133 N -1.63 7.07 0.16 4.36 0.01 -1.26 -1.63 113.70 120.78 1mac s SER 133 Ca 0.11 1.81 0.12 0.00 1.31 0.00 0.00 55.95 59.30 1mac s SER 133 Cb -0.10 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 1mac s SER 133 CO 0.04 -0.56 1.23 -0.07 0.41 0.00 0.00 173.24 174.29 1mac h LEU 134 N 8.04 0.00 0.00 2.44 3.38 -1.64 -3.48 115.31 124.04 1mac h LEU 134 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1mac h LEU 134 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1mac h LEU 134 CO 0.87 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.75 1mac n GLY 135 N 1.32 0.69 3.84 0.83 0.00 -1.26 -5.01 105.19 105.61 1mac n GLY 135 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1mac n GLY 135 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mac s PHE 136 N -2.65 -0.15 -0.55 1.61 -0.12 -1.26 -5.12 117.98 109.75 1mac s PHE 136 Ca 0.00 -0.31 -0.19 0.00 -0.05 0.00 0.00 56.93 56.38 1mac s PHE 136 Cb 0.00 0.71 0.08 0.00 -0.63 0.00 0.00 43.02 43.18 1mac s PHE 136 CO 0.00 -1.22 0.68 0.34 -0.05 0.00 0.00 175.22 174.96 1mac s ASP 137 N -2.94 6.21 0.40 1.98 -1.08 -1.26 -4.41 116.67 115.56 1mac s ASP 137 Ca 0.12 -1.11 0.24 0.00 -0.52 0.00 0.00 52.55 51.28 1mac s ASP 137 Cb -0.05 -2.30 1.31 0.00 -1.46 0.00 0.00 42.92 40.41 1mac s ASP 137 CO 0.07 -1.01 1.63 0.00 0.52 0.00 0.00 175.17 176.38 1mac h ALA 138 N 9.10 2.41 0.00 3.66 0.00 -0.68 -0.60 119.26 133.15 1mac h ALA 138 Ca -0.28 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mac h ALA 138 Cb 1.09 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1mac h ALA 138 CO 1.03 -1.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1mac n SER 139 N -4.88 0.13 0.02 0.00 3.41 -1.26 -3.46 113.62 107.58 1mac n SER 139 Ca 0.35 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.61 1mac n SER 139 Cb 1.26 -0.55 0.25 0.00 -0.26 0.00 0.00 64.21 64.91 1mac n SER 139 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mac n LYS 140 N -1.64 0.10 -3.70 4.33 5.02 -0.23 -4.88 118.16 117.16 1mac n LYS 140 Ca 0.05 0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1mac n LYS 140 Cb 0.25 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1mac n LYS 140 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1mac s GLY 141 N -3.23 -0.30 0.14 0.72 0.00 -1.22 -5.13 107.32 98.29 1mac s GLY 141 Ca 0.10 0.35 -0.26 0.00 0.00 0.00 0.00 44.72 44.91 1mac s GLY 141 CO 0.69 0.07 0.79 -1.36 0.00 0.00 0.00 173.10 173.29 1mac s PHE 142 N -2.93 3.87 0.24 1.90 0.40 -1.26 -4.65 117.98 115.54 1mac s PHE 142 Ca 0.13 1.61 0.01 0.00 -0.60 0.00 0.00 56.93 58.09 1mac s PHE 142 Cb 0.01 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.69 1mac s PHE 142 CO -0.00 0.44 0.07 -1.01 0.70 0.00 0.00 175.22 175.43 1mac s HIS 143 N -0.84 1.47 -0.11 0.36 3.76 -1.15 -4.98 115.29 113.81 1mac s HIS 143 Ca 0.37 -1.14 -0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1mac s HIS 143 Cb -0.23 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.58 1mac s HIS 143 CO 0.26 -0.30 -0.08 0.99 -0.85 0.00 0.00 174.74 174.75 1mac s THR 144 N -3.73 3.54 0.03 1.30 2.01 -1.26 -2.41 115.64 115.12 1mac s THR 144 Ca 0.35 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1mac s THR 144 Cb 0.07 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1mac s THR 144 CO 0.11 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.13 1mac s TYR 145 N -0.17 1.33 0.14 4.92 1.51 -0.54 0.43 117.35 124.96 1mac s TYR 145 Ca 0.02 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.64 1mac s TYR 145 Cb -0.13 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 1mac s TYR 145 CO 0.03 0.03 0.31 0.00 -1.11 0.00 0.00 175.55 174.80 1mac s ALA 146 N -0.73 -0.30 -0.05 3.71 0.00 0.86 -2.10 121.76 123.15 1mac s ALA 146 Ca 0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1mac s ALA 146 Cb -0.07 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1mac s ALA 146 CO 0.01 -0.63 0.12 -0.59 0.00 0.00 0.00 175.76 174.67 1mac s PHE 147 N -3.91 -0.13 -0.31 0.00 -0.12 -0.87 -0.04 117.98 112.61 1mac s PHE 147 Ca 0.11 0.36 -0.09 0.00 -0.05 0.00 0.00 56.93 57.27 1mac s PHE 147 Cb 0.03 -0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 1mac s PHE 147 CO -0.05 -0.10 0.13 0.34 -0.05 0.00 0.00 175.22 175.49 1mac s ASP 148 N 0.55 5.41 -0.41 1.98 2.15 0.23 -1.45 116.67 125.14 1mac s ASP 148 Ca -0.04 -0.59 -0.10 0.00 0.43 0.00 0.00 52.55 52.25 1mac s ASP 148 Cb -0.06 -1.96 0.06 0.00 -0.30 0.00 0.00 42.92 40.66 1mac s ASP 148 CO -0.02 -0.20 0.25 0.86 -0.17 0.00 0.00 175.17 175.89 1mac s TRP 149 N 1.58 3.30 0.21 -5.34 -0.00 0.12 -2.31 118.94 116.50 1mac s TRP 149 Ca 0.04 -1.35 0.11 0.00 -0.00 0.00 0.00 56.10 54.90 1mac s TRP 149 Cb -0.17 -2.82 -0.05 0.00 -0.00 0.00 0.00 33.47 30.44 1mac s TRP 149 CO 0.05 -0.79 -0.21 -0.65 -0.00 0.00 0.00 176.95 175.35 1mac s GLN 150 N 1.47 1.48 0.50 5.86 -1.52 -0.26 -1.32 119.66 125.88 1mac s GLN 150 Ca 0.03 -1.56 0.41 0.00 -1.95 0.00 0.00 55.36 52.28 1mac s GLN 150 Cb -0.22 -1.65 1.60 0.00 -0.22 0.00 0.00 33.01 32.53 1mac s GLN 150 CO 0.04 0.33 1.60 -1.35 -0.25 0.00 0.00 175.29 175.66 1mac h PRO 151 N 2.94 0.02 0.00 2.91 0.11 -1.97 -1.27 132.00 134.74 1mac h PRO 151 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1mac h PRO 151 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1mac h PRO 151 CO 0.53 0.01 -1.00 0.41 -0.21 0.00 0.00 178.00 177.74 1mac n GLY 152 N -1.73 -0.43 3.57 -0.55 0.00 -1.26 -4.82 105.19 99.96 1mac n GLY 152 Ca 0.41 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1mac n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mac s TYR 153 N -2.55 0.42 -0.09 1.61 -0.85 -0.48 -4.50 117.35 110.91 1mac s TYR 153 Ca 0.02 -0.77 -0.01 0.00 -0.52 0.00 0.00 57.07 55.79 1mac s TYR 153 Cb 0.10 0.16 0.03 0.00 0.38 0.00 0.00 41.96 42.62 1mac s TYR 153 CO 0.58 -0.99 -0.05 0.42 -1.52 0.00 0.00 175.55 173.99 1mac s ILE 154 N -3.96 0.79 -0.09 -3.49 1.01 -0.69 -1.11 121.20 113.66 1mac s ILE 154 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1mac s ILE 154 Cb -0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1mac s ILE 154 CO 0.10 0.32 -0.20 -0.54 0.00 0.00 0.00 174.94 174.62 1mac s LYS 155 N 1.73 2.88 -0.07 2.79 1.02 -0.98 0.59 119.74 127.70 1mac s LYS 155 Ca 0.04 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.24 1mac s LYS 155 Cb -0.13 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1mac s LYS 155 CO -0.06 0.33 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.00 1mac s TRP 156 N -0.01 2.79 0.04 3.18 0.51 0.25 -0.60 118.94 125.09 1mac s TRP 156 Ca -0.06 -0.18 0.04 0.00 -2.12 0.00 0.00 56.10 53.78 1mac s TRP 156 Cb -0.15 -1.69 -0.02 0.00 -0.81 0.00 0.00 33.47 30.80 1mac s TRP 156 CO 0.05 0.17 -0.13 0.71 -0.51 0.00 0.00 176.95 177.24 1mac s TYR 157 N -0.57 1.11 -0.13 -1.98 2.02 0.95 0.30 117.35 119.04 1mac s TYR 157 Ca 0.08 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1mac s TYR 157 Cb -0.11 -0.66 0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1mac s TYR 157 CO 0.01 0.02 -0.16 0.08 -1.57 0.00 0.00 175.55 173.93 1mac s VAL 158 N -0.84 1.62 -1.61 0.71 1.01 -0.50 -0.10 120.40 120.68 1mac s VAL 158 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 1mac s VAL 158 Cb -0.08 -1.49 0.13 0.00 0.00 0.00 0.00 36.38 34.95 1mac s VAL 158 CO 0.01 0.47 0.80 0.47 0.00 0.00 0.00 175.10 176.85 1mac n ASP 159 N 4.44 -3.74 0.00 3.32 8.00 0.17 -0.87 116.55 127.87 1mac n ASP 159 Ca -0.18 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1mac n ASP 159 Cb 0.51 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 1mac n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mac n GLY 160 N -1.42 0.84 3.66 0.44 0.00 -1.26 -5.02 105.19 102.42 1mac n GLY 160 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1mac n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mac s VAL 161 N -3.40 5.24 -0.01 1.61 1.01 -0.05 -5.05 120.40 119.74 1mac s VAL 161 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.80 1mac s VAL 161 Cb 0.00 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 1mac s VAL 161 CO 0.00 0.39 1.94 -0.11 0.00 0.00 0.00 175.10 177.32 1mac n LEU 162 N 4.01 3.89 -0.10 3.92 0.00 -1.26 -1.41 117.00 126.05 1mac n LEU 162 Ca -0.16 0.93 -0.13 0.00 0.00 0.00 0.00 56.01 56.65 1mac n LEU 162 Cb 0.52 -1.46 -0.10 0.00 0.00 0.00 0.00 43.42 42.38 1mac n LEU 162 CO 0.35 0.10 -1.15 0.29 0.00 0.00 0.00 177.39 176.99 1mac n LYS 163 N 7.19 0.62 -3.59 1.96 4.76 0.88 -4.93 118.16 125.05 1mac n LYS 163 Ca 0.21 0.10 -0.16 0.00 -2.87 0.00 0.00 58.31 55.59 1mac n LYS 163 Cb 0.36 -1.41 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 1mac n LYS 163 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1mac s HIS 164 N -2.41 -0.54 -0.03 2.13 5.04 -1.02 -4.98 115.29 113.48 1mac s HIS 164 Ca -0.25 0.98 0.04 0.00 -1.54 0.00 0.00 55.06 54.28 1mac s HIS 164 Cb 0.07 0.31 -0.00 0.00 0.04 0.00 0.00 32.58 33.00 1mac s HIS 164 CO 0.49 -0.52 -0.13 0.99 -2.34 0.00 0.00 174.74 173.23 1mac s THR 165 N -1.06 1.10 0.15 0.89 2.01 -1.26 0.88 115.64 118.36 1mac s THR 165 Ca -0.10 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.42 1mac s THR 165 Cb -0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1mac s THR 165 CO 0.08 0.32 -0.19 0.00 -0.69 0.00 0.00 174.62 174.14 1mac s ALA 166 N -0.03 1.96 0.00 7.40 0.00 0.20 -4.96 121.76 126.33 1mac s ALA 166 Ca -0.00 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1mac s ALA 166 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1mac s ALA 166 CO 0.01 0.26 0.10 0.25 0.00 0.00 0.00 175.76 176.37 1mac n THR 167 N 0.44 0.00 -3.55 0.00 -2.24 -1.26 -1.70 114.28 105.97 1mac n THR 167 Ca -0.14 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 1mac n THR 167 Cb 0.56 1.67 -0.07 0.00 -2.10 0.00 0.00 70.33 70.40 1mac n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mac s ALA 168 N -0.03 3.61 -1.22 6.98 0.00 -1.26 -4.54 121.76 125.30 1mac s ALA 168 Ca 0.00 -0.44 -0.36 0.00 0.00 0.00 0.00 51.96 51.16 1mac s ALA 168 Cb 0.00 -2.37 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1mac s ALA 168 CO 0.00 0.15 0.68 0.09 0.00 0.00 0.00 175.76 176.68 1mac n ASN 169 N 3.34 -4.10 -4.72 0.00 3.02 -1.26 -4.86 115.26 106.68 1mac n ASN 169 Ca -0.12 -1.32 -0.42 0.00 -0.03 0.00 0.00 54.58 52.69 1mac n ASN 169 Cb 0.52 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.07 1mac n ASN 169 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mac s ILE 170 N -3.53 3.94 1.00 2.41 -1.09 -1.26 -4.69 121.20 117.98 1mac s ILE 170 Ca 0.50 1.46 -0.11 0.00 -2.23 0.00 0.00 60.65 60.26 1mac s ILE 170 Cb -0.28 -3.93 0.16 0.00 -1.58 0.00 0.00 42.46 36.83 1mac s ILE 170 CO 0.98 0.15 0.95 -2.65 -1.23 0.00 0.00 174.94 173.14 1mac n PRO 171 N 3.50 -0.97 0.00 2.79 -0.01 -1.26 -4.99 135.00 134.05 1mac n PRO 171 Ca 0.07 -0.23 0.00 0.00 -0.01 0.00 0.00 63.50 63.33 1mac n PRO 171 Cb 0.46 -2.22 0.00 0.00 -0.01 0.00 0.00 33.50 31.73 1mac n PRO 171 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 1mac n SER 172 N -3.88 0.01 -4.71 2.55 3.41 -1.26 -4.88 113.62 104.86 1mac n SER 172 Ca 0.09 -0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 57.87 1mac n SER 172 Cb 0.53 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1mac n SER 172 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1mac s THR 173 N -0.01 5.00 0.81 6.66 2.01 -1.26 -4.99 115.64 123.86 1mac s THR 173 Ca 0.00 1.58 -0.13 0.00 0.31 0.00 0.00 61.69 63.45 1mac s THR 173 Cb 0.00 -4.10 0.08 0.00 0.01 0.00 0.00 72.50 68.49 1mac s THR 173 CO 0.00 0.22 1.19 -2.16 -0.69 0.00 0.00 174.62 173.18 1mac s PRO 174 N 0.94 1.65 0.09 4.92 0.04 -1.26 -4.90 135.00 136.48 1mac s PRO 174 Ca 0.40 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1mac s PRO 174 Cb -0.18 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1mac s PRO 174 CO 0.20 -2.19 0.16 0.41 0.04 0.00 0.00 177.00 175.61 1mac n GLY 175 N 0.35 2.10 3.89 0.56 0.00 -1.00 -4.74 105.19 106.34 1mac n GLY 175 Ca 0.13 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1mac n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mac s LYS 176 N -2.07 3.73 -0.19 1.61 1.02 -0.47 -1.36 119.74 122.01 1mac s LYS 176 Ca 0.04 0.24 -0.13 0.00 0.02 0.00 0.00 55.97 56.14 1mac s LYS 176 Cb -0.01 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1mac s LYS 176 CO 0.03 0.17 0.27 0.42 -0.92 0.00 0.00 175.35 175.32 1mac s ILE 177 N -2.09 5.30 0.06 2.17 1.01 -1.26 -0.43 121.20 125.96 1mac s ILE 177 Ca 0.47 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.61 1mac s ILE 177 Cb -0.11 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1mac s ILE 177 CO 0.27 0.35 -0.09 -0.04 0.00 0.00 0.00 174.94 175.43 1mac s MET 178 N 0.80 0.65 -0.01 2.79 -1.94 0.22 -1.10 119.30 120.71 1mac s MET 178 Ca 0.14 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.24 1mac s MET 178 Cb -0.13 -0.42 0.01 0.00 2.01 0.00 0.00 34.83 36.29 1mac s MET 178 CO 0.04 0.08 -0.01 -1.64 -0.01 0.00 0.00 175.02 173.47 1mac s MET 179 N -1.92 0.17 0.23 2.03 -1.94 -0.33 -0.77 119.30 116.78 1mac s MET 179 Ca -0.05 -0.03 -0.17 0.00 -1.71 0.00 0.00 55.69 53.73 1mac s MET 179 Cb -0.08 -0.23 0.02 0.00 2.01 0.00 0.00 34.83 36.55 1mac s MET 179 CO 0.00 -0.01 0.57 0.54 -0.01 0.00 0.00 175.02 176.12 1mac s ASN 180 N 0.23 -0.22 -0.06 3.03 2.20 -1.14 -0.49 114.94 118.50 1mac s ASN 180 Ca -0.02 -0.63 0.01 0.00 -0.94 0.00 0.00 52.86 51.28 1mac s ASN 180 Cb -0.04 0.62 0.02 0.00 -2.00 0.00 0.00 41.25 39.86 1mac s ASN 180 CO -0.01 -1.16 -0.04 -0.22 -2.94 0.00 0.00 177.10 172.73 1mac s LEU 181 N -2.92 1.20 0.16 3.54 2.96 -0.13 -1.18 118.68 122.30 1mac s LEU 181 Ca 0.13 -0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.68 1mac s LEU 181 Cb -0.02 -0.51 0.06 0.00 0.50 0.00 0.00 46.19 46.22 1mac s LEU 181 CO 0.03 -0.08 0.56 -1.66 -1.32 0.00 0.00 176.35 173.88 1mac s TRP 182 N 1.17 -0.43 -0.11 5.38 1.48 0.17 -3.06 118.94 123.54 1mac s TRP 182 Ca -0.07 0.18 -0.03 0.00 -1.06 0.00 0.00 56.10 55.12 1mac s TRP 182 Cb -0.14 0.49 -0.03 0.00 -1.16 0.00 0.00 33.47 32.63 1mac s TRP 182 CO -0.01 -0.84 0.01 0.54 -4.06 0.00 0.00 176.95 172.59 1mac s ASN 183 N -2.78 5.27 0.59 -2.66 6.03 -1.26 -0.49 114.94 119.65 1mac s ASN 183 Ca 0.02 0.11 0.09 0.00 -1.03 0.00 0.00 52.86 52.05 1mac s ASN 183 Cb -0.01 -1.60 0.09 0.00 -3.03 0.00 0.00 41.25 36.71 1mac s ASN 183 CO -0.11 0.33 0.82 -0.83 -2.03 0.00 0.00 177.10 175.27 1mac s GLY 184 N -0.57 1.73 -0.08 0.45 0.00 -0.69 -0.89 107.32 107.27 1mac s GLY 184 Ca 0.10 -2.11 -0.11 0.00 0.00 0.00 0.00 44.72 42.59 1mac s GLY 184 CO 0.02 -1.63 0.29 -0.51 0.00 0.00 0.00 173.10 171.27 1mac s THR 185 N -2.73 0.02 -0.07 0.90 -4.23 -1.13 -4.62 115.64 103.78 1mac s THR 185 Ca 0.62 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1mac s THR 185 Cb -0.06 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1mac s THR 185 CO 0.40 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 1mac n GLY 186 N 2.41 0.39 1.42 3.99 0.00 -1.26 -4.67 105.19 107.47 1mac n GLY 186 Ca -0.16 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1mac n GLY 186 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mac n VAL 187 N -2.68 0.74 0.05 1.61 0.24 -1.26 -4.88 118.33 112.15 1mac n VAL 187 Ca -0.01 -1.83 0.20 0.00 -2.04 0.00 0.00 64.34 60.66 1mac n VAL 187 Cb 0.17 0.65 0.73 0.00 -1.47 0.00 0.00 33.84 33.93 1mac n VAL 187 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1mac h ASP 188 N 1.19 0.00 1.83 -1.34 5.19 -1.87 0.55 116.42 121.97 1mac h ASP 188 Ca -0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1mac h ASP 188 Cb 1.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.12 1mac h ASP 188 CO 0.11 0.00 0.00 -2.24 -3.12 0.00 0.00 179.24 173.99 1mac h ASP 189 N 0.00 0.00 0.00 6.45 2.03 -1.90 -1.14 116.42 121.86 1mac h ASP 189 Ca 0.22 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.39 1mac h ASP 189 Cb 1.02 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.50 1mac h ASP 189 CO -0.00 0.00 -1.15 1.87 -1.03 0.00 0.00 179.24 178.92 1mac n TRP 190 N -2.92 0.53 0.56 4.15 -0.00 0.11 -4.69 117.44 115.18 1mac n TRP 190 Ca 0.04 0.23 0.11 0.00 -0.00 0.00 0.00 57.50 57.88 1mac n TRP 190 Cb 0.50 -0.80 0.03 0.00 -0.00 0.00 0.00 31.31 31.03 1mac n TRP 190 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1mac n LEU 191 N -4.47 0.61 0.00 5.87 4.77 0.15 -5.04 117.00 118.89 1mac n LEU 191 Ca -0.22 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1mac n LEU 191 Cb 0.53 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1mac n LEU 191 CO 0.14 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1mac n GLY 192 N 1.36 -1.34 3.86 -0.72 0.00 -0.43 -0.33 105.19 107.59 1mac n GLY 192 Ca 0.02 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1mac n GLY 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mac s SER 193 N -3.76 6.70 0.50 1.61 1.04 -1.26 -3.67 113.70 114.85 1mac s SER 193 Ca 0.00 0.85 -0.22 0.00 0.48 0.00 0.00 55.95 57.07 1mac s SER 193 Cb 0.00 -2.20 -0.06 0.00 0.10 0.00 0.00 66.02 63.85 1mac s SER 193 CO 0.00 0.22 1.22 -0.47 0.98 0.00 0.00 173.24 175.19 1mac s TYR 194 N -1.29 2.65 -0.63 5.02 5.04 -1.26 -3.88 117.35 123.00 1mac s TYR 194 Ca 0.30 1.49 0.08 0.00 -2.44 0.00 0.00 57.07 56.50 1mac s TYR 194 Cb -0.15 -3.50 0.22 0.00 0.35 0.00 0.00 41.96 38.89 1mac s TYR 194 CO 0.16 -1.97 1.18 0.27 -1.34 0.00 0.00 175.55 173.86 1mac n ASN 195 N -0.81 2.68 0.00 4.32 6.94 -1.26 -4.95 115.26 122.18 1mac n ASN 195 Ca 0.09 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 1mac n ASN 195 Cb 0.48 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1mac n ASN 195 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mac n GLY 196 N 0.18 0.76 3.74 4.83 0.00 -1.26 -5.02 105.19 108.41 1mac n GLY 196 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1mac n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mac s ALA 197 N -2.80 3.66 -0.16 4.61 0.00 -1.26 -4.99 121.76 120.81 1mac s ALA 197 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1mac s ALA 197 Cb 0.00 -3.57 0.10 0.00 0.00 0.00 0.00 23.12 19.64 1mac s ALA 197 CO 0.00 -0.76 0.84 0.54 0.00 0.00 0.00 175.76 176.38 1mac s ASN 198 N 0.50 -0.56 0.31 0.00 2.20 -1.26 -4.62 114.94 111.51 1mac s ASN 198 Ca 0.61 0.79 -0.12 0.00 -0.94 0.00 0.00 52.86 53.20 1mac s ASN 198 Cb -0.42 0.71 -0.08 0.00 -2.00 0.00 0.00 41.25 39.46 1mac s ASN 198 CO 0.42 -0.39 0.68 -2.16 -2.94 0.00 0.00 177.10 172.71 1mac s PRO 199 N -0.62 3.89 0.05 3.55 0.04 -1.26 -4.98 135.00 135.67 1mac s PRO 199 Ca -0.04 0.49 0.09 0.00 0.04 0.00 0.00 61.00 61.59 1mac s PRO 199 Cb -0.02 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1mac s PRO 199 CO 0.03 0.17 -0.25 -0.51 0.04 0.00 0.00 177.00 176.48 1mac s LEU 200 N -3.11 2.18 0.01 -3.56 2.01 -0.98 -4.96 118.68 110.26 1mac s LEU 200 Ca 0.51 -0.59 0.03 0.00 0.01 0.00 0.00 54.13 54.10 1mac s LEU 200 Cb -0.10 -1.23 -0.01 0.00 0.01 0.00 0.00 46.19 44.86 1mac s LEU 200 CO 0.21 0.24 -0.11 -0.31 1.01 0.00 0.00 176.35 177.39 1mac s TYR 201 N -0.82 0.93 -0.07 0.29 2.02 -1.26 -0.46 117.35 117.98 1mac s TYR 201 Ca 0.11 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1mac s TYR 201 Cb -0.10 -0.58 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1mac s TYR 201 CO 0.02 -0.01 -0.17 0.00 -1.57 0.00 0.00 175.55 173.83 1mac s ALA 202 N -0.46 2.53 0.02 3.71 0.00 -0.77 -3.85 121.76 122.93 1mac s ALA 202 Ca 0.02 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1mac s ALA 202 Cb -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1mac s ALA 202 CO 0.00 0.43 -0.24 -1.21 0.00 0.00 0.00 175.76 174.74 1mac s GLU 203 N -0.29 1.79 -0.10 0.00 2.02 -0.53 -0.77 118.70 120.82 1mac s GLU 203 Ca 0.01 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.05 1mac s GLU 203 Cb -0.13 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.28 1mac s GLU 203 CO 0.03 0.49 -0.11 0.71 0.02 0.00 0.00 175.26 176.40 1mac s TYR 204 N -0.69 1.62 -0.08 1.61 1.51 -0.29 -0.88 117.35 120.15 1mac s TYR 204 Ca 0.10 -0.76 -0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1mac s TYR 204 Cb -0.09 -1.25 -0.26 0.00 -0.11 0.00 0.00 41.96 40.25 1mac s TYR 204 CO 0.01 -0.45 0.51 0.22 -1.11 0.00 0.00 175.55 174.73 1mac h ASP 205 N 7.69 0.34 -4.85 2.29 1.82 0.10 -1.23 116.42 122.59 1mac h ASP 205 Ca -0.31 -0.70 0.10 0.00 -0.39 0.00 0.00 57.03 55.72 1mac h ASP 205 Cb 1.15 -0.11 -0.13 0.00 0.68 0.00 0.00 39.33 40.92 1mac h ASP 205 CO 0.45 1.62 0.44 -1.66 -1.61 0.00 0.00 179.24 178.48 1mac s TRP 206 N -2.58 -0.33 -0.03 0.28 1.48 -1.22 -4.30 118.94 112.24 1mac s TRP 206 Ca -0.16 0.14 0.02 0.00 -1.06 0.00 0.00 56.10 55.04 1mac s TRP 206 Cb 0.07 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.95 1mac s TRP 206 CO 0.80 -0.67 -0.08 0.08 -4.06 0.00 0.00 176.95 173.01 1mac s VAL 207 N -3.28 0.72 -0.04 -0.66 1.01 -0.24 -1.51 120.40 116.40 1mac s VAL 207 Ca 0.06 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1mac s VAL 207 Cb -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1mac s VAL 207 CO -0.07 0.23 -0.08 -0.75 0.00 0.00 0.00 175.10 174.43 1mac s LYS 208 N 0.25 1.08 -0.10 2.72 2.20 0.28 -0.98 119.74 125.18 1mac s LYS 208 Ca -0.04 -0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1mac s LYS 208 Cb -0.09 -0.99 0.01 0.00 -1.51 0.00 0.00 37.83 35.26 1mac s LYS 208 CO 0.00 0.01 -0.17 -0.47 -0.36 0.00 0.00 175.35 174.37 1mac s TYR 209 N 0.60 2.04 -0.27 4.03 5.04 -0.59 0.04 117.35 128.24 1mac s TYR 209 Ca -0.10 -0.92 0.02 0.00 -2.44 0.00 0.00 57.07 53.64 1mac s TYR 209 Cb -0.13 -1.44 0.06 0.00 0.35 0.00 0.00 41.96 40.80 1mac s TYR 209 CO 0.01 -0.45 -0.09 0.99 -1.34 0.00 0.00 175.55 174.67 1mac s THR 210 N 0.82 2.27 0.92 4.34 2.01 0.17 -0.53 115.64 125.64 1mac s THR 210 Ca -0.10 -1.62 -0.10 0.00 0.31 0.00 0.00 61.69 60.18 1mac s THR 210 Cb -0.16 -2.34 0.14 0.00 0.01 0.00 0.00 72.50 70.15 1mac s THR 210 CO 0.01 -0.05 1.09 -1.54 -0.69 0.00 0.00 174.62 173.44 1mac n SER 211 N 4.45 0.16 0.00 3.53 3.41 0.85 -1.62 113.62 124.40 1mac n SER 211 Ca -0.14 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1mac n SER 211 Cb 0.42 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1mac n SER 211 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47