#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dy3 s THR 2 N 0.00 0.19 0.00 12.58 2.01 -1.26 -0.79 115.64 128.37 3dy3 s THR 2 Ca 0.00 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.00 3dy3 s THR 2 Cb 0.00 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3dy3 s THR 2 CO 0.00 -0.01 -0.16 0.27 -0.69 0.00 0.00 174.62 174.04 3dy3 s ILE 3 N 2.03 1.24 0.08 1.82 -4.36 -0.73 -1.85 121.20 119.44 3dy3 s ILE 3 Ca 0.03 -0.79 0.01 0.00 -0.26 0.00 0.00 60.65 59.64 3dy3 s ILE 3 Cb -0.14 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 3dy3 s ILE 3 CO -0.06 0.26 -0.05 0.68 0.24 0.00 0.00 174.94 176.00 3dy3 s VAL 4 N -0.51 0.54 -0.03 8.37 -7.23 -0.26 -1.16 120.40 120.12 3dy3 s VAL 4 Ca 0.05 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3dy3 s VAL 4 Cb -0.07 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.26 3dy3 s VAL 4 CO 0.00 -0.91 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.03 3dy3 s GLY 5 N -3.01 0.29 -0.05 2.32 0.00 -0.01 -2.00 107.32 104.87 3dy3 s GLY 5 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 3dy3 s GLY 5 CO -0.06 0.40 0.01 0.14 0.00 0.00 0.00 173.10 173.59 3dy3 s VAL 6 N 0.76 0.19 0.08 1.40 1.01 0.27 -0.98 120.40 123.14 3dy3 s VAL 6 Ca -0.08 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 3dy3 s VAL 6 Cb -0.12 -0.35 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 3dy3 s VAL 6 CO -0.01 0.20 0.55 -0.54 0.00 0.00 0.00 175.10 175.30 3dy3 s LYS 7 N 1.63 4.12 0.37 2.72 -0.14 0.06 -0.74 119.74 127.76 3dy3 s LYS 7 Ca -0.01 0.65 0.04 0.00 -1.36 0.00 0.00 55.97 55.29 3dy3 s LYS 7 Cb -0.13 -3.16 -0.06 0.00 -1.68 0.00 0.00 37.83 32.80 3dy3 s LYS 7 CO -0.03 0.61 0.06 -0.59 -0.76 0.00 0.00 175.35 174.63 3dy3 s PHE 8 N -1.19 2.03 0.64 3.18 -0.12 -0.52 -4.68 117.98 117.31 3dy3 s PHE 8 Ca 0.30 -0.96 0.18 0.00 -0.05 0.00 0.00 56.93 56.41 3dy3 s PHE 8 Cb -0.18 -1.39 0.85 0.00 -0.63 0.00 0.00 43.02 41.67 3dy3 s PHE 8 CO 0.18 0.06 1.43 -2.95 -0.05 0.00 0.00 175.22 173.89 3dy3 h ASN 9 N 1.92 0.00 -0.11 1.98 7.08 -0.98 -2.71 115.58 122.76 3dy3 h ASN 9 Ca -0.41 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 52.63 3dy3 h ASN 9 Cb 1.26 0.00 -0.30 0.00 -2.08 0.00 0.00 38.32 37.19 3dy3 h ASN 9 CO 0.70 0.00 -0.80 -3.20 -2.08 0.00 0.00 177.43 172.05 3dy3 n ASN 10 N -2.97 0.38 0.00 6.14 5.15 -1.26 -5.08 115.26 117.62 3dy3 n ASN 10 Ca 0.07 -2.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.01 3dy3 n ASN 10 Cb 0.95 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 3dy3 n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dy3 n GLY 11 N -0.18 -0.53 3.27 8.20 0.00 -1.02 -0.42 105.19 114.50 3dy3 n GLY 11 Ca -0.04 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 3dy3 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dy3 s VAL 12 N -3.10 0.04 0.02 1.61 0.11 -0.37 -1.44 120.40 117.28 3dy3 s VAL 12 Ca 0.00 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 3dy3 s VAL 12 Cb 0.00 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3dy3 s VAL 12 CO 0.00 -0.20 -0.13 0.54 -3.33 0.00 0.00 175.10 171.97 3dy3 s VAL 13 N -1.12 1.03 0.01 2.04 0.11 0.08 -0.90 120.40 121.65 3dy3 s VAL 13 Ca -0.12 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 3dy3 s VAL 13 Cb -0.04 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3dy3 s VAL 13 CO 0.04 0.07 -0.12 0.27 -3.33 0.00 0.00 175.10 172.04 3dy3 s ILE 14 N -0.69 0.91 0.09 7.04 -4.36 -1.00 -0.56 121.20 122.63 3dy3 s ILE 14 Ca 0.02 -0.63 -0.00 0.00 -0.26 0.00 0.00 60.65 59.78 3dy3 s ILE 14 Cb -0.07 -0.79 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 3dy3 s ILE 14 CO 0.01 0.16 -0.01 0.00 0.24 0.00 0.00 174.94 175.33 3dy3 s ALA 15 N -0.45 0.75 0.19 2.27 0.00 -0.85 -1.56 121.76 122.11 3dy3 s ALA 15 Ca 0.03 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.47 3dy3 s ALA 15 Cb -0.05 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.53 3dy3 s ALA 15 CO 0.00 -0.37 0.54 0.00 0.00 0.00 0.00 175.76 175.93 3dy3 s ALA 16 N -3.88 -1.09 0.86 0.00 0.00 -0.56 -1.11 121.76 115.98 3dy3 s ALA 16 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 3dy3 s ALA 16 Cb 0.07 0.84 0.15 0.00 0.00 0.00 0.00 23.12 24.19 3dy3 s ALA 16 CO -0.05 -0.80 0.97 -0.40 0.00 0.00 0.00 175.76 175.47 3dy3 n ASP 17 N -0.35 0.53 -0.02 0.00 5.75 -0.77 -0.84 116.55 120.86 3dy3 n ASP 17 Ca -0.11 -1.63 0.01 0.00 -0.01 0.00 0.00 54.79 53.05 3dy3 n ASP 17 Cb 0.63 -0.70 0.02 0.00 -1.03 0.00 0.00 41.12 40.04 3dy3 n ASP 17 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3dy3 n THR 18 N -3.10 1.01 -3.08 2.12 -2.24 -1.03 -4.51 114.28 103.45 3dy3 n THR 18 Ca 0.14 -1.06 -0.39 0.00 -2.27 0.00 0.00 64.05 60.46 3dy3 n THR 18 Cb 0.48 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 3dy3 n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dy3 s ARG 19 N -1.14 4.42 -0.12 -0.78 3.52 -1.10 -0.40 118.95 123.35 3dy3 s ARG 19 Ca 0.04 0.88 0.03 0.00 -0.13 0.00 0.00 55.73 56.55 3dy3 s ARG 19 Cb 0.04 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 3dy3 s ARG 19 CO 0.00 0.20 -0.23 0.45 -0.81 0.00 0.00 175.30 174.92 3dy3 s SER 20 N 0.31 3.13 0.05 -2.12 0.15 0.02 -4.68 113.70 110.57 3dy3 s SER 20 Ca 0.36 -0.57 0.05 0.00 0.70 0.00 0.00 55.95 56.49 3dy3 s SER 20 Cb -0.18 -1.43 -0.02 0.00 -1.71 0.00 0.00 66.02 62.67 3dy3 s SER 20 CO 0.19 0.13 -0.13 0.42 1.20 0.00 0.00 173.24 175.05 3dy3 s THR 21 N 0.51 1.04 -0.42 6.45 -4.23 -1.26 -0.99 115.64 116.74 3dy3 s THR 21 Ca -0.14 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 3dy3 s THR 21 Cb -0.17 -0.98 0.11 0.00 1.34 0.00 0.00 72.50 72.80 3dy3 s THR 21 CO 0.05 -0.11 0.18 -1.10 -0.54 0.00 0.00 174.62 173.10 3dy3 s GLN 22 N -1.38 1.86 7.83 3.99 -0.21 0.65 -4.90 119.66 127.51 3dy3 s GLN 22 Ca -0.01 -2.02 0.00 0.00 0.02 0.00 0.00 55.36 53.35 3dy3 s GLN 22 Cb -0.09 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.50 3dy3 s GLN 22 CO 0.02 -1.04 0.00 0.41 -2.12 0.00 0.00 175.29 172.56 3dy3 n GLY 23 N 4.15 3.15 1.22 3.09 0.00 -1.26 -1.81 105.19 113.73 3dy3 n GLY 23 Ca 0.02 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3dy3 n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dy3 n PRO 24 N 13.06 2.62 -3.87 1.61 -0.04 -1.26 -4.93 135.00 142.19 3dy3 n PRO 24 Ca 0.00 -2.47 -0.36 0.00 -0.04 0.00 0.00 63.50 60.63 3dy3 n PRO 24 Cb 0.00 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.86 3dy3 n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dy3 s ILE 25 N -1.18 5.34 -0.51 0.52 -1.09 -0.75 -5.06 121.20 118.48 3dy3 s ILE 25 Ca 0.43 0.15 -0.24 0.00 -2.23 0.00 0.00 60.65 58.76 3dy3 s ILE 25 Cb 0.23 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3dy3 s ILE 25 CO 0.31 0.55 0.91 -0.69 -1.23 0.00 0.00 174.94 174.79 3dy3 s VAL 26 N -0.45 4.46 -0.09 2.92 1.01 -1.26 -0.25 120.40 126.74 3dy3 s VAL 26 Ca 0.12 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 3dy3 s VAL 26 Cb -0.12 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 3dy3 s VAL 26 CO 0.02 -0.96 0.37 0.00 0.00 0.00 0.00 175.10 174.52 3dy3 h ALA 27 N 9.18 -0.11 -3.11 5.51 0.00 -1.41 -3.44 119.26 125.89 3dy3 h ALA 27 Ca -0.25 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.84 3dy3 h ALA 27 Cb 1.08 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 3dy3 h ALA 27 CO 1.05 -0.11 -0.75 0.34 0.00 0.00 0.00 179.25 179.77 3dy3 s ASP 28 N -5.59 4.13 0.00 0.00 3.68 -1.11 -4.98 116.67 112.81 3dy3 s ASP 28 Ca -0.07 -0.63 0.28 0.00 2.13 0.00 0.00 52.55 54.26 3dy3 s ASP 28 Cb -0.00 -1.67 1.18 0.00 -1.45 0.00 0.00 42.92 40.97 3dy3 s ASP 28 CO 0.24 -0.06 1.89 0.29 0.13 0.00 0.00 175.17 177.65 3dy3 n LYS 29 N 4.72 0.01 -2.89 4.34 5.02 -1.26 -0.80 118.16 127.30 3dy3 n LYS 29 Ca -0.18 0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.02 3dy3 n LYS 29 Cb 0.49 -1.51 0.05 0.00 -0.02 0.00 0.00 35.03 34.04 3dy3 n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dy3 n ASN 30 N -1.52 -1.15 -4.92 4.39 4.05 -1.09 -4.41 115.26 110.62 3dy3 n ASN 30 Ca 0.07 -3.40 -0.27 0.00 0.45 0.00 0.00 54.58 51.43 3dy3 n ASN 30 Cb 0.33 0.96 0.03 0.00 1.23 0.00 0.00 39.78 42.33 3dy3 n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3dy3 s ALA 32 N -2.98 3.33 -2.05 0.00 0.00 -1.26 -4.47 121.76 114.33 3dy3 s ALA 32 Ca 0.54 -1.45 0.26 0.00 0.00 0.00 0.00 51.96 51.31 3dy3 s ALA 32 Cb -0.11 -2.49 0.65 0.00 0.00 0.00 0.00 23.12 21.18 3dy3 s ALA 32 CO 0.45 -1.01 1.50 1.63 0.00 0.00 0.00 175.76 178.33 3dy3 n LYS 33 N 5.02 1.19 -3.11 0.00 5.02 -1.26 -4.78 118.16 120.23 3dy3 n LYS 33 Ca -0.13 -0.78 -0.44 0.00 -2.02 0.00 0.00 58.31 54.94 3dy3 n LYS 33 Cb 0.49 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 3dy3 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dy3 s LEU 34 N -2.35 4.91 0.24 -0.35 1.02 -1.26 -3.49 118.68 117.40 3dy3 s LEU 34 Ca 0.27 -0.93 0.06 0.00 0.02 0.00 0.00 54.13 53.55 3dy3 s LEU 34 Cb 0.19 -2.47 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 3dy3 s LEU 34 CO 0.47 -0.98 0.25 -1.00 0.02 0.00 0.00 176.35 175.12 3dy3 s HIS 35 N 2.82 3.24 -0.16 0.29 3.76 0.23 -4.92 115.29 120.55 3dy3 s HIS 35 Ca 0.16 -0.07 -0.06 0.00 -0.15 0.00 0.00 55.06 54.94 3dy3 s HIS 35 Cb -0.19 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 3dy3 s HIS 35 CO 0.12 0.49 0.03 0.50 -0.85 0.00 0.00 174.74 175.03 3dy3 s ARG 36 N -3.86 3.78 -0.16 1.40 3.52 -1.26 0.41 118.95 122.79 3dy3 s ARG 36 Ca 0.33 -0.39 0.13 0.00 -0.13 0.00 0.00 55.73 55.68 3dy3 s ARG 36 Cb -0.08 -3.09 -0.24 0.00 -1.56 0.00 0.00 34.95 29.98 3dy3 s ARG 36 CO 0.26 0.33 0.22 -0.89 -0.81 0.00 0.00 175.30 174.41 3dy3 n ILE 37 N 3.33 1.48 -3.75 4.11 5.41 0.38 -4.91 119.36 125.42 3dy3 n ILE 37 Ca -0.17 -0.80 -0.08 0.00 1.00 0.00 0.00 62.75 62.70 3dy3 n ILE 37 Cb 0.52 -0.80 -0.02 0.00 -0.71 0.00 0.00 39.64 38.64 3dy3 n ILE 37 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3dy3 s SER 38 N -5.85 -0.32 0.28 4.38 1.04 -1.01 -4.51 113.70 107.70 3dy3 s SER 38 Ca -0.12 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 3dy3 s SER 38 Cb 0.07 0.67 0.64 0.00 0.10 0.00 0.00 66.02 67.50 3dy3 s SER 38 CO 0.80 -1.22 1.61 -0.65 0.98 0.00 0.00 173.24 174.76 3dy3 h PRO 39 N 2.00 0.07 -0.32 4.02 0.11 -2.00 -2.36 132.00 133.52 3dy3 h PRO 39 Ca -0.23 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.77 3dy3 h PRO 39 Cb 1.26 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3dy3 h PRO 39 CO 0.27 0.05 -0.02 1.63 -0.21 0.00 0.00 178.00 179.72 3dy3 n LYS 40 N -5.40 2.28 -3.69 1.05 5.02 -1.26 -4.59 118.16 111.57 3dy3 n LYS 40 Ca 0.20 -3.02 -0.29 0.00 -2.02 0.00 0.00 58.31 53.18 3dy3 n LYS 40 Cb 0.65 -1.83 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 3dy3 n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dy3 s ILE 41 N -3.07 0.52 0.32 -0.18 1.01 -0.89 -1.70 121.20 117.21 3dy3 s ILE 41 Ca 0.44 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 60.26 3dy3 s ILE 41 Cb 0.38 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 3dy3 s ILE 41 CO 0.04 -0.49 0.32 0.26 0.00 0.00 0.00 174.94 175.08 3dy3 s TRP 42 N 1.83 3.00 0.02 3.97 0.52 0.56 -0.47 118.94 128.38 3dy3 s TRP 42 Ca 0.05 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 55.92 3dy3 s TRP 42 Cb -0.17 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.35 3dy3 s TRP 42 CO -0.20 0.19 -0.03 0.00 0.02 0.00 0.00 176.95 176.93 3dy3 s ALA 44 N -1.50 0.21 0.16 0.00 0.00 -0.89 0.73 121.76 120.48 3dy3 s ALA 44 Ca -0.15 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3dy3 s ALA 44 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3dy3 s ALA 44 CO -0.01 0.01 0.01 0.20 0.00 0.00 0.00 175.76 175.98 3dy3 s GLY 45 N 0.23 1.17 0.18 0.00 0.00 -1.23 -1.48 107.32 106.19 3dy3 s GLY 45 Ca -0.02 -1.56 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 3dy3 s GLY 45 CO -0.01 -1.49 0.11 0.00 0.00 0.00 0.00 173.10 171.71 3dy3 s ALA 46 N -3.74 1.10 0.00 3.20 0.00 -0.01 -4.99 121.76 117.32 3dy3 s ALA 46 Ca 0.24 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3dy3 s ALA 46 Cb 0.06 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.41 3dy3 s ALA 46 CO 0.03 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3dy3 n GLY 47 N -0.23 -1.86 3.51 0.00 0.00 -1.26 -2.47 105.19 102.89 3dy3 n GLY 47 Ca -0.00 -1.92 -0.46 0.00 0.00 0.00 0.00 46.02 43.63 3dy3 n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dy3 n THR 48 N 0.00 0.22 -0.01 2.61 -1.04 -0.23 -4.84 114.28 110.98 3dy3 n THR 48 Ca 0.00 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.05 61.54 3dy3 n THR 48 Cb 0.00 -2.07 -0.03 0.00 -1.82 0.00 0.00 70.33 66.41 3dy3 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dy3 h ALA 49 N 14.05 -0.24 -0.96 2.41 0.00 -1.88 -0.63 119.26 132.01 3dy3 h ALA 49 Ca -0.32 0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.84 3dy3 h ALA 49 Cb 1.29 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 19.50 3dy3 h ALA 49 CO 1.02 -0.72 0.61 0.00 0.00 0.00 0.00 179.25 180.16 3dy3 h ALA 50 N 0.62 1.98 -0.14 0.00 0.00 -1.97 -0.96 119.26 118.79 3dy3 h ALA 50 Ca 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3dy3 h ALA 50 Cb 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3dy3 h ALA 50 CO -0.34 -0.30 -0.10 -0.44 0.00 0.00 0.00 179.25 178.06 3dy3 h ASP 51 N 0.57 0.32 0.11 0.00 3.45 -1.50 0.07 116.42 119.45 3dy3 h ASP 51 Ca 0.52 -0.45 -0.07 0.00 0.43 0.00 0.00 57.03 57.46 3dy3 h ASP 51 Cb 1.07 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.73 3dy3 h ASP 51 CO -0.27 0.71 -0.24 0.71 -1.57 0.00 0.00 179.24 178.58 3dy3 h THR 52 N -0.06 1.23 -0.07 0.35 1.35 -0.61 -0.72 112.91 114.38 3dy3 h THR 52 Ca 0.03 -1.07 -0.04 0.00 -0.55 0.00 0.00 66.41 64.78 3dy3 h THR 52 Cb 0.60 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3dy3 h THR 52 CO 0.03 0.32 -0.10 -0.08 -0.25 0.00 0.00 175.52 175.44 3dy3 h GLU 53 N 0.21 0.20 -0.39 4.72 4.57 -1.14 -2.47 114.58 120.27 3dy3 h GLU 53 Ca 0.03 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 3dy3 h GLU 53 Cb 0.54 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3dy3 h GLU 53 CO 0.04 0.66 0.12 0.00 -1.18 0.00 0.00 179.01 178.65 3dy3 h ALA 54 N 0.53 0.52 -0.13 2.92 0.00 -0.79 -2.66 119.26 119.64 3dy3 h ALA 54 Ca 0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3dy3 h ALA 54 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3dy3 h ALA 54 CO 0.02 0.16 -0.42 -0.24 0.00 0.00 0.00 179.25 178.77 3dy3 h VAL 55 N 0.49 1.31 -0.51 0.00 3.04 -1.22 -1.54 116.25 117.83 3dy3 h VAL 55 Ca 0.13 -1.57 -0.05 0.00 -1.01 0.00 0.00 66.70 64.20 3dy3 h VAL 55 Cb 0.26 1.68 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 3dy3 h VAL 55 CO -0.00 0.47 0.12 0.74 -1.01 0.00 0.00 177.57 177.89 3dy3 h THR 56 N 0.25 1.22 0.06 3.17 2.02 -1.29 -2.11 112.91 116.23 3dy3 h THR 56 Ca 0.02 -0.77 -0.26 0.00 0.77 0.00 0.00 66.41 66.17 3dy3 h THR 56 Cb 0.86 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3dy3 h THR 56 CO 0.07 0.29 -1.28 1.56 0.37 0.00 0.00 175.52 176.53 3dy3 h GLN 57 N 0.74 0.13 0.42 6.66 4.20 -1.22 -1.23 115.11 124.81 3dy3 h GLN 57 Ca 0.17 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3dy3 h GLN 57 Cb 0.27 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3dy3 h GLN 57 CO -0.00 1.03 -0.20 1.25 -0.67 0.00 0.00 178.83 180.24 3dy3 h LEU 58 N 0.04 -0.47 -0.92 1.46 5.85 -1.10 0.13 115.31 120.29 3dy3 h LEU 58 Ca -0.13 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3dy3 h LEU 58 Cb 1.91 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 3dy3 h LEU 58 CO 0.15 -0.22 -0.06 0.40 -0.34 0.00 0.00 178.44 178.37 3dy3 h ILE 59 N -0.71 1.24 -0.49 4.05 5.03 -1.51 -1.44 117.51 123.68 3dy3 h ILE 59 Ca -0.06 -1.05 0.04 0.00 -0.12 0.00 0.00 64.86 63.67 3dy3 h ILE 59 Cb 0.51 0.98 -0.04 0.00 -3.03 0.00 0.00 36.82 35.24 3dy3 h ILE 59 CO 0.09 0.36 0.25 1.23 -0.68 0.00 0.00 178.15 179.41 3dy3 h GLY 60 N 0.96 0.69 0.93 5.37 0.00 -0.98 0.26 103.07 110.31 3dy3 h GLY 60 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3dy3 h GLY 60 CO 0.03 0.12 0.10 0.23 0.00 0.00 0.00 176.54 177.02 3dy3 h SER 61 N 0.50 0.55 -0.35 0.19 0.87 -0.39 -2.12 113.55 112.79 3dy3 h SER 61 Ca 0.21 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3dy3 h SER 61 Cb 0.11 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3dy3 h SER 61 CO -0.15 0.63 -0.09 0.78 -0.53 0.00 0.00 176.83 177.47 3dy3 h ASN 62 N 0.45 0.76 -0.78 6.23 2.35 -0.80 -1.95 115.58 121.86 3dy3 h ASN 62 Ca 0.12 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 3dy3 h ASN 62 Cb 0.28 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3dy3 h ASN 62 CO -0.00 0.89 0.37 0.40 -1.65 0.00 0.00 177.43 177.43 3dy3 h ILE 63 N 0.71 1.25 0.26 2.81 1.08 -0.36 0.12 117.51 123.37 3dy3 h ILE 63 Ca 0.12 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 3dy3 h ILE 63 Cb 0.57 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3dy3 h ILE 63 CO 0.04 0.30 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.59 3dy3 h GLU 64 N 1.10 -0.33 -0.83 2.37 4.81 -1.01 0.13 114.58 120.81 3dy3 h GLU 64 Ca 0.27 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 3dy3 h GLU 64 Cb 0.13 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3dy3 h GLU 64 CO -0.03 -0.15 0.55 -0.07 -0.73 0.00 0.00 179.01 178.57 3dy3 h LEU 65 N -0.43 0.88 -0.43 1.64 3.38 -1.14 -0.33 115.31 118.87 3dy3 h LEU 65 Ca -0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3dy3 h LEU 65 Cb 0.33 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3dy3 h LEU 65 CO 0.06 0.60 0.08 -0.74 0.09 0.00 0.00 178.44 178.53 3dy3 h HIS 66 N 1.01 0.74 -0.25 1.13 2.76 -0.40 -0.46 115.15 119.69 3dy3 h HIS 66 Ca 0.33 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.43 3dy3 h HIS 66 Cb 0.06 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3dy3 h HIS 66 CO -0.00 0.70 0.09 1.03 -1.30 0.00 0.00 177.93 178.46 3dy3 h SER 67 N 0.56 0.11 -0.65 3.26 0.87 0.22 0.81 113.55 118.73 3dy3 h SER 67 Ca 0.13 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3dy3 h SER 67 Cb 0.36 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3dy3 h SER 67 CO 0.01 0.10 0.38 -0.07 -0.53 0.00 0.00 176.83 176.71 3dy3 h LEU 68 N 0.21 0.79 -0.51 2.23 4.07 -0.92 0.21 115.31 121.38 3dy3 h LEU 68 Ca 0.11 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 3dy3 h LEU 68 Cb 0.07 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 3dy3 h LEU 68 CO -0.10 0.63 0.18 0.22 -1.08 0.00 0.00 178.44 178.28 3dy3 h TYR 69 N 0.89 0.81 -0.01 1.13 5.03 -0.49 -3.07 116.97 121.25 3dy3 h TYR 69 Ca 0.23 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.47 3dy3 h TYR 69 Cb -0.01 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.04 3dy3 h TYR 69 CO -0.01 0.69 -0.30 0.25 -1.32 0.00 0.00 178.16 177.47 3dy3 n THR 70 N -4.50 0.00 -3.82 1.81 -2.24 0.23 -4.95 114.28 100.81 3dy3 n THR 70 Ca 0.02 -0.18 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 3dy3 n THR 70 Cb 0.18 0.66 0.04 0.00 -2.10 0.00 0.00 70.33 69.12 3dy3 n THR 70 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3dy3 n SER 71 N -0.38 -5.10 -4.09 3.42 7.64 0.70 -4.97 113.62 110.84 3dy3 n SER 71 Ca 0.12 -0.71 -0.12 0.00 1.01 0.00 0.00 58.87 59.16 3dy3 n SER 71 Cb 0.39 -4.23 -0.11 0.00 -1.01 0.00 0.00 64.21 59.25 3dy3 n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3dy3 s ARG 72 N -6.50 0.60 0.41 1.43 0.52 -1.08 -5.06 118.95 109.28 3dy3 s ARG 72 Ca 0.61 -0.89 -0.26 0.00 -0.52 0.00 0.00 55.73 54.67 3dy3 s ARG 72 Cb -0.30 -0.26 -0.09 0.00 0.52 0.00 0.00 34.95 34.82 3dy3 s ARG 72 CO 0.80 0.03 1.34 -1.21 0.02 0.00 0.00 175.30 176.28 3dy3 s GLU 73 N -2.11 3.91 0.44 3.54 0.41 -1.26 -4.51 118.70 119.11 3dy3 s GLU 73 Ca -0.05 2.24 -0.26 0.00 -0.41 0.00 0.00 54.97 56.49 3dy3 s GLU 73 Cb -0.06 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.46 3dy3 s GLU 73 CO -0.01 -0.57 1.44 -2.14 -0.49 0.00 0.00 175.26 173.49 3dy3 s PRO 74 N -2.28 3.76 -0.00 0.39 0.02 -1.26 -4.86 135.00 130.76 3dy3 s PRO 74 Ca 0.58 2.45 0.02 0.00 0.02 0.00 0.00 61.00 64.07 3dy3 s PRO 74 Cb -0.40 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 3dy3 s PRO 74 CO 0.51 -0.77 -0.01 1.03 -0.33 0.00 0.00 177.00 177.43 3dy3 s ARG 75 N -2.39 2.74 0.22 5.54 0.52 -1.26 -4.76 118.95 119.56 3dy3 s ARG 75 Ca 0.59 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 55.09 3dy3 s ARG 75 Cb -0.44 -2.64 0.18 0.00 0.52 0.00 0.00 34.95 32.56 3dy3 s ARG 75 CO 0.58 0.62 1.84 0.28 0.02 0.00 0.00 175.30 178.64 3dy3 h VAL 76 N 3.58 1.24 -0.01 3.52 2.07 -1.92 -1.85 116.25 122.88 3dy3 h VAL 76 Ca -0.49 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3dy3 h VAL 76 Cb 1.17 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3dy3 h VAL 76 CO 0.57 0.27 0.01 -0.37 0.02 0.00 0.00 177.57 178.06 3dy3 h VAL 77 N 1.15 0.73 -0.10 2.57 -1.51 -1.99 -1.23 116.25 115.87 3dy3 h VAL 77 Ca 0.29 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.71 3dy3 h VAL 77 Cb 0.03 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 30.18 3dy3 h VAL 77 CO -0.05 0.00 -0.15 0.28 -1.23 0.00 0.00 177.57 176.42 3dy3 h SER 78 N 0.00 0.31 -0.86 4.19 0.02 -1.76 -0.58 113.55 114.88 3dy3 h SER 78 Ca 0.00 -0.53 0.05 0.00 -0.84 0.00 0.00 61.79 60.48 3dy3 h SER 78 Cb 0.02 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 3dy3 h SER 78 CO -0.00 0.78 0.56 0.00 -1.14 0.00 0.00 176.83 177.03 3dy3 h ALA 79 N 0.54 1.52 -0.26 3.77 0.00 -1.19 -0.16 119.26 123.47 3dy3 h ALA 79 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3dy3 h ALA 79 Cb 0.71 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dy3 h ALA 79 CO 0.04 0.38 -0.01 1.25 0.00 0.00 0.00 179.25 180.91 3dy3 h LEU 80 N 1.01 0.46 -0.39 0.00 5.85 -1.10 -1.28 115.31 119.87 3dy3 h LEU 80 Ca 0.36 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 3dy3 h LEU 80 Cb 0.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3dy3 h LEU 80 CO -0.12 0.66 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.82 3dy3 h GLN 81 N 0.25 0.83 -0.53 1.25 5.75 -0.61 -1.80 115.11 120.25 3dy3 h GLN 81 Ca 0.07 -0.38 -0.08 0.00 -0.15 0.00 0.00 58.65 58.11 3dy3 h GLN 81 Cb 0.43 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3dy3 h GLN 81 CO 0.01 1.01 0.01 0.52 -2.65 0.00 0.00 178.83 177.74 3dy3 h MET 82 N 0.64 0.93 0.24 1.69 2.86 -1.04 -2.27 114.93 117.98 3dy3 h MET 82 Ca 0.08 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3dy3 h MET 82 Cb 0.78 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3dy3 h MET 82 CO 0.06 0.95 -0.11 -0.07 1.06 0.00 0.00 176.91 178.79 3dy3 h LEU 83 N 0.81 -0.27 -0.77 1.22 3.38 -1.20 -2.82 115.31 115.65 3dy3 h LEU 83 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3dy3 h LEU 83 Cb 0.52 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3dy3 h LEU 83 CO 0.03 0.03 0.44 0.07 0.09 0.00 0.00 178.44 179.09 3dy3 h LYS 84 N -0.58 1.07 0.00 1.13 2.10 -1.35 -0.43 116.57 118.51 3dy3 h LYS 84 Ca -0.03 -0.11 -0.04 0.00 -2.00 0.00 0.00 60.65 58.46 3dy3 h LYS 84 Cb 0.42 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 3dy3 h LYS 84 CO 0.05 0.78 -0.19 1.96 -2.00 0.00 0.00 179.45 180.05 3dy3 h GLN 85 N 1.07 0.00 0.01 0.07 4.20 -1.46 0.14 115.11 119.14 3dy3 h GLN 85 Ca 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 3dy3 h GLN 85 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3dy3 h GLN 85 CO -0.05 0.19 -0.00 1.25 -0.67 0.00 0.00 178.83 179.55 3dy3 h HIS 86 N 0.00 -0.01 -0.82 2.96 2.76 -1.13 -2.12 115.15 116.79 3dy3 h HIS 86 Ca -0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 3dy3 h HIS 86 Cb 0.48 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 3dy3 h HIS 86 CO 0.00 0.74 0.36 -0.07 -1.30 0.00 0.00 177.93 177.66 3dy3 h LEU 87 N -0.78 1.10 -0.73 0.26 3.38 -0.85 -2.51 115.31 115.18 3dy3 h LEU 87 Ca -0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3dy3 h LEU 87 Cb 0.75 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3dy3 h LEU 87 CO 0.00 0.94 0.08 0.15 0.09 0.00 0.00 178.44 179.71 3dy3 h PHE 88 N 1.18 1.12 -0.15 1.13 3.57 -0.78 -2.08 116.94 120.92 3dy3 h PHE 88 Ca 0.28 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3dy3 h PHE 88 Cb 0.16 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3dy3 h PHE 88 CO 0.02 0.95 0.11 -0.22 -2.23 0.00 0.00 178.31 176.94 3dy3 h LYS 89 N 0.98 0.00 -0.86 1.11 3.64 -0.95 -1.92 116.57 118.57 3dy3 h LYS 89 Ca 0.19 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.29 3dy3 h LYS 89 Cb 0.45 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.10 3dy3 h LYS 89 CO 0.01 0.00 0.36 0.66 -2.27 0.00 0.00 179.45 178.22 3dy3 n TYR 90 N -4.45 2.39 -3.62 1.91 4.01 -0.79 -4.94 117.16 111.67 3dy3 n TYR 90 Ca 0.01 -1.29 -0.26 0.00 -0.16 0.00 0.00 57.90 56.19 3dy3 n TYR 90 Cb 0.24 -0.72 -0.06 0.00 -0.31 0.00 0.00 39.34 38.50 3dy3 n TYR 90 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3dy3 n GLN 91 N -0.38 -0.86 -0.88 -0.72 1.13 -0.72 0.94 117.38 115.89 3dy3 n GLN 91 Ca 0.42 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 3dy3 n GLN 91 Cb 1.37 -2.93 0.00 0.00 0.11 0.00 0.00 30.24 28.79 3dy3 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dy3 n GLY 93 N -1.28 0.76 0.08 1.08 0.00 -1.21 -4.86 105.19 99.74 3dy3 n GLY 93 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3dy3 n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dy3 n HIS 94 N -2.00 0.44 -3.40 1.61 8.25 0.27 -4.09 115.22 116.30 3dy3 n HIS 94 Ca 0.00 0.19 -0.44 0.00 -0.26 0.00 0.00 57.72 57.20 3dy3 n HIS 94 Cb 0.00 -0.80 -0.06 0.00 1.12 0.00 0.00 29.99 30.25 3dy3 n HIS 94 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dy3 s ILE 95 N -3.20 4.90 -0.16 1.59 1.01 -1.26 -4.97 121.20 119.11 3dy3 s ILE 95 Ca 0.04 -1.52 -0.02 0.00 0.00 0.00 0.00 60.65 59.15 3dy3 s ILE 95 Cb 0.08 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 3dy3 s ILE 95 CO 0.29 -0.79 1.49 0.61 0.00 0.00 0.00 174.94 176.54 3dy3 n GLY 96 N 5.14 1.87 3.68 6.18 0.00 -1.26 -4.70 105.19 116.10 3dy3 n GLY 96 Ca -0.12 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3dy3 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy3 s ALA 97 N 2.95 3.60 -0.10 4.61 0.00 -1.26 -1.07 121.76 130.49 3dy3 s ALA 97 Ca 0.20 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 3dy3 s ALA 97 Cb 0.08 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 21.02 3dy3 s ALA 97 CO -0.01 -0.02 -0.08 0.71 0.00 0.00 0.00 175.76 176.37 3dy3 s TYR 98 N 0.72 1.40 0.05 0.00 2.02 -1.03 -1.12 117.35 119.38 3dy3 s TYR 98 Ca 0.07 -0.66 -0.00 0.00 -0.37 0.00 0.00 57.07 56.11 3dy3 s TYR 98 Cb -0.12 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 3dy3 s TYR 98 CO 0.01 -0.46 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.99 3dy3 s LEU 99 N 1.55 2.41 -0.20 -1.29 1.43 -0.33 -0.83 118.68 121.42 3dy3 s LEU 99 Ca 0.02 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3dy3 s LEU 99 Cb -0.13 0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.24 3dy3 s LEU 99 CO -0.06 -0.48 -0.16 -0.63 0.23 0.00 0.00 176.35 175.24 3dy3 s ILE 100 N -3.09 2.22 -0.14 -0.59 1.01 -0.55 -0.27 121.20 119.80 3dy3 s ILE 100 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 3dy3 s ILE 100 Cb 0.02 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3dy3 s ILE 100 CO -0.06 0.40 -0.11 0.54 0.00 0.00 0.00 174.94 175.71 3dy3 s VAL 101 N 1.27 3.20 0.09 2.92 0.11 -0.27 -2.09 120.40 125.62 3dy3 s VAL 101 Ca 0.02 -0.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 3dy3 s VAL 101 Cb -0.15 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.31 3dy3 s VAL 101 CO -0.10 0.51 -0.08 0.00 -3.33 0.00 0.00 175.10 172.10 3dy3 s ALA 102 N 0.42 0.95 0.00 1.54 0.00 -0.67 -1.15 121.76 122.84 3dy3 s ALA 102 Ca -0.09 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3dy3 s ALA 102 Cb -0.16 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3dy3 s ALA 102 CO 0.05 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3dy3 n GLY 103 N 0.46 0.60 3.27 0.00 0.00 -0.99 -0.32 105.19 108.21 3dy3 n GLY 103 Ca -0.16 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 3dy3 n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dy3 s VAL 104 N -2.00 1.68 0.37 1.61 -7.23 -0.69 -0.21 120.40 113.93 3dy3 s VAL 104 Ca 0.00 -1.37 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 3dy3 s VAL 104 Cb 0.00 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 35.48 3dy3 s VAL 104 CO 0.00 0.07 0.69 1.51 -0.31 0.00 0.00 175.10 177.05 3dy3 s ASP 105 N -1.54 0.31 0.62 4.85 3.84 -0.02 -4.73 116.67 120.00 3dy3 s ASP 105 Ca 0.07 -1.25 0.21 0.00 -0.00 0.00 0.00 52.55 51.58 3dy3 s ASP 105 Cb -0.09 0.79 0.91 0.00 -1.38 0.00 0.00 42.92 43.15 3dy3 s ASP 105 CO 0.03 -1.56 1.43 -0.65 -0.00 0.00 0.00 175.17 174.42 3dy3 h PRO 10 N 2.03 0.00 -0.02 2.11 0.11 -1.89 0.23 132.00 134.58 3dy3 h PRO 10 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3dy3 h PRO 10 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dy3 h PRO 10 CO 0.40 0.00 -0.20 0.25 -0.21 0.00 0.00 178.00 178.23 3dy3 n THR 106 N -3.12 0.00 0.00 -1.15 -2.24 -1.26 -5.08 114.28 101.42 3dy3 n THR 106 Ca 0.12 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3dy3 n THR 106 Cb 1.09 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 70.44 3dy3 n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dy3 n GLY 107 N 1.35 0.59 3.61 3.38 0.00 0.82 -5.06 105.19 109.88 3dy3 n GLY 107 Ca 0.13 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 3dy3 n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dy3 s SER 108 N -4.00 4.79 0.11 1.61 1.04 -1.26 -0.84 113.70 115.15 3dy3 s SER 108 Ca 0.00 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.49 3dy3 s SER 108 Cb 0.00 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 3dy3 s SER 108 CO 0.00 0.36 -0.12 -1.00 0.98 0.00 0.00 173.24 173.45 3dy3 s HIS 109 N -0.85 1.27 -0.18 5.02 3.76 0.71 -5.00 115.29 120.02 3dy3 s HIS 109 Ca 0.13 -0.59 -0.04 0.00 -0.15 0.00 0.00 55.06 54.41 3dy3 s HIS 109 Cb -0.11 -0.67 0.09 0.00 1.11 0.00 0.00 32.58 32.99 3dy3 s HIS 109 CO 0.02 0.09 0.28 -1.17 -0.85 0.00 0.00 174.74 173.11 3dy3 s LEU 110 N -2.45 -0.31 0.25 0.89 2.96 -1.26 -2.35 118.68 116.41 3dy3 s LEU 110 Ca 0.07 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3dy3 s LEU 110 Cb -0.04 0.70 -0.05 0.00 0.50 0.00 0.00 46.19 47.30 3dy3 s LEU 110 CO 0.02 -0.28 0.07 -0.36 -1.32 0.00 0.00 176.35 174.48 3dy3 s PHE 111 N 2.42 1.54 0.01 5.38 0.08 -0.30 -2.86 117.98 124.24 3dy3 s PHE 111 Ca 0.05 -1.12 0.02 0.00 0.12 0.00 0.00 56.93 56.00 3dy3 s PHE 111 Cb -0.14 -0.91 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3dy3 s PHE 111 CO -0.11 -0.26 -0.07 -1.54 -0.10 0.00 0.00 175.22 173.14 3dy3 s SER 112 N -3.31 0.76 -0.02 1.36 1.04 -0.44 -1.12 113.70 111.97 3dy3 s SER 112 Ca 0.35 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.57 3dy3 s SER 112 Cb 0.07 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 3dy3 s SER 112 CO 0.12 -0.02 -0.16 -0.63 0.98 0.00 0.00 173.24 173.53 3dy3 s ILE 113 N -0.56 1.31 0.15 -1.02 1.01 0.63 -1.36 121.20 121.35 3dy3 s ILE 113 Ca -0.02 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.01 3dy3 s ILE 113 Cb -0.05 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 3dy3 s ILE 113 CO 0.00 0.37 -0.03 -1.00 0.00 0.00 0.00 174.94 174.29 3dy3 s HIS 114 N -0.24 2.83 0.38 3.97 3.76 -0.69 -1.19 115.29 124.12 3dy3 s HIS 114 Ca 0.03 -0.13 0.22 0.00 -0.15 0.00 0.00 55.06 55.03 3dy3 s HIS 114 Cb -0.08 -1.41 1.32 0.00 1.11 0.00 0.00 32.58 33.52 3dy3 s HIS 114 CO 0.00 0.49 1.60 0.00 -0.85 0.00 0.00 174.74 175.99 3dy3 h ALA 115 N 3.02 2.27 0.00 -1.40 0.00 -1.40 0.43 119.26 122.17 3dy3 h ALA 115 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dy3 h ALA 115 Cb 1.19 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3dy3 h ALA 115 CO 0.57 -0.99 0.00 0.72 0.00 0.00 0.00 179.25 179.55 3dy3 n HIS 116 N -5.09 0.39 0.00 0.00 8.25 -1.26 -3.76 115.22 113.76 3dy3 n HIS 116 Ca 0.37 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 3dy3 n HIS 116 Cb 1.27 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.68 3dy3 n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dy3 n GLY 117 N 1.19 0.86 3.84 -1.41 0.00 0.15 -3.92 105.19 105.89 3dy3 n GLY 117 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3dy3 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dy3 s SER 118 N -1.32 6.30 0.05 1.61 1.04 -1.25 -4.79 113.70 115.34 3dy3 s SER 118 Ca 0.00 1.60 0.02 0.00 0.48 0.00 0.00 55.95 58.05 3dy3 s SER 118 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 3dy3 s SER 118 CO 0.00 -0.82 -0.07 0.42 0.98 0.00 0.00 173.24 173.75 3dy3 s THR 119 N -2.71 0.54 0.09 2.02 -4.23 -1.26 -1.71 115.64 108.38 3dy3 s THR 119 Ca 0.59 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 3dy3 s THR 119 Cb -0.12 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 3dy3 s THR 119 CO 0.38 -0.52 -0.11 -1.81 -0.54 0.00 0.00 174.62 172.02 3dy3 s ASP 120 N -1.96 1.46 0.03 3.99 1.01 -0.46 -4.97 116.67 115.77 3dy3 s ASP 120 Ca -0.05 -0.73 0.07 0.00 0.71 0.00 0.00 52.55 52.55 3dy3 s ASP 120 Cb -0.06 -0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 3dy3 s ASP 120 CO -0.01 -0.21 -0.20 0.54 0.21 0.00 0.00 175.17 175.50 3dy3 s VAL 121 N -2.02 1.64 0.05 -1.27 0.11 -1.26 -1.33 120.40 116.32 3dy3 s VAL 121 Ca 0.02 -1.14 -0.27 0.00 -2.93 0.00 0.00 61.98 57.66 3dy3 s VAL 121 Cb -0.06 -1.42 0.09 0.00 -1.53 0.00 0.00 36.38 33.47 3dy3 s VAL 121 CO 0.01 0.24 1.20 -0.83 -3.33 0.00 0.00 175.10 172.38 3dy3 s GLY 122 N -1.07 -0.08 0.17 6.54 0.00 -1.14 -5.02 107.32 106.72 3dy3 s GLY 122 Ca 0.07 -0.02 0.23 0.00 0.00 0.00 0.00 44.72 45.01 3dy3 s GLY 122 CO 0.01 3.90 1.12 -0.97 0.00 0.00 0.00 173.10 177.16 3dy3 h TYR 123 N 2.00 0.00 -2.32 1.90 -1.99 -1.93 -3.42 116.97 111.21 3dy3 h TYR 123 Ca -0.25 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.43 3dy3 h TYR 123 Cb 1.20 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 39.70 3dy3 h TYR 123 CO 1.26 0.00 -0.10 1.52 -0.00 0.00 0.00 178.16 180.84 3dy3 s TYR 124 N -3.30 -0.77 0.11 4.88 1.13 -1.26 -0.76 117.35 117.38 3dy3 s TYR 124 Ca 0.02 1.66 -0.03 0.00 -1.41 0.00 0.00 57.07 57.31 3dy3 s TYR 124 Cb 0.11 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 3dy3 s TYR 124 CO 0.77 -0.39 0.08 -0.51 -2.51 0.00 0.00 175.55 172.99 3dy3 s LEU 125 N 1.09 1.81 -0.04 -3.49 1.43 -0.15 -4.96 118.68 114.37 3dy3 s LEU 125 Ca -0.06 -1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 51.87 3dy3 s LEU 125 Cb -0.06 0.50 0.02 0.00 0.03 0.00 0.00 46.19 46.68 3dy3 s LEU 125 CO -0.10 -0.72 0.30 -0.94 0.23 0.00 0.00 176.35 175.12 3dy3 s SER 126 N -2.98 -0.21 0.14 2.29 1.04 -1.26 -0.83 113.70 111.88 3dy3 s SER 126 Ca 0.16 0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 3dy3 s SER 126 Cb 0.07 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3dy3 s SER 126 CO -0.03 -0.34 0.10 -0.76 0.98 0.00 0.00 173.24 173.18 3dy3 s LEU 127 N -0.90 1.63 0.00 2.42 1.43 -0.31 -4.91 118.68 118.04 3dy3 s LEU 127 Ca -0.10 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 3dy3 s LEU 127 Cb -0.05 0.46 0.00 0.00 0.03 0.00 0.00 46.19 46.64 3dy3 s LEU 127 CO 0.03 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.46 3dy3 n GLY 128 N -0.11 0.73 0.21 -3.19 0.00 -1.26 -1.77 105.19 99.79 3dy3 n GLY 128 Ca -0.06 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.91 3dy3 n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dy3 h SER 129 N 0.00 0.00 0.76 1.61 4.64 -1.34 -1.64 113.55 117.57 3dy3 h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dy3 h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dy3 h SER 129 CO 0.00 0.28 -0.05 0.61 -0.87 0.00 0.00 176.83 176.80 3dy3 n GLY 130 N -0.38 -1.36 0.20 -0.77 0.00 -0.04 -4.37 105.19 98.48 3dy3 n GLY 130 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 3dy3 n GLY 130 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dy3 n SER 131 N -1.38 -0.40 -0.00 1.61 2.88 -0.62 -0.27 113.62 115.44 3dy3 n SER 131 Ca 0.10 0.89 -0.05 0.00 -1.33 0.00 0.00 58.87 58.48 3dy3 n SER 131 Cb 0.30 -0.17 0.15 0.00 -0.75 0.00 0.00 64.21 63.74 3dy3 n SER 131 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3dy3 h LEU 132 N 0.00 0.55 -0.10 2.46 4.07 -1.82 -0.57 115.31 119.90 3dy3 h LEU 132 Ca 0.14 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 3dy3 h LEU 132 Cb 0.27 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 3dy3 h LEU 132 CO -0.49 0.84 0.01 0.00 -1.08 0.00 0.00 178.44 177.72 3dy3 h ALA 133 N 1.19 0.13 -0.53 1.53 0.00 -0.94 -1.99 119.26 118.65 3dy3 h ALA 133 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dy3 h ALA 133 Cb 0.79 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3dy3 h ALA 133 CO 0.06 -0.20 0.30 0.00 0.00 0.00 0.00 179.25 179.42 3dy3 h ALA 134 N 0.76 0.68 -0.08 0.00 0.00 -1.19 -2.72 119.26 116.71 3dy3 h ALA 134 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3dy3 h ALA 134 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dy3 h ALA 134 CO 0.00 0.18 -0.11 1.98 0.00 0.00 0.00 179.25 181.30 3dy3 h MET 135 N 0.71 0.11 -0.65 0.00 -1.53 -1.01 -1.90 114.93 110.66 3dy3 h MET 135 Ca 0.19 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.39 3dy3 h MET 135 Cb 0.02 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 3dy3 h MET 135 CO -0.03 0.23 0.28 0.00 0.14 0.00 0.00 176.91 177.53 3dy3 h ALA 136 N 1.78 0.85 -0.07 0.39 0.00 -1.03 0.52 119.26 121.69 3dy3 h ALA 136 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dy3 h ALA 136 Cb 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dy3 h ALA 136 CO 0.02 0.45 0.01 0.28 0.00 0.00 0.00 179.25 180.01 3dy3 h VAL 137 N 0.92 1.22 -0.89 0.00 2.07 -1.33 -2.24 116.25 116.01 3dy3 h VAL 137 Ca 0.22 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3dy3 h VAL 137 Cb 0.18 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 3dy3 h VAL 137 CO -0.02 0.19 0.57 -0.07 0.02 0.00 0.00 177.57 178.26 3dy3 h LEU 138 N -0.13 0.92 -0.47 2.57 3.38 -1.18 0.11 115.31 120.50 3dy3 h LEU 138 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dy3 h LEU 138 Cb 0.30 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dy3 h LEU 138 CO 0.00 0.62 0.00 -0.62 0.09 0.00 0.00 178.44 178.53 3dy3 n GLU 139 N -4.56 0.16 -0.01 1.13 -0.58 0.16 -1.47 120.64 115.47 3dy3 n GLU 139 Ca 0.12 0.36 0.07 0.00 -0.42 0.00 0.00 57.16 57.29 3dy3 n GLU 139 Cb 0.13 -1.78 -0.14 0.00 -0.57 0.00 0.00 31.44 29.07 3dy3 n GLU 139 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3dy3 n SER 140 N -2.07 0.15 0.00 1.62 7.64 0.20 -4.73 113.62 116.43 3dy3 n SER 140 Ca 0.03 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3dy3 n SER 140 Cb 0.24 1.56 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 3dy3 n SER 140 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3dy3 n HIS 141 N -2.42 0.00 -2.15 1.43 8.25 -0.16 -5.07 115.22 115.11 3dy3 n HIS 141 Ca -0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.01 3dy3 n HIS 141 Cb 0.68 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.79 3dy3 n HIS 141 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3dy3 s TRP 142 N -0.49 2.65 0.12 4.41 -0.00 -0.54 -5.02 118.94 120.06 3dy3 s TRP 142 Ca 0.00 1.51 -0.15 0.00 -0.00 0.00 0.00 56.10 57.46 3dy3 s TRP 142 Cb 0.00 -3.43 0.03 0.00 -0.00 0.00 0.00 33.47 30.07 3dy3 s TRP 142 CO 0.00 -1.85 0.38 -1.59 -0.00 0.00 0.00 176.95 173.89 3dy3 s LYS 143 N -3.00 1.03 0.44 5.86 -2.85 -1.26 -5.00 119.74 114.96 3dy3 s LYS 143 Ca 0.70 -0.71 -0.24 0.00 -1.00 0.00 0.00 55.97 54.72 3dy3 s LYS 143 Cb -0.29 0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 35.85 3dy3 s LYS 143 CO 0.34 -0.40 1.15 -1.14 0.10 0.00 0.00 175.35 175.41 3dy3 s GLN 144 N -3.72 3.88 -0.83 1.78 0.74 -1.26 -3.99 119.66 116.26 3dy3 s GLN 144 Ca 0.03 1.76 -0.00 0.00 0.05 0.00 0.00 55.36 57.19 3dy3 s GLN 144 Cb 0.02 -2.49 -0.00 0.00 1.10 0.00 0.00 33.01 31.64 3dy3 s GLN 144 CO -0.11 -0.44 0.69 -0.25 -0.55 0.00 0.00 175.29 174.63 3dy3 n ASP 145 N -0.30 -2.26 -4.83 6.67 9.92 -1.26 -5.01 116.55 119.49 3dy3 n ASP 145 Ca 0.06 -0.44 -0.32 0.00 -0.53 0.00 0.00 54.79 53.56 3dy3 n ASP 145 Cb 0.48 -3.73 -0.01 0.00 -0.64 0.00 0.00 41.12 37.21 3dy3 n ASP 145 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3dy3 s LEU 146 N -5.01 3.56 0.32 0.64 1.43 -1.26 -4.73 118.68 113.63 3dy3 s LEU 146 Ca 0.02 1.67 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 3dy3 s LEU 146 Cb -0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 3dy3 s LEU 146 CO 0.51 -0.84 0.52 0.42 0.23 0.00 0.00 176.35 177.19 3dy3 s THR 147 N -2.57 5.12 0.30 5.49 -4.23 -1.26 -0.35 115.64 118.14 3dy3 s THR 147 Ca 0.61 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 3dy3 s THR 147 Cb -0.13 -3.85 0.38 0.00 1.34 0.00 0.00 72.50 70.25 3dy3 s THR 147 CO 0.34 -0.50 1.59 0.50 -0.54 0.00 0.00 174.62 176.01 3dy3 h LYS 148 N 0.93 0.04 -0.27 3.99 3.64 -1.96 0.20 116.57 123.14 3dy3 h LYS 148 Ca -0.50 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.73 3dy3 h LYS 148 Cb 1.22 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3dy3 h LYS 148 CO 0.62 0.03 -0.45 0.93 -2.27 0.00 0.00 179.45 178.30 3dy3 h GLU 149 N 0.05 0.70 -0.00 1.90 3.07 -1.99 -1.91 114.58 116.39 3dy3 h GLU 149 Ca 0.58 -0.39 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3dy3 h GLU 149 Cb 1.21 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3dy3 h GLU 149 CO -0.85 1.01 0.00 0.93 -1.40 0.00 0.00 179.01 178.70 3dy3 h GLU 150 N 0.56 0.01 -0.46 2.33 5.08 -1.09 -1.76 114.58 119.25 3dy3 h GLU 150 Ca 0.03 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3dy3 h GLU 150 Cb 1.01 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 3dy3 h GLU 150 CO 0.10 0.17 0.12 0.00 -1.00 0.00 0.00 179.01 178.39 3dy3 h ALA 151 N 0.84 0.53 -0.65 3.43 0.00 -0.89 -0.79 119.26 121.74 3dy3 h ALA 151 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dy3 h ALA 151 Cb 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dy3 h ALA 151 CO -0.00 -0.28 0.40 0.82 0.00 0.00 0.00 179.25 180.19 3dy3 h ILE 152 N 0.27 1.18 0.42 0.00 2.04 -1.21 -1.06 117.51 119.16 3dy3 h ILE 152 Ca 0.22 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3dy3 h ILE 152 Cb 0.27 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3dy3 h ILE 152 CO -0.27 0.19 -0.26 0.50 0.00 0.00 0.00 178.15 178.32 3dy3 h LYS 153 N 0.88 -0.62 -0.35 2.37 3.11 -0.66 -0.80 116.57 120.50 3dy3 h LYS 153 Ca 0.23 0.04 0.07 0.00 -2.81 0.00 0.00 60.65 58.19 3dy3 h LYS 153 Cb -0.04 0.14 -0.07 0.00 -1.00 0.00 0.00 32.23 31.26 3dy3 h LYS 153 CO -0.04 -0.42 -0.10 1.25 -2.81 0.00 0.00 179.45 177.33 3dy3 h LEU 154 N -0.65 -0.38 -0.20 5.20 5.85 -1.01 0.31 115.31 124.43 3dy3 h LEU 154 Ca -0.05 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3dy3 h LEU 154 Cb 0.53 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3dy3 h LEU 154 CO 0.05 -0.14 0.05 0.00 -0.34 0.00 0.00 178.44 178.07 3dy3 h ALA 155 N 1.31 0.21 -0.84 1.25 0.00 -1.05 0.28 119.26 120.43 3dy3 h ALA 155 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dy3 h ALA 155 Cb 0.28 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3dy3 h ALA 155 CO -0.37 -0.38 0.53 1.03 0.00 0.00 0.00 179.25 180.06 3dy3 h SER 156 N 0.14 0.99 -0.22 0.00 0.87 -0.32 -1.46 113.55 113.55 3dy3 h SER 156 Ca 0.09 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 3dy3 h SER 156 Cb 0.07 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3dy3 h SER 156 CO -0.11 0.74 -0.10 0.44 -0.53 0.00 0.00 176.83 177.27 3dy3 h ASP 157 N 1.15 0.46 -0.67 6.23 3.45 0.11 -1.79 116.42 125.36 3dy3 h ASP 157 Ca 0.30 -0.41 0.04 0.00 0.43 0.00 0.00 57.03 57.40 3dy3 h ASP 157 Cb -0.09 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 38.51 3dy3 h ASP 157 CO -0.06 0.76 0.40 0.00 -1.57 0.00 0.00 179.24 178.78 3dy3 h ALA 158 N 0.71 0.89 -0.68 3.45 0.00 -0.59 -0.57 119.26 122.47 3dy3 h ALA 158 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dy3 h ALA 158 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3dy3 h ALA 158 CO 0.03 0.13 0.28 0.82 0.00 0.00 0.00 179.25 180.51 3dy3 h ILE 159 N 0.77 1.23 -0.58 0.00 1.08 -1.20 -1.92 117.51 116.90 3dy3 h ILE 159 Ca 0.28 -0.72 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 3dy3 h ILE 159 Cb 0.09 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3dy3 h ILE 159 CO -0.14 0.29 0.20 1.56 -0.69 0.00 0.00 178.15 179.38 3dy3 h GLN 160 N 0.98 0.86 -0.86 2.37 4.20 -0.30 0.01 115.11 122.37 3dy3 h GLN 160 Ca 0.23 -0.15 0.08 0.00 0.06 0.00 0.00 58.65 58.88 3dy3 h GLN 160 Cb 0.18 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 3dy3 h GLN 160 CO -0.02 0.73 0.56 0.00 -0.67 0.00 0.00 178.83 179.43 3dy3 h ALA 161 N 1.38 1.62 0.24 3.87 0.00 -0.35 -0.78 119.26 125.25 3dy3 h ALA 161 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dy3 h ALA 161 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dy3 h ALA 161 CO -0.01 0.22 -0.12 0.78 0.00 0.00 0.00 179.25 180.12 3dy3 h GLY 162 N 0.89 -0.34 -0.24 0.00 0.00 -0.95 -1.79 103.07 100.64 3dy3 h GLY 162 Ca 0.39 0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.96 3dy3 h GLY 162 CO -0.15 -0.12 -0.19 -2.22 0.00 0.00 0.00 176.54 173.86 3dy3 h ILE 163 N -0.86 0.35 -0.10 2.60 2.04 -0.62 0.32 117.51 121.24 3dy3 h ILE 163 Ca -0.03 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.64 3dy3 h ILE 163 Cb 0.51 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3dy3 h ILE 163 CO 0.05 0.00 -0.68 -0.50 0.00 0.00 0.00 178.15 177.03 3dy3 h TRP 164 N -0.04 0.88 0.00 1.37 -0.00 -1.25 -3.38 115.95 113.53 3dy3 h TRP 164 Ca 0.28 -0.41 0.00 0.00 -0.00 0.00 0.00 58.89 58.76 3dy3 h TRP 164 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.50 3dy3 h TRP 164 CO -0.52 1.22 -1.37 0.09 -0.00 0.00 0.00 178.44 177.86 3dy3 n ASN 165 N -4.08 0.52 -4.47 -3.49 4.13 -0.67 -4.91 115.26 102.29 3dy3 n ASN 165 Ca -0.08 -0.36 -0.35 0.00 1.68 0.00 0.00 54.58 55.47 3dy3 n ASN 165 Cb 0.69 1.28 -0.12 0.00 -1.54 0.00 0.00 39.78 40.09 3dy3 n ASN 165 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3dy3 s ASP 166 N -3.90 4.87 0.55 6.41 2.15 0.11 -4.98 116.67 121.88 3dy3 s ASP 166 Ca 0.01 -0.16 0.33 0.00 0.43 0.00 0.00 52.55 53.15 3dy3 s ASP 166 Cb 0.15 -1.82 1.48 0.00 -0.30 0.00 0.00 42.92 42.43 3dy3 s ASP 166 CO 0.86 0.10 2.04 -0.07 -0.17 0.00 0.00 175.17 177.93 3dy3 h LEU 167 N 7.23 0.00 -0.06 -1.34 3.38 -1.88 -2.23 115.31 120.41 3dy3 h LEU 167 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3dy3 h LEU 167 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dy3 h LEU 167 CO 0.62 0.06 -0.11 0.61 0.09 0.00 0.00 178.44 179.71 3dy3 n GLY 168 N -0.24 -1.27 3.36 0.83 0.00 -1.26 -4.85 105.19 101.76 3dy3 n GLY 168 Ca -0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 3dy3 n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dy3 s SER 169 N -2.77 2.92 0.00 1.61 0.01 -0.84 -0.48 113.70 114.15 3dy3 s SER 169 Ca 0.20 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.59 3dy3 s SER 169 Cb 0.19 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3dy3 s SER 169 CO 0.53 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.79 3dy3 n GLY 170 N 0.20 -1.38 7.00 3.44 0.00 -1.26 -4.54 105.19 108.66 3dy3 n GLY 170 Ca -0.12 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3dy3 n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dy3 n SER 171 N 0.83 0.00 -4.63 1.61 7.64 -1.26 -2.48 113.62 115.33 3dy3 n SER 171 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 3dy3 n SER 171 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 3dy3 n SER 171 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3dy3 n ASN 172 N 10.21 2.48 -4.08 6.43 5.03 -1.26 -4.26 115.26 129.81 3dy3 n ASN 172 Ca 0.00 -2.68 -0.31 0.00 0.87 0.00 0.00 54.58 52.46 3dy3 n ASN 172 Cb 0.00 -0.11 -0.16 0.00 -1.02 0.00 0.00 39.78 38.49 3dy3 n ASN 172 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dy3 s VAL 173 N -2.47 1.77 -0.10 2.41 1.01 -0.63 -2.46 120.40 119.92 3dy3 s VAL 173 Ca 0.34 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3dy3 s VAL 173 Cb -0.03 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3dy3 s VAL 173 CO 0.22 0.49 -0.00 -1.81 0.00 0.00 0.00 175.10 174.00 3dy3 s ASP 174 N 1.25 5.17 0.10 3.32 1.01 -0.02 -0.28 116.67 127.22 3dy3 s ASP 174 Ca 0.01 0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.41 3dy3 s ASP 174 Cb -0.14 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 3dy3 s ASP 174 CO -0.08 0.33 -0.11 -0.69 0.21 0.00 0.00 175.17 174.83 3dy3 s VAL 175 N -0.62 1.00 -0.12 -1.27 1.01 -0.96 -1.50 120.40 117.93 3dy3 s VAL 175 Ca 0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 3dy3 s VAL 175 Cb -0.12 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.93 3dy3 s VAL 175 CO 0.02 -0.54 0.19 0.00 0.00 0.00 0.00 175.10 174.77 3dy3 s VAL 177 N 2.32 5.18 -0.42 0.00 1.01 -0.36 -2.36 120.40 125.77 3dy3 s VAL 177 Ca 0.04 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3dy3 s VAL 177 Cb -0.13 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 32.96 3dy3 s VAL 177 CO -0.08 0.37 0.15 -0.04 0.00 0.00 0.00 175.10 175.50 3dy3 s MET 178 N 0.92 1.73 0.01 2.72 -1.94 -0.08 0.10 119.30 122.76 3dy3 s MET 178 Ca 0.07 -2.14 -0.16 0.00 -1.71 0.00 0.00 55.69 51.75 3dy3 s MET 178 Cb -0.13 -3.30 -0.06 0.00 2.01 0.00 0.00 34.83 33.35 3dy3 s MET 178 CO 0.03 -1.02 0.44 -2.00 -0.01 0.00 0.00 175.02 172.46 3dy3 s GLU 179 N 0.49 3.98 0.33 2.03 2.12 -1.26 -1.23 118.70 125.15 3dy3 s GLU 179 Ca 0.13 0.47 0.11 0.00 0.36 0.00 0.00 54.97 56.04 3dy3 s GLU 179 Cb -0.22 -3.23 0.96 0.00 0.26 0.00 0.00 34.13 31.90 3dy3 s GLU 179 CO -0.05 0.67 1.69 0.82 -0.54 0.00 0.00 175.26 177.84 3dy3 h ILE 180 N 3.71 0.39 0.00 -3.70 2.04 -1.12 -2.79 117.51 116.03 3dy3 h ILE 180 Ca -0.51 -0.14 -0.28 0.00 1.00 0.00 0.00 64.86 64.93 3dy3 h ILE 180 Cb 1.22 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3dy3 h ILE 180 CO 0.62 0.07 -1.71 0.61 0.00 0.00 0.00 178.15 177.74 3dy3 n GLY 181 N -1.31 -1.02 0.81 5.37 0.00 -1.26 -4.93 105.19 102.86 3dy3 n GLY 181 Ca 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 3dy3 n GLY 181 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dy3 n LYS 182 N -3.02 0.83 -2.62 1.61 5.02 -1.06 -5.10 118.16 113.83 3dy3 n LYS 182 Ca -0.17 -0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 55.16 3dy3 n LYS 182 Cb 1.04 -0.07 -0.05 0.00 -0.02 0.00 0.00 35.03 35.93 3dy3 n LYS 182 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dy3 s ASP 183 N -1.77 6.69 0.30 4.39 -0.00 -1.26 -4.66 116.67 120.36 3dy3 s ASP 183 Ca 0.13 1.70 -0.29 0.00 -0.00 0.00 0.00 52.55 54.09 3dy3 s ASP 183 Cb -0.01 -2.53 -0.10 0.00 -0.00 0.00 0.00 42.92 40.28 3dy3 s ASP 183 CO 0.08 -0.54 1.18 0.00 -0.00 0.00 0.00 175.17 175.89 3dy3 s ALA 184 N -2.28 3.44 -0.28 5.23 0.00 -1.26 -4.59 121.76 122.02 3dy3 s ALA 184 Ca 0.62 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.63 3dy3 s ALA 184 Cb -0.11 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.69 3dy3 s ALA 184 CO 0.20 -0.34 -0.06 -1.83 0.00 0.00 0.00 175.76 173.74 3dy3 s GLU 185 N -1.54 2.23 -0.29 0.00 -1.05 0.11 -4.95 118.70 113.21 3dy3 s GLU 185 Ca 0.46 -1.38 -0.29 0.00 -0.15 0.00 0.00 54.97 53.61 3dy3 s GLU 185 Cb -0.35 -3.01 0.01 0.00 -0.44 0.00 0.00 34.13 30.34 3dy3 s GLU 185 CO 0.45 -0.62 1.14 -0.47 0.95 0.00 0.00 175.26 176.71 3dy3 s TYR 186 N 1.13 3.03 -0.91 4.83 5.04 -1.26 -1.22 117.35 127.98 3dy3 s TYR 186 Ca -0.06 1.12 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 3dy3 s TYR 186 Cb -0.20 -3.68 0.25 0.00 0.35 0.00 0.00 41.96 38.67 3dy3 s TYR 186 CO -0.04 -1.06 0.94 1.28 -1.34 0.00 0.00 175.55 175.33 3dy3 n LEU 187 N 6.97 4.68 -4.75 6.97 4.77 0.37 -4.98 117.00 131.04 3dy3 n LEU 187 Ca 0.13 -5.20 -0.42 0.00 -0.03 0.00 0.00 56.01 50.50 3dy3 n LEU 187 Cb 0.47 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 3dy3 n LEU 187 CO 0.59 1.66 1.28 -0.60 -1.33 0.00 0.00 177.39 178.99 3dy3 s ARG 189 N -1.84 4.11 -1.38 3.23 6.06 -1.26 -2.27 118.95 125.59 3dy3 s ARG 189 Ca 0.31 2.61 -0.04 0.00 -2.50 0.00 0.00 55.73 56.11 3dy3 s ARG 189 Cb -0.01 -3.02 0.02 0.00 0.06 0.00 0.00 34.95 32.00 3dy3 s ARG 189 CO -0.06 -0.67 0.76 0.09 -2.50 0.00 0.00 175.30 172.92 3dy3 n ASN 190 N 2.48 -2.13 -0.13 -2.12 4.13 -1.25 -4.84 115.26 111.40 3dy3 n ASN 190 Ca 0.10 -0.82 0.13 0.00 1.68 0.00 0.00 54.58 55.66 3dy3 n ASN 190 Cb 0.37 -3.94 0.49 0.00 -1.54 0.00 0.00 39.78 35.16 3dy3 n ASN 190 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3dy3 h TYR 191 N -1.93 0.49 -4.07 3.10 5.03 -0.32 -3.40 116.97 115.87 3dy3 h TYR 191 Ca -0.60 0.01 -0.43 0.00 2.58 0.00 0.00 58.73 60.29 3dy3 h TYR 191 Cb 1.36 -0.16 -0.29 0.00 1.55 0.00 0.00 36.73 39.20 3dy3 h TYR 191 CO 0.50 0.22 -0.79 -0.51 -1.32 0.00 0.00 178.16 176.25 3dy3 s LEU 192 N -9.39 2.00 -0.40 2.82 1.43 -0.82 -4.99 118.68 109.33 3dy3 s LEU 192 Ca -0.08 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3dy3 s LEU 192 Cb 0.20 -0.56 0.25 0.00 0.03 0.00 0.00 46.19 46.11 3dy3 s LEU 192 CO 0.76 0.13 0.53 0.35 0.23 0.00 0.00 176.35 178.35 3dy3 n THR 193 N 2.86 -0.68 0.90 5.49 -2.24 -1.26 -1.61 114.28 117.75 3dy3 n THR 193 Ca -0.14 -3.85 0.04 0.00 -2.27 0.00 0.00 64.05 57.83 3dy3 n THR 193 Cb 0.56 -1.77 0.13 0.00 -2.10 0.00 0.00 70.33 67.16 3dy3 n THR 193 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3dy3 n PRO 194 N 1.48 1.85 -3.15 -0.78 -0.04 -1.26 -4.50 135.00 128.60 3dy3 n PRO 194 Ca 0.21 -1.06 -0.24 0.00 -0.04 0.00 0.00 63.50 62.37 3dy3 n PRO 194 Cb 0.53 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 3dy3 n PRO 194 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dy3 n ASN 195 N 0.31 2.54 -4.68 3.54 3.02 -1.26 -5.07 115.26 113.66 3dy3 n ASN 195 Ca 0.10 -3.27 -0.40 0.00 -0.03 0.00 0.00 54.58 50.98 3dy3 n ASN 195 Cb 0.33 -0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 3dy3 n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dy3 s VAL 196 N -2.91 5.02 0.19 2.41 1.01 -1.26 -4.96 120.40 119.89 3dy3 s VAL 196 Ca 0.42 1.30 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 3dy3 s VAL 196 Cb 0.25 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 3dy3 s VAL 196 CO -0.09 0.15 1.52 -0.60 0.00 0.00 0.00 175.10 176.08 3dy3 s ARG 197 N 1.54 4.23 0.83 2.72 3.52 -1.26 -4.96 118.95 125.57 3dy3 s ARG 197 Ca 0.32 2.33 -0.11 0.00 -0.13 0.00 0.00 55.73 58.14 3dy3 s ARG 197 Cb -0.16 -3.14 0.10 0.00 -1.56 0.00 0.00 34.95 30.18 3dy3 s ARG 197 CO 0.13 -0.54 1.15 -1.83 -0.81 0.00 0.00 175.30 173.40 3dy3 s GLU 198 N 0.65 1.59 0.16 5.12 -1.05 -1.26 -4.89 118.70 119.01 3dy3 s GLU 198 Ca 0.66 1.52 -0.32 0.00 -0.15 0.00 0.00 54.97 56.69 3dy3 s GLU 198 Cb -0.43 -1.79 -0.10 0.00 -0.44 0.00 0.00 34.13 31.36 3dy3 s GLU 198 CO 0.35 -2.20 1.64 -2.00 0.95 0.00 0.00 175.26 174.00 3dy3 s GLU 199 N -4.50 4.18 0.74 -4.83 2.12 -1.26 -4.93 118.70 110.22 3dy3 s GLU 199 Ca 0.68 2.45 -0.15 0.00 0.36 0.00 0.00 54.97 58.30 3dy3 s GLU 199 Cb -0.23 -3.23 0.04 0.00 0.26 0.00 0.00 34.13 30.97 3dy3 s GLU 199 CO 0.54 -0.68 1.25 0.15 -0.54 0.00 0.00 175.26 175.97 3dy3 s LYS 200 N 1.49 2.00 0.27 4.30 1.02 -1.26 -4.90 119.74 122.66 3dy3 s LYS 200 Ca 0.73 1.90 0.24 0.00 0.02 0.00 0.00 55.97 58.85 3dy3 s LYS 200 Cb -0.45 -1.80 0.99 0.00 -0.52 0.00 0.00 37.83 36.05 3dy3 s LYS 200 CO 0.32 -1.97 1.72 0.94 -0.92 0.00 0.00 175.35 175.44 3dy3 n GLN 201 N -2.72 0.20 -3.43 1.68 -0.06 -1.26 -4.84 117.38 106.95 3dy3 n GLN 201 Ca 0.15 0.43 -0.12 0.00 -2.00 0.00 0.00 57.00 55.45 3dy3 n GLN 201 Cb 0.49 -1.88 -0.02 0.00 -4.06 0.00 0.00 30.24 24.77 3dy3 n GLN 201 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3dy3 s LYS 202 N -3.32 1.23 -0.13 3.69 2.20 -1.26 -5.15 119.74 116.99 3dy3 s LYS 202 Ca 0.04 -0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 55.12 3dy3 s LYS 202 Cb 0.09 0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 36.94 3dy3 s LYS 202 CO 0.40 -0.54 0.16 0.45 -0.36 0.00 0.00 175.35 175.47 3dy3 s SER 203 N -2.70 6.38 -0.26 1.43 0.15 -1.26 -4.98 113.70 112.45 3dy3 s SER 203 Ca 0.01 0.46 0.12 0.00 0.70 0.00 0.00 55.95 57.24 3dy3 s SER 203 Cb -0.01 -2.09 0.61 0.00 -1.71 0.00 0.00 66.02 62.82 3dy3 s SER 203 CO -0.12 0.34 1.59 -1.22 1.20 0.00 0.00 173.24 175.02 3dy3 n TYR 204 N 2.37 1.57 -1.98 3.44 4.01 -1.26 -4.95 117.16 120.36 3dy3 n TYR 204 Ca -0.18 -1.17 -0.42 0.00 -0.16 0.00 0.00 57.90 55.96 3dy3 n TYR 204 Cb 0.54 -0.50 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 3dy3 n TYR 204 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3dy3 s LYS 205 N -2.99 4.08 0.48 -0.72 2.20 -1.26 -4.97 119.74 116.56 3dy3 s LYS 205 Ca 0.48 2.14 -0.19 0.00 -0.36 0.00 0.00 55.97 58.04 3dy3 s LYS 205 Cb 0.40 -4.02 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 3dy3 s LYS 205 CO 0.09 -0.97 0.97 -0.06 -0.36 0.00 0.00 175.35 175.02 3dy3 s PHE 206 N 4.40 3.38 0.19 4.03 0.08 -1.26 -5.03 117.98 123.77 3dy3 s PHE 206 Ca 0.75 1.54 -0.30 0.00 0.12 0.00 0.00 56.93 59.04 3dy3 s PHE 206 Cb -0.33 -2.82 -0.08 0.00 -0.57 0.00 0.00 43.02 39.22 3dy3 s PHE 206 CO 0.31 -0.26 1.01 -1.25 -0.10 0.00 0.00 175.22 174.92 3dy3 s PRO 207 N -3.65 4.72 0.31 0.24 0.04 -1.26 -4.96 135.00 130.45 3dy3 s PRO 207 Ca 0.60 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.94 3dy3 s PRO 207 Cb -0.10 -3.30 -0.13 0.00 0.04 0.00 0.00 34.50 31.02 3dy3 s PRO 207 CO 0.23 0.28 1.18 0.54 0.04 0.00 0.00 177.00 179.26 3dy3 n ARG 208 N 2.07 1.79 -0.25 4.56 1.74 -1.26 -1.76 116.66 123.54 3dy3 n ARG 208 Ca 0.01 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3dy3 n ARG 208 Cb 0.47 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 3dy3 n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dy3 n GLY 209 N 1.04 0.73 0.23 -0.13 0.00 -1.26 -4.93 105.19 100.87 3dy3 n GLY 209 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3dy3 n GLY 209 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dy3 h THR 210 N 0.00 0.88 -3.02 2.61 2.02 -1.73 -3.43 112.91 110.25 3dy3 h THR 210 Ca 0.00 -0.81 -0.62 0.00 0.77 0.00 0.00 66.41 65.75 3dy3 h THR 210 Cb 0.00 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 3dy3 h THR 210 CO 0.00 0.21 -0.29 -0.89 0.37 0.00 0.00 175.52 174.92 3dy3 s THR 211 N -4.23 5.21 -0.21 3.16 2.01 -1.26 -5.06 115.64 115.26 3dy3 s THR 211 Ca -0.03 0.64 -0.24 0.00 0.31 0.00 0.00 61.69 62.37 3dy3 s THR 211 Cb 0.14 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 3dy3 s THR 211 CO 0.65 0.53 0.78 0.00 -0.69 0.00 0.00 174.62 175.89 3dy3 s ALA 212 N -0.59 3.58 -0.12 7.40 0.00 -1.26 -5.05 121.76 125.71 3dy3 s ALA 212 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 3dy3 s ALA 212 Cb -0.15 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3dy3 s ALA 212 CO 0.09 -0.74 -0.01 0.08 0.00 0.00 0.00 175.76 175.18 3dy3 s VAL 213 N 2.38 4.19 -0.13 0.00 1.01 -1.26 -5.02 120.40 121.56 3dy3 s VAL 213 Ca 0.34 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3dy3 s VAL 213 Cb -0.16 -2.80 -0.25 0.00 0.00 0.00 0.00 36.38 33.17 3dy3 s VAL 213 CO 0.10 0.54 0.33 0.18 0.00 0.00 0.00 175.10 176.25 3dy3 n LEU 214 N 2.84 2.56 -3.71 3.92 4.77 -1.26 -5.00 117.00 121.12 3dy3 n LEU 214 Ca -0.18 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 3dy3 n LEU 214 Cb 0.53 -1.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 3dy3 n LEU 214 CO 0.31 0.84 0.11 -0.75 -1.33 0.00 0.00 177.39 176.57 3dy3 s LYS 215 N -2.56 0.67 0.05 3.23 2.20 -1.26 -5.17 119.74 116.90 3dy3 s LYS 215 Ca -0.22 0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 3dy3 s LYS 215 Cb 0.07 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 3dy3 s LYS 215 CO 0.76 -0.16 -0.11 -2.00 -0.36 0.00 0.00 175.35 173.48 3dy3 s GLU 216 N -0.77 0.67 0.08 4.03 2.12 -1.26 -5.15 118.70 118.42 3dy3 s GLU 216 Ca -0.08 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.20 3dy3 s GLU 216 Cb -0.04 -0.56 0.08 0.00 0.26 0.00 0.00 34.13 33.88 3dy3 s GLU 216 CO 0.04 0.12 0.79 -1.54 -0.54 0.00 0.00 175.26 174.13 3dy3 s SER 217 N -1.48 -0.41 -0.15 -1.70 1.04 -1.26 -5.15 113.70 104.58 3dy3 s SER 217 Ca -0.05 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 3dy3 s SER 217 Cb -0.09 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3dy3 s SER 217 CO 0.01 -0.81 0.09 -0.63 0.98 0.00 0.00 173.24 172.89 3dy3 s ILE 218 N -3.40 5.06 0.06 -1.02 1.01 -1.26 -5.09 121.20 116.57 3dy3 s ILE 218 Ca 0.05 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3dy3 s ILE 218 Cb -0.01 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 3dy3 s ILE 218 CO -0.09 0.52 0.53 -0.69 0.00 0.00 0.00 174.94 175.21 3dy3 s VAL 219 N -0.20 4.82 -0.45 2.92 1.01 -1.26 -5.05 120.40 122.19 3dy3 s VAL 219 Ca 0.09 1.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 3dy3 s VAL 219 Cb -0.12 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3dy3 s VAL 219 CO 0.01 0.53 0.52 0.21 0.00 0.00 0.00 175.10 176.38 3dy3 s ASN 220 N -1.16 6.23 -0.09 3.32 2.47 -1.26 -4.88 114.94 119.57 3dy3 s ASN 220 Ca 0.28 -0.71 0.17 0.00 0.42 0.00 0.00 52.86 53.02 3dy3 s ASN 220 Cb -0.18 -2.26 -0.23 0.00 -1.45 0.00 0.00 41.25 37.13 3dy3 s ASN 220 CO 0.18 -0.71 0.42 -0.38 -3.72 0.00 0.00 177.10 172.89 3dy3 n ILE 221 N 5.55 1.27 -2.38 -5.21 -0.00 -1.26 -4.89 119.36 112.44 3dy3 n ILE 221 Ca -0.06 -0.77 -0.42 0.00 -0.00 0.00 0.00 62.75 61.49 3dy3 n ILE 221 Cb 0.47 -0.62 -0.03 0.00 -0.00 0.00 0.00 39.64 39.46 3dy3 n ILE 221 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55