#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bc3 s LEU 3 N 0.00 3.84 -0.02 0.00 2.96 -1.26 -4.83 118.68 119.36 1bc3 s LEU 3 Ca 0.00 1.22 0.05 0.00 -0.22 0.00 0.00 54.13 55.17 1bc3 s LEU 3 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 1bc3 s LEU 3 CO 0.00 -1.16 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.10 1bc3 s ARG 4 N 4.37 1.41 0.51 1.98 3.52 -1.21 -4.86 118.95 124.67 1bc3 s ARG 4 Ca 0.59 -0.58 0.07 0.00 -0.13 0.00 0.00 55.73 55.69 1bc3 s ARG 4 Cb -0.18 -1.33 0.05 0.00 -1.56 0.00 0.00 34.95 31.94 1bc3 s ARG 4 CO 0.25 0.32 0.70 0.20 -0.81 0.00 0.00 175.30 175.97 1bc3 s GLY 5 N -0.26 1.84 -0.01 8.12 0.00 -1.20 -0.82 107.32 114.98 1bc3 s GLY 5 Ca 0.04 -1.81 0.17 0.00 0.00 0.00 0.00 44.72 43.11 1bc3 s GLY 5 CO 0.00 -1.49 0.52 -1.30 0.00 0.00 0.00 173.10 170.83 1bc3 n THR 6 N -2.12 0.00 -4.83 0.90 -2.24 0.71 -4.54 114.28 102.17 1bc3 n THR 6 Ca 0.11 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 1bc3 n THR 6 Cb 0.60 0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 69.22 1bc3 n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1bc3 s VAL 7 N -2.87 2.97 0.33 2.28 1.01 -0.78 -5.01 120.40 118.32 1bc3 s VAL 7 Ca -0.00 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1bc3 s VAL 7 Cb 0.11 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1bc3 s VAL 7 CO 0.68 0.53 0.15 0.42 0.00 0.00 0.00 175.10 176.88 1bc3 s THR 8 N 0.25 0.46 0.29 3.92 -4.23 -1.26 -4.54 115.64 110.53 1bc3 s THR 8 Ca -0.10 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.11 1bc3 s THR 8 Cb -0.16 -2.51 -0.11 0.00 1.34 0.00 0.00 72.50 71.06 1bc3 s THR 8 CO 0.06 0.00 1.59 -1.81 -0.54 0.00 0.00 174.62 173.92 1bc3 s ASP 9 N -3.43 6.38 0.13 3.99 1.01 -1.26 -3.52 116.67 119.97 1bc3 s ASP 9 Ca 0.34 2.95 -0.30 0.00 0.71 0.00 0.00 52.55 56.24 1bc3 s ASP 9 Cb 0.05 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 1bc3 s ASP 9 CO 0.17 -0.91 1.18 0.12 0.21 0.00 0.00 175.17 175.93 1bc3 s PHE 10 N -0.02 3.47 0.07 4.23 5.36 -1.26 -4.93 117.98 124.90 1bc3 s PHE 10 Ca 0.63 1.41 -0.36 0.00 -0.96 0.00 0.00 56.93 57.65 1bc3 s PHE 10 Cb -0.48 -3.39 -0.19 0.00 -0.34 0.00 0.00 43.02 38.63 1bc3 s PHE 10 CO 0.48 -1.10 1.55 0.66 -1.46 0.00 0.00 175.22 175.35 1bc3 h SER 11 N 5.93 -1.22 -1.95 6.13 4.64 -1.93 -3.24 113.55 121.90 1bc3 h SER 11 Ca -0.43 0.07 -0.76 0.00 -0.47 0.00 0.00 61.79 60.20 1bc3 h SER 11 Cb 1.21 0.36 -0.25 0.00 -0.31 0.00 0.00 62.40 63.41 1bc3 h SER 11 CO 0.77 -0.74 1.09 0.61 -0.87 0.00 0.00 176.83 177.70 1bc3 n GLY 12 N -1.61 5.63 3.71 -0.77 0.00 -1.26 -5.01 105.19 105.88 1bc3 n GLY 12 Ca -0.14 -2.44 -0.42 0.00 0.00 0.00 0.00 46.02 43.02 1bc3 n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bc3 s PHE 13 N -3.76 2.91 -0.41 1.61 5.36 -1.23 -4.98 117.98 117.48 1bc3 s PHE 13 Ca 0.48 0.67 0.02 0.00 -0.96 0.00 0.00 56.93 57.13 1bc3 s PHE 13 Cb 0.32 -3.83 0.13 0.00 -0.34 0.00 0.00 43.02 39.31 1bc3 s PHE 13 CO -0.27 -3.10 0.21 0.34 -1.46 0.00 0.00 175.22 170.94 1bc3 s ASP 14 N 1.58 3.68 0.28 6.13 -1.08 -1.26 -5.01 116.67 121.00 1bc3 s ASP 14 Ca 0.69 -2.43 0.01 0.00 -0.52 0.00 0.00 52.55 50.29 1bc3 s ASP 14 Cb -0.39 -0.98 0.66 0.00 -1.46 0.00 0.00 42.92 40.76 1bc3 s ASP 14 CO 0.30 -0.29 1.68 1.23 0.52 0.00 0.00 175.17 178.61 1bc3 h GLY 15 N 6.97 1.36 0.88 2.66 0.00 -1.93 -1.82 103.07 111.20 1bc3 h GLY 15 Ca -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1bc3 h GLY 15 CO 0.47 -0.29 0.02 -0.09 0.00 0.00 0.00 176.54 176.65 1bc3 h ARG 16 N 0.31 0.50 -0.42 4.80 2.43 -1.93 -2.13 114.38 117.94 1bc3 h ARG 16 Ca 0.53 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1bc3 h ARG 16 Cb 1.00 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1bc3 h ARG 16 CO -0.57 0.64 0.26 0.00 -1.51 0.00 0.00 179.97 178.79 1bc3 h ALA 17 N 0.85 0.53 -0.98 2.80 0.00 -1.80 -2.38 119.26 118.28 1bc3 h ALA 17 Ca 0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1bc3 h ALA 17 Cb 0.39 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1bc3 h ALA 17 CO 0.01 -0.05 0.65 -0.44 0.00 0.00 0.00 179.25 179.41 1bc3 h ASP 18 N 0.53 1.11 -0.86 0.00 3.32 -1.29 -2.21 116.42 117.01 1bc3 h ASP 18 Ca 0.16 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1bc3 h ASP 18 Cb -0.02 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1bc3 h ASP 18 CO -0.06 0.79 0.48 0.00 -1.72 0.00 0.00 179.24 178.73 1bc3 h ALA 19 N 1.37 1.10 -0.46 3.45 0.00 -0.95 -1.44 119.26 122.34 1bc3 h ALA 19 Ca 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1bc3 h ALA 19 Cb -0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 1bc3 h ALA 19 CO -0.09 0.61 0.21 0.93 0.00 0.00 0.00 179.25 180.91 1bc3 h GLU 20 N 1.20 0.67 -0.74 0.00 5.08 -0.93 -0.84 114.58 119.03 1bc3 h GLU 20 Ca 0.30 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1bc3 h GLU 20 Cb 0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1bc3 h GLU 20 CO -0.05 0.58 0.49 0.28 -1.00 0.00 0.00 179.01 179.31 1bc3 h VAL 21 N 0.61 1.10 -0.23 3.13 2.07 -0.92 -0.79 116.25 121.21 1bc3 h VAL 21 Ca 0.16 -0.30 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 1bc3 h VAL 21 Cb 0.14 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1bc3 h VAL 21 CO -0.02 0.16 -0.59 -0.07 0.02 0.00 0.00 177.57 177.07 1bc3 h LEU 22 N 0.88 0.93 -0.14 2.57 3.38 -0.66 -2.33 115.31 119.93 1bc3 h LEU 22 Ca 0.30 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1bc3 h LEU 22 Cb 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1bc3 h LEU 22 CO -0.09 1.33 0.07 -0.09 0.09 0.00 0.00 178.44 179.75 1bc3 h ARG 23 N 0.57 0.20 -0.99 1.13 1.12 -0.59 -2.69 114.38 113.13 1bc3 h ARG 23 Ca -0.01 -0.03 0.07 0.00 -1.11 0.00 0.00 59.98 58.91 1bc3 h ARG 23 Cb 1.21 -0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 31.06 1bc3 h ARG 23 CO 0.13 0.24 0.64 0.87 -3.11 0.00 0.00 179.97 178.73 1bc3 h LYS 24 N 0.12 1.11 0.00 0.20 1.57 -1.18 0.28 116.57 118.66 1bc3 h LYS 24 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1bc3 h LYS 24 Cb 0.10 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1bc3 h LYS 24 CO -0.01 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.61 1bc3 h ALA 25 N 1.46 1.00 0.00 3.86 0.00 -1.10 -3.21 119.26 121.27 1bc3 h ALA 25 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1bc3 h ALA 25 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bc3 h ALA 25 CO -0.18 0.00 -1.08 -1.33 0.00 0.00 0.00 179.25 176.65 1bc3 n MET 26 N -2.56 0.48 -1.94 0.00 2.81 -0.61 -0.87 117.12 114.44 1bc3 n MET 26 Ca 0.01 -0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.47 1bc3 n MET 26 Cb 0.21 -1.05 -0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1bc3 n MET 26 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1bc3 s LYS 27 N -2.17 3.99 1.71 0.03 2.20 0.89 -4.79 119.74 121.60 1bc3 s LYS 27 Ca -0.01 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1bc3 s LYS 27 Cb 0.02 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1bc3 s LYS 27 CO 0.13 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1bc3 n GLY 28 N 0.62 -1.49 3.72 5.54 0.00 -1.26 -4.82 105.19 107.50 1bc3 n GLY 28 Ca 0.03 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1bc3 n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bc3 s LEU 29 N 0.00 4.42 0.00 0.99 1.43 -1.26 -4.87 118.68 119.39 1bc3 s LEU 29 Ca 0.00 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1bc3 s LEU 29 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1bc3 s LEU 29 CO 0.00 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1bc3 n GLY 30 N 2.66 -0.55 2.89 -3.19 0.00 -1.26 -5.02 105.19 100.72 1bc3 n GLY 30 Ca 0.06 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 1bc3 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bc3 s THR 31 N -1.36 -0.03 -1.26 2.61 2.01 -1.26 -4.73 115.64 111.62 1bc3 s THR 31 Ca 0.00 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 1bc3 s THR 31 Cb 0.00 -0.15 0.18 0.00 0.01 0.00 0.00 72.50 72.54 1bc3 s THR 31 CO 0.00 0.05 1.87 -0.67 -0.69 0.00 0.00 174.62 175.17 1bc3 n ASP 32 N 3.75 5.51 -0.27 3.53 2.03 -0.05 -4.80 116.55 126.24 1bc3 n ASP 32 Ca -0.21 -3.16 0.24 0.00 0.52 0.00 0.00 54.79 52.17 1bc3 n ASP 32 Cb 0.54 -1.44 0.57 0.00 -0.72 0.00 0.00 41.12 40.08 1bc3 n ASP 32 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1bc3 h GLU 33 N 5.59 0.28 -0.24 -0.67 3.07 -1.97 -2.33 114.58 118.31 1bc3 h GLU 33 Ca 0.39 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1bc3 h GLU 33 Cb 0.60 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1bc3 h GLU 33 CO 1.58 0.19 0.11 -0.44 -1.40 0.00 0.00 179.01 179.04 1bc3 h ASP 34 N 0.29 0.32 0.28 1.42 5.19 -1.98 -1.12 116.42 120.81 1bc3 h ASP 34 Ca 0.52 -0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.70 1bc3 h ASP 34 Cb 1.51 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.92 1bc3 h ASP 34 CO -0.17 0.37 -0.37 0.77 -3.12 0.00 0.00 179.24 176.71 1bc3 h SER 35 N 0.24 0.14 0.38 6.45 4.64 -1.84 0.67 113.55 124.23 1bc3 h SER 35 Ca 0.08 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1bc3 h SER 35 Cb 0.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1bc3 h SER 35 CO -0.01 0.51 -0.18 0.40 -0.87 0.00 0.00 176.83 176.68 1bc3 h ILE 36 N 0.12 0.53 -0.60 0.95 2.04 -1.41 -2.17 117.51 116.97 1bc3 h ILE 36 Ca 0.01 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.37 1bc3 h ILE 36 Cb 0.72 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1bc3 h ILE 36 CO 0.05 0.09 0.26 0.25 0.00 0.00 0.00 178.15 178.80 1bc3 h LEU 37 N -0.88 0.30 -0.92 1.44 6.46 -1.09 -0.49 115.31 120.13 1bc3 h LEU 37 Ca -0.05 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.66 1bc3 h LEU 37 Cb 0.54 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1bc3 h LEU 37 CO 0.08 0.19 -0.40 0.78 -0.62 0.00 0.00 178.44 178.47 1bc3 h ASN 38 N 0.47 0.30 0.04 1.25 2.35 -0.90 -2.99 115.58 116.09 1bc3 h ASN 38 Ca 0.30 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1bc3 h ASN 38 Cb 0.32 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1bc3 h ASN 38 CO -0.26 0.67 -0.02 0.25 -1.65 0.00 0.00 177.43 176.42 1bc3 h LEU 39 N 0.24 -0.04 -1.20 1.61 6.46 -0.83 -3.33 115.31 118.21 1bc3 h LEU 39 Ca 0.02 -0.64 -0.04 0.00 -0.12 0.00 0.00 57.88 57.10 1bc3 h LEU 39 Cb 0.81 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1bc3 h LEU 39 CO 0.06 0.72 0.11 -0.07 -0.62 0.00 0.00 178.44 178.64 1bc3 h LEU 40 N -0.91 0.61 0.00 2.25 3.38 -1.19 -2.00 115.31 117.46 1bc3 h LEU 40 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1bc3 h LEU 40 Cb 0.68 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1bc3 h LEU 40 CO 0.01 0.61 0.00 0.35 0.09 0.00 0.00 178.44 179.50 1bc3 n THR 41 N -4.31 0.00 -0.07 0.22 -2.24 -1.13 -2.85 114.28 103.90 1bc3 n THR 41 Ca 0.03 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.87 1bc3 n THR 41 Cb 0.20 -0.51 0.14 0.00 -2.10 0.00 0.00 70.33 68.06 1bc3 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bc3 n ALA 42 N -0.99 2.23 -2.45 6.98 0.00 -0.76 -4.76 120.51 120.77 1bc3 n ALA 42 Ca 0.23 -1.06 -0.27 0.00 0.00 0.00 0.00 53.44 52.34 1bc3 n ALA 42 Cb 0.10 -0.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 1bc3 n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bc3 s ARG 43 N -1.00 1.30 0.86 0.00 1.81 -1.13 -4.45 118.95 116.34 1bc3 s ARG 43 Ca 0.22 -1.28 -0.12 0.00 -1.72 0.00 0.00 55.73 52.83 1bc3 s ARG 43 Cb 0.12 -1.70 0.11 0.00 -0.45 0.00 0.00 34.95 33.03 1bc3 s ARG 43 CO 0.16 0.40 1.12 -1.54 -0.68 0.00 0.00 175.30 174.76 1bc3 s SER 44 N -2.03 3.95 0.32 0.23 1.04 -1.23 -4.82 113.70 111.16 1bc3 s SER 44 Ca 0.11 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.68 1bc3 s SER 44 Cb -0.10 -1.78 0.54 0.00 0.10 0.00 0.00 66.02 64.79 1bc3 s SER 44 CO 0.05 -2.29 1.91 -1.13 0.98 0.00 0.00 173.24 172.76 1bc3 h ASN 45 N -1.32 0.69 0.22 7.02 -0.73 -1.93 -1.34 115.58 118.20 1bc3 h ASN 45 Ca -0.49 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 57.52 1bc3 h ASN 45 Cb 1.30 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.70 1bc3 h ASN 45 CO 0.61 0.62 -0.32 0.00 -0.37 0.00 0.00 177.43 177.97 1bc3 h ALA 46 N 1.49 1.31 0.02 1.57 0.00 -1.97 -2.54 119.26 119.14 1bc3 h ALA 46 Ca 0.18 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1bc3 h ALA 46 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bc3 h ALA 46 CO -0.02 0.48 -0.95 1.96 0.00 0.00 0.00 179.25 180.72 1bc3 h GLN 47 N 0.14 0.32 -0.38 0.00 4.20 -1.74 -2.95 115.11 114.71 1bc3 h GLN 47 Ca 0.02 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 1bc3 h GLN 47 Cb 0.64 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1bc3 h GLN 47 CO 0.05 1.07 0.14 0.00 -0.67 0.00 0.00 178.83 179.41 1bc3 h ARG 48 N 0.17 0.55 -0.40 1.46 3.08 -0.92 -0.05 114.38 118.27 1bc3 h ARG 48 Ca -0.07 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 1bc3 h ARG 48 Cb 1.60 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 1bc3 h ARG 48 CO 0.16 0.47 -0.32 1.96 -1.07 0.00 0.00 179.97 181.16 1bc3 h GLN 49 N 0.54 0.93 -0.45 0.04 1.08 -1.40 -1.81 115.11 114.05 1bc3 h GLN 49 Ca 0.13 -0.46 -0.13 0.00 -1.45 0.00 0.00 58.65 56.75 1bc3 h GLN 49 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1bc3 h GLN 49 CO -0.01 1.12 -0.21 1.96 -0.95 0.00 0.00 178.83 180.74 1bc3 h GLN 50 N 0.75 0.94 -0.89 1.46 4.20 -1.25 -2.00 115.11 118.33 1bc3 h GLN 50 Ca 0.07 -0.41 0.04 0.00 0.06 0.00 0.00 58.65 58.42 1bc3 h GLN 50 Cb 0.91 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.60 1bc3 h GLN 50 CO 0.08 1.07 0.57 0.82 -0.67 0.00 0.00 178.83 180.70 1bc3 h ILE 51 N 0.78 1.11 -0.31 2.54 2.04 -0.94 -0.50 117.51 122.23 1bc3 h ILE 51 Ca 0.10 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1bc3 h ILE 51 Cb 0.78 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1bc3 h ILE 51 CO 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.40 1bc3 h ALA 52 N 1.39 1.41 -0.13 1.87 0.00 -0.98 -1.41 119.26 121.40 1bc3 h ALA 52 Ca 0.37 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1bc3 h ALA 52 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1bc3 h ALA 52 CO -0.14 0.42 -0.10 0.93 0.00 0.00 0.00 179.25 180.35 1bc3 h GLU 53 N 0.46 0.30 -0.43 0.00 5.08 -0.43 -2.78 114.58 116.79 1bc3 h GLU 53 Ca 0.10 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bc3 h GLU 53 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1bc3 h GLU 53 CO 0.01 0.68 0.25 0.93 -1.00 0.00 0.00 179.01 179.88 1bc3 h GLU 54 N -0.08 0.58 -0.85 2.33 4.39 -0.95 -1.54 114.58 118.46 1bc3 h GLU 54 Ca 0.02 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.77 1bc3 h GLU 54 Cb 0.61 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 1bc3 h GLU 54 CO 0.03 0.44 0.55 0.35 -1.16 0.00 0.00 179.01 179.22 1bc3 h PHE 55 N 0.56 0.86 0.06 4.33 3.04 -1.29 0.14 116.94 124.63 1bc3 h PHE 55 Ca 0.15 0.02 -0.25 0.00 3.98 0.00 0.00 57.97 61.88 1bc3 h PHE 55 Cb 0.01 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 38.25 1bc3 h PHE 55 CO -0.03 0.38 -1.07 -0.22 -2.02 0.00 0.00 178.31 175.34 1bc3 h LYS 56 N 0.78 0.40 0.00 1.11 3.64 -1.14 -1.55 116.57 119.82 1bc3 h LYS 56 Ca 0.40 -0.51 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 1bc3 h LYS 56 Cb 0.50 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1bc3 h LYS 56 CO -0.17 1.18 -0.57 1.79 -2.27 0.00 0.00 179.45 179.41 1bc3 h THR 57 N 0.19 1.03 0.19 1.00 1.35 -0.59 0.20 112.91 116.29 1bc3 h THR 57 Ca -0.11 -2.31 -0.27 0.00 -0.55 0.00 0.00 66.41 63.17 1bc3 h THR 57 Cb 1.74 2.40 0.03 0.00 -1.73 0.00 0.00 68.15 70.59 1bc3 h THR 57 CO 0.19 0.56 -1.19 -0.07 -0.25 0.00 0.00 175.52 174.76 1bc3 h LEU 58 N 0.00 0.64 -0.07 3.87 3.38 -0.79 -3.40 115.31 118.95 1bc3 h LEU 58 Ca -0.01 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1bc3 h LEU 58 Cb 1.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1bc3 h LEU 58 CO 0.07 1.57 -0.32 0.49 0.09 0.00 0.00 178.44 180.35 1bc3 n PHE 59 N -3.91 0.00 -2.03 1.13 3.72 -0.58 -5.00 117.46 110.79 1bc3 n PHE 59 Ca -0.16 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.08 1bc3 n PHE 59 Cb 0.96 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.48 1bc3 n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bc3 n GLY 60 N 1.13 0.32 3.40 1.37 0.00 0.70 -4.99 105.19 107.12 1bc3 n GLY 60 Ca 0.02 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1bc3 n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bc3 s ARG 61 N -4.31 1.44 -0.37 1.61 0.52 -1.26 -5.04 118.95 111.54 1bc3 s ARG 61 Ca 0.00 -1.46 -0.19 0.00 -0.52 0.00 0.00 55.73 53.55 1bc3 s ARG 61 Cb 0.00 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.74 1bc3 s ARG 61 CO 0.00 0.38 0.57 0.34 0.02 0.00 0.00 175.30 176.60 1bc3 s ASP 62 N -2.55 6.34 0.14 0.23 -1.08 -1.26 -3.83 116.67 114.65 1bc3 s ASP 62 Ca 0.18 -0.05 -0.27 0.00 -0.52 0.00 0.00 52.55 51.89 1bc3 s ASP 62 Cb -0.08 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 39.07 1bc3 s ASP 62 CO 0.08 -0.56 1.60 0.25 0.52 0.00 0.00 175.17 177.06 1bc3 h LEU 63 N 9.26 -1.13 -0.83 -1.34 5.85 -1.92 0.54 115.31 125.74 1bc3 h LEU 63 Ca -0.27 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1bc3 h LEU 63 Cb 1.12 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 1bc3 h LEU 63 CO 0.81 -0.38 0.51 0.58 -0.34 0.00 0.00 178.44 179.63 1bc3 h VAL 64 N -0.41 1.23 -0.11 1.05 2.07 -1.96 0.83 116.25 118.95 1bc3 h VAL 64 Ca 0.10 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1bc3 h VAL 64 Cb 0.58 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1bc3 h VAL 64 CO -0.39 0.23 -0.26 0.78 0.02 0.00 0.00 177.57 177.95 1bc3 h ASN 65 N 1.13 0.19 -0.18 0.57 2.35 -1.88 -0.60 115.58 117.15 1bc3 h ASN 65 Ca 0.30 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.85 1bc3 h ASN 65 Cb -0.07 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1bc3 h ASN 65 CO -0.06 0.45 -0.46 0.44 -1.65 0.00 0.00 177.43 176.15 1bc3 h ASP 66 N 0.17 0.72 -0.03 5.81 3.32 0.15 -2.83 116.42 123.74 1bc3 h ASP 66 Ca 0.03 -0.57 -0.09 0.00 0.02 0.00 0.00 57.03 56.41 1bc3 h ASP 66 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1bc3 h ASP 66 CO 0.04 1.17 -0.26 0.24 -1.72 0.00 0.00 179.24 178.71 1bc3 h MET 67 N 0.32 0.45 -0.29 3.56 2.86 -0.58 -2.03 114.93 119.21 1bc3 h MET 67 Ca -0.01 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1bc3 h MET 67 Cb 1.08 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1bc3 h MET 67 CO 0.10 0.67 -0.12 0.87 1.06 0.00 0.00 176.91 179.49 1bc3 h LYS 68 N 0.39 0.49 0.00 1.72 1.57 -1.08 0.31 116.57 119.98 1bc3 h LYS 68 Ca 0.06 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1bc3 h LYS 68 Cb 0.66 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1bc3 h LYS 68 CO 0.05 0.61 -0.15 0.66 -0.57 0.00 0.00 179.45 180.04 1bc3 h SER 69 N 0.46 0.00 0.00 0.86 4.64 -1.22 -3.36 113.55 114.92 1bc3 h SER 69 Ca 0.09 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.19 1bc3 h SER 69 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1bc3 h SER 69 CO 0.03 0.12 -1.27 -0.62 -0.87 0.00 0.00 176.83 174.22 1bc3 n GLU 70 N -3.11 0.55 -1.99 4.77 -0.58 -0.80 -4.98 120.64 114.50 1bc3 n GLU 70 Ca 0.03 0.54 -0.32 0.00 -0.42 0.00 0.00 57.16 57.00 1bc3 n GLU 70 Cb 0.58 -1.72 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1bc3 n GLU 70 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bc3 s LEU 71 N -7.89 3.37 0.17 -4.62 1.43 0.11 -4.98 118.68 106.27 1bc3 s LEU 71 Ca -0.28 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 54.44 1bc3 s LEU 71 Cb 0.06 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1bc3 s LEU 71 CO 0.53 -0.96 -0.09 -0.54 0.23 0.00 0.00 176.35 175.52 1bc3 s LYS 72 N -4.63 1.16 1.30 1.70 3.01 -1.26 -4.81 119.74 116.20 1bc3 s LYS 72 Ca 0.58 -1.52 0.00 0.00 -1.01 0.00 0.00 55.97 54.02 1bc3 s LYS 72 Cb -0.12 -0.70 0.00 0.00 -1.01 0.00 0.00 37.83 36.00 1bc3 s LYS 72 CO 0.45 0.06 0.00 0.41 0.51 0.00 0.00 175.35 176.77 1bc3 n GLY 73 N -0.27 0.87 0.38 -3.33 0.00 -1.26 -2.43 105.19 99.15 1bc3 n GLY 73 Ca -0.09 -0.64 0.20 0.00 0.00 0.00 0.00 46.02 45.49 1bc3 n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bc3 h LYS 74 N 0.00 0.00 -0.42 1.61 1.57 -1.99 0.76 116.57 118.10 1bc3 h LYS 74 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1bc3 h LYS 74 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1bc3 h LYS 74 CO 0.00 0.00 -0.14 0.35 -0.57 0.00 0.00 179.45 179.09 1bc3 h PHE 75 N 0.00 0.95 0.06 -1.35 3.57 -1.95 -0.87 116.94 117.35 1bc3 h PHE 75 Ca 0.21 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1bc3 h PHE 75 Cb 0.94 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1bc3 h PHE 75 CO 0.00 0.97 -0.03 1.49 -2.23 0.00 0.00 178.31 178.51 1bc3 h GLU 76 N 0.65 -0.08 -0.91 1.11 4.81 -0.53 -1.34 114.58 118.30 1bc3 h GLU 76 Ca 0.10 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1bc3 h GLU 76 Cb 0.69 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 1bc3 h GLU 76 CO 0.05 0.07 0.58 0.87 -0.73 0.00 0.00 179.01 179.85 1bc3 h LYS 77 N -0.21 0.75 -0.03 1.92 1.57 -1.19 0.20 116.57 119.58 1bc3 h LYS 77 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1bc3 h LYS 77 Cb 0.18 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1bc3 h LYS 77 CO 0.01 0.50 -0.03 1.25 -0.57 0.00 0.00 179.45 180.61 1bc3 h LEU 78 N 0.77 0.09 -1.04 2.94 5.85 -0.86 -1.95 115.31 121.11 1bc3 h LEU 78 Ca 0.45 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1bc3 h LEU 78 Cb 0.62 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1bc3 h LEU 78 CO -0.21 0.55 0.31 0.40 -0.34 0.00 0.00 178.44 179.16 1bc3 h ILE 79 N -0.38 1.23 -0.61 4.05 1.08 -0.59 0.20 117.51 122.49 1bc3 h ILE 79 Ca 0.01 -0.66 -0.07 0.00 -0.39 0.00 0.00 64.86 63.75 1bc3 h ILE 79 Cb 0.53 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1bc3 h ILE 79 CO 0.01 0.27 0.13 0.58 -0.69 0.00 0.00 178.15 178.45 1bc3 h VAL 80 N 0.98 1.26 -0.32 1.67 2.07 -0.64 -1.76 116.25 119.50 1bc3 h VAL 80 Ca 0.24 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1bc3 h VAL 80 Cb 0.13 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1bc3 h VAL 80 CO -0.03 0.36 -0.13 0.00 0.02 0.00 0.00 177.57 177.79 1bc3 h ALA 81 N 1.03 1.18 0.00 1.67 0.00 -0.67 -2.36 119.26 120.11 1bc3 h ALA 81 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1bc3 h ALA 81 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bc3 h ALA 81 CO 0.01 0.52 -0.22 1.25 0.00 0.00 0.00 179.25 180.81 1bc3 h LEU 82 N 0.51 0.00 0.00 0.00 5.85 -0.52 -2.91 115.31 118.25 1bc3 h LEU 82 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1bc3 h LEU 82 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1bc3 h LEU 82 CO 0.03 0.22 -0.67 0.24 -0.34 0.00 0.00 178.44 177.93 1bc3 h MET 83 N 0.00 0.00 -6.69 1.25 2.86 -0.81 -3.47 114.93 108.08 1bc3 h MET 83 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1bc3 h MET 83 Cb 0.60 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.32 1bc3 h MET 83 CO 0.03 0.00 0.85 0.15 1.06 0.00 0.00 176.91 179.00 1bc3 s LYS 84 N -3.27 4.21 0.41 1.72 -0.14 -1.07 -4.87 119.74 116.73 1bc3 s LYS 84 Ca 0.03 2.40 -0.27 0.00 -1.36 0.00 0.00 55.97 56.77 1bc3 s LYS 84 Cb 0.10 -3.11 -0.10 0.00 -1.68 0.00 0.00 37.83 33.04 1bc3 s LYS 84 CO 0.74 -0.56 1.43 -2.30 -0.76 0.00 0.00 175.35 173.90 1bc3 n PRO 85 N 3.12 2.38 -0.17 -1.68 -0.02 -1.26 -4.77 135.00 132.61 1bc3 n PRO 85 Ca 0.11 0.84 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 1bc3 n PRO 85 Cb 0.39 -2.60 0.08 0.00 -0.02 0.00 0.00 33.50 31.34 1bc3 n PRO 85 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1bc3 h SER 86 N 2.55 -0.19 0.10 2.55 0.02 -1.91 -0.34 113.55 116.33 1bc3 h SER 86 Ca -0.50 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1bc3 h SER 86 Cb 1.26 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1bc3 h SER 86 CO 0.62 -0.07 0.00 -2.11 -1.14 0.00 0.00 176.83 174.13 1bc3 n ARG 87 N -5.23 0.22 -0.00 3.45 1.85 -1.26 -2.81 116.66 112.89 1bc3 n ARG 87 Ca 0.07 0.10 0.01 0.00 -1.00 0.00 0.00 57.85 57.03 1bc3 n ARG 87 Cb 0.30 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.19 1bc3 n ARG 87 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1bc3 n LEU 88 N -1.15 0.00 0.00 2.89 4.32 -0.22 -4.79 117.00 118.06 1bc3 n LEU 88 Ca 0.06 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.95 1bc3 n LEU 88 Cb 0.06 0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1bc3 n LEU 88 CO 0.07 0.01 0.69 0.22 -1.22 0.00 0.00 177.39 177.15 1bc3 h TYR 89 N 0.00 -0.69 -0.62 -1.77 3.20 -1.18 0.27 116.97 116.18 1bc3 h TYR 89 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1bc3 h TYR 89 Cb 0.21 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1bc3 h TYR 89 CO 0.00 -0.34 0.38 -0.44 -1.64 0.00 0.00 178.16 176.12 1bc3 h ASP 90 N -0.33 0.74 -0.81 -2.11 3.32 -1.88 -0.02 116.42 115.33 1bc3 h ASP 90 Ca 0.10 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1bc3 h ASP 90 Cb 0.48 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1bc3 h ASP 90 CO -0.31 0.58 0.52 0.00 -1.72 0.00 0.00 179.24 178.30 1bc3 h ALA 91 N 1.20 1.06 -0.51 3.45 0.00 -1.77 -0.21 119.26 122.47 1bc3 h ALA 91 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1bc3 h ALA 91 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1bc3 h ALA 91 CO -0.04 0.35 0.30 -0.92 0.00 0.00 0.00 179.25 178.93 1bc3 h TYR 92 N 1.02 0.69 -0.46 0.00 3.20 -0.03 0.18 116.97 121.56 1bc3 h TYR 92 Ca 0.32 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 1bc3 h TYR 92 Cb -0.00 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1bc3 h TYR 92 CO -0.03 0.49 -0.12 0.93 -1.64 0.00 0.00 178.16 177.80 1bc3 h GLU 93 N 0.68 0.90 -0.05 1.82 4.39 -0.57 -2.29 114.58 119.46 1bc3 h GLU 93 Ca 0.18 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1bc3 h GLU 93 Cb 0.01 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1bc3 h GLU 93 CO -0.03 0.99 0.03 -0.07 -1.16 0.00 0.00 179.01 178.77 1bc3 h LEU 94 N 0.74 0.06 -0.86 1.33 4.07 -0.79 -0.93 115.31 118.93 1bc3 h LEU 94 Ca 0.12 -0.04 0.12 0.00 0.08 0.00 0.00 57.88 58.15 1bc3 h LEU 94 Cb 0.67 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.31 1bc3 h LEU 94 CO 0.05 0.08 0.48 0.50 -1.08 0.00 0.00 178.44 178.47 1bc3 h LYS 95 N 0.03 0.74 0.00 1.13 1.63 -0.88 -0.55 116.57 118.67 1bc3 h LYS 95 Ca 0.02 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1bc3 h LYS 95 Cb 0.03 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1bc3 h LYS 95 CO -0.00 0.49 0.00 0.45 -3.45 0.00 0.00 179.45 176.94 1bc3 h HIS 96 N 0.76 0.00 0.02 1.91 3.86 -1.04 -1.45 115.15 119.20 1bc3 h HIS 96 Ca 0.43 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.40 1bc3 h HIS 96 Cb 0.48 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1bc3 h HIS 96 CO -0.06 0.00 -1.22 0.00 0.86 0.00 0.00 177.93 177.51 1bc3 h ALA 97 N 2.30 0.43 0.00 2.45 0.00 0.26 -3.27 119.26 121.44 1bc3 h ALA 97 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 54.91 53.74 1bc3 h ALA 97 Cb 0.73 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1bc3 h ALA 97 CO 0.00 1.30 -0.78 -0.07 0.00 0.00 0.00 179.25 179.70 1bc3 h LEU 98 N 0.01 0.00-10.31 0.00 3.38 -1.15 0.26 115.31 107.50 1bc3 h LEU 98 Ca -0.10 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.36 1bc3 h LEU 98 Cb 1.86 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.73 1bc3 h LEU 98 CO 0.13 0.49 0.33 -0.54 0.09 0.00 0.00 178.44 178.94 1bc3 s LYS 99 N -2.97 2.42 0.00 1.13 3.01 -0.56 -4.72 119.74 118.04 1bc3 s LYS 99 Ca 0.02 1.15 0.00 0.00 -1.01 0.00 0.00 55.97 56.13 1bc3 s LYS 99 Cb 0.08 -1.92 0.00 0.00 -1.01 0.00 0.00 37.83 34.98 1bc3 s LYS 99 CO 0.77 -1.52 0.00 0.41 0.51 0.00 0.00 175.35 175.52 1bc3 n GLY 100 N -1.27 -1.05 0.49 -3.33 0.00 -1.26 -4.59 105.19 94.18 1bc3 n GLY 100 Ca 0.09 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1bc3 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bc3 h ALA 101 N 0.00 -1.12 -2.16 4.61 0.00 -1.99 -3.43 119.26 115.16 1bc3 h ALA 101 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 54.91 54.28 1bc3 h ALA 101 Cb 0.00 0.66 0.17 0.00 0.00 0.00 0.00 17.79 18.63 1bc3 h ALA 101 CO 0.00 -1.16 0.19 0.20 0.00 0.00 0.00 179.25 178.48 1bc3 s GLY 102 N -2.12 1.59 -0.05 0.00 0.00 -1.26 -5.08 107.32 100.40 1bc3 s GLY 102 Ca -0.18 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1bc3 s GLY 102 CO 0.61 0.01 -0.07 -1.59 0.00 0.00 0.00 173.10 172.06 1bc3 s THR 103 N -3.09 0.70 -1.13 0.90 2.01 -1.26 -4.52 115.64 109.25 1bc3 s THR 103 Ca 0.69 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.28 1bc3 s THR 103 Cb -0.12 -0.69 0.10 0.00 0.01 0.00 0.00 72.50 71.80 1bc3 s THR 103 CO 0.56 0.26 1.46 -0.62 -0.69 0.00 0.00 174.62 175.59 1bc3 s ASP 104 N 0.79 6.78 0.44 3.53 -1.08 0.91 -4.81 116.67 123.23 1bc3 s ASP 104 Ca -0.12 -2.27 0.14 0.00 -0.52 0.00 0.00 52.55 49.78 1bc3 s ASP 104 Cb -0.14 -2.49 1.05 0.00 -1.46 0.00 0.00 42.92 39.87 1bc3 s ASP 104 CO 0.01 -1.12 2.00 -0.33 0.52 0.00 0.00 175.17 176.25 1bc3 h GLU 105 N 8.25 0.37 -0.85 4.34 3.07 -1.98 -0.89 114.58 126.89 1bc3 h GLU 105 Ca 0.29 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.22 1bc3 h GLU 105 Cb 0.94 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.69 1bc3 h GLU 105 CO 1.32 0.24 0.50 -0.22 -1.40 0.00 0.00 179.01 179.46 1bc3 h LYS 106 N 0.38 0.83 -0.13 2.33 3.64 -1.99 0.23 116.57 121.87 1bc3 h LYS 106 Ca 0.25 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1bc3 h LYS 106 Cb 0.49 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1bc3 h LYS 106 CO -0.06 0.55 -0.31 0.28 -2.27 0.00 0.00 179.45 177.64 1bc3 h VAL 107 N 0.85 1.37 0.14 2.00 2.07 -1.58 -1.35 116.25 119.76 1bc3 h VAL 107 Ca 0.40 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1bc3 h VAL 107 Cb 0.33 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1bc3 h VAL 107 CO -0.23 0.47 -0.08 -0.07 0.02 0.00 0.00 177.57 177.68 1bc3 h LEU 108 N 0.03 -0.21 -0.03 2.57 3.38 -1.04 -1.48 115.31 118.53 1bc3 h LEU 108 Ca -0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1bc3 h LEU 108 Cb 0.91 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1bc3 h LEU 108 CO 0.07 -0.14 -0.14 0.74 0.09 0.00 0.00 178.44 179.06 1bc3 h THR 109 N -0.22 0.65 -0.58 0.22 2.02 -0.61 -1.00 112.91 113.40 1bc3 h THR 109 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1bc3 h THR 109 Cb 0.18 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1bc3 h THR 109 CO 0.02 0.00 0.29 -0.08 0.37 0.00 0.00 175.52 176.12 1bc3 h GLU 110 N -0.22 0.54 0.02 6.66 4.81 -1.08 -1.87 114.58 123.44 1bc3 h GLU 110 Ca 0.06 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1bc3 h GLU 110 Cb 0.29 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.56 1bc3 h GLU 110 CO -0.16 0.36 -0.23 0.82 -0.73 0.00 0.00 179.01 179.07 1bc3 h ILE 111 N 0.55 1.63 -0.29 2.32 2.04 -1.17 -3.02 117.51 119.56 1bc3 h ILE 111 Ca 0.26 -2.14 -0.07 0.00 1.00 0.00 0.00 64.86 63.91 1bc3 h ILE 111 Cb 0.19 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 1bc3 h ILE 111 CO -0.19 0.58 -0.13 0.40 0.00 0.00 0.00 178.15 178.81 1bc3 h ILE 112 N -0.67 1.23 0.05 -0.67 2.04 -1.22 -2.18 117.51 116.10 1bc3 h ILE 112 Ca -0.03 -1.02 -0.26 0.00 1.00 0.00 0.00 64.86 64.55 1bc3 h ILE 112 Cb 1.07 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1bc3 h ILE 112 CO 0.04 0.33 -1.09 0.00 0.00 0.00 0.00 178.15 177.44 1bc3 h ALA 113 N 1.41 0.19 -0.01 1.87 0.00 -1.48 -3.35 119.26 117.89 1bc3 h ALA 113 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1bc3 h ALA 113 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1bc3 h ALA 113 CO 0.03 0.78 -0.32 -1.13 0.00 0.00 0.00 179.25 178.61 1bc3 n SER 114 N -3.74 1.04 -4.85 0.00 3.41 -1.14 -4.75 113.62 103.59 1bc3 n SER 114 Ca -0.10 -0.87 -0.37 0.00 -0.26 0.00 0.00 58.87 57.28 1bc3 n SER 114 Cb 0.91 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 1bc3 n SER 114 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1bc3 s ARG 115 N -2.57 3.79 0.80 4.33 3.00 -0.83 -4.99 118.95 122.49 1bc3 s ARG 115 Ca 0.22 0.26 -0.11 0.00 0.00 0.00 0.00 55.73 56.09 1bc3 s ARG 115 Cb 0.19 -3.16 0.07 0.00 0.00 0.00 0.00 34.95 32.06 1bc3 s ARG 115 CO 0.55 0.67 1.09 0.95 0.00 0.00 0.00 175.30 178.56 1bc3 s THR 116 N -1.16 3.16 0.26 0.02 -4.23 -1.26 -4.76 115.64 107.68 1bc3 s THR 116 Ca 0.25 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 61.11 1bc3 s THR 116 Cb -0.15 -3.02 0.27 0.00 1.34 0.00 0.00 72.50 70.93 1bc3 s THR 116 CO 0.13 -0.49 1.89 -0.65 -0.54 0.00 0.00 174.62 174.96 1bc3 h PRO 117 N -1.14 1.17 -0.86 3.99 0.11 -1.94 0.13 132.00 133.45 1bc3 h PRO 117 Ca -0.47 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.62 1bc3 h PRO 117 Cb 1.26 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1bc3 h PRO 117 CO 0.57 0.77 0.55 0.93 -0.21 0.00 0.00 178.00 180.61 1bc3 h GLU 118 N 1.21 1.01 -0.27 1.05 3.07 -1.92 0.11 114.58 118.84 1bc3 h GLU 118 Ca 0.42 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 59.05 1bc3 h GLU 118 Cb 0.11 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1bc3 h GLU 118 CO -0.16 0.67 -0.50 0.93 -1.40 0.00 0.00 179.01 178.56 1bc3 h GLU 119 N 1.04 0.75 -0.35 2.33 5.08 -1.50 -2.64 114.58 119.28 1bc3 h GLU 119 Ca 0.35 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1bc3 h GLU 119 Cb 0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1bc3 h GLU 119 CO -0.13 1.07 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.71 1bc3 h LEU 120 N 0.59 0.64 0.05 1.33 -0.00 -0.18 0.34 115.31 118.07 1bc3 h LEU 120 Ca 0.03 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1bc3 h LEU 120 Cb 1.07 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1bc3 h LEU 120 CO 0.11 0.82 -0.02 0.03 -0.00 0.00 0.00 178.44 179.37 1bc3 h ARG 121 N 0.58 -0.06 -0.29 1.13 3.08 -0.70 -1.25 114.38 116.86 1bc3 h ARG 121 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1bc3 h ARG 121 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1bc3 h ARG 121 CO 0.04 0.04 0.15 0.00 -1.07 0.00 0.00 179.97 179.14 1bc3 h ALA 122 N 0.80 0.38 -0.87 0.04 0.00 -1.28 -2.52 119.26 115.81 1bc3 h ALA 122 Ca -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1bc3 h ALA 122 Cb 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1bc3 h ALA 122 CO 0.01 -0.08 0.57 0.82 0.00 0.00 0.00 179.25 180.57 1bc3 h ILE 123 N 0.35 1.06 -0.51 0.00 2.04 -0.82 -1.28 117.51 118.34 1bc3 h ILE 123 Ca 0.10 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 1bc3 h ILE 123 Cb 0.09 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1bc3 h ILE 123 CO -0.01 0.18 -0.16 0.11 0.00 0.00 0.00 178.15 178.26 1bc3 h LYS 124 N 0.98 1.01 0.12 2.37 1.57 -0.95 -1.11 116.57 120.56 1bc3 h LYS 124 Ca 0.38 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1bc3 h LYS 124 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1bc3 h LYS 124 CO -0.14 1.09 -0.06 0.37 -0.57 0.00 0.00 179.45 180.14 1bc3 h GLN 125 N 0.88 -0.16 -0.66 3.15 4.15 -1.00 -2.40 115.11 119.07 1bc3 h GLN 125 Ca 0.12 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.58 1bc3 h GLN 125 Cb 0.74 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 1bc3 h GLN 125 CO 0.06 0.10 0.41 0.00 -1.93 0.00 0.00 178.83 177.47 1bc3 h ALA 126 N 0.43 0.85 0.05 3.38 0.00 -1.25 -2.04 119.26 120.68 1bc3 h ALA 126 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bc3 h ALA 126 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1bc3 h ALA 126 CO 0.03 0.19 -0.19 -0.92 0.00 0.00 0.00 179.25 178.36 1bc3 h TYR 127 N 0.82 -0.49 -0.39 0.00 5.03 -1.13 -1.12 116.97 119.69 1bc3 h TYR 127 Ca 0.26 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1bc3 h TYR 127 Cb -0.01 0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 1bc3 h TYR 127 CO -0.04 -0.27 0.21 1.49 -1.32 0.00 0.00 178.16 178.23 1bc3 h GLU 128 N -0.33 0.54 0.00 1.82 4.81 -1.22 0.13 114.58 120.33 1bc3 h GLU 128 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bc3 h GLU 128 Cb 0.37 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1bc3 h GLU 128 CO -0.14 0.44 0.00 -0.85 -0.73 0.00 0.00 179.01 177.73 1bc3 n GLU 129 N -4.74 0.16 -0.11 1.92 0.28 -0.79 -0.27 120.64 117.09 1bc3 n GLU 129 Ca -0.00 0.27 -0.21 0.00 -0.16 0.00 0.00 57.16 57.06 1bc3 n GLU 129 Cb 0.08 -1.75 -0.12 0.00 1.43 0.00 0.00 31.44 31.09 1bc3 n GLU 129 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1bc3 n GLU 130 N -2.04 0.65 0.00 3.44 -0.58 -0.43 -4.63 120.64 117.05 1bc3 n GLU 130 Ca 0.04 0.20 0.06 0.00 -0.42 0.00 0.00 57.16 57.05 1bc3 n GLU 130 Cb 0.30 -1.55 0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1bc3 n GLU 130 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1bc3 n TYR 131 N -3.51 0.00 -1.87 -0.32 4.01 0.42 -4.99 117.16 110.89 1bc3 n TYR 131 Ca -0.45 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.11 1bc3 n TYR 131 Cb 0.97 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.95 1bc3 n TYR 131 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bc3 n GLY 132 N 0.85 0.85 3.28 2.72 0.00 0.62 -4.98 105.19 108.53 1bc3 n GLY 132 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1bc3 n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bc3 s SER 133 N -2.54 1.98 -0.17 1.61 0.01 -1.25 -5.05 113.70 108.29 1bc3 s SER 133 Ca 0.00 -1.02 -0.17 0.00 1.31 0.00 0.00 55.95 56.07 1bc3 s SER 133 Cb 0.00 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 1bc3 s SER 133 CO 0.00 -0.30 0.42 0.21 0.41 0.00 0.00 173.24 173.99 1bc3 s ASN 134 N -3.21 6.52 0.19 2.44 3.84 -1.26 -3.55 114.94 119.91 1bc3 s ASN 134 Ca 0.18 0.62 -0.13 0.00 0.21 0.00 0.00 52.86 53.74 1bc3 s ASN 134 Cb 0.02 -2.25 0.19 0.00 -0.55 0.00 0.00 41.25 38.66 1bc3 s ASN 134 CO 0.02 -0.05 1.73 0.25 -2.79 0.00 0.00 177.10 176.27 1bc3 h LEU 135 N 7.32 0.10 -0.14 3.21 5.85 -1.93 -1.83 115.31 127.89 1bc3 h LEU 135 Ca -0.38 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.43 1bc3 h LEU 135 Cb 1.17 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1bc3 h LEU 135 CO 0.74 0.08 0.05 -0.08 -0.34 0.00 0.00 178.44 178.89 1bc3 h GLU 136 N 0.30 0.11 -0.92 1.25 4.81 -1.97 -0.87 114.58 117.29 1bc3 h GLU 136 Ca 0.25 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1bc3 h GLU 136 Cb 0.30 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 1bc3 h GLU 136 CO -0.28 0.07 0.56 -0.44 -0.73 0.00 0.00 179.01 178.19 1bc3 h ASP 137 N 0.11 0.85 -0.34 1.04 3.32 -1.88 0.20 116.42 119.73 1bc3 h ASP 137 Ca 0.06 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1bc3 h ASP 137 Cb 0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1bc3 h ASP 137 CO -0.06 0.50 -0.04 0.44 -1.72 0.00 0.00 179.24 178.36 1bc3 h ASP 138 N 0.96 0.62 0.09 6.45 3.32 -0.91 -1.22 116.42 125.74 1bc3 h ASP 138 Ca 0.43 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1bc3 h ASP 138 Cb 0.32 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1bc3 h ASP 138 CO -0.22 0.81 -0.05 0.58 -1.72 0.00 0.00 179.24 178.64 1bc3 h VAL 139 N 0.42 0.99 -0.69 -1.35 2.07 -0.54 -1.84 116.25 115.30 1bc3 h VAL 139 Ca 0.09 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.41 1bc3 h VAL 139 Cb 0.52 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 1bc3 h VAL 139 CO 0.03 0.07 0.34 0.58 0.02 0.00 0.00 177.57 178.60 1bc3 h VAL 140 N -0.26 0.84 0.00 2.57 2.07 -0.96 0.26 116.25 120.78 1bc3 h VAL 140 Ca -0.01 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1bc3 h VAL 140 Cb 0.21 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1bc3 h VAL 140 CO 0.02 0.11 -0.14 1.23 0.02 0.00 0.00 177.57 178.81 1bc3 h GLY 141 N 0.58 0.00 -0.80 2.17 0.00 -0.95 -3.10 103.07 100.97 1bc3 h GLY 141 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1bc3 h GLY 141 CO -0.27 0.00 -0.35 1.22 0.00 0.00 0.00 176.54 177.15 1bc3 n ASP 142 N -3.62 1.72 -4.47 0.19 8.00 -0.38 -5.01 116.55 112.98 1bc3 n ASP 142 Ca -0.02 -1.36 -0.22 0.00 0.71 0.00 0.00 54.79 53.90 1bc3 n ASP 142 Cb 0.27 0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 41.71 1bc3 n ASP 142 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bc3 s THR 143 N -1.97 1.51 0.27 -3.53 -4.23 -0.06 -4.90 115.64 102.73 1bc3 s THR 143 Ca 0.14 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1bc3 s THR 143 Cb 0.14 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1bc3 s THR 143 CO 0.42 -0.12 0.25 -0.54 -0.54 0.00 0.00 174.62 174.09 1bc3 s LYS 144 N -3.79 1.54 3.27 3.99 1.02 -1.26 -4.82 119.74 119.68 1bc3 s LYS 144 Ca 0.33 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.52 1bc3 s LYS 144 Cb 0.07 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 1bc3 s LYS 144 CO 0.14 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 1bc3 n GLY 145 N -0.46 1.22 0.25 -3.33 0.00 -1.26 -2.08 105.19 99.53 1bc3 n GLY 145 Ca 0.04 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.64 1bc3 n GLY 145 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bc3 h TYR 146 N 0.00 0.00 -0.02 1.61 0.05 -2.00 -2.92 116.97 113.69 1bc3 h TYR 146 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1bc3 h TYR 146 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1bc3 h TYR 146 CO 0.00 0.02 0.01 -0.92 -1.05 0.00 0.00 178.16 176.21 1bc3 h TYR 147 N 0.00 0.04 -0.74 4.88 3.20 -1.93 -1.31 116.97 121.10 1bc3 h TYR 147 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1bc3 h TYR 147 Cb 0.77 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 1bc3 h TYR 147 CO 0.00 0.24 0.49 0.37 -1.64 0.00 0.00 178.16 177.62 1bc3 h GLN 148 N -0.18 0.96 -0.55 1.82 4.15 -1.33 -1.87 115.11 118.11 1bc3 h GLN 148 Ca 0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1bc3 h GLN 148 Cb 0.22 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1bc3 h GLN 148 CO -0.00 0.63 0.34 0.00 -1.93 0.00 0.00 178.83 177.88 1bc3 h ARG 149 N 0.99 0.74 -0.66 1.69 -0.00 -1.35 -1.01 114.38 114.78 1bc3 h ARG 149 Ca 0.28 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.98 59.63 1bc3 h ARG 149 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 29.97 29.70 1bc3 h ARG 149 CO -0.07 0.52 0.15 1.98 0.00 0.00 0.00 179.97 182.54 1bc3 h MET 150 N 0.74 1.05 -0.41 0.04 4.05 -0.96 -0.58 114.93 118.85 1bc3 h MET 150 Ca 0.20 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 1bc3 h MET 150 Cb -0.04 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 1bc3 h MET 150 CO -0.04 0.93 0.05 -0.07 0.23 0.00 0.00 176.91 178.01 1bc3 h LEU 151 N 0.99 0.67 -0.79 3.39 3.38 -1.01 -1.85 115.31 120.09 1bc3 h LEU 151 Ca 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1bc3 h LEU 151 Cb 0.37 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1bc3 h LEU 151 CO 0.00 0.77 0.27 0.58 0.09 0.00 0.00 178.44 180.15 1bc3 h VAL 152 N 0.54 1.26 -0.48 1.22 2.07 -0.93 0.23 116.25 120.16 1bc3 h VAL 152 Ca 0.12 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1bc3 h VAL 152 Cb 0.40 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1bc3 h VAL 152 CO 0.01 0.35 0.31 0.58 0.02 0.00 0.00 177.57 178.84 1bc3 h VAL 153 N 1.13 1.13 -0.47 2.57 2.07 -0.97 -2.53 116.25 119.19 1bc3 h VAL 153 Ca 0.25 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1bc3 h VAL 153 Cb 0.27 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1bc3 h VAL 153 CO -0.01 0.13 0.11 -0.07 0.02 0.00 0.00 177.57 177.75 1bc3 h LEU 154 N 0.65 0.71 -1.36 2.57 4.07 -0.78 -2.65 115.31 118.52 1bc3 h LEU 154 Ca 0.18 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1bc3 h LEU 154 Cb -0.06 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.50 1bc3 h LEU 154 CO -0.04 0.75 0.00 -0.07 -1.08 0.00 0.00 178.44 178.01 1bc3 h LEU 155 N 0.63 0.00 -0.76 1.67 3.38 -0.22 -0.48 115.31 119.53 1bc3 h LEU 155 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1bc3 h LEU 155 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1bc3 h LEU 155 CO 0.00 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.09 1bc3 h GLN 156 N 0.00 0.00 -6.58 1.13 1.08 -1.08 -3.47 115.11 106.20 1bc3 h GLN 156 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1bc3 h GLN 156 Cb 0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.35 1bc3 h GLN 156 CO 0.00 0.00 -0.80 0.00 -0.95 0.00 0.00 178.83 177.08 1bc3 n ALA 157 N -1.88 -1.24 -1.60 3.87 0.00 -0.19 -4.86 120.51 114.61 1bc3 n ALA 157 Ca 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1bc3 n ALA 157 Cb 0.30 -3.70 0.16 0.00 0.00 0.00 0.00 19.45 16.21 1bc3 n ALA 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bc3 n ASN 158 N -2.66 3.02 -4.71 0.00 3.02 -1.26 -4.83 115.26 107.84 1bc3 n ASN 158 Ca 0.07 -3.82 -0.39 0.00 -0.03 0.00 0.00 54.58 50.41 1bc3 n ASN 158 Cb 0.50 -0.57 0.04 0.00 -0.61 0.00 0.00 39.78 39.14 1bc3 n ASN 158 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1bc3 n ARG 159 N -1.03 1.48 -1.81 3.52 0.63 -1.26 -4.90 116.66 113.28 1bc3 n ARG 159 Ca 0.33 0.55 -0.39 0.00 -0.92 0.00 0.00 57.85 57.43 1bc3 n ARG 159 Cb 0.91 -2.45 0.03 0.00 0.45 0.00 0.00 32.46 31.40 1bc3 n ARG 159 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1bc3 s ASP 160 N -0.99 5.45 0.88 6.15 1.01 0.85 -4.91 116.67 125.11 1bc3 s ASP 160 Ca 0.72 2.78 -0.12 0.00 0.71 0.00 0.00 52.55 56.65 1bc3 s ASP 160 Cb -0.43 -2.64 0.12 0.00 1.01 0.00 0.00 42.92 40.98 1bc3 s ASP 160 CO 0.49 -1.45 1.10 -2.16 0.21 0.00 0.00 175.17 173.36 1bc3 s PRO 161 N -2.79 1.40 -0.37 8.23 0.04 -1.26 -3.78 135.00 136.47 1bc3 s PRO 161 Ca 0.69 0.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 1bc3 s PRO 161 Cb -0.41 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1bc3 s PRO 161 CO 0.49 -2.12 0.64 -0.51 0.04 0.00 0.00 177.00 175.54 1bc3 s ASP 162 N -3.58 6.40 0.07 6.66 1.11 -1.26 -4.59 116.67 121.47 1bc3 s ASP 162 Ca 0.63 0.05 0.00 0.00 0.18 0.00 0.00 52.55 53.42 1bc3 s ASP 162 Cb -0.17 -2.32 -0.00 0.00 1.07 0.00 0.00 42.92 41.50 1bc3 s ASP 162 CO 0.56 -0.63 0.01 0.41 1.18 0.00 0.00 175.17 176.71 1bc3 n THR 163 N 5.64 0.00 -1.73 -1.27 -1.04 -1.26 -5.09 114.28 109.52 1bc3 n THR 163 Ca -0.01 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 1bc3 n THR 163 Cb 0.48 0.10 -0.02 0.00 -1.82 0.00 0.00 70.33 69.08 1bc3 n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bc3 n ALA 164 N -2.74 2.23 -2.29 2.41 0.00 -1.26 -4.92 120.51 113.95 1bc3 n ALA 164 Ca -0.03 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1bc3 n ALA 164 Cb 0.09 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 1bc3 n ALA 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bc3 s ILE 165 N -0.13 4.05 -0.44 0.00 1.09 -1.26 -5.00 121.20 119.51 1bc3 s ILE 165 Ca 0.64 1.60 -0.14 0.00 -1.10 0.00 0.00 60.65 61.65 1bc3 s ILE 165 Cb -0.53 -4.03 0.06 0.00 -1.06 0.00 0.00 42.46 36.91 1bc3 s ILE 165 CO 0.50 0.20 0.33 -0.62 -0.10 0.00 0.00 174.94 175.25 1bc3 s ASP 166 N 0.50 6.00 0.33 3.58 2.15 -1.26 -4.99 116.67 122.99 1bc3 s ASP 166 Ca 0.53 -1.23 0.04 0.00 0.43 0.00 0.00 52.55 52.33 1bc3 s ASP 166 Cb -0.28 -2.13 0.66 0.00 -0.30 0.00 0.00 42.92 40.87 1bc3 s ASP 166 CO 0.32 -0.56 1.92 0.44 -0.17 0.00 0.00 175.17 177.12 1bc3 h ASP 167 N 8.63 0.77 -0.22 -0.34 3.32 -1.99 -0.54 116.42 126.05 1bc3 h ASP 167 Ca -0.27 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 1bc3 h ASP 167 Cb 1.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1bc3 h ASP 167 CO 0.80 0.47 -0.02 0.00 -1.72 0.00 0.00 179.24 178.77 1bc3 h ALA 168 N 1.56 1.33 -0.24 3.45 0.00 -1.99 -0.78 119.26 122.59 1bc3 h ALA 168 Ca 0.38 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1bc3 h ALA 168 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bc3 h ALA 168 CO -0.15 0.46 -0.42 0.37 0.00 0.00 0.00 179.25 179.51 1bc3 h GLN 169 N 0.51 0.59 -0.43 0.00 5.75 -1.57 -0.30 115.11 119.66 1bc3 h GLN 169 Ca 0.11 -0.31 -0.11 0.00 -0.15 0.00 0.00 58.65 58.19 1bc3 h GLN 169 Cb 0.37 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1bc3 h GLN 169 CO 0.01 0.90 -0.16 0.28 -2.65 0.00 0.00 178.83 177.22 1bc3 h VAL 170 N 0.48 1.28 -0.43 2.39 2.07 -0.56 -1.99 116.25 119.49 1bc3 h VAL 170 Ca 0.04 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1bc3 h VAL 170 Cb 0.93 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1bc3 h VAL 170 CO 0.08 0.44 0.14 -0.33 0.02 0.00 0.00 177.57 177.92 1bc3 h GLU 171 N 0.69 0.66 -0.16 1.57 5.08 -0.99 -1.88 114.58 119.55 1bc3 h GLU 171 Ca 0.10 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1bc3 h GLU 171 Cb 0.71 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1bc3 h GLU 171 CO 0.05 0.64 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.63 1bc3 h LEU 172 N 0.55 -0.08 -0.67 1.33 3.38 -0.96 -1.86 115.31 116.99 1bc3 h LEU 172 Ca 0.14 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1bc3 h LEU 172 Cb 0.25 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1bc3 h LEU 172 CO -0.01 -0.02 -0.08 0.44 0.09 0.00 0.00 178.44 178.86 1bc3 h ASP 173 N 0.04 0.94 -0.42 -0.43 3.32 -1.28 -0.75 116.42 117.84 1bc3 h ASP 173 Ca 0.08 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1bc3 h ASP 173 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1bc3 h ASP 173 CO -0.14 1.04 0.12 0.00 -1.72 0.00 0.00 179.24 178.54 1bc3 h ALA 174 N 1.04 0.55 -0.54 3.45 0.00 -1.19 -1.43 119.26 121.14 1bc3 h ALA 174 Ca 0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1bc3 h ALA 174 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1bc3 h ALA 174 CO 0.04 0.21 -0.06 0.37 0.00 0.00 0.00 179.25 179.81 1bc3 h GLN 175 N 0.53 0.97 -0.37 0.00 5.75 -1.28 -1.56 115.11 119.15 1bc3 h GLN 175 Ca 0.13 -0.32 0.03 0.00 -0.15 0.00 0.00 58.65 58.34 1bc3 h GLN 175 Cb 0.28 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1bc3 h GLN 175 CO -0.00 0.99 0.19 0.00 -2.65 0.00 0.00 178.83 177.36 1bc3 h ALA 176 N 1.05 0.46 -0.49 3.38 0.00 -0.85 0.08 119.26 122.88 1bc3 h ALA 176 Ca 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1bc3 h ALA 176 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1bc3 h ALA 176 CO 0.04 -0.17 0.07 -0.07 0.00 0.00 0.00 179.25 179.11 1bc3 h LEU 177 N 0.39 0.73 -0.03 0.00 3.38 -1.08 0.02 115.31 118.72 1bc3 h LEU 177 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bc3 h LEU 177 Cb 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1bc3 h LEU 177 CO -0.10 0.76 0.01 0.15 0.09 0.00 0.00 178.44 179.35 1bc3 h PHE 178 N 0.74 0.05 0.00 1.13 3.57 -0.60 -2.38 116.94 119.44 1bc3 h PHE 178 Ca 0.16 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1bc3 h PHE 178 Cb 0.35 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1bc3 h PHE 178 CO 0.02 0.16 -0.43 1.96 -2.23 0.00 0.00 178.31 177.80 1bc3 h GLN 179 N -0.09 0.00 0.00 1.11 4.20 -0.77 -2.46 115.11 117.10 1bc3 h GLN 179 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1bc3 h GLN 179 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1bc3 h GLN 179 CO -0.00 0.43 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 1bc3 h ALA 180 N 1.57 1.00 -3.00 3.87 0.00 -0.84 -3.26 119.26 118.60 1bc3 h ALA 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bc3 h ALA 180 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1bc3 h ALA 180 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1bc3 n GLY 181 N 0.78 0.43 0.31 0.00 0.00 -0.91 -1.59 105.19 104.21 1bc3 n GLY 181 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1bc3 n GLY 181 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bc3 h GLU 182 N 0.00 0.59 -0.06 1.61 4.39 -1.73 -1.20 114.58 118.18 1bc3 h GLU 182 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1bc3 h GLU 182 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1bc3 h GLU 182 CO 0.00 0.39 0.00 1.28 -1.16 0.00 0.00 179.01 179.52 1bc3 n LEU 183 N -4.88 1.03 -4.65 1.33 4.77 -0.95 -4.87 117.00 108.78 1bc3 n LEU 183 Ca 0.17 -0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 1bc3 n LEU 183 Cb 0.45 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1bc3 n LEU 183 CO 0.20 0.19 -0.34 -0.75 -1.33 0.00 0.00 177.39 175.36 1bc3 s LYS 184 N -1.93 2.71 -0.56 3.23 2.20 -0.46 -4.99 119.74 119.95 1bc3 s LYS 184 Ca 0.36 -0.64 -0.27 0.00 -0.36 0.00 0.00 55.97 55.06 1bc3 s LYS 184 Cb 0.19 -2.62 0.03 0.00 -1.51 0.00 0.00 37.83 33.92 1bc3 s LYS 184 CO 0.30 0.62 1.11 -0.46 -0.36 0.00 0.00 175.35 176.56 1bc3 s TRP 185 N -1.03 2.69 0.00 4.03 -0.00 -1.26 -4.70 118.94 118.67 1bc3 s TRP 185 Ca 0.18 0.34 0.00 0.00 -0.00 0.00 0.00 56.10 56.62 1bc3 s TRP 185 Cb -0.11 -4.36 0.00 0.00 -0.00 0.00 0.00 33.47 28.99 1bc3 s TRP 185 CO 0.08 -1.47 0.00 0.41 -0.00 0.00 0.00 176.95 175.98 1bc3 n GLY 186 N 5.05 -1.72 2.93 5.86 0.00 -1.26 -5.00 105.19 111.05 1bc3 n GLY 186 Ca 0.07 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 1bc3 n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bc3 s THR 187 N 0.00 0.05 -1.06 2.61 2.01 -1.26 -4.78 115.64 113.21 1bc3 s THR 187 Ca 0.00 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 1bc3 s THR 187 Cb 0.00 -0.14 0.26 0.00 0.01 0.00 0.00 72.50 72.63 1bc3 s THR 187 CO 0.00 -0.22 1.04 -0.62 -0.69 0.00 0.00 174.62 174.13 1bc3 s ASP 188 N -0.66 7.21 0.32 3.53 -1.08 -0.62 -4.86 116.67 120.51 1bc3 s ASP 188 Ca -0.07 -3.40 0.00 0.00 -0.52 0.00 0.00 52.55 48.56 1bc3 s ASP 188 Cb -0.05 -2.21 0.52 0.00 -1.46 0.00 0.00 42.92 39.73 1bc3 s ASP 188 CO -0.00 -0.35 1.96 -0.33 0.52 0.00 0.00 175.17 176.96 1bc3 h GLU 189 N 6.91 0.92 -0.99 4.34 3.07 -1.97 -2.05 114.58 124.80 1bc3 h GLU 189 Ca 0.17 -0.08 0.15 0.00 -0.50 0.00 0.00 59.36 59.10 1bc3 h GLU 189 Cb 0.91 -0.19 -0.09 0.00 -0.84 0.00 0.00 28.75 28.53 1bc3 h GLU 189 CO 0.96 0.65 0.62 1.49 -1.40 0.00 0.00 179.01 181.33 1bc3 h GLU 190 N 0.93 0.83 -0.48 2.33 4.81 -1.99 -0.58 114.58 120.43 1bc3 h GLU 190 Ca 0.24 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1bc3 h GLU 190 Cb -0.03 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1bc3 h GLU 190 CO -0.05 0.55 0.01 -0.22 -0.73 0.00 0.00 179.01 178.58 1bc3 h LYS 191 N 0.86 0.84 -0.35 1.92 1.63 -1.79 -2.30 116.57 117.39 1bc3 h LYS 191 Ca 0.52 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 60.02 1bc3 h LYS 191 Cb 0.69 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1bc3 h LYS 191 CO -0.30 0.88 0.09 0.74 -3.45 0.00 0.00 179.45 177.41 1bc3 h PHE 192 N 0.70 0.59 -0.03 1.91 -1.00 -1.21 -2.44 116.94 115.46 1bc3 h PHE 192 Ca 0.14 -0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.85 1bc3 h PHE 192 Cb 0.50 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1bc3 h PHE 192 CO 0.04 0.59 -0.00 0.82 -1.61 0.00 0.00 178.31 178.15 1bc3 h ILE 193 N 0.41 0.98 -0.05 -0.55 2.04 -1.09 0.19 117.51 119.43 1bc3 h ILE 193 Ca 0.11 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1bc3 h ILE 193 Cb 0.30 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1bc3 h ILE 193 CO 0.00 0.00 0.03 0.74 0.00 0.00 0.00 178.15 178.92 1bc3 h THR 194 N 0.01 1.00 0.01 -0.27 2.02 -1.40 0.41 112.91 114.70 1bc3 h THR 194 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1bc3 h THR 194 Cb 0.02 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1bc3 h THR 194 CO -0.03 0.01 -0.01 0.40 0.37 0.00 0.00 175.52 176.27 1bc3 h ILE 195 N 0.06 1.32 -0.14 3.11 2.04 -1.34 -1.44 117.51 121.12 1bc3 h ILE 195 Ca 0.02 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 1bc3 h ILE 195 Cb -0.00 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1bc3 h ILE 195 CO -0.01 0.27 -0.41 -0.07 0.00 0.00 0.00 178.15 177.93 1bc3 h LEU 196 N -0.47 0.33 0.00 1.44 4.07 -0.65 -2.89 115.31 117.15 1bc3 h LEU 196 Ca -0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1bc3 h LEU 196 Cb 0.45 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 1bc3 h LEU 196 CO 0.00 0.71 -0.72 1.23 -1.08 0.00 0.00 178.44 178.58 1bc3 h GLY 197 N 1.19 0.00 0.00 0.83 0.00 -0.20 -3.41 103.07 101.47 1bc3 h GLY 197 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1bc3 h GLY 197 CO 0.07 0.00 -0.70 -1.30 0.00 0.00 0.00 176.54 174.61 1bc3 n THR 198 N -2.80 0.00 -2.30 4.70 -2.24 -0.54 -4.64 114.28 106.45 1bc3 n THR 198 Ca 0.01 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1bc3 n THR 198 Cb 0.55 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 1bc3 n THR 198 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bc3 s ARG 199 N -1.71 3.59 0.79 -0.78 1.81 -1.09 -0.11 118.95 121.46 1bc3 s ARG 199 Ca -0.00 1.25 -0.13 0.00 -1.72 0.00 0.00 55.73 55.13 1bc3 s ARG 199 Cb 0.00 -2.07 0.07 0.00 -0.45 0.00 0.00 34.95 32.50 1bc3 s ARG 199 CO 0.01 -0.59 1.16 -1.54 -0.68 0.00 0.00 175.30 173.66 1bc3 s SER 200 N -2.46 3.90 0.19 0.23 1.04 -1.25 -4.38 113.70 110.96 1bc3 s SER 200 Ca 0.65 2.20 -0.10 0.00 0.48 0.00 0.00 55.95 59.18 1bc3 s SER 200 Cb -0.15 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.49 1bc3 s SER 200 CO 0.29 -2.45 1.72 0.58 0.98 0.00 0.00 173.24 174.35 1bc3 h VAL 201 N -0.89 1.25 -0.60 5.02 2.07 -1.90 -2.03 116.25 119.16 1bc3 h VAL 201 Ca -0.45 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 1bc3 h VAL 201 Cb 1.27 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1bc3 h VAL 201 CO 0.48 0.33 0.05 0.77 0.02 0.00 0.00 177.57 179.22 1bc3 h SER 202 N 0.96 0.97 -0.17 0.57 4.64 -1.93 -2.27 113.55 116.32 1bc3 h SER 202 Ca 0.21 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1bc3 h SER 202 Cb 0.29 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1bc3 h SER 202 CO -0.01 0.99 0.06 -0.74 -0.87 0.00 0.00 176.83 176.27 1bc3 h HIS 203 N 0.94 0.27 -0.34 4.77 6.17 -1.88 -3.05 115.15 122.02 1bc3 h HIS 203 Ca 0.18 -0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.20 1bc3 h HIS 203 Cb 0.47 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 1bc3 h HIS 203 CO 0.03 0.36 0.08 -0.07 0.71 0.00 0.00 177.93 179.04 1bc3 h LEU 204 N 0.11 0.45 -0.86 0.26 3.38 -1.26 -0.94 115.31 116.46 1bc3 h LEU 204 Ca 0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bc3 h LEU 204 Cb 0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1bc3 h LEU 204 CO -0.00 0.47 0.48 0.03 0.09 0.00 0.00 178.44 179.50 1bc3 h ARG 205 N 0.49 1.20 -0.27 1.13 3.08 -1.31 0.17 114.38 118.87 1bc3 h ARG 205 Ca 0.12 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1bc3 h ARG 205 Cb 0.20 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1bc3 h ARG 205 CO -0.00 0.88 -0.45 0.00 -1.07 0.00 0.00 179.97 179.33 1bc3 h ARG 206 N 1.20 0.69 -0.79 0.04 2.47 -1.31 -2.94 114.38 113.75 1bc3 h ARG 206 Ca 0.30 -0.38 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 1bc3 h ARG 206 Cb 0.02 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 1bc3 h ARG 206 CO -0.05 1.00 0.30 0.28 0.56 0.00 0.00 179.97 182.06 1bc3 h VAL 207 N 0.56 1.26 -0.76 2.04 2.07 -0.40 -1.42 116.25 119.60 1bc3 h VAL 207 Ca 0.04 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1bc3 h VAL 207 Cb 0.99 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1bc3 h VAL 207 CO 0.09 0.34 0.41 -0.26 0.02 0.00 0.00 177.57 178.18 1bc3 h PHE 208 N 1.15 1.04 -0.10 1.57 0.04 -0.57 0.11 116.94 120.19 1bc3 h PHE 208 Ca 0.26 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 1bc3 h PHE 208 Cb 0.24 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1bc3 h PHE 208 CO 0.02 0.73 -0.20 -0.44 -0.60 0.00 0.00 178.31 177.82 1bc3 h ASP 209 N 1.07 0.34 -0.40 2.17 5.19 -1.32 -2.77 116.42 120.70 1bc3 h ASP 209 Ca 0.27 -0.57 -0.04 0.00 -0.62 0.00 0.00 57.03 56.08 1bc3 h ASP 209 Cb 0.04 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1bc3 h ASP 209 CO -0.04 0.85 0.14 0.50 -3.12 0.00 0.00 179.24 177.57 1bc3 h LYS 210 N -0.15 0.69 -0.57 3.56 1.63 -1.04 -1.99 116.57 118.70 1bc3 h LYS 210 Ca 0.00 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1bc3 h LYS 210 Cb 0.79 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1bc3 h LYS 210 CO 0.04 0.61 0.15 -0.92 -3.45 0.00 0.00 179.45 175.88 1bc3 h TYR 211 N 0.67 0.90 -0.12 1.91 3.20 -0.76 -1.67 116.97 121.10 1bc3 h TYR 211 Ca 0.16 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1bc3 h TYR 211 Cb 0.21 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1bc3 h TYR 211 CO 0.01 0.74 0.04 1.98 -1.64 0.00 0.00 178.16 179.29 1bc3 h MET 212 N 0.84 0.20 -0.46 1.82 4.05 -1.08 -1.13 114.93 119.16 1bc3 h MET 212 Ca 0.19 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.60 1bc3 h MET 212 Cb 0.28 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 1bc3 h MET 212 CO -0.00 0.34 0.24 1.15 0.23 0.00 0.00 176.91 178.87 1bc3 h THR 213 N 0.01 0.98 -0.28 -0.77 2.02 -1.15 0.74 112.91 114.47 1bc3 h THR 213 Ca 0.04 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1bc3 h THR 213 Cb 0.23 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1bc3 h THR 213 CO -0.00 0.09 -0.22 0.40 0.37 0.00 0.00 175.52 176.16 1bc3 h ILE 214 N 0.48 1.30 0.00 3.11 2.04 -1.26 -3.37 117.51 119.81 1bc3 h ILE 214 Ca 0.20 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 1bc3 h ILE 214 Cb 0.09 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1bc3 h ILE 214 CO -0.13 0.43 -2.06 -1.54 0.00 0.00 0.00 178.15 174.86 1bc3 n SER 215 N -4.34 0.19 0.00 1.72 3.41 -0.43 -4.98 113.62 109.20 1bc3 n SER 215 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1bc3 n SER 215 Cb 0.43 1.71 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 1bc3 n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bc3 n GLY 216 N 1.43 1.01 3.53 5.00 0.00 0.26 -5.02 105.19 111.40 1bc3 n GLY 216 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1bc3 n GLY 216 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bc3 s PHE 217 N -3.54 2.70 0.39 1.61 0.08 -1.25 -5.02 117.98 112.96 1bc3 s PHE 217 Ca 0.00 -0.16 -0.18 0.00 0.12 0.00 0.00 56.93 56.70 1bc3 s PHE 217 Cb 0.00 -1.50 -0.10 0.00 -0.57 0.00 0.00 43.02 40.85 1bc3 s PHE 217 CO 0.00 0.33 0.86 -0.65 -0.10 0.00 0.00 175.22 175.67 1bc3 s GLN 218 N -1.63 4.14 0.48 0.44 -1.52 -1.26 -3.60 119.66 116.70 1bc3 s GLN 218 Ca 0.17 0.93 0.21 0.00 -1.95 0.00 0.00 55.36 54.73 1bc3 s GLN 218 Cb -0.11 -2.28 1.24 0.00 -0.22 0.00 0.00 33.01 31.64 1bc3 s GLN 218 CO 0.08 0.04 1.94 0.97 -0.25 0.00 0.00 175.29 178.08 1bc3 h ILE 219 N 1.92 0.74 -0.60 1.08 6.09 -1.93 -0.98 117.51 123.84 1bc3 h ILE 219 Ca -0.49 -0.07 -0.04 0.00 -1.37 0.00 0.00 64.86 62.89 1bc3 h ILE 219 Cb 1.18 0.51 -0.03 0.00 0.47 0.00 0.00 36.82 38.95 1bc3 h ILE 219 CO 0.63 0.04 0.20 -0.33 -3.07 0.00 0.00 178.15 175.61 1bc3 h GLU 220 N 0.21 0.89 -0.46 2.19 3.07 -1.98 -0.68 114.58 117.81 1bc3 h GLU 220 Ca 0.34 -0.16 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 1bc3 h GLU 220 Cb 1.03 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1bc3 h GLU 220 CO -0.06 0.76 -0.15 0.93 -1.40 0.00 0.00 179.01 179.08 1bc3 h GLU 221 N 0.87 0.92 -0.48 2.33 5.08 -1.55 -1.30 114.58 120.45 1bc3 h GLU 221 Ca 0.20 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1bc3 h GLU 221 Cb 0.24 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1bc3 h GLU 221 CO -0.01 1.03 0.14 1.15 -1.00 0.00 0.00 179.01 180.32 1bc3 h THR 222 N 0.77 1.23 -0.49 1.13 2.02 -1.27 0.93 112.91 117.23 1bc3 h THR 222 Ca 0.11 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1bc3 h THR 222 Cb 0.72 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1bc3 h THR 222 CO 0.05 0.28 0.28 0.40 0.37 0.00 0.00 175.52 176.90 1bc3 h ILE 223 N 0.64 1.02 -0.19 3.11 2.04 -0.94 0.82 117.51 124.01 1bc3 h ILE 223 Ca 0.15 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 1bc3 h ILE 223 Cb 0.28 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1bc3 h ILE 223 CO -0.00 0.10 -0.20 -0.78 0.00 0.00 0.00 178.15 177.27 1bc3 h ASP 224 N 0.55 0.31 0.79 1.72 3.58 -0.90 0.50 116.42 122.98 1bc3 h ASP 224 Ca 0.20 -0.09 -0.23 0.00 0.42 0.00 0.00 57.03 57.34 1bc3 h ASP 224 Cb 0.06 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1bc3 h ASP 224 CO -0.11 0.53 -1.05 0.03 -2.88 0.00 0.00 179.24 175.76 1bc3 h ARG 225 N 0.30 0.13 0.08 0.28 3.08 0.57 -3.38 114.38 115.43 1bc3 h ARG 225 Ca 0.05 -0.20 -0.34 0.00 0.07 0.00 0.00 59.98 59.57 1bc3 h ARG 225 Cb 0.52 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1bc3 h ARG 225 CO 0.03 1.06 -1.91 0.39 -1.07 0.00 0.00 179.97 178.48 1bc3 n GLU 226 N -3.48 0.71 -4.41 0.04 -0.58 0.27 -5.01 120.64 108.18 1bc3 n GLU 226 Ca -0.04 0.27 -0.29 0.00 -0.42 0.00 0.00 57.16 56.69 1bc3 n GLU 226 Cb 0.94 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 30.01 1bc3 n GLU 226 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1bc3 s THR 227 N -2.57 1.65 0.11 2.62 -4.23 0.15 -4.89 115.64 108.49 1bc3 s THR 227 Ca -0.16 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.32 1bc3 s THR 227 Cb 0.07 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.49 1bc3 s THR 227 CO 0.79 0.00 0.52 -1.59 -0.54 0.00 0.00 174.62 173.80 1bc3 s LYS 228 N -3.95 1.15 2.92 3.99 -2.85 -1.26 -4.70 119.74 115.04 1bc3 s LYS 228 Ca 0.24 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 1bc3 s LYS 228 Cb 0.03 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1bc3 s LYS 228 CO 0.14 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1bc3 n GLY 229 N -0.10 -0.40 0.31 0.59 0.00 -1.26 -3.71 105.19 100.62 1bc3 n GLY 229 Ca -0.17 -1.08 0.02 0.00 0.00 0.00 0.00 46.02 44.79 1bc3 n GLY 229 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bc3 h ASN 230 N 6.09 0.69 -0.76 1.61 2.35 -2.01 -1.74 115.58 121.81 1bc3 h ASN 230 Ca 0.00 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1bc3 h ASN 230 Cb 0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1bc3 h ASN 230 CO 0.00 0.40 0.50 0.25 -1.65 0.00 0.00 177.43 176.93 1bc3 h LEU 231 N 0.81 0.85 0.07 1.61 5.85 -1.95 0.32 115.31 122.87 1bc3 h LEU 231 Ca 0.39 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 1bc3 h LEU 231 Cb 0.33 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1bc3 h LEU 231 CO -0.24 0.61 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.36 1bc3 h GLU 232 N 1.01 -0.08 -0.48 1.25 4.81 -1.43 0.06 114.58 119.72 1bc3 h GLU 232 Ca 0.28 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 1bc3 h GLU 232 Cb -0.09 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1bc3 h GLU 232 CO -0.07 -0.02 0.16 -0.91 -0.73 0.00 0.00 179.01 177.43 1bc3 h ASN 233 N -0.12 0.15 0.21 1.04 2.35 -0.94 -0.90 115.58 117.36 1bc3 h ASN 233 Ca -0.01 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1bc3 h ASN 233 Cb 0.10 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1bc3 h ASN 233 CO 0.01 0.11 -0.10 0.25 -1.65 0.00 0.00 177.43 176.06 1bc3 h LEU 234 N 0.33 -0.24 -1.27 1.61 6.46 -0.72 -1.11 115.31 120.36 1bc3 h LEU 234 Ca 0.23 -0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1bc3 h LEU 234 Cb 0.25 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 1bc3 h LEU 234 CO -0.24 -0.10 0.52 -0.07 -0.62 0.00 0.00 178.44 177.93 1bc3 h LEU 235 N -0.37 0.79 -0.53 2.25 3.38 -0.67 0.79 115.31 120.95 1bc3 h LEU 235 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1bc3 h LEU 235 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1bc3 h LEU 235 CO 0.05 0.52 -0.40 -0.07 0.09 0.00 0.00 178.44 178.62 1bc3 h LEU 236 N 0.90 0.80 -0.44 1.67 3.38 -1.03 -1.32 115.31 119.27 1bc3 h LEU 236 Ca 0.34 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1bc3 h LEU 236 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1bc3 h LEU 236 CO -0.11 1.10 0.13 0.00 0.09 0.00 0.00 178.44 179.65 1bc3 h ALA 237 N 0.93 0.58 -0.03 1.53 0.00 0.18 0.13 119.26 122.59 1bc3 h ALA 237 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bc3 h ALA 237 Cb 0.95 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1bc3 h ALA 237 CO 0.09 0.24 0.01 0.28 0.00 0.00 0.00 179.25 179.87 1bc3 h VAL 238 N 0.58 1.13 -0.23 0.00 2.07 -0.83 0.71 116.25 119.68 1bc3 h VAL 238 Ca 0.14 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1bc3 h VAL 238 Cb 0.28 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1bc3 h VAL 238 CO -0.00 0.11 0.08 0.58 0.02 0.00 0.00 177.57 178.35 1bc3 h VAL 239 N -0.12 0.94 -0.69 2.57 2.07 -1.12 0.14 116.25 120.03 1bc3 h VAL 239 Ca 0.01 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1bc3 h VAL 239 Cb 0.16 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1bc3 h VAL 239 CO -0.00 0.03 0.44 0.11 0.02 0.00 0.00 177.57 178.17 1bc3 h LYS 240 N 0.18 0.93 -0.29 1.57 1.57 -0.61 -2.09 116.57 117.84 1bc3 h LYS 240 Ca 0.10 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1bc3 h LYS 240 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1bc3 h LYS 240 CO -0.11 0.64 -0.30 0.77 -0.57 0.00 0.00 179.45 179.88 1bc3 h SER 241 N 0.94 0.61 -0.97 0.86 0.02 -0.45 -0.74 113.55 113.82 1bc3 h SER 241 Ca 0.25 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1bc3 h SER 241 Cb -0.06 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 1bc3 h SER 241 CO -0.05 0.88 0.61 0.40 -1.14 0.00 0.00 176.83 177.53 1bc3 h ILE 242 N 0.51 1.26 -0.15 3.27 1.08 -0.34 -2.76 117.51 120.38 1bc3 h ILE 242 Ca 0.06 -0.52 -0.06 0.00 -0.39 0.00 0.00 64.86 63.96 1bc3 h ILE 242 Cb 0.78 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1bc3 h ILE 242 CO 0.06 0.26 -0.12 0.03 -0.69 0.00 0.00 178.15 177.69 1bc3 h ARG 243 N 1.33 0.35 -0.37 2.37 3.08 -1.04 -3.46 114.38 116.64 1bc3 h ARG 243 Ca 0.35 -0.18 0.24 0.00 0.07 0.00 0.00 59.98 60.46 1bc3 h ARG 243 Cb -0.10 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.73 1bc3 h ARG 243 CO -0.07 0.72 0.17 0.45 -1.07 0.00 0.00 179.97 180.17 1bc3 s SER 244 N -6.09 -0.43 0.11 7.04 0.15 -0.31 -5.04 113.70 109.12 1bc3 s SER 244 Ca -0.14 0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.61 1bc3 s SER 244 Cb 0.05 1.38 -0.10 0.00 -1.71 0.00 0.00 66.02 65.64 1bc3 s SER 244 CO 0.75 -0.08 1.75 0.40 1.20 0.00 0.00 173.24 177.26 1bc3 h ILE 245 N 5.32 0.99 -0.78 6.45 2.04 -1.73 -0.37 117.51 129.43 1bc3 h ILE 245 Ca -0.14 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.78 1bc3 h ILE 245 Cb 1.17 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 1bc3 h ILE 245 CO -0.07 0.02 0.44 -0.65 0.00 0.00 0.00 178.15 177.88 1bc3 h PRO 246 N 0.09 0.73 -0.64 2.37 0.11 -1.92 0.14 132.00 132.87 1bc3 h PRO 246 Ca 0.04 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1bc3 h PRO 246 Cb 0.02 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1bc3 h PRO 246 CO -0.04 0.49 0.09 0.00 -0.21 0.00 0.00 178.00 178.33 1bc3 h ALA 247 N 1.42 0.94 -0.39 -0.75 0.00 -1.81 0.21 119.26 118.88 1bc3 h ALA 247 Ca 0.37 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1bc3 h ALA 247 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bc3 h ALA 247 CO -0.23 0.66 0.05 -0.92 0.00 0.00 0.00 179.25 178.81 1bc3 h TYR 248 N 1.00 0.70 -0.10 0.00 3.20 0.00 -2.17 116.97 119.60 1bc3 h TYR 248 Ca 0.20 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 1bc3 h TYR 248 Cb 0.45 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1bc3 h TYR 248 CO 0.03 0.70 -0.52 -0.07 -1.64 0.00 0.00 178.16 176.67 1bc3 h LEU 249 N 0.50 0.31 -1.33 2.82 3.38 -0.53 -1.97 115.31 118.48 1bc3 h LEU 249 Ca 0.12 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1bc3 h LEU 249 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1bc3 h LEU 249 CO 0.01 0.77 -0.13 0.00 0.09 0.00 0.00 178.44 179.18 1bc3 h ALA 250 N 1.24 1.45 -0.11 1.53 0.00 -0.45 -1.63 119.26 121.29 1bc3 h ALA 250 Ca 0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1bc3 h ALA 250 Cb 0.99 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1bc3 h ALA 250 CO 0.08 0.39 -0.84 1.49 0.00 0.00 0.00 179.25 180.37 1bc3 h GLU 251 N 0.28 0.74 -0.91 0.00 4.81 -1.05 -2.03 114.58 116.41 1bc3 h GLU 251 Ca 0.06 -0.65 -0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1bc3 h GLU 251 Cb 0.40 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1bc3 h GLU 251 CO 0.02 1.25 0.57 1.15 -0.73 0.00 0.00 179.01 181.27 1bc3 h THR 252 N 0.48 1.25 0.34 0.32 2.02 -0.95 -2.35 112.91 114.03 1bc3 h THR 252 Ca -0.07 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1bc3 h THR 252 Cb 1.47 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1bc3 h THR 252 CO 0.17 0.25 -0.16 -0.07 0.37 0.00 0.00 175.52 176.08 1bc3 h LEU 253 N 1.25 -0.39 -0.73 2.58 3.38 -1.26 -2.42 115.31 117.72 1bc3 h LEU 253 Ca 0.33 -0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.30 1bc3 h LEU 253 Cb -0.08 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.63 1bc3 h LEU 253 CO -0.06 -0.06 -0.23 0.22 0.09 0.00 0.00 178.44 178.39 1bc3 h TYR 254 N -0.73 -0.55 0.00 1.13 3.20 -1.16 0.21 116.97 119.07 1bc3 h TYR 254 Ca -0.05 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1bc3 h TYR 254 Cb 0.50 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1bc3 h TYR 254 CO 0.01 -0.34 0.00 1.88 -1.64 0.00 0.00 178.16 178.07 1bc3 h TYR 255 N -0.04 0.00 -0.26 -3.82 0.05 -1.43 0.23 116.97 111.71 1bc3 h TYR 255 Ca 0.33 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.96 1bc3 h TYR 255 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1bc3 h TYR 255 CO -0.62 0.00 -0.45 0.00 -1.05 0.00 0.00 178.16 176.03 1bc3 h ALA 256 N 2.12 0.41 0.00 3.88 0.00 -0.08 -3.37 119.26 122.21 1bc3 h ALA 256 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bc3 h ALA 256 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bc3 h ALA 256 CO 0.00 0.55 -0.23 0.52 0.00 0.00 0.00 179.25 180.09 1bc3 h MET 257 N 0.51 0.00 0.00 0.00 2.86 -1.23 -1.69 114.93 115.38 1bc3 h MET 257 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1bc3 h MET 257 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1bc3 h MET 257 CO 0.10 0.00 0.00 1.17 1.06 0.00 0.00 176.91 179.24 1bc3 n LYS 258 N -4.21 0.00 0.00 1.72 4.81 0.80 -4.31 118.16 116.97 1bc3 n LYS 258 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1bc3 n LYS 258 Cb 0.12 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.17 1bc3 n LYS 258 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bc3 n GLY 259 N 0.00 0.00 3.12 3.14 0.00 -1.26 -4.81 105.19 105.39 1bc3 n GLY 259 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1bc3 n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bc3 s ALA 260 N 0.00 1.48 0.00 4.61 0.00 -1.26 -5.04 121.76 121.54 1bc3 s ALA 260 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1bc3 s ALA 260 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1bc3 s ALA 260 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1bc3 n GLY 261 N 3.17 -1.63 3.01 0.00 0.00 -1.26 -4.93 105.19 103.55 1bc3 n GLY 261 Ca -0.18 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1bc3 n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bc3 s THR 262 N 0.00 0.05 -1.22 2.61 2.01 -1.26 -4.78 115.64 113.06 1bc3 s THR 262 Ca 0.00 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1bc3 s THR 262 Cb 0.00 -0.25 0.17 0.00 0.01 0.00 0.00 72.50 72.43 1bc3 s THR 262 CO 0.00 -0.23 1.45 -0.62 -0.69 0.00 0.00 174.62 174.53 1bc3 s ASP 263 N -0.72 7.07 0.32 3.53 2.15 -0.64 -4.81 116.67 123.57 1bc3 s ASP 263 Ca -0.08 -2.99 0.00 0.00 0.43 0.00 0.00 52.55 49.92 1bc3 s ASP 263 Cb -0.05 -2.41 0.53 0.00 -0.30 0.00 0.00 42.92 40.69 1bc3 s ASP 263 CO 0.00 -0.76 1.97 0.44 -0.17 0.00 0.00 175.17 176.65 1bc3 h ASP 264 N 7.15 0.82 -0.68 -0.34 3.32 -1.96 -1.12 116.42 123.60 1bc3 h ASP 264 Ca 0.32 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.38 1bc3 h ASP 264 Cb 0.87 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1bc3 h ASP 264 CO 1.26 0.62 0.40 -0.74 -1.72 0.00 0.00 179.24 179.05 1bc3 h HIS 265 N 0.95 0.74 -0.13 4.55 2.76 -1.99 0.35 115.15 122.38 1bc3 h HIS 265 Ca 0.25 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 58.22 1bc3 h HIS 265 Cb -0.06 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 28.68 1bc3 h HIS 265 CO 0.00 0.39 -0.79 1.15 -1.30 0.00 0.00 177.93 177.38 1bc3 h THR 266 N 0.76 1.29 -0.55 6.26 2.02 -1.88 -0.51 112.91 120.30 1bc3 h THR 266 Ca 0.29 -2.01 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 1bc3 h THR 266 Cb 0.12 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1bc3 h THR 266 CO -0.15 0.63 0.23 0.25 0.37 0.00 0.00 175.52 176.86 1bc3 h LEU 267 N 0.49 0.74 0.10 2.58 5.85 -0.75 -1.30 115.31 123.03 1bc3 h LEU 267 Ca -0.05 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1bc3 h LEU 267 Cb 1.41 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1bc3 h LEU 267 CO 0.16 0.70 -0.05 0.40 -0.34 0.00 0.00 178.44 179.31 1bc3 h ILE 268 N 0.74 1.12 -0.57 4.05 2.04 -0.30 -2.92 117.51 121.67 1bc3 h ILE 268 Ca 0.18 -0.94 0.10 0.00 1.00 0.00 0.00 64.86 65.21 1bc3 h ILE 268 Cb 0.17 1.70 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 1bc3 h ILE 268 CO -0.02 0.22 0.13 -0.09 0.00 0.00 0.00 178.15 178.39 1bc3 h ARG 269 N -0.58 0.25 -0.36 2.37 2.43 -0.97 -1.45 114.38 116.08 1bc3 h ARG 269 Ca -0.01 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 1bc3 h ARG 269 Cb 0.47 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1bc3 h ARG 269 CO 0.02 0.17 -0.37 0.28 -1.51 0.00 0.00 179.97 178.56 1bc3 h VAL 270 N 0.26 1.28 -0.20 0.20 2.07 -1.31 -1.62 116.25 116.93 1bc3 h VAL 270 Ca 0.29 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1bc3 h VAL 270 Cb 0.42 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1bc3 h VAL 270 CO -0.37 0.51 -0.06 0.40 0.02 0.00 0.00 177.57 178.08 1bc3 h ILE 271 N 0.70 1.29 0.08 4.57 1.08 -1.30 -2.28 117.51 121.64 1bc3 h ILE 271 Ca 0.06 -1.05 -0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1bc3 h ILE 271 Cb 0.96 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1bc3 h ILE 271 CO 0.09 0.32 -0.04 0.58 -0.69 0.00 0.00 178.15 178.41 1bc3 h VAL 272 N 0.10 1.15 -0.01 1.67 2.07 -1.34 0.89 116.25 120.77 1bc3 h VAL 272 Ca 0.05 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1bc3 h VAL 272 Cb 0.51 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1bc3 h VAL 272 CO 0.02 0.22 -0.05 0.77 0.02 0.00 0.00 177.57 178.55 1bc3 h SER 273 N -0.52 0.02 -0.01 0.57 4.64 -1.38 -3.00 113.55 113.86 1bc3 h SER 273 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1bc3 h SER 273 Cb 0.44 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1bc3 h SER 273 CO 0.02 0.07 -0.61 0.54 -0.87 0.00 0.00 176.83 175.98 1bc3 n ARG 274 N -4.47 1.51 -0.37 4.77 5.12 -0.86 -4.62 116.66 117.74 1bc3 n ARG 274 Ca -0.03 -0.38 0.35 0.00 -1.93 0.00 0.00 57.85 55.87 1bc3 n ARG 274 Cb 0.14 -1.31 0.72 0.00 -1.16 0.00 0.00 32.46 30.85 1bc3 n ARG 274 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1bc3 h SER 275 N 0.86 0.08 -0.13 0.55 4.64 -0.67 -0.38 113.55 118.51 1bc3 h SER 275 Ca 0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1bc3 h SER 275 Cb 0.49 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1bc3 h SER 275 CO 0.00 0.00 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.26 1bc3 n GLU 276 N -4.26 1.90 0.00 4.77 1.02 -1.26 -0.21 120.64 122.61 1bc3 n GLU 276 Ca 0.28 -2.86 0.00 0.00 -0.02 0.00 0.00 57.16 54.56 1bc3 n GLU 276 Cb 1.28 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1bc3 n GLU 276 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1bc3 n ILE 277 N -1.07 0.00 -2.35 -3.67 5.41 -0.18 -4.66 119.36 112.85 1bc3 n ILE 277 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.97 1bc3 n ILE 277 Cb 0.79 -0.81 -0.00 0.00 -0.71 0.00 0.00 39.64 38.90 1bc3 n ILE 277 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1bc3 n ASP 278 N -2.24 0.43 0.26 4.38 5.68 -1.11 -3.25 116.55 120.71 1bc3 n ASP 278 Ca 0.00 -1.99 0.12 0.00 -0.50 0.00 0.00 54.79 52.42 1bc3 n ASP 278 Cb 0.00 -0.14 0.73 0.00 -1.14 0.00 0.00 41.12 40.58 1bc3 n ASP 278 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1bc3 h LEU 279 N 0.69 0.00 -0.15 -2.12 5.85 -1.10 -0.58 115.31 117.90 1bc3 h LEU 279 Ca -0.31 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1bc3 h LEU 279 Cb 1.74 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 1bc3 h LEU 279 CO -0.01 0.10 -0.08 0.15 -0.34 0.00 0.00 178.44 178.25 1bc3 h PHE 280 N 0.00 0.37 -0.72 1.25 3.57 -1.22 -1.39 116.94 118.81 1bc3 h PHE 280 Ca -0.00 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 1bc3 h PHE 280 Cb 0.23 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1bc3 h PHE 280 CO 0.00 0.66 0.36 -0.91 -2.23 0.00 0.00 178.31 176.18 1bc3 h ASN 281 N -0.03 0.91 -0.44 0.41 4.21 -1.42 -0.87 115.58 118.35 1bc3 h ASN 281 Ca 0.03 -0.09 -0.04 0.00 1.21 0.00 0.00 56.30 57.40 1bc3 h ASN 281 Cb 0.57 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 1bc3 h ASN 281 CO 0.02 0.76 0.13 0.40 -1.29 0.00 0.00 177.43 177.45 1bc3 h ILE 282 N 1.01 1.21 -0.46 2.81 2.04 -0.98 -1.38 117.51 121.76 1bc3 h ILE 282 Ca 0.25 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1bc3 h ILE 282 Cb 0.08 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1bc3 h ILE 282 CO -0.03 0.28 0.25 0.03 0.00 0.00 0.00 178.15 178.67 1bc3 h ARG 283 N 0.73 0.64 -0.14 2.37 3.08 -0.03 -1.71 114.38 119.33 1bc3 h ARG 283 Ca 0.16 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1bc3 h ARG 283 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1bc3 h ARG 283 CO -0.00 0.51 0.03 0.87 -1.07 0.00 0.00 179.97 180.31 1bc3 h LYS 284 N 0.60 0.22 -0.29 0.04 1.57 -0.79 -2.61 116.57 115.31 1bc3 h LYS 284 Ca 0.16 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1bc3 h LYS 284 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1bc3 h LYS 284 CO -0.03 0.37 0.12 0.93 -0.57 0.00 0.00 179.45 180.28 1bc3 h GLU 285 N 0.02 0.40 0.21 3.15 4.39 -1.23 -2.39 114.58 119.13 1bc3 h GLU 285 Ca 0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1bc3 h GLU 285 Cb 0.25 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1bc3 h GLU 285 CO 0.00 0.33 -0.10 0.35 -1.16 0.00 0.00 179.01 178.43 1bc3 h PHE 286 N 0.41 -0.26 -0.32 4.33 3.04 -1.06 -1.66 116.94 121.41 1bc3 h PHE 286 Ca 0.10 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1bc3 h PHE 286 Cb 0.07 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 1bc3 h PHE 286 CO 0.00 -0.02 0.17 -0.09 -2.02 0.00 0.00 178.31 176.36 1bc3 h ARG 287 N -0.47 0.46 -0.28 1.11 1.12 -1.33 0.66 114.38 115.64 1bc3 h ARG 287 Ca -0.03 -0.06 0.05 0.00 -1.11 0.00 0.00 59.98 58.83 1bc3 h ARG 287 Cb 0.36 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.19 1bc3 h ARG 287 CO 0.05 0.40 -0.02 -0.22 -3.11 0.00 0.00 179.97 177.08 1bc3 h LYS 288 N 0.40 0.06 0.19 0.20 3.64 -1.43 0.20 116.57 119.83 1bc3 h LYS 288 Ca 0.11 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.16 1bc3 h LYS 288 Cb 0.09 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1bc3 h LYS 288 CO -0.02 0.04 -1.53 -0.91 -2.27 0.00 0.00 179.45 174.77 1bc3 h ASN 289 N 0.06 0.64 -0.32 4.20 4.21 -1.20 -3.38 115.58 119.80 1bc3 h ASN 289 Ca 0.13 -0.78 0.00 0.00 1.21 0.00 0.00 56.30 56.86 1bc3 h ASN 289 Cb 0.18 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 1bc3 h ASN 289 CO -0.24 1.63 0.00 0.49 -1.29 0.00 0.00 177.43 178.02 1bc3 n PHE 290 N -3.61 0.42 -0.67 1.19 3.72 0.21 -4.97 117.46 113.76 1bc3 n PHE 290 Ca -0.18 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 1bc3 n PHE 290 Cb 1.08 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 1bc3 n PHE 290 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bc3 n ALA 291 N 1.01 0.00 -2.49 4.37 0.00 0.06 -4.94 120.51 118.52 1bc3 n ALA 291 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.33 1bc3 n ALA 291 Cb 0.48 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 1bc3 n ALA 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bc3 s THR 292 N -1.11 2.67 0.16 0.00 2.01 -1.26 -5.01 115.64 113.10 1bc3 s THR 292 Ca 0.00 -2.12 -0.20 0.00 0.31 0.00 0.00 61.69 59.68 1bc3 s THR 292 Cb 0.00 -2.36 -0.08 0.00 0.01 0.00 0.00 72.50 70.08 1bc3 s THR 292 CO 0.00 -0.27 0.67 -0.55 -0.69 0.00 0.00 174.62 173.78 1bc3 s SER 293 N -3.18 7.09 0.22 3.53 0.15 -1.26 -3.34 113.70 116.91 1bc3 s SER 293 Ca 0.27 1.37 -0.09 0.00 0.70 0.00 0.00 55.95 58.20 1bc3 s SER 293 Cb -0.07 -2.40 0.24 0.00 -1.71 0.00 0.00 66.02 62.09 1bc3 s SER 293 CO 0.14 0.15 1.83 0.25 1.20 0.00 0.00 173.24 176.81 1bc3 h LEU 294 N 3.93 0.68 0.17 3.45 5.85 -1.87 -1.36 115.31 126.16 1bc3 h LEU 294 Ca -0.48 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1bc3 h LEU 294 Cb 1.20 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1bc3 h LEU 294 CO 0.65 0.45 -0.50 0.22 -0.34 0.00 0.00 178.44 178.92 1bc3 h TYR 295 N 0.82 -1.44 -0.76 1.25 5.03 -1.81 0.93 116.97 120.98 1bc3 h TYR 295 Ca 0.31 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.76 1bc3 h TYR 295 Cb 0.12 0.61 -0.05 0.00 1.55 0.00 0.00 36.73 38.95 1bc3 h TYR 295 CO -0.05 -0.59 0.50 0.66 -1.32 0.00 0.00 178.16 177.35 1bc3 h SER 296 N -0.76 0.57 -0.06 -2.11 4.64 -1.85 0.45 113.55 114.43 1bc3 h SER 296 Ca -0.01 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1bc3 h SER 296 Cb 0.76 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1bc3 h SER 296 CO -0.25 0.33 0.01 -0.03 -0.87 0.00 0.00 176.83 176.02 1bc3 h MET 297 N 0.63 0.10 -0.13 4.77 1.85 -0.37 -2.30 114.93 119.48 1bc3 h MET 297 Ca 0.36 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.40 1bc3 h MET 297 Cb 0.54 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.55 1bc3 h MET 297 CO -0.13 0.33 0.02 0.82 -0.40 0.00 0.00 176.91 177.54 1bc3 h ILE 298 N -0.14 1.23 -0.08 1.77 2.04 0.10 -2.44 117.51 119.98 1bc3 h ILE 298 Ca 0.02 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1bc3 h ILE 298 Cb 0.28 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1bc3 h ILE 298 CO 0.00 0.21 0.34 0.50 0.00 0.00 0.00 178.15 179.20 1bc3 h LYS 299 N -0.02 0.00 0.00 2.37 3.64 -0.09 -1.00 116.57 121.47 1bc3 h LYS 299 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1bc3 h LYS 299 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1bc3 h LYS 299 CO 0.00 0.00 -1.61 0.41 -2.27 0.00 0.00 179.45 175.98 1bc3 n GLY 300 N -1.27 -0.82 0.01 5.01 0.00 -0.87 -4.52 105.19 102.73 1bc3 n GLY 300 Ca -0.00 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1bc3 n GLY 300 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bc3 n ASP 301 N -1.97 0.60 -4.61 1.61 9.92 -0.56 -5.01 116.55 116.53 1bc3 n ASP 301 Ca -0.02 -0.37 -0.27 0.00 -0.53 0.00 0.00 54.79 53.61 1bc3 n ASP 301 Cb 0.44 1.57 -0.10 0.00 -0.64 0.00 0.00 41.12 42.38 1bc3 n ASP 301 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1bc3 s THR 302 N -3.18 2.17 0.26 -3.53 -4.23 -0.49 -4.83 115.64 101.81 1bc3 s THR 302 Ca -0.02 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.36 1bc3 s THR 302 Cb 0.14 -2.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 1bc3 s THR 302 CO 0.82 -0.08 0.45 -0.94 -0.54 0.00 0.00 174.62 174.33 1bc3 s SER 303 N -3.70 0.12 0.59 3.99 1.04 -1.26 -4.83 113.70 109.65 1bc3 s SER 303 Ca 0.35 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1bc3 s SER 303 Cb 0.06 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1bc3 s SER 303 CO 0.18 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1bc3 n GLY 304 N -0.41 0.09 0.32 7.32 0.00 -1.26 -2.20 105.19 109.05 1bc3 n GLY 304 Ca -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 1bc3 n GLY 304 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bc3 h ASP 305 N 2.61 0.94 -0.41 1.61 3.32 -1.99 -2.10 116.42 120.40 1bc3 h ASP 305 Ca 0.00 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 56.98 1bc3 h ASP 305 Cb 0.00 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.21 1bc3 h ASP 305 CO 0.00 0.86 -0.27 0.22 -1.72 0.00 0.00 179.24 178.33 1bc3 h TYR 306 N 0.99 -0.73 -0.81 4.55 3.20 -1.93 0.37 116.97 122.61 1bc3 h TYR 306 Ca 0.22 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1bc3 h TYR 306 Cb 0.25 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1bc3 h TYR 306 CO 0.02 -0.34 0.36 -0.22 -1.64 0.00 0.00 178.16 176.33 1bc3 h LYS 307 N -0.20 1.18 -0.43 1.82 3.64 -1.05 -0.34 116.57 121.19 1bc3 h LYS 307 Ca 0.19 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1bc3 h LYS 307 Cb 0.50 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1bc3 h LYS 307 CO -0.52 0.93 0.13 0.87 -2.27 0.00 0.00 179.45 178.59 1bc3 h LYS 308 N 1.16 0.67 -0.26 1.90 1.57 -0.46 -0.74 116.57 120.41 1bc3 h LYS 308 Ca 0.27 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1bc3 h LYS 308 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1bc3 h LYS 308 CO -0.03 0.65 -0.01 0.00 -0.57 0.00 0.00 179.45 179.50 1bc3 h ALA 309 N 0.98 0.35 0.10 3.86 0.00 -0.18 -2.19 119.26 122.17 1bc3 h ALA 309 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1bc3 h ALA 309 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1bc3 h ALA 309 CO -0.00 0.09 -0.26 1.25 0.00 0.00 0.00 179.25 180.33 1bc3 h LEU 310 N 0.24 -0.73 -1.80 0.00 5.85 -0.90 -1.28 115.31 116.68 1bc3 h LEU 310 Ca 0.07 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1bc3 h LEU 310 Cb 0.43 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1bc3 h LEU 310 CO 0.01 -0.34 0.15 -0.07 -0.34 0.00 0.00 178.44 177.85 1bc3 h LEU 311 N -0.45 0.23 -0.56 2.25 3.38 -1.12 0.09 115.31 119.13 1bc3 h LEU 311 Ca 0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1bc3 h LEU 311 Cb 0.49 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1bc3 h LEU 311 CO -0.16 0.16 -0.56 -0.07 0.09 0.00 0.00 178.44 177.90 1bc3 h LEU 312 N 0.27 0.52 -0.07 1.67 3.38 -0.72 0.87 115.31 121.23 1bc3 h LEU 312 Ca 0.09 -0.28 -0.24 0.00 0.09 0.00 0.00 57.88 57.53 1bc3 h LEU 312 Cb 0.02 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.64 1bc3 h LEU 312 CO -0.02 0.97 -0.90 -0.07 0.09 0.00 0.00 178.44 178.51 1bc3 h LEU 313 N 0.36 0.92 0.02 1.67 3.38 -0.45 -3.37 115.31 117.84 1bc3 h LEU 313 Ca 0.00 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 1bc3 h LEU 313 Cb 1.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1bc3 h LEU 313 CO 0.10 1.47 -0.01 0.00 0.09 0.00 0.00 178.44 180.09 1bc3 n GLY 315 N 1.27 -1.41 3.19 0.00 0.00 0.30 -4.94 105.19 103.60 1bc3 n GLY 315 Ca -0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 1bc3 n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bc3 n GLY 316 N 0.00 -1.25 3.55 -0.02 0.00 -1.26 -4.56 105.19 101.65 1bc3 n GLY 316 Ca 0.00 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 1bc3 n GLY 316 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bc3 s GLU 317 N -3.38 3.33 0.00 1.61 2.56 -1.26 -1.31 118.70 120.25 1bc3 s GLU 317 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.97 54.41 1bc3 s GLU 317 Cb -0.00 -4.59 0.00 0.00 2.00 0.00 0.00 34.13 31.54 1bc3 s GLU 317 CO 0.78 -2.15 0.00 -0.40 -0.56 0.00 0.00 175.26 172.92 1bc3 n ASP 318 N 9.12 0.00 0.00 -1.70 5.75 -1.26 -5.09 116.55 123.37 1bc3 n ASP 318 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1bc3 n ASP 318 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1bc3 n ASP 318 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42