#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mka s ASP 2 N 0.00 6.36 0.10 -1.34 1.11 -1.26 -4.94 116.67 116.70 1mka s ASP 2 Ca 0.00 -0.17 -0.31 0.00 0.18 0.00 0.00 52.55 52.26 1mka s ASP 2 Cb 0.00 -2.33 -0.07 0.00 1.07 0.00 0.00 42.92 41.59 1mka s ASP 2 CO 0.00 -0.73 1.32 -0.54 1.18 0.00 0.00 175.17 176.40 1mka s LYS 3 N 2.83 4.36 0.20 8.23 1.02 -1.26 -5.05 119.74 130.06 1mka s LYS 3 Ca 0.24 1.97 0.10 0.00 0.02 0.00 0.00 55.97 58.30 1mka s LYS 3 Cb -0.14 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1mka s LYS 3 CO 0.18 -0.37 -0.17 1.03 -0.92 0.00 0.00 175.35 175.11 1mka s ARG 4 N 1.02 1.79 0.28 1.68 0.52 -1.26 -5.04 118.95 117.94 1mka s ARG 4 Ca 0.62 -1.43 0.24 0.00 -0.52 0.00 0.00 55.73 54.64 1mka s ARG 4 Cb -0.34 -1.98 0.45 0.00 0.52 0.00 0.00 34.95 33.59 1mka s ARG 4 CO 0.30 0.41 1.54 1.49 0.02 0.00 0.00 175.30 179.06 1mka h GLU 5 N 2.95 0.00 -3.93 3.54 4.81 -1.96 -3.45 114.58 116.55 1mka h GLU 5 Ca -0.46 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 1mka h GLU 5 Cb 1.21 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 1mka h GLU 5 CO 0.52 0.00 -0.43 -1.54 -0.73 0.00 0.00 179.01 176.83 1mka s SER 6 N -5.21 0.17 -0.01 1.04 1.04 -1.26 -0.53 113.70 108.93 1mka s SER 6 Ca 0.07 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 1mka s SER 6 Cb 0.09 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1mka s SER 6 CO 0.67 -0.74 0.05 -0.31 0.98 0.00 0.00 173.24 173.89 1mka s TYR 7 N -3.90 -0.00 0.69 5.02 2.02 -0.32 -4.99 117.35 115.86 1mka s TYR 7 Ca 0.09 0.02 -0.04 0.00 -0.37 0.00 0.00 57.07 56.77 1mka s TYR 7 Cb 0.05 -0.02 0.08 0.00 -0.40 0.00 0.00 41.96 41.68 1mka s TYR 7 CO -0.08 -0.07 0.97 0.95 -1.57 0.00 0.00 175.55 175.75 1mka s THR 8 N -0.32 2.32 0.25 -0.71 -4.23 -1.26 -1.47 115.64 110.22 1mka s THR 8 Ca -0.04 -0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1mka s THR 8 Cb -0.02 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.18 1mka s THR 8 CO 0.00 0.00 1.90 0.50 -0.54 0.00 0.00 174.62 176.48 1mka h LYS 9 N -0.49 1.20 -0.82 3.99 1.63 -1.82 -1.52 116.57 118.75 1mka h LYS 9 Ca -0.42 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1mka h LYS 9 Cb 1.29 -0.27 -0.04 0.00 -0.60 0.00 0.00 32.23 32.61 1mka h LYS 9 CO 0.51 0.79 0.50 0.93 -3.45 0.00 0.00 179.45 178.73 1mka h GLU 10 N 1.24 1.10 -0.41 1.90 3.07 -1.94 -0.33 114.58 119.20 1mka h GLU 10 Ca 0.38 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 59.07 1mka h GLU 10 Cb -0.01 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 1mka h GLU 10 CO -0.12 0.76 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.76 1mka h ASP 11 N 1.12 0.76 -0.12 1.42 3.32 -1.68 -0.80 116.42 120.43 1mka h ASP 11 Ca 0.29 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1mka h ASP 11 Cb -0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1mka h ASP 11 CO -0.06 0.91 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.23 1mka h LEU 12 N 0.58 0.40 -0.32 1.55 3.38 -0.48 0.20 115.31 120.62 1mka h LEU 12 Ca 0.11 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 1mka h LEU 12 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1mka h LEU 12 CO 0.03 0.52 -0.75 -0.07 0.09 0.00 0.00 178.44 178.25 1mka h LEU 13 N 0.40 0.64 -0.84 1.67 3.38 -0.93 -2.74 115.31 116.88 1mka h LEU 13 Ca 0.08 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1mka h LEU 13 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1mka h LEU 13 CO 0.02 1.18 0.01 0.00 0.09 0.00 0.00 178.44 179.74 1mka h ALA 14 N 0.81 1.03 -0.63 1.53 0.00 -0.64 -2.72 119.26 118.64 1mka h ALA 14 Ca -0.04 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1mka h ALA 14 Cb 1.35 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1mka h ALA 14 CO 0.14 0.60 0.34 1.03 0.00 0.00 0.00 179.25 181.36 1mka h SER 15 N 0.81 0.50 -0.02 0.00 0.87 -0.82 -0.12 113.55 114.78 1mka h SER 15 Ca 0.16 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1mka h SER 15 Cb 0.47 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1mka h SER 15 CO 0.02 0.33 0.05 1.23 -0.53 0.00 0.00 176.83 177.92 1mka h GLY 16 N 0.63 0.00 -2.06 5.77 0.00 -1.18 0.12 103.07 106.36 1mka h GLY 16 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1mka h GLY 16 CO -0.18 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.90 1mka n ARG 17 N -3.44 2.32 -1.99 4.80 1.74 -0.67 -4.75 116.66 114.67 1mka n ARG 17 Ca -0.02 -2.12 -0.08 0.00 -0.77 0.00 0.00 57.85 54.85 1mka n ARG 17 Cb 0.13 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 1mka n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mka n GLY 18 N 1.33 0.20 0.88 -0.13 0.00 0.43 -4.93 105.19 102.98 1mka n GLY 18 Ca 0.17 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1mka n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mka n GLU 19 N -1.96 2.03 -0.10 1.61 1.02 -0.15 -3.83 120.64 119.26 1mka n GLU 19 Ca -0.10 -1.81 -0.15 0.00 -0.02 0.00 0.00 57.16 55.09 1mka n GLU 19 Cb 0.52 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 1mka n GLU 19 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1mka n LEU 20 N 1.23 1.89 -1.27 -4.62 7.94 -1.24 -4.60 117.00 116.33 1mka n LEU 20 Ca 0.13 0.44 0.12 0.00 -1.11 0.00 0.00 56.01 55.59 1mka n LEU 20 Cb 0.54 -0.84 0.28 0.00 0.53 0.00 0.00 43.42 43.93 1mka n LEU 20 CO 0.14 -0.04 0.75 0.49 -1.11 0.00 0.00 177.39 177.62 1mka n PHE 21 N -4.45 0.78 0.00 1.96 3.72 -1.26 -5.02 117.46 113.18 1mka n PHE 21 Ca -0.25 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 1mka n PHE 21 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1mka n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mka n GLY 22 N 1.60 -0.22 0.25 1.37 0.00 -1.25 -3.87 105.19 103.07 1mka n GLY 22 Ca 0.22 -1.87 0.15 0.00 0.00 0.00 0.00 46.02 44.52 1mka n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mka h ALA 23 N 0.00 1.00 0.00 4.61 0.00 -1.98 -3.08 119.26 119.80 1mka h ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mka h ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mka h ALA 23 CO 0.00 0.00 -1.22 1.63 0.00 0.00 0.00 179.25 179.66 1mka n LYS 24 N -3.04 0.46 -1.78 0.00 4.01 -1.26 -4.96 118.16 111.59 1mka n LYS 24 Ca 0.02 -0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.52 1mka n LYS 24 Cb 0.38 -1.65 0.07 0.00 -0.51 0.00 0.00 35.03 33.32 1mka n LYS 24 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1mka s GLY 25 N -4.06 1.62 0.69 0.72 0.00 -1.17 -0.32 107.32 104.80 1mka s GLY 25 Ca -0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 1mka s GLY 25 CO 0.82 0.04 1.06 2.56 0.00 0.00 0.00 173.10 177.58 1mka s PRO 26 N -5.34 3.02 0.05 2.90 0.04 -1.14 -4.59 135.00 129.94 1mka s PRO 26 Ca 0.60 0.88 0.06 0.00 0.04 0.00 0.00 61.00 62.58 1mka s PRO 26 Cb -0.12 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1mka s PRO 26 CO 0.52 -1.02 -0.12 -0.65 0.04 0.00 0.00 177.00 175.76 1mka s GLN 27 N -5.09 2.21 0.47 4.56 -0.21 -1.26 -4.80 119.66 115.54 1mka s GLN 27 Ca 0.58 -0.93 -0.06 0.00 0.02 0.00 0.00 55.36 54.96 1mka s GLN 27 Cb -0.13 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 1mka s GLN 27 CO 0.55 0.54 0.79 -0.51 -2.12 0.00 0.00 175.29 174.54 1mka s LEU 28 N -1.70 3.65 0.84 2.90 1.43 -1.24 -4.78 118.68 119.77 1mka s LEU 28 Ca 0.18 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.15 1mka s LEU 28 Cb -0.11 -3.93 0.10 0.00 0.03 0.00 0.00 46.19 42.28 1mka s LEU 28 CO 0.09 -0.56 1.10 -2.84 0.23 0.00 0.00 176.35 174.37 1mka s PRO 29 N -4.59 1.69 0.40 1.29 0.02 -1.26 -3.98 135.00 128.57 1mka s PRO 29 Ca 0.48 1.16 0.08 0.00 0.02 0.00 0.00 61.00 62.74 1mka s PRO 29 Cb -0.10 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 1mka s PRO 29 CO 0.43 -2.04 0.47 0.00 -0.33 0.00 0.00 177.00 175.52 1mka s ALA 30 N -2.85 4.27 0.57 -1.55 0.00 -1.26 -4.14 121.76 116.81 1mka s ALA 30 Ca 0.63 -1.70 -0.21 0.00 0.00 0.00 0.00 51.96 50.68 1mka s ALA 30 Cb -0.19 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1mka s ALA 30 CO 0.57 -0.19 1.33 -2.14 0.00 0.00 0.00 175.76 175.32 1mka s PRO 31 N -4.22 3.01 -0.15 0.00 0.02 -1.26 -0.07 135.00 132.33 1mka s PRO 31 Ca 0.50 2.15 0.08 0.00 0.02 0.00 0.00 61.00 63.75 1mka s PRO 31 Cb -0.07 -2.14 0.49 0.00 0.02 0.00 0.00 34.50 32.80 1mka s PRO 31 CO 0.30 -1.27 1.26 0.09 -0.33 0.00 0.00 177.00 177.06 1mka n ASN 32 N -1.26 3.86 0.04 2.53 3.02 -1.26 -4.85 115.26 117.34 1mka n ASN 32 Ca 0.12 -2.57 0.11 0.00 -0.03 0.00 0.00 54.58 52.21 1mka n ASN 32 Cb 0.46 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1mka n ASN 32 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1mka n MET 33 N 0.36 0.37 -1.88 3.52 2.81 0.89 -4.88 117.12 118.33 1mka n MET 33 Ca 0.17 0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.65 1mka n MET 33 Cb 0.83 -1.64 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 1mka n MET 33 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1mka s LEU 34 N -4.26 4.37 -0.20 4.03 2.96 -0.82 -4.86 118.68 119.91 1mka s LEU 34 Ca 0.02 2.48 0.16 0.00 -0.22 0.00 0.00 54.13 56.57 1mka s LEU 34 Cb 0.13 -3.55 0.57 0.00 0.50 0.00 0.00 46.19 43.85 1mka s LEU 34 CO 0.80 -0.94 1.48 0.23 -1.32 0.00 0.00 176.35 176.60 1mka n MET 35 N 6.47 3.10 -3.86 1.98 2.81 -1.26 -4.86 117.12 121.50 1mka n MET 35 Ca 0.17 -2.92 -0.11 0.00 -1.81 0.00 0.00 57.70 53.03 1mka n MET 35 Cb 0.41 -1.91 -0.09 0.00 -0.71 0.00 0.00 33.22 30.92 1mka n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mka s MET 36 N -2.87 0.58 -0.13 0.03 0.23 -1.26 -4.74 119.30 111.15 1mka s MET 36 Ca 0.44 -0.49 0.19 0.00 -1.03 0.00 0.00 55.69 54.80 1mka s MET 36 Cb 0.36 0.24 -0.27 0.00 -1.53 0.00 0.00 34.83 33.63 1mka s MET 36 CO 0.09 -0.15 0.26 -0.25 -2.03 0.00 0.00 175.02 172.94 1mka n ASP 37 N 1.11 0.06 -3.48 -1.18 8.00 0.31 -4.96 116.55 116.41 1mka n ASP 37 Ca -0.21 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.20 1mka n ASP 37 Cb 0.57 1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 42.91 1mka n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mka s ARG 38 N -2.86 1.03 -0.32 -1.24 1.70 -1.13 -2.08 118.95 114.05 1mka s ARG 38 Ca -0.09 -0.24 -0.06 0.00 -0.47 0.00 0.00 55.73 54.88 1mka s ARG 38 Cb 0.09 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 34.98 1mka s ARG 38 CO 0.86 -0.42 0.08 0.08 -1.08 0.00 0.00 175.30 174.81 1mka s VAL 39 N -2.87 3.71 -0.26 4.99 1.01 -0.54 -1.35 120.40 125.09 1mka s VAL 39 Ca -0.00 -1.02 0.19 0.00 0.00 0.00 0.00 61.98 61.14 1mka s VAL 39 Cb -0.01 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.46 1mka s VAL 39 CO -0.06 -0.08 1.39 -0.37 0.00 0.00 0.00 175.10 175.98 1mka h VAL 40 N 6.11 0.44 -2.00 2.92 -1.51 -1.39 -0.85 116.25 119.98 1mka h VAL 40 Ca -0.26 -1.65 -0.02 0.00 -1.23 0.00 0.00 66.70 63.55 1mka h VAL 40 Cb 1.09 2.14 -0.21 0.00 -2.13 0.00 0.00 31.29 32.18 1mka h VAL 40 CO 0.60 0.25 0.09 -0.75 -1.23 0.00 0.00 177.57 176.53 1mka s LYS 41 N -3.08 0.79 -0.05 5.19 2.20 -1.03 -4.62 119.74 119.14 1mka s LYS 41 Ca 0.04 1.08 -0.02 0.00 -0.36 0.00 0.00 55.97 56.71 1mka s LYS 41 Cb 0.07 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.73 1mka s LYS 41 CO 0.73 -0.12 0.08 -1.64 -0.36 0.00 0.00 175.35 174.04 1mka s MET 42 N 0.86 -0.06 0.05 4.03 -1.94 0.31 -1.24 119.30 121.31 1mka s MET 42 Ca -0.04 0.41 0.02 0.00 -1.71 0.00 0.00 55.69 54.38 1mka s MET 42 Cb -0.05 -0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.31 1mka s MET 42 CO -0.07 -0.32 -0.08 0.95 -0.01 0.00 0.00 175.02 175.49 1mka s THR 43 N 2.17 0.59 -0.10 2.05 -4.23 -0.20 -4.61 115.64 111.31 1mka s THR 43 Ca 0.04 -1.14 0.15 0.00 -1.18 0.00 0.00 61.69 59.56 1mka s THR 43 Cb -0.12 -0.70 0.04 0.00 1.34 0.00 0.00 72.50 73.06 1mka s THR 43 CO -0.04 -0.40 1.45 -0.33 -0.54 0.00 0.00 174.62 174.77 1mka h GLU 44 N 4.40 0.00 0.00 3.99 5.08 -1.92 -1.55 114.58 124.58 1mka h GLU 44 Ca -0.36 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.83 1mka h GLU 44 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1mka h GLU 44 CO 0.42 0.54 -0.10 0.25 -1.00 0.00 0.00 179.01 179.12 1mka n THR 45 N -3.26 0.00 -1.39 1.13 -2.24 -1.26 -2.64 114.28 104.62 1mka n THR 45 Ca 0.02 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1mka n THR 45 Cb 0.74 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1mka n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mka n GLY 46 N 3.19 -2.44 0.00 3.38 0.00 -1.26 -3.58 105.19 104.49 1mka n GLY 46 Ca -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1mka n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mka n GLY 47 N -0.39 -1.60 0.26 -0.02 0.00 -1.26 -1.75 105.19 100.44 1mka n GLY 47 Ca 0.00 -1.55 0.18 0.00 0.00 0.00 0.00 46.02 44.65 1mka n GLY 47 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1mka h ASN 48 N 0.00 0.00 -0.09 1.61 2.35 -1.90 -2.07 115.58 115.48 1mka h ASN 48 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1mka h ASN 48 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1mka h ASN 48 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1mka n PHE 49 N -2.73 0.12 -2.46 1.19 3.72 -1.26 -4.98 117.46 111.05 1mka n PHE 49 Ca -0.02 -0.44 -0.17 0.00 -0.05 0.00 0.00 57.45 56.78 1mka n PHE 49 Cb 0.06 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 1mka n PHE 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1mka n ASP 50 N -0.15 -4.87 -0.08 4.37 2.03 -0.78 -4.86 116.55 112.22 1mka n ASP 50 Ca 0.03 0.07 0.04 0.00 0.52 0.00 0.00 54.79 55.46 1mka n ASP 50 Cb 0.27 -4.08 0.06 0.00 -0.72 0.00 0.00 41.12 36.65 1mka n ASP 50 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1mka n LYS 51 N -2.96 1.73 0.00 -0.67 5.02 -0.87 -3.99 118.16 116.42 1mka n LYS 51 Ca -0.19 -1.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 1mka n LYS 51 Cb 0.64 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1mka n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mka n GLY 52 N -0.83 4.51 3.23 0.72 0.00 -0.72 -4.70 105.19 107.40 1mka n GLY 52 Ca 0.07 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1mka n GLY 52 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mka s TYR 53 N -1.45 -0.32 -0.03 1.61 5.04 -0.58 -1.88 117.35 119.74 1mka s TYR 53 Ca 0.00 0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 55.37 1mka s TYR 53 Cb 0.00 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.46 1mka s TYR 53 CO 0.00 -0.23 0.06 0.08 -1.34 0.00 0.00 175.55 174.12 1mka s VAL 54 N -0.18 -0.05 -0.07 3.14 1.01 -0.80 -1.03 120.40 122.42 1mka s VAL 54 Ca -0.03 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1mka s VAL 54 Cb -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1mka s VAL 54 CO 0.01 0.07 -0.15 -0.70 0.00 0.00 0.00 175.10 174.34 1mka s GLU 55 N 0.95 1.92 0.17 2.72 2.12 -0.37 -0.35 118.70 125.85 1mka s GLU 55 Ca -0.08 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1mka s GLU 55 Cb -0.11 -1.56 -0.04 0.00 0.26 0.00 0.00 34.13 32.67 1mka s GLU 55 CO -0.03 0.09 0.04 0.00 -0.54 0.00 0.00 175.26 174.82 1mka s ALA 56 N 0.51 1.18 0.03 6.30 0.00 -0.30 -1.11 121.76 128.37 1mka s ALA 56 Ca -0.14 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.25 1mka s ALA 56 Cb -0.15 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1mka s ALA 56 CO 0.04 -0.42 -0.05 -1.21 0.00 0.00 0.00 175.76 174.12 1mka s GLU 57 N -4.00 0.44 -0.10 0.00 2.02 -0.46 -0.75 118.70 115.85 1mka s GLU 57 Ca 0.27 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.51 1mka s GLU 57 Cb 0.07 -0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.29 1mka s GLU 57 CO 0.05 -0.02 -0.10 -1.17 0.02 0.00 0.00 175.26 174.04 1mka s LEU 58 N -1.73 1.39 0.10 1.80 2.96 -0.07 -0.53 118.68 122.61 1mka s LEU 58 Ca -0.10 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 1mka s LEU 58 Cb -0.07 -0.87 -0.06 0.00 0.50 0.00 0.00 46.19 45.69 1mka s LEU 58 CO -0.02 -0.06 0.94 -1.81 -1.32 0.00 0.00 176.35 174.09 1mka s ASP 59 N 1.32 7.47 -0.12 3.68 1.01 -1.26 -0.81 116.67 127.95 1mka s ASP 59 Ca -0.02 1.76 -0.05 0.00 0.71 0.00 0.00 52.55 54.95 1mka s ASP 59 Cb -0.14 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1mka s ASP 59 CO -0.04 -0.06 0.07 -0.63 0.21 0.00 0.00 175.17 174.72 1mka s ILE 60 N -0.01 4.87 -0.01 0.77 -1.09 -0.26 -4.95 121.20 120.52 1mka s ILE 60 Ca 0.46 -0.03 -0.12 0.00 -2.23 0.00 0.00 60.65 58.73 1mka s ILE 60 Cb -0.23 -3.11 0.02 0.00 -1.58 0.00 0.00 42.46 37.55 1mka s ILE 60 CO 0.29 0.58 0.26 0.54 -1.23 0.00 0.00 174.94 175.38 1mka s ASN 61 N -0.66 -0.13 0.59 3.58 2.20 -1.26 -4.62 114.94 114.63 1mka s ASN 61 Ca 0.12 0.00 0.35 0.00 -0.94 0.00 0.00 52.86 52.39 1mka s ASN 61 Cb -0.12 0.28 1.91 0.00 -2.00 0.00 0.00 41.25 41.33 1mka s ASN 61 CO 0.02 -0.42 2.07 -0.65 -2.94 0.00 0.00 177.10 175.19 1mka h PRO 62 N 4.02 0.00 -0.01 3.55 0.11 -1.92 -2.94 132.00 134.82 1mka h PRO 62 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1mka h PRO 62 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1mka h PRO 62 CO 0.40 0.00 -0.20 -0.25 -0.21 0.00 0.00 178.00 177.74 1mka n ASP 63 N -2.82 0.82 -4.67 -2.05 8.00 -1.26 -4.85 116.55 109.71 1mka n ASP 63 Ca -0.02 -0.77 -0.45 0.00 0.71 0.00 0.00 54.79 54.26 1mka n ASP 63 Cb 0.16 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1mka n ASP 63 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1mka n LEU 64 N -0.76 3.13 -0.30 0.64 4.77 -1.11 -4.86 117.00 118.51 1mka n LEU 64 Ca 0.13 1.14 0.13 0.00 -0.03 0.00 0.00 56.01 57.38 1mka n LEU 64 Cb 0.32 -1.43 0.29 0.00 -2.33 0.00 0.00 43.42 40.27 1mka n LEU 64 CO 0.25 -0.47 0.91 4.11 -1.33 0.00 0.00 177.39 180.86 1mka h TRP 65 N 4.26 0.26 0.00 -1.77 5.08 -1.93 -2.25 115.95 119.60 1mka h TRP 65 Ca -0.45 0.05 -0.01 0.00 1.08 0.00 0.00 58.89 59.56 1mka h TRP 65 Cb 1.27 0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.46 1mka h TRP 65 CO 0.57 -0.26 -0.05 0.27 -1.28 0.00 0.00 178.44 177.69 1mka h PHE 66 N 0.16 0.00 0.00 0.12 -5.15 -1.98 -2.28 116.94 107.81 1mka h PHE 66 Ca 0.55 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 58.26 1mka h PHE 66 Cb 1.13 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.29 1mka h PHE 66 CO -0.31 0.05 -0.29 0.74 -2.00 0.00 0.00 178.31 176.50 1mka h PHE 67 N 0.00 0.00 0.00 6.09 0.04 -1.68 -1.70 116.94 119.69 1mka h PHE 67 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1mka h PHE 67 Cb 0.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1mka h PHE 67 CO 0.00 0.29 -0.02 0.78 -0.60 0.00 0.00 178.31 178.76 1mka h GLY 68 N 1.64 0.00 0.00 -1.45 0.00 -1.56 -3.36 103.07 98.34 1mka h GLY 68 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mka h GLY 68 CO 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.39 1mka s HIS 70 N -1.12 2.66 0.41 0.00 5.65 -0.65 -4.02 115.29 118.23 1mka s HIS 70 Ca 0.00 -2.95 0.07 0.00 0.25 0.00 0.00 55.06 52.43 1mka s HIS 70 Cb 0.00 -2.08 -0.07 0.00 -1.18 0.00 0.00 32.58 29.25 1mka s HIS 70 CO 0.00 -0.66 0.08 -0.06 -0.65 0.00 0.00 174.74 173.45 1mka s PHE 71 N -0.83 2.53 -0.18 3.88 0.40 0.02 -1.09 117.98 122.71 1mka s PHE 71 Ca 0.27 -0.65 -0.29 0.00 -0.60 0.00 0.00 56.93 55.66 1mka s PHE 71 Cb -0.04 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1mka s PHE 71 CO -0.16 0.34 1.71 0.42 0.70 0.00 0.00 175.22 178.22 1mka s ILE 72 N -2.67 3.56 0.00 0.64 1.01 -1.26 -1.59 121.20 120.89 1mka s ILE 72 Ca 0.37 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1mka s ILE 72 Cb 0.07 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1mka s ILE 72 CO 0.19 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1mka n GLY 73 N 4.70 0.72 2.67 6.18 0.00 -1.26 -4.89 105.19 113.30 1mka n GLY 73 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1mka n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mka n ASP 74 N 0.00 -2.23 -4.71 1.61 2.03 -0.62 -5.14 116.55 107.49 1mka n ASP 74 Ca 0.00 -3.40 -0.42 0.00 0.52 0.00 0.00 54.79 51.49 1mka n ASP 74 Cb 0.00 1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 41.91 1mka n ASP 74 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1mka s PRO 75 N 0.20 4.21 -0.28 -0.67 0.04 -1.15 -0.80 135.00 136.55 1mka s PRO 75 Ca 0.29 2.35 -0.14 0.00 0.04 0.00 0.00 61.00 63.54 1mka s PRO 75 Cb 0.26 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 31.62 1mka s PRO 75 CO -0.15 -0.64 0.67 0.54 0.04 0.00 0.00 177.00 177.46 1mka s VAL 76 N 1.50 -0.20 0.19 -0.36 0.11 -0.25 -4.59 120.40 116.79 1mka s VAL 76 Ca 0.71 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 59.44 1mka s VAL 76 Cb -0.43 -0.98 -0.12 0.00 -1.53 0.00 0.00 36.38 33.31 1mka s VAL 76 CO 0.31 0.00 1.69 0.80 -3.33 0.00 0.00 175.10 174.58 1mka n MET 77 N 4.55 2.61 -1.72 1.54 1.56 -0.49 -4.57 117.12 120.61 1mka n MET 77 Ca -0.18 0.94 -0.43 0.00 -0.27 0.00 0.00 57.70 57.76 1mka n MET 77 Cb 0.57 -2.77 -0.02 0.00 2.15 0.00 0.00 33.22 33.14 1mka n MET 77 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1mka n PRO 78 N 3.96 2.50 -0.06 2.12 -0.02 -1.26 -4.71 135.00 137.53 1mka n PRO 78 Ca 0.16 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.53 1mka n PRO 78 Cb 0.33 -2.66 0.26 0.00 -0.02 0.00 0.00 33.50 31.41 1mka n PRO 78 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1mka h GLY 79 N 5.10 0.72 1.34 -1.23 0.00 -1.99 -2.55 103.07 104.46 1mka h GLY 79 Ca -0.46 -0.41 0.07 0.00 0.00 0.00 0.00 47.33 46.54 1mka h GLY 79 CO 0.82 0.38 0.28 0.00 0.00 0.00 0.00 176.54 178.02 1mka h LEU 81 N 0.23 0.37 -0.49 0.00 3.38 -1.83 -0.29 115.31 116.67 1mka h LEU 81 Ca 0.18 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1mka h LEU 81 Cb 0.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1mka h LEU 81 CO -0.03 0.99 -0.40 1.23 0.09 0.00 0.00 178.44 180.32 1mka h GLY 82 N 1.49 0.87 0.99 0.83 0.00 -1.35 -1.80 103.07 104.10 1mka h GLY 82 Ca -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 47.33 46.38 1mka h GLY 82 CO 0.12 0.80 0.28 -2.00 0.00 0.00 0.00 176.54 175.74 1mka h LEU 83 N 0.65 0.81 -1.07 3.11 5.85 -1.20 -2.48 115.31 120.98 1mka h LEU 83 Ca 0.05 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1mka h LEU 83 Cb 0.96 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1mka h LEU 83 CO 0.09 0.73 0.05 -0.78 -0.34 0.00 0.00 178.44 178.18 1mka h ASP 84 N 0.84 0.67 -0.99 1.25 3.58 -0.79 -2.13 116.42 118.84 1mka h ASP 84 Ca 0.21 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.60 1mka h ASP 84 Cb 0.14 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 40.95 1mka h ASP 84 CO -0.02 0.71 0.64 0.00 -2.88 0.00 0.00 179.24 177.68 1mka h ALA 85 N 1.38 1.44 -0.56 -0.78 0.00 -0.89 0.20 119.26 120.06 1mka h ALA 85 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1mka h ALA 85 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1mka h ALA 85 CO 0.01 0.40 0.03 0.52 0.00 0.00 0.00 179.25 180.21 1mka h MET 86 N 1.13 0.96 -0.55 0.00 2.86 -1.09 -0.16 114.93 118.07 1mka h MET 86 Ca 0.43 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1mka h MET 86 Cb 0.21 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1mka h MET 86 CO -0.18 0.95 0.03 -1.49 1.06 0.00 0.00 176.91 177.28 1mka h TRP 87 N 0.84 1.04 -0.58 -0.22 6.55 -1.00 -2.09 115.95 120.49 1mka h TRP 87 Ca 0.16 -0.17 0.04 0.00 0.95 0.00 0.00 58.89 59.87 1mka h TRP 87 Cb 0.49 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 28.48 1mka h TRP 87 CO 0.04 0.93 0.34 1.96 -1.05 0.00 0.00 178.44 180.66 1mka h GLN 88 N 0.84 0.64 -0.52 0.49 4.20 -0.30 -1.28 115.11 119.17 1mka h GLN 88 Ca 0.16 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1mka h GLN 88 Cb 0.50 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1mka h GLN 88 CO 0.02 0.42 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.46 1mka h LEU 89 N 0.66 0.94 -0.21 1.46 3.38 -0.82 0.33 115.31 121.06 1mka h LEU 89 Ca 0.25 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1mka h LEU 89 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1mka h LEU 89 CO -0.13 1.04 0.10 0.58 0.09 0.00 0.00 178.44 180.12 1mka h VAL 90 N 0.86 1.14 -0.65 1.22 2.07 -1.06 -1.17 116.25 118.65 1mka h VAL 90 Ca 0.14 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1mka h VAL 90 Cb 0.61 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1mka h VAL 90 CO 0.04 0.13 0.14 1.23 0.02 0.00 0.00 177.57 179.13 1mka h GLY 91 N 0.20 1.12 1.00 2.17 0.00 -1.09 -2.43 103.07 104.04 1mka h GLY 91 Ca 0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1mka h GLY 91 CO -0.01 0.66 0.39 -2.75 0.00 0.00 0.00 176.54 174.83 1mka h PHE 92 N 0.99 0.85 -0.50 5.60 3.57 -0.71 -2.55 116.94 124.20 1mka h PHE 92 Ca 0.20 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1mka h PHE 92 Cb 0.38 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1mka h PHE 92 CO 0.03 0.58 0.33 -0.92 -2.23 0.00 0.00 178.31 176.10 1mka h TYR 93 N 0.88 0.63 -1.00 0.41 3.20 -0.96 0.49 116.97 120.63 1mka h TYR 93 Ca 0.23 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.19 1mka h TYR 93 Cb -0.02 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 37.96 1mka h TYR 93 CO -0.02 0.40 0.65 -0.07 -1.64 0.00 0.00 178.16 177.48 1mka h LEU 94 N 0.68 1.03 -0.64 2.82 3.38 -1.20 0.18 115.31 121.55 1mka h LEU 94 Ca 0.18 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 1mka h LEU 94 Cb -0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1mka h LEU 94 CO -0.04 0.65 -0.51 1.23 0.09 0.00 0.00 178.44 179.86 1mka h GLY 95 N 1.16 0.48 1.48 0.83 0.00 -0.98 0.36 103.07 106.40 1mka h GLY 95 Ca 0.43 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1mka h GLY 95 CO -0.18 0.48 0.11 -0.25 0.00 0.00 0.00 176.54 176.71 1mka h TRP 96 N 0.35 0.67 0.00 5.60 7.01 0.54 -0.44 115.95 129.68 1mka h TRP 96 Ca 0.01 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1mka h TRP 96 Cb 1.02 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.87 1mka h TRP 96 CO 0.03 0.57 0.00 1.28 -2.79 0.00 0.00 178.44 177.53 1mka n LEU 97 N -4.32 0.00 0.00 0.65 4.77 -0.09 -4.78 117.00 113.23 1mka n LEU 97 Ca 0.03 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1mka n LEU 97 Cb 0.20 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1mka n LEU 97 CO 0.39 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1mka n GLY 98 N 0.65 0.91 3.77 -0.72 0.00 -0.18 -4.95 105.19 104.67 1mka n GLY 98 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1mka n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mka s GLY 99 N -1.86 2.92 -0.02 -0.02 0.00 0.09 -4.96 107.32 103.49 1mka s GLY 99 Ca 0.00 1.14 0.06 0.00 0.00 0.00 0.00 44.72 45.92 1mka s GLY 99 CO 0.00 1.72 -0.18 -0.54 0.00 0.00 0.00 173.10 174.10 1mka s GLU 100 N -2.17 2.29 0.00 2.90 2.02 -1.26 -4.41 118.70 118.07 1mka s GLU 100 Ca 0.55 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1mka s GLU 100 Cb -0.36 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1mka s GLU 100 CO 0.46 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.74 1mka n GLY 101 N 2.10 3.18 3.72 -1.39 0.00 0.56 -4.56 105.19 108.81 1mka n GLY 101 Ca -0.17 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1mka n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mka s LYS 102 N -2.09 4.61 0.19 1.61 1.02 0.10 -2.86 119.74 122.31 1mka s LYS 102 Ca 0.00 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.22 1mka s LYS 102 Cb 0.00 -3.38 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 1mka s LYS 102 CO 0.00 0.06 1.00 0.20 -0.92 0.00 0.00 175.35 175.69 1mka s GLY 103 N 0.41 3.02 -0.10 -3.33 0.00 -1.26 0.03 107.32 106.09 1mka s GLY 103 Ca 0.50 0.68 -0.04 0.00 0.00 0.00 0.00 44.72 45.87 1mka s GLY 103 CO 0.30 1.41 0.19 0.50 0.00 0.00 0.00 173.10 175.50 1mka s ARG 104 N -0.67 0.09 0.25 2.90 1.81 -0.75 -4.96 118.95 117.62 1mka s ARG 104 Ca 0.45 0.58 -0.30 0.00 -1.72 0.00 0.00 55.73 54.74 1mka s ARG 104 Cb -0.27 -0.18 -0.09 0.00 -0.45 0.00 0.00 34.95 33.96 1mka s ARG 104 CO 0.33 -0.27 1.28 0.00 -0.68 0.00 0.00 175.30 175.97 1mka s ALA 105 N 2.05 3.50 -0.07 2.13 0.00 -1.26 -1.96 121.76 126.16 1mka s ALA 105 Ca -0.01 1.13 0.18 0.00 0.00 0.00 0.00 51.96 53.26 1mka s ALA 105 Cb -0.12 -3.46 -0.27 0.00 0.00 0.00 0.00 23.12 19.27 1mka s ALA 105 CO -0.07 -0.52 0.31 1.28 0.00 0.00 0.00 175.76 176.77 1mka n LEU 106 N 1.93 0.00 0.00 0.00 4.77 0.23 -4.93 117.00 119.01 1mka n LEU 106 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1mka n LEU 106 Cb 0.43 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1mka n LEU 106 CO 0.58 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1mka n GLY 107 N 1.57 -0.48 3.54 -0.72 0.00 -1.09 -4.97 105.19 103.04 1mka n GLY 107 Ca -0.10 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 1mka n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mka s VAL 108 N -2.72 0.00 0.00 1.61 0.11 -1.26 -1.14 120.40 117.00 1mka s VAL 108 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1mka s VAL 108 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1mka s VAL 108 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1mka n GLY 109 N 1.02 1.10 3.72 6.54 0.00 0.24 -4.97 105.19 112.84 1mka n GLY 109 Ca -0.17 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1mka n GLY 109 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mka n GLU 110 N 0.00 2.43 -4.79 1.61 2.13 -1.25 -4.62 120.64 116.15 1mka n GLU 110 Ca 0.00 0.86 -0.26 0.00 0.66 0.00 0.00 57.16 58.42 1mka n GLU 110 Cb 0.00 -2.57 -0.16 0.00 0.27 0.00 0.00 31.44 28.97 1mka n GLU 110 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1mka s VAL 111 N -0.30 1.40 -0.08 6.31 1.01 -1.26 -0.60 120.40 126.88 1mka s VAL 111 Ca 0.63 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1mka s VAL 111 Cb -0.55 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1mka s VAL 111 CO 0.52 0.41 -0.08 -0.54 0.00 0.00 0.00 175.10 175.41 1mka s LYS 112 N 0.34 1.41 -0.29 2.72 1.02 -0.24 -5.00 119.74 119.70 1mka s LYS 112 Ca -0.11 -0.27 -0.07 0.00 0.02 0.00 0.00 55.97 55.55 1mka s LYS 112 Cb -0.14 -1.33 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1mka s LYS 112 CO 0.04 -0.11 0.08 -0.06 -0.92 0.00 0.00 175.35 174.38 1mka s PHE 113 N 1.13 3.15 -0.62 3.18 0.08 -1.26 -1.61 117.98 122.03 1mka s PHE 113 Ca -0.06 -0.97 0.08 0.00 0.12 0.00 0.00 56.93 56.10 1mka s PHE 113 Cb -0.14 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 1mka s PHE 113 CO -0.01 -0.57 0.49 0.25 -0.10 0.00 0.00 175.22 175.27 1mka n THR 114 N 4.87 0.00 -4.01 0.64 -2.24 0.16 -5.01 114.28 108.69 1mka n THR 114 Ca -0.15 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1mka n THR 114 Cb 0.48 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 1mka n THR 114 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mka s GLY 115 N -1.32 1.11 0.21 3.38 0.00 -1.16 -5.01 107.32 104.52 1mka s GLY 115 Ca 0.06 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.57 1mka s GLY 115 CO 0.23 -0.78 -0.07 -0.86 0.00 0.00 0.00 173.10 171.62 1mka s GLN 116 N -2.95 1.31 -0.34 2.90 -2.07 -1.26 -4.84 119.66 112.41 1mka s GLN 116 Ca 0.26 -1.62 -0.07 0.00 -1.82 0.00 0.00 55.36 52.10 1mka s GLN 116 Cb -0.02 -0.84 0.03 0.00 -1.09 0.00 0.00 33.01 31.10 1mka s GLN 116 CO 0.17 0.04 0.12 0.08 -1.32 0.00 0.00 175.29 174.38 1mka s VAL 117 N -3.21 3.97 0.34 3.63 1.01 -1.26 -5.00 120.40 119.88 1mka s VAL 117 Ca 0.24 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1mka s VAL 117 Cb 0.03 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1mka s VAL 117 CO 0.07 -0.16 0.53 -0.76 0.00 0.00 0.00 175.10 174.78 1mka s LEU 118 N 1.45 4.01 0.00 3.92 1.43 -1.26 -1.39 118.68 126.84 1mka s LEU 118 Ca -0.00 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1mka s LEU 118 Cb -0.19 -3.17 0.22 0.00 0.03 0.00 0.00 46.19 43.08 1mka s LEU 118 CO 0.04 -0.32 1.13 -0.81 0.23 0.00 0.00 176.35 176.62 1mka n PRO 119 N -1.75 0.01 0.00 1.29 -0.04 -1.26 -1.23 135.00 132.02 1mka n PRO 119 Ca -0.04 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1mka n PRO 119 Cb 0.57 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.77 1mka n PRO 119 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1mka n THR 120 N -1.46 0.00 -1.17 0.52 -2.24 -1.26 -3.55 114.28 105.11 1mka n THR 120 Ca 0.01 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 1mka n THR 120 Cb 0.06 0.29 0.16 0.00 -2.10 0.00 0.00 70.33 68.73 1mka n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mka s ALA 121 N -2.98 1.19 -0.03 6.98 0.00 -0.36 -5.01 121.76 121.55 1mka s ALA 121 Ca 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1mka s ALA 121 Cb 0.18 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1mka s ALA 121 CO 0.70 -2.65 -0.02 1.63 0.00 0.00 0.00 175.76 175.42 1mka n LYS 122 N -4.07 1.33 -3.74 0.00 5.02 -1.26 -4.57 118.16 110.87 1mka n LYS 122 Ca 0.06 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1mka n LYS 122 Cb 0.56 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 34.38 1mka n LYS 122 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1mka s LYS 123 N -2.07 0.27 -0.15 1.97 2.20 -1.26 -1.11 119.74 119.60 1mka s LYS 123 Ca -0.03 0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 1mka s LYS 123 Cb 0.01 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1mka s LYS 123 CO 0.09 -0.12 0.02 0.08 -0.36 0.00 0.00 175.35 175.06 1mka s VAL 124 N 0.88 4.44 -0.09 4.02 1.01 0.01 -1.03 120.40 129.63 1mka s VAL 124 Ca -0.06 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1mka s VAL 124 Cb -0.07 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1mka s VAL 124 CO -0.06 0.51 -0.15 -0.89 0.00 0.00 0.00 175.10 174.51 1mka s THR 125 N 0.01 2.92 -0.12 3.92 2.01 0.81 -0.89 115.64 124.30 1mka s THR 125 Ca 0.04 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1mka s THR 125 Cb -0.13 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1mka s THR 125 CO 0.02 0.56 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.06 1mka s TYR 126 N -0.12 2.79 -0.09 4.92 2.02 0.07 -0.93 117.35 126.02 1mka s TYR 126 Ca -0.02 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1mka s TYR 126 Cb -0.14 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1mka s TYR 126 CO 0.04 -0.14 -0.12 1.03 -1.57 0.00 0.00 175.55 174.79 1mka s ARG 127 N 0.17 1.76 -0.15 -0.62 0.52 -0.33 -1.15 118.95 119.14 1mka s ARG 127 Ca -0.07 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1mka s ARG 127 Cb -0.15 -1.55 -0.00 0.00 0.52 0.00 0.00 34.95 33.77 1mka s ARG 127 CO 0.05 -0.07 -0.17 0.42 0.02 0.00 0.00 175.30 175.56 1mka s ILE 128 N 1.00 2.58 -0.35 1.52 -1.09 0.52 -1.13 121.20 124.26 1mka s ILE 128 Ca -0.08 -0.80 -0.03 0.00 -2.23 0.00 0.00 60.65 57.51 1mka s ILE 128 Cb -0.15 -2.08 0.07 0.00 -1.58 0.00 0.00 42.46 38.73 1mka s ILE 128 CO -0.00 0.52 0.09 -1.00 -1.23 0.00 0.00 174.94 173.32 1mka s HIS 129 N 0.72 3.40 0.23 3.97 3.76 -0.36 -1.91 115.29 125.10 1mka s HIS 129 Ca -0.07 -2.05 -0.30 0.00 -0.15 0.00 0.00 55.06 52.49 1mka s HIS 129 Cb -0.16 -2.57 -0.09 0.00 1.11 0.00 0.00 32.58 30.88 1mka s HIS 129 CO 0.01 -0.86 1.16 -0.06 -0.85 0.00 0.00 174.74 174.14 1mka s PHE 130 N 1.22 3.46 -0.03 1.40 0.40 -0.79 -1.35 117.98 122.29 1mka s PHE 130 Ca 0.01 1.54 0.07 0.00 -0.60 0.00 0.00 56.93 57.94 1mka s PHE 130 Cb -0.21 -3.39 -0.10 0.00 0.51 0.00 0.00 43.02 39.84 1mka s PHE 130 CO -0.02 -0.98 0.11 0.36 0.70 0.00 0.00 175.22 175.39 1mka n LYS 131 N 1.86 1.20 -3.63 0.44 2.85 -0.35 -4.25 118.16 116.27 1mka n LYS 131 Ca 0.02 -0.04 -0.12 0.00 -1.05 0.00 0.00 58.31 57.11 1mka n LYS 131 Cb 0.45 -1.16 -0.07 0.00 -0.65 0.00 0.00 35.03 33.59 1mka n LYS 131 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1mka s ARG 132 N -2.36 0.72 -0.03 -1.58 3.52 -0.94 -5.01 118.95 113.27 1mka s ARG 132 Ca -0.03 0.86 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 1mka s ARG 132 Cb 0.04 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.80 1mka s ARG 132 CO 0.28 -0.09 -0.04 0.42 -0.81 0.00 0.00 175.30 175.06 1mka s ILE 133 N 0.32 0.46 -0.24 4.11 1.01 -1.26 -0.66 121.20 124.94 1mka s ILE 133 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1mka s ILE 133 Cb -0.05 -0.48 0.03 0.00 0.01 0.00 0.00 42.46 41.97 1mka s ILE 133 CO -0.01 0.19 -0.10 -0.69 0.00 0.00 0.00 174.94 174.33 1mka s VAL 134 N 0.72 2.51 -0.29 2.92 1.01 0.37 -4.99 120.40 122.65 1mka s VAL 134 Ca -0.09 -1.18 0.12 0.00 0.00 0.00 0.00 61.98 60.83 1mka s VAL 134 Cb -0.12 -2.29 0.47 0.00 0.00 0.00 0.00 36.38 34.44 1mka s VAL 134 CO -0.00 0.20 1.16 -3.20 0.00 0.00 0.00 175.10 173.26 1mka n ASN 135 N 4.59 3.87 0.00 3.32 4.05 -1.24 -0.19 115.26 129.67 1mka n ASN 135 Ca -0.17 -3.22 0.00 0.00 0.45 0.00 0.00 54.58 51.65 1mka n ASN 135 Cb 0.46 -0.39 0.00 0.00 1.23 0.00 0.00 39.78 41.08 1mka n ASN 135 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1mka n ARG 136 N -0.66 0.88 -0.26 1.20 1.85 -1.26 -4.90 116.66 113.52 1mka n ARG 136 Ca 0.32 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 57.12 1mka n ARG 136 Cb 0.91 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.41 1mka n ARG 136 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1mka h ARG 137 N 0.00 1.12 -5.45 2.89 2.43 -2.04 -3.40 114.38 109.93 1mka h ARG 137 Ca 0.00 -0.21 -0.62 0.00 -0.81 0.00 0.00 59.98 58.34 1mka h ARG 137 Cb 0.00 -0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 29.27 1mka h ARG 137 CO 0.00 0.92 -0.45 -0.51 -1.51 0.00 0.00 179.97 178.42 1mka s LEU 138 N -9.63 4.28 -0.27 3.80 1.43 -1.26 -5.08 118.68 111.95 1mka s LEU 138 Ca -0.12 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1mka s LEU 138 Cb 0.16 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1mka s LEU 138 CO 0.83 0.24 -0.01 -0.63 0.23 0.00 0.00 176.35 177.01 1mka s ILE 139 N -0.10 3.23 -0.03 -0.59 1.01 -1.25 -3.63 121.20 119.84 1mka s ILE 139 Ca 0.12 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 1mka s ILE 139 Cb -0.12 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.69 1mka s ILE 139 CO 0.01 0.13 0.17 -0.32 0.00 0.00 0.00 174.94 174.93 1mka s MET 140 N 1.37 0.39 0.01 2.79 1.75 0.74 -1.66 119.30 124.70 1mka s MET 140 Ca 0.00 -0.11 0.06 0.00 -1.25 0.00 0.00 55.69 54.39 1mka s MET 140 Cb -0.17 0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.65 1mka s MET 140 CO -0.02 -0.08 -0.17 0.20 -0.65 0.00 0.00 175.02 174.30 1mka s GLY 141 N -0.77 0.87 -0.05 2.11 0.00 0.28 -0.48 107.32 109.28 1mka s GLY 141 Ca -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1mka s GLY 141 CO 0.01 -0.73 -0.11 -2.27 0.00 0.00 0.00 173.10 170.00 1mka s LEU 142 N -0.75 1.63 0.22 0.66 2.96 0.16 -2.06 118.68 121.50 1mka s LEU 142 Ca 0.05 -0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 1mka s LEU 142 Cb -0.07 -0.73 0.03 0.00 0.50 0.00 0.00 46.19 45.91 1mka s LEU 142 CO 0.00 0.03 0.57 0.00 -1.32 0.00 0.00 176.35 175.64 1mka s ALA 143 N 0.59 -0.99 0.12 5.97 0.00 -0.73 -1.22 121.76 125.52 1mka s ALA 143 Ca -0.12 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1mka s ALA 143 Cb -0.14 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1mka s ALA 143 CO 0.03 -0.86 0.03 -0.51 0.00 0.00 0.00 175.76 174.45 1mka s ASP 144 N -2.89 5.10 0.10 0.00 1.01 -0.46 0.43 116.67 119.96 1mka s ASP 144 Ca 0.10 -0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.19 1mka s ASP 144 Cb -0.02 -1.22 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 1mka s ASP 144 CO -0.00 0.13 -0.10 -0.83 0.21 0.00 0.00 175.17 174.58 1mka s GLY 145 N -2.61 0.86 -0.01 0.21 0.00 0.91 -1.22 107.32 105.46 1mka s GLY 145 Ca 0.27 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1mka s GLY 145 CO 0.20 -1.29 -0.04 -0.54 0.00 0.00 0.00 173.10 171.43 1mka s GLU 146 N -2.89 0.33 -0.11 2.90 2.02 -0.28 -1.62 118.70 119.06 1mka s GLU 146 Ca 0.06 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 54.95 1mka s GLU 146 Cb -0.02 -0.34 0.01 0.00 0.10 0.00 0.00 34.13 33.88 1mka s GLU 146 CO -0.00 0.06 -0.16 0.08 0.02 0.00 0.00 175.26 175.26 1mka s VAL 147 N 0.05 1.52 0.07 2.63 1.01 -0.24 -1.19 120.40 124.24 1mka s VAL 147 Ca -0.00 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1mka s VAL 147 Cb -0.03 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1mka s VAL 147 CO -0.00 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.54 1mka s LEU 148 N 0.96 2.22 -0.17 3.92 1.02 -0.10 -0.52 118.68 126.01 1mka s LEU 148 Ca -0.07 -0.62 0.01 0.00 0.02 0.00 0.00 54.13 53.47 1mka s LEU 148 Cb -0.15 -1.12 0.02 0.00 0.02 0.00 0.00 46.19 44.96 1mka s LEU 148 CO -0.01 0.18 -0.17 0.54 0.02 0.00 0.00 176.35 176.91 1mka s VAL 149 N -0.91 1.86 -1.40 -1.59 0.11 0.20 -0.14 120.40 118.54 1mka s VAL 149 Ca 0.10 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1mka s VAL 149 Cb -0.10 -1.71 0.01 0.00 -1.53 0.00 0.00 36.38 33.05 1mka s VAL 149 CO 0.03 0.49 0.53 0.47 -3.33 0.00 0.00 175.10 173.29 1mka n ASP 150 N 4.68 -0.83 0.00 3.54 8.00 -0.20 -1.60 116.55 130.14 1mka n ASP 150 Ca -0.19 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1mka n ASP 150 Cb 0.50 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1mka n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mka n GLY 151 N -1.84 0.55 3.19 0.44 0.00 -1.26 -5.01 105.19 101.26 1mka n GLY 151 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1mka n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mka s ARG 152 N -0.33 3.02 0.09 1.61 0.52 -0.63 -5.07 118.95 118.16 1mka s ARG 152 Ca 0.00 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.04 1mka s ARG 152 Cb 0.00 -2.35 -0.08 0.00 0.52 0.00 0.00 34.95 33.04 1mka s ARG 152 CO 0.00 0.09 1.55 -1.17 0.02 0.00 0.00 175.30 175.79 1mka s LEU 153 N 0.57 4.36 0.00 2.53 2.96 -1.26 -0.63 118.68 127.21 1mka s LEU 153 Ca -0.13 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 1mka s LEU 153 Cb -0.17 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1mka s LEU 153 CO 0.04 -0.81 0.00 2.30 -1.32 0.00 0.00 176.35 176.56 1mka n ILE 154 N 4.40 0.00 -4.12 6.68 -5.35 0.33 -4.80 119.36 116.49 1mka n ILE 154 Ca 0.14 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.47 1mka n ILE 154 Cb 0.41 -0.62 -0.12 0.00 -1.74 0.00 0.00 39.64 37.57 1mka n ILE 154 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1mka s TYR 155 N -1.80 0.87 0.02 4.28 2.02 -0.98 0.38 117.35 122.14 1mka s TYR 155 Ca 0.00 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1mka s TYR 155 Cb 0.00 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 41.04 1mka s TYR 155 CO 0.00 -0.03 -0.06 0.95 -1.57 0.00 0.00 175.55 174.84 1mka s THR 156 N -1.25 0.42 -0.03 -0.71 -4.23 -0.63 -1.08 115.64 108.12 1mka s THR 156 Ca -0.06 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1mka s THR 156 Cb -0.09 -0.45 0.03 0.00 1.34 0.00 0.00 72.50 73.33 1mka s THR 156 CO 0.01 -0.21 0.05 0.00 -0.54 0.00 0.00 174.62 173.93 1mka s ALA 157 N -0.90 0.13 -0.08 3.99 0.00 -0.64 -1.08 121.76 123.17 1mka s ALA 157 Ca -0.06 0.28 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 1mka s ALA 157 Cb -0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1mka s ALA 157 CO 0.00 -0.30 0.21 -1.12 0.00 0.00 0.00 175.76 174.55 1mka s SER 158 N 1.63 6.49 -1.23 0.00 0.01 0.23 -0.06 113.70 120.77 1mka s SER 158 Ca -0.02 0.59 -0.03 0.00 1.31 0.00 0.00 55.95 57.80 1mka s SER 158 Cb -0.12 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 1mka s SER 158 CO -0.03 0.38 0.80 0.47 0.41 0.00 0.00 173.24 175.26 1mka n ASP 159 N 1.85 -2.51 -4.75 2.44 8.00 -0.80 -0.60 116.55 120.18 1mka n ASP 159 Ca -0.18 -0.78 -0.41 0.00 0.71 0.00 0.00 54.79 54.13 1mka n ASP 159 Cb 0.54 -4.37 -0.02 0.00 -0.02 0.00 0.00 41.12 37.25 1mka n ASP 159 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1mka s LEU 160 N -6.41 4.40 -0.06 0.64 1.43 0.17 -3.16 118.68 115.68 1mka s LEU 160 Ca 0.11 2.62 0.02 0.00 -1.03 0.00 0.00 54.13 55.85 1mka s LEU 160 Cb -0.03 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1mka s LEU 160 CO 0.79 -0.64 -0.10 -0.75 0.23 0.00 0.00 176.35 175.87 1mka s LYS 161 N -0.55 1.45 -0.03 1.70 2.20 -0.30 -1.77 119.74 122.45 1mka s LYS 161 Ca 0.57 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.81 1mka s LYS 161 Cb -0.41 -1.24 0.01 0.00 -1.51 0.00 0.00 37.83 34.68 1mka s LYS 161 CO 0.44 0.01 0.09 0.08 -0.36 0.00 0.00 175.35 175.61 1mka s VAL 162 N 0.69 0.02 0.15 4.02 1.01 -0.87 -0.60 120.40 124.83 1mka s VAL 162 Ca -0.13 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1mka s VAL 162 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1mka s VAL 162 CO 0.03 -0.11 -0.11 -0.83 0.00 0.00 0.00 175.10 174.08 1mka s GLY 163 N -0.31 1.12 -0.11 4.51 0.00 -0.83 -0.56 107.32 111.15 1mka s GLY 163 Ca -0.04 -1.51 -0.02 0.00 0.00 0.00 0.00 44.72 43.16 1mka s GLY 163 CO 0.00 -1.61 -0.04 1.08 0.00 0.00 0.00 173.10 172.53 1mka s LEU 164 N -3.16 3.27 -0.05 0.66 1.43 -0.66 -1.81 118.68 118.36 1mka s LEU 164 Ca 0.17 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1mka s LEU 164 Cb 0.02 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1mka s LEU 164 CO 0.02 0.28 -0.09 -0.36 0.23 0.00 0.00 176.35 176.42 1mka s PHE 165 N -0.28 1.12 0.09 0.29 0.40 0.10 -4.38 117.98 115.32 1mka s PHE 165 Ca 0.05 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1mka s PHE 165 Cb -0.13 -0.85 -0.25 0.00 0.51 0.00 0.00 43.02 42.31 1mka s PHE 165 CO 0.02 -0.20 1.20 1.96 0.70 0.00 0.00 175.22 178.91 1mka h GLN 166 N 6.83 0.14 -5.02 0.44 4.20 -1.86 0.29 115.11 120.13 1mka h GLN 166 Ca -0.34 -0.23 -0.67 0.00 0.06 0.00 0.00 58.65 57.47 1mka h GLN 166 Cb 1.17 0.09 -0.35 0.00 0.30 0.00 0.00 27.48 28.69 1mka h GLN 166 CO 0.48 1.11 -0.84 0.34 -0.67 0.00 0.00 178.83 179.24 1mka s ASP 167 N -6.92 3.44 -0.22 1.46 2.15 -1.26 -4.84 116.67 110.47 1mka s ASP 167 Ca -0.02 -0.77 0.12 0.00 0.43 0.00 0.00 52.55 52.31 1mka s ASP 167 Cb 0.08 -1.51 0.45 0.00 -0.30 0.00 0.00 42.92 41.64 1mka s ASP 167 CO 0.85 -0.04 1.33 0.35 -0.17 0.00 0.00 175.17 177.50 1mka n THR 168 N 4.60 2.30 0.22 1.71 -2.24 -1.26 -4.70 114.28 114.91 1mka n THR 168 Ca -0.20 -2.70 0.10 0.00 -2.27 0.00 0.00 64.05 58.99 1mka n THR 168 Cb 0.49 -0.27 0.42 0.00 -2.10 0.00 0.00 70.33 68.87 1mka n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1mka h SER 169 N 0.94 0.00 -0.03 3.42 4.64 -2.00 -3.07 113.55 117.45 1mka h SER 169 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1mka h SER 169 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1mka h SER 169 CO 0.18 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 1mka n ALA 170 N -2.21 2.59 1.31 5.18 0.00 -1.26 -5.33 120.51 120.79 1mka n ALA 170 Ca 0.01 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.17 1mka n ALA 170 Cb 0.45 -1.21 0.36 0.00 0.00 0.00 0.00 19.45 19.05 1mka n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69