#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssd s PRO 3 N 0.00 0.00 -0.03 0.00 0.04 -1.26 -4.72 135.00 129.03 1ssd s PRO 3 Ca 0.00 0.34 0.04 0.00 0.04 0.00 0.00 61.00 61.42 1ssd s PRO 3 Cb 0.00 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 1ssd s PRO 3 CO 0.00 -2.98 -0.13 1.03 0.04 0.00 0.00 177.00 174.96 1ssd s ARG 4 N -5.08 2.45 0.27 4.56 0.52 -1.26 -5.00 118.95 115.40 1ssd s ARG 4 Ca 0.67 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 1ssd s ARG 4 Cb -0.16 -2.38 -0.11 0.00 0.52 0.00 0.00 34.95 32.82 1ssd s ARG 4 CO 0.57 0.61 1.52 0.21 0.02 0.00 0.00 175.30 178.23 1ssd s LYS 5 N -0.97 4.19 0.33 3.54 2.20 -1.26 -4.94 119.74 122.82 1ssd s LYS 5 Ca 0.13 2.45 -0.29 0.00 -0.36 0.00 0.00 55.97 57.90 1ssd s LYS 5 Cb -0.11 -3.07 -0.11 0.00 -1.51 0.00 0.00 37.83 33.04 1ssd s LYS 5 CO 0.02 -0.53 1.46 0.12 -0.36 0.00 0.00 175.35 176.06 1ssd s PHE 6 N 0.02 2.80 -0.04 4.03 2.19 -1.24 -4.88 117.98 120.85 1ssd s PHE 6 Ca 0.62 1.13 0.02 0.00 0.33 0.00 0.00 56.93 59.02 1ssd s PHE 6 Cb -0.45 -3.92 0.01 0.00 -1.31 0.00 0.00 43.02 37.36 1ssd s PHE 6 CO 0.45 -2.78 -0.08 0.12 1.83 0.00 0.00 175.22 174.76 1ssd s PHE 7 N -0.72 1.00 -0.17 10.12 2.19 -0.49 -1.14 117.98 128.77 1ssd s PHE 7 Ca 0.55 -0.30 -0.03 0.00 0.33 0.00 0.00 56.93 57.48 1ssd s PHE 7 Cb -0.44 -0.76 0.05 0.00 -1.31 0.00 0.00 43.02 40.56 1ssd s PHE 7 CO 0.55 -0.17 0.05 0.08 1.83 0.00 0.00 175.22 177.55 1ssd s VAL 8 N 0.55 0.33 -0.08 3.12 1.01 -0.36 -1.23 120.40 123.74 1ssd s VAL 8 Ca -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ssd s VAL 8 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1ssd s VAL 8 CO 0.01 -0.15 0.14 -0.83 0.00 0.00 0.00 175.10 174.27 1ssd s GLY 9 N 1.95 2.13 -0.21 4.51 0.00 -0.18 -2.20 107.32 113.33 1ssd s GLY 9 Ca 0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 1ssd s GLY 9 CO -0.08 -0.50 -0.08 -0.32 0.00 0.00 0.00 173.10 172.13 1ssd s GLY 10 N -1.32 1.55 -0.55 0.20 0.00 0.22 -0.47 107.32 106.97 1ssd s GLY 10 Ca 0.19 -1.18 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 1ssd s GLY 10 CO 0.09 0.39 0.48 0.21 0.00 0.00 0.00 173.10 174.26 1ssd s ASN 11 N 1.43 6.07 0.30 1.64 2.47 0.65 0.30 114.94 127.81 1ssd s ASN 11 Ca 0.06 -1.95 0.25 0.00 0.42 0.00 0.00 52.86 51.63 1ssd s ASN 11 Cb -0.14 -2.14 1.06 0.00 -1.45 0.00 0.00 41.25 38.58 1ssd s ASN 11 CO -0.06 -0.77 1.75 -0.50 -3.72 0.00 0.00 177.10 173.81 1ssd h TRP 12 N 8.59 0.00 0.00 0.43 6.55 -1.74 -3.41 115.95 126.36 1ssd h TRP 12 Ca -0.22 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.62 1ssd h TRP 12 Cb 1.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 1ssd h TRP 12 CO 0.73 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.75 1ssd n LYS 13 N -2.35 0.00 -2.49 0.49 5.02 -1.26 -3.10 118.16 114.47 1ssd n LYS 13 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1ssd n LYS 13 Cb 0.22 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.24 1ssd n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1ssd n MET 14 N 11.69 4.37 -4.04 1.97 0.00 -1.26 -4.29 117.12 125.56 1ssd n MET 14 Ca 0.00 -3.97 -0.12 0.00 0.00 0.00 0.00 57.70 53.60 1ssd n MET 14 Cb 0.00 -2.67 -0.12 0.00 0.00 0.00 0.00 33.22 30.43 1ssd n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1ssd s ASN 15 N -0.34 0.59 0.00 6.12 0.01 -1.18 -5.14 114.94 114.99 1ssd s ASN 15 Ca 0.40 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1ssd s ASN 15 Cb 0.12 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.81 1ssd s ASN 15 CO -0.01 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 1ssd n GLY 16 N 1.82 2.58 2.74 0.66 0.00 -1.26 -4.84 105.19 106.89 1ssd n GLY 16 Ca -0.21 -1.98 -0.19 0.00 0.00 0.00 0.00 46.02 43.65 1ssd n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ssd n ASP 17 N 0.00 0.22 -0.33 1.61 5.68 -1.26 -4.98 116.55 117.49 1ssd n ASP 17 Ca 0.00 -2.82 0.01 0.00 -0.50 0.00 0.00 54.79 51.47 1ssd n ASP 17 Cb 0.00 1.15 0.14 0.00 -1.14 0.00 0.00 41.12 41.27 1ssd n ASP 17 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1ssd h LYS 18 N 0.00 1.03 -0.01 0.11 1.57 -1.99 -0.19 116.57 117.10 1ssd h LYS 18 Ca -0.23 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ssd h LYS 18 Cb 1.01 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1ssd h LYS 18 CO 0.35 0.68 0.00 -0.22 -0.57 0.00 0.00 179.45 179.69 1ssd h LYS 19 N 1.06 0.01 0.02 3.15 3.64 -1.98 -0.81 116.57 121.67 1ssd h LYS 19 Ca 0.38 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.55 1ssd h LYS 19 Cb 0.12 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1ssd h LYS 19 CO -0.16 0.29 -0.98 0.66 -2.27 0.00 0.00 179.45 176.99 1ssd h SER 20 N -0.27 0.13 0.46 4.20 4.64 -1.92 -2.51 113.55 118.28 1ssd h SER 20 Ca 0.00 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.05 1ssd h SER 20 Cb 0.29 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1ssd h SER 20 CO 0.00 1.03 -0.61 -0.07 -0.87 0.00 0.00 176.83 176.31 1ssd h LEU 21 N 0.04 0.17 -0.75 5.97 3.38 -1.10 -2.56 115.31 120.46 1ssd h LEU 21 Ca -0.04 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1ssd h LEU 21 Cb 1.69 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 1ssd h LEU 21 CO 0.14 0.74 0.18 1.23 0.09 0.00 0.00 178.44 180.83 1ssd h GLY 22 N 1.61 1.21 1.00 0.83 0.00 -1.04 -1.35 103.07 105.33 1ssd h GLY 22 Ca -0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 1ssd h GLY 22 CO 0.09 0.70 -0.04 0.83 0.00 0.00 0.00 176.54 178.11 1ssd h GLU 23 N 1.07 0.84 -0.59 4.80 5.08 -1.39 -2.20 114.58 122.19 1ssd h GLU 23 Ca 0.23 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1ssd h GLU 23 Cb 0.35 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1ssd h GLU 23 CO -0.00 0.91 0.12 1.25 -1.00 0.00 0.00 179.01 180.29 1ssd h LEU 24 N 0.68 0.92 -0.87 1.33 5.85 -1.31 -2.13 115.31 119.77 1ssd h LEU 24 Ca 0.13 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1ssd h LEU 24 Cb 0.56 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ssd h LEU 24 CO 0.03 0.93 -0.17 0.40 -0.34 0.00 0.00 178.44 179.29 1ssd h ILE 25 N 0.87 1.26 -0.05 4.05 2.04 -1.14 -1.92 117.51 122.61 1ssd h ILE 25 Ca 0.18 -1.20 -0.13 0.00 1.00 0.00 0.00 64.86 64.71 1ssd h ILE 25 Cb 0.39 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1ssd h ILE 25 CO 0.01 0.40 -0.56 -0.74 0.00 0.00 0.00 178.15 177.25 1ssd h HIS 26 N 0.58 0.19 -0.27 1.37 2.76 -1.23 -1.04 115.15 117.52 1ssd h HIS 26 Ca 0.09 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1ssd h HIS 26 Cb 0.62 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1ssd h HIS 26 CO 0.03 0.68 0.02 1.15 -1.30 0.00 0.00 177.93 178.50 1ssd h THR 27 N 0.12 1.25 -0.36 6.26 2.02 -0.80 -2.71 112.91 118.69 1ssd h THR 27 Ca -0.00 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 1ssd h THR 27 Cb 1.03 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1ssd h THR 27 CO 0.08 0.28 -0.07 -0.07 0.37 0.00 0.00 175.52 176.11 1ssd h LEU 28 N 0.25 0.57 -1.15 2.58 3.38 -1.29 -2.17 115.31 117.48 1ssd h LEU 28 Ca 0.08 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1ssd h LEU 28 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ssd h LEU 28 CO 0.01 0.69 -0.33 0.78 0.09 0.00 0.00 178.44 179.68 1ssd h ASN 29 N 0.56 0.00 -0.16 -0.43 2.35 -0.99 -2.81 115.58 114.09 1ssd h ASN 29 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1ssd h ASN 29 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1ssd h ASN 29 CO 0.02 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.74 1ssd n GLY 30 N -0.03 0.88 3.80 2.83 0.00 -1.04 -5.00 105.19 106.63 1ssd n GLY 30 Ca -0.01 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1ssd n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssd s ALA 31 N -1.16 2.89 -0.56 4.61 0.00 -0.82 -5.00 121.76 121.72 1ssd s ALA 31 Ca 0.22 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 1ssd s ALA 31 Cb 0.14 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.02 1ssd s ALA 31 CO 0.19 -0.31 1.27 0.15 0.00 0.00 0.00 175.76 177.06 1ssd s LYS 32 N -3.15 3.47 0.05 0.00 1.02 -1.26 -5.03 119.74 114.84 1ssd s LYS 32 Ca 0.66 0.37 0.03 0.00 0.02 0.00 0.00 55.97 57.05 1ssd s LYS 32 Cb -0.17 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.06 1ssd s LYS 32 CO 0.21 -1.73 0.02 -0.51 -0.92 0.00 0.00 175.35 172.41 1ssd s LEU 33 N 5.27 3.55 0.08 3.17 1.43 -1.26 -4.98 118.68 125.94 1ssd s LEU 33 Ca 0.47 -0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 1ssd s LEU 33 Cb -0.09 -2.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.88 1ssd s LEU 33 CO 0.26 0.22 1.53 -0.55 0.23 0.00 0.00 176.35 178.04 1ssd s SER 34 N -1.99 6.69 0.43 2.29 0.15 -1.26 -4.90 113.70 115.11 1ssd s SER 34 Ca 0.24 2.40 0.17 0.00 0.70 0.00 0.00 55.95 59.47 1ssd s SER 34 Cb -0.12 -2.57 0.97 0.00 -1.71 0.00 0.00 66.02 62.58 1ssd s SER 34 CO 0.15 -0.79 1.92 0.00 1.20 0.00 0.00 173.24 175.72 1ssd h ALA 35 N 7.60 1.39 -0.62 5.45 0.00 -1.98 -2.61 119.26 128.48 1ssd h ALA 35 Ca -0.42 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 53.98 1ssd h ALA 35 Cb 1.20 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1ssd h ALA 35 CO 0.91 0.33 0.35 -0.40 0.00 0.00 0.00 179.25 180.44 1ssd n ASP 36 N -3.97 3.70 -4.11 0.00 5.68 -1.26 -4.82 116.55 111.78 1ssd n ASP 36 Ca -0.02 -3.01 -0.30 0.00 -0.50 0.00 0.00 54.79 50.96 1ssd n ASP 36 Cb 0.34 -0.71 -0.17 0.00 -1.14 0.00 0.00 41.12 39.44 1ssd n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ssd s THR 37 N -2.27 1.75 -0.39 2.12 2.01 -0.98 -3.64 115.64 114.24 1ssd s THR 37 Ca 0.39 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 1ssd s THR 37 Cb 0.32 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 71.28 1ssd s THR 37 CO 0.08 0.49 0.66 -0.70 -0.69 0.00 0.00 174.62 174.47 1ssd s GLU 38 N 0.91 3.56 -0.07 4.92 2.12 -0.29 -4.93 118.70 124.92 1ssd s GLU 38 Ca -0.07 -0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.19 1ssd s GLU 38 Cb -0.15 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1ssd s GLU 38 CO -0.02 -0.85 0.02 0.08 -0.54 0.00 0.00 175.26 173.96 1ssd s VAL 39 N 2.82 4.47 -0.06 3.70 1.01 -1.26 -1.22 120.40 129.86 1ssd s VAL 39 Ca 0.25 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1ssd s VAL 39 Cb -0.14 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1ssd s VAL 39 CO 0.17 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.27 1ssd s VAL 40 N -0.96 -0.02 -0.19 2.92 1.01 -0.93 -1.78 120.40 120.45 1ssd s VAL 40 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1ssd s VAL 40 Cb -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1ssd s VAL 40 CO 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 175.10 175.05 1ssd s GLY 42 N 1.22 1.54 0.18 0.00 0.00 0.15 -0.89 107.32 109.53 1ssd s GLY 42 Ca 0.02 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 43.16 1ssd s GLY 42 CO -0.06 1.84 0.42 0.00 0.00 0.00 0.00 173.10 175.30 1ssd s ALA 43 N 3.47 3.76 0.58 3.20 0.00 -0.78 -2.38 121.76 129.61 1ssd s ALA 43 Ca 0.23 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 1ssd s ALA 43 Cb -0.16 -2.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.75 1ssd s ALA 43 CO 0.15 0.54 0.79 -2.30 0.00 0.00 0.00 175.76 174.94 1ssd n PRO 44 N -0.26 0.75 -0.16 0.00 -0.02 -1.26 -4.01 135.00 130.04 1ssd n PRO 44 Ca -0.03 0.29 -0.05 0.00 -2.02 0.00 0.00 63.50 61.70 1ssd n PRO 44 Cb 0.53 -1.97 0.14 0.00 -0.02 0.00 0.00 33.50 32.17 1ssd n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ssd h SER 45 N 0.42 0.86 0.05 2.55 4.64 -1.95 -1.48 113.55 118.64 1ssd h SER 45 Ca -0.47 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1ssd h SER 45 Cb 1.38 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ssd h SER 45 CO 0.49 0.87 -0.01 -0.29 -0.87 0.00 0.00 176.83 177.02 1ssd h ILE 46 N 0.86 0.48 -0.27 0.95 2.10 -2.03 -2.74 117.51 116.86 1ssd h ILE 46 Ca 0.18 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 66.05 1ssd h ILE 46 Cb 0.38 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1ssd h ILE 46 CO 0.01 0.01 0.00 -1.22 -1.08 0.00 0.00 178.15 175.87 1ssd n TYR 47 N -3.74 0.51 -0.16 2.19 0.53 -0.59 -4.73 117.16 111.17 1ssd n TYR 47 Ca -0.03 -0.62 -0.08 0.00 -1.02 0.00 0.00 57.90 56.15 1ssd n TYR 47 Cb 0.10 -0.11 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 1ssd n TYR 47 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 1ssd h LEU 48 N 1.64 0.61 0.01 7.72 3.38 -1.14 -0.82 115.31 126.71 1ssd h LEU 48 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ssd h LEU 48 Cb 0.89 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ssd h LEU 48 CO 0.06 0.58 -0.01 -0.78 0.09 0.00 0.00 178.44 178.38 1ssd h ASP 49 N 0.60 -0.02 -0.48 -0.43 -0.00 -1.85 -1.38 116.42 112.86 1ssd h ASP 49 Ca 0.16 -0.11 0.06 0.00 -0.00 0.00 0.00 57.03 57.13 1ssd h ASP 49 Cb 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.42 1ssd h ASP 49 CO -0.02 0.10 0.19 0.15 -0.00 0.00 0.00 179.24 179.66 1ssd h PHE 50 N -0.13 0.33 -0.23 0.28 3.04 -1.87 -1.87 116.94 116.49 1ssd h PHE 50 Ca -0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1ssd h PHE 50 Cb 0.13 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1ssd h PHE 50 CO -0.04 0.13 0.07 0.00 -2.02 0.00 0.00 178.31 176.45 1ssd h ALA 51 N 1.30 0.30 -0.76 2.41 0.00 -1.00 -1.94 119.26 119.56 1ssd h ALA 51 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ssd h ALA 51 Cb 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ssd h ALA 51 CO -0.21 -0.08 0.45 -0.09 0.00 0.00 0.00 179.25 179.32 1ssd h ARG 52 N 0.20 1.04 -0.51 0.00 9.65 -1.07 -1.13 114.38 122.56 1ssd h ARG 52 Ca 0.07 -0.10 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 1ssd h ARG 52 Cb 0.23 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1ssd h ARG 52 CO -0.00 0.74 -0.15 1.96 2.80 0.00 0.00 179.97 185.31 1ssd h GLN 53 N 1.05 1.01 0.02 0.20 4.20 -1.04 -3.32 115.11 117.22 1ssd h GLN 53 Ca 0.27 -0.40 -0.27 0.00 0.06 0.00 0.00 58.65 58.31 1ssd h GLN 53 Cb -0.02 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1ssd h GLN 53 CO -0.05 1.08 -1.52 0.87 -0.67 0.00 0.00 178.83 178.55 1ssd h LYS 54 N 0.87 0.04 -6.80 1.46 1.79 -1.14 -3.46 116.57 109.32 1ssd h LYS 54 Ca 0.13 -0.06 -0.49 0.00 -2.18 0.00 0.00 60.65 58.04 1ssd h LYS 54 Cb 0.73 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1ssd h LYS 54 CO 0.06 0.72 0.41 -0.51 -1.08 0.00 0.00 179.45 179.05 1ssd s LEU 55 N -6.38 4.54 0.66 2.94 1.43 -0.45 -4.94 118.68 116.48 1ssd s LEU 55 Ca -0.04 2.10 -0.17 0.00 -1.03 0.00 0.00 54.13 54.98 1ssd s LEU 55 Cb 0.08 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1ssd s LEU 55 CO 0.82 -0.05 0.78 -0.67 0.23 0.00 0.00 176.35 177.46 1ssd n ASP 56 N 1.15 -0.12 0.20 2.29 2.03 -1.26 -4.90 116.55 115.94 1ssd n ASP 56 Ca -0.01 0.70 0.07 0.00 0.52 0.00 0.00 54.79 56.07 1ssd n ASP 56 Cb 0.46 -1.31 0.35 0.00 -0.72 0.00 0.00 41.12 39.91 1ssd n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssd h ALA 57 N 0.02 0.99 -0.40 -1.67 0.00 -1.94 -2.33 119.26 113.92 1ssd h ALA 57 Ca -0.47 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.25 1ssd h ALA 57 Cb 1.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1ssd h ALA 57 CO 0.47 0.42 0.41 0.87 0.00 0.00 0.00 179.25 181.42 1ssd h LYS 58 N 0.00 0.00 -5.21 0.00 1.57 -1.99 -3.41 116.57 107.52 1ssd h LYS 58 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1ssd h LYS 58 Cb 0.88 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.03 1ssd h LYS 58 CO 0.04 0.00 -0.55 0.42 -0.57 0.00 0.00 179.45 178.80 1ssd s ILE 59 N -4.66 4.96 0.55 1.86 1.01 -0.88 -4.72 121.20 119.32 1ssd s ILE 59 Ca -0.04 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 1ssd s ILE 59 Cb 0.16 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 1ssd s ILE 59 CO 0.57 0.42 0.89 -0.83 0.00 0.00 0.00 174.94 175.99 1ssd s GLY 60 N 0.61 1.57 -0.03 6.18 0.00 -0.74 -4.79 107.32 110.13 1ssd s GLY 60 Ca 0.05 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.42 1ssd s GLY 60 CO 0.01 -0.17 -0.17 0.14 0.00 0.00 0.00 173.10 172.91 1ssd s VAL 61 N -2.94 1.34 -0.01 1.40 1.01 -1.26 -1.14 120.40 118.80 1ssd s VAL 61 Ca 0.51 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1ssd s VAL 61 Cb -0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1ssd s VAL 61 CO 0.48 0.38 -0.21 0.00 0.00 0.00 0.00 175.10 175.75 1ssd s ALA 62 N -0.20 1.75 0.54 5.51 0.00 -0.07 -2.76 121.76 126.54 1ssd s ALA 62 Ca 0.02 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 1ssd s ALA 62 Cb -0.09 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1ssd s ALA 62 CO 0.00 0.43 1.03 0.00 0.00 0.00 0.00 175.76 177.22 1ssd s ALA 63 N -0.51 2.87 -1.62 0.00 0.00 -0.64 -1.87 121.76 119.99 1ssd s ALA 63 Ca 0.08 0.37 0.28 0.00 0.00 0.00 0.00 51.96 52.69 1ssd s ALA 63 Cb -0.08 -3.20 1.02 0.00 0.00 0.00 0.00 23.12 20.86 1ssd s ALA 63 CO -0.01 -0.51 1.73 1.04 0.00 0.00 0.00 175.76 178.02 1ssd n GLN 64 N -1.64 0.67 -3.62 0.00 6.02 -1.26 -0.58 117.38 116.97 1ssd n GLN 64 Ca 0.08 -0.30 -0.01 0.00 -0.01 0.00 0.00 57.00 56.77 1ssd n GLN 64 Cb 0.53 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.28 1ssd n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ssd s ASN 65 N -2.54 -0.01 0.25 1.08 2.47 -1.20 -4.60 114.94 110.39 1ssd s ASN 65 Ca 0.26 -0.00 -0.22 0.00 0.42 0.00 0.00 52.86 53.31 1ssd s ASN 65 Cb 0.20 0.02 0.03 0.00 -1.45 0.00 0.00 41.25 40.04 1ssd s ASN 65 CO 0.51 -0.03 0.76 0.00 -3.72 0.00 0.00 177.10 174.61 1ssd s TYR 67 N -3.79 1.66 -2.56 0.00 5.04 0.21 -4.97 117.35 112.94 1ssd s TYR 67 Ca 0.11 -0.50 0.23 0.00 -2.44 0.00 0.00 57.07 54.47 1ssd s TYR 67 Cb -0.05 -2.54 0.50 0.00 0.35 0.00 0.00 41.96 40.22 1ssd s TYR 67 CO 0.05 -1.29 1.43 0.36 -1.34 0.00 0.00 175.55 174.76 1ssd n LYS 68 N -2.43 2.22 -4.21 4.97 2.85 -1.26 -4.54 118.16 115.76 1ssd n LYS 68 Ca 0.14 -1.82 -0.12 0.00 -1.05 0.00 0.00 58.31 55.46 1ssd n LYS 68 Cb 0.61 -1.47 -0.10 0.00 -0.65 0.00 0.00 35.03 33.42 1ssd n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1ssd s VAL 69 N -1.73 0.51 0.14 0.58 -7.23 -1.26 -4.78 120.40 106.63 1ssd s VAL 69 Ca 0.35 -1.96 0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1ssd s VAL 69 Cb 0.21 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 1ssd s VAL 69 CO 0.30 -0.48 1.46 1.55 -0.31 0.00 0.00 175.10 177.63 1ssd h PRO 70 N 2.75 0.00 -3.03 4.82 0.14 -1.98 -3.43 132.00 131.27 1ssd h PRO 70 Ca -0.36 0.00 0.04 0.00 0.14 0.00 0.00 66.00 65.81 1ssd h PRO 70 Cb 1.20 0.00 -0.07 0.00 0.14 0.00 0.00 31.00 32.27 1ssd h PRO 70 CO 0.62 0.74 0.21 -1.59 0.14 0.00 0.00 178.00 178.11 1ssd s LYS 71 N -3.14 1.62 0.00 0.86 -2.85 -1.26 -4.71 119.74 110.26 1ssd s LYS 71 Ca 0.01 -0.84 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 1ssd s LYS 71 Cb 0.11 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.47 1ssd s LYS 71 CO 0.78 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.91 1ssd n GLY 72 N -0.43 0.70 3.41 0.59 0.00 -1.26 -5.00 105.19 103.20 1ssd n GLY 72 Ca -0.08 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 1ssd n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssd n ALA 73 N -1.07 3.23 -3.43 4.61 0.00 -1.26 -4.75 120.51 117.84 1ssd n ALA 73 Ca 0.00 -3.52 -0.27 0.00 0.00 0.00 0.00 53.44 49.65 1ssd n ALA 73 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 19.45 15.79 1ssd n ALA 73 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ssd s PHE 74 N 6.42 1.21 0.25 0.00 0.08 -1.26 -5.11 117.98 119.56 1ssd s PHE 74 Ca 0.58 -2.33 -0.31 0.00 0.12 0.00 0.00 56.93 54.99 1ssd s PHE 74 Cb 0.05 -1.03 -0.11 0.00 -0.57 0.00 0.00 43.02 41.35 1ssd s PHE 74 CO 0.08 -0.81 1.64 0.99 -0.10 0.00 0.00 175.22 177.02 1ssd s THR 75 N 0.06 2.10 0.00 0.64 2.01 -1.26 -2.28 115.64 116.91 1ssd s THR 75 Ca 0.31 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1ssd s THR 75 Cb 0.01 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ssd s THR 75 CO -0.18 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 1ssd n GLY 76 N 3.04 1.54 3.89 4.40 0.00 -1.26 -5.05 105.19 111.74 1ssd n GLY 76 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1ssd n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssd s GLU 77 N -0.41 3.19 0.14 1.61 0.41 -0.97 -5.12 118.70 117.55 1ssd s GLU 77 Ca 0.00 -0.78 0.09 0.00 -0.41 0.00 0.00 54.97 53.87 1ssd s GLU 77 Cb 0.00 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.52 1ssd s GLU 77 CO 0.00 0.47 -0.22 0.96 -0.49 0.00 0.00 175.26 175.98 1ssd s ILE 78 N -1.85 1.98 0.29 -1.63 -4.36 -1.26 -5.00 121.20 109.36 1ssd s ILE 78 Ca 0.33 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 59.05 1ssd s ILE 78 Cb -0.10 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 1ssd s ILE 78 CO 0.26 -0.08 0.14 -0.94 0.24 0.00 0.00 174.94 174.57 1ssd s SER 79 N -2.21 5.04 0.56 4.36 1.04 -1.26 -0.62 113.70 120.61 1ssd s SER 79 Ca 0.12 -0.50 0.26 0.00 0.48 0.00 0.00 55.95 56.31 1ssd s SER 79 Cb -0.09 -1.04 1.49 0.00 0.10 0.00 0.00 66.02 66.48 1ssd s SER 79 CO 0.06 -0.13 2.04 -0.65 0.98 0.00 0.00 173.24 175.54 1ssd h PRO 80 N 1.57 0.00 -0.25 4.02 0.11 -1.83 -2.15 132.00 133.47 1ssd h PRO 80 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1ssd h PRO 80 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ssd h PRO 80 CO 0.61 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.41 1ssd h ALA 81 N 1.74 1.56 0.13 -0.75 0.00 -1.91 -1.00 119.26 119.03 1ssd h ALA 81 Ca 0.16 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 1ssd h ALA 81 Cb 0.74 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ssd h ALA 81 CO -0.00 0.32 -1.24 0.52 0.00 0.00 0.00 179.25 178.85 1ssd h MET 82 N 0.36 0.39 -0.35 0.00 2.86 -1.71 -2.53 114.93 113.94 1ssd h MET 82 Ca 0.08 -0.60 -0.04 0.00 -2.06 0.00 0.00 59.70 57.08 1ssd h MET 82 Cb 0.22 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1ssd h MET 82 CO 0.00 1.27 0.06 0.82 1.06 0.00 0.00 176.91 180.12 1ssd h ILE 83 N 0.14 1.24 -0.70 -1.22 2.04 -1.23 -2.62 117.51 115.15 1ssd h ILE 83 Ca -0.16 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 1ssd h ILE 83 Cb 1.94 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 1ssd h ILE 83 CO 0.22 0.28 0.29 0.11 0.00 0.00 0.00 178.15 179.04 1ssd h LYS 84 N 0.42 1.03 -0.56 2.37 1.57 -1.28 -2.68 116.57 117.46 1ssd h LYS 84 Ca 0.11 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ssd h LYS 84 Cb 0.35 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1ssd h LYS 84 CO 0.01 0.84 0.37 0.22 -0.57 0.00 0.00 179.45 180.31 1ssd h ASP 85 N 1.02 0.55 -0.27 0.86 3.58 -1.09 -0.52 116.42 120.55 1ssd h ASP 85 Ca 0.24 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1ssd h ASP 85 Cb 0.18 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1ssd h ASP 85 CO -0.02 0.38 0.00 2.30 -2.88 0.00 0.00 179.24 179.01 1ssd n ILE 86 N -4.47 0.35 -0.33 2.25 -6.64 -1.06 -4.96 119.36 104.51 1ssd n ILE 86 Ca 0.07 -0.52 0.00 0.00 -1.77 0.00 0.00 62.75 60.53 1ssd n ILE 86 Cb 0.15 0.62 0.00 0.00 -1.44 0.00 0.00 39.64 38.97 1ssd n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1ssd n GLY 87 N 1.29 0.70 3.81 3.28 0.00 -0.20 -4.88 105.19 109.18 1ssd n GLY 87 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ssd n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssd s ALA 88 N -2.53 2.74 0.00 4.61 0.00 -1.03 -4.97 121.76 120.58 1ssd s ALA 88 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1ssd s ALA 88 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1ssd s ALA 88 CO 0.00 -0.94 0.45 0.00 0.00 0.00 0.00 175.76 175.27 1ssd n ALA 89 N -2.44 1.57 -2.39 0.00 0.00 -1.18 -4.15 120.51 111.93 1ssd n ALA 89 Ca 0.08 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1ssd n ALA 89 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1ssd n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ssd s TRP 90 N -0.17 0.89 -0.03 0.00 0.52 -1.11 -0.80 118.94 118.25 1ssd s TRP 90 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 56.10 55.33 1ssd s TRP 90 Cb 0.00 -0.51 0.01 0.00 -1.15 0.00 0.00 33.47 31.82 1ssd s TRP 90 CO 0.00 -0.10 0.07 0.54 0.02 0.00 0.00 176.95 177.48 1ssd s VAL 91 N -2.89 -0.00 -0.14 4.03 0.11 -0.72 -1.63 120.40 119.16 1ssd s VAL 91 Ca 0.06 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.93 1ssd s VAL 91 Cb 0.00 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 1ssd s VAL 91 CO -0.02 0.00 0.53 -0.63 -3.33 0.00 0.00 175.10 171.65 1ssd s ILE 92 N 0.08 5.14 0.03 7.04 1.01 0.25 -1.73 121.20 133.01 1ssd s ILE 92 Ca -0.00 1.03 0.04 0.00 0.00 0.00 0.00 60.65 61.72 1ssd s ILE 92 Cb -0.01 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1ssd s ILE 92 CO -0.00 0.26 -0.13 -0.76 0.00 0.00 0.00 174.94 174.31 1ssd s LEU 93 N 1.01 2.15 -0.84 2.97 1.43 -0.69 -3.26 118.68 121.45 1ssd s LEU 93 Ca 0.27 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1ssd s LEU 93 Cb -0.16 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1ssd s LEU 93 CO 0.11 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1ssd n GLY 94 N 2.04 0.97 3.57 -3.19 0.00 -1.26 -1.21 105.19 106.12 1ssd n GLY 94 Ca -0.18 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1ssd n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ssd n HIS 95 N -2.71 0.75 -0.33 1.61 -0.00 -1.26 -4.35 115.22 108.93 1ssd n HIS 95 Ca -0.08 0.56 0.19 0.00 0.46 0.00 0.00 57.72 58.85 1ssd n HIS 95 Cb 0.29 -2.16 0.40 0.00 -0.12 0.00 0.00 29.99 28.40 1ssd n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ssd h SER 96 N 1.27 0.49 -0.38 0.26 0.87 -1.94 -0.83 113.55 113.29 1ssd h SER 96 Ca -0.44 0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.16 1ssd h SER 96 Cb 1.35 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1ssd h SER 96 CO 0.55 -0.03 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.26 1ssd h GLU 97 N 0.41 0.88 -0.73 2.24 5.08 -1.98 -0.70 114.58 119.78 1ssd h GLU 97 Ca 0.66 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1ssd h GLU 97 Cb 1.36 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1ssd h GLU 97 CO -0.55 1.02 0.22 0.00 -1.00 0.00 0.00 179.01 178.69 1ssd h ARG 98 N 0.76 1.14 -0.09 2.33 2.47 -1.54 -1.73 114.38 117.72 1ssd h ARG 98 Ca 0.10 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.55 1ssd h ARG 98 Cb 0.78 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1ssd h ARG 98 CO 0.06 0.98 -0.01 0.00 0.56 0.00 0.00 179.97 181.57 1ssd h ARG 99 N 1.09 0.16 0.00 0.04 3.08 -0.90 -1.70 114.38 116.15 1ssd h ARG 99 Ca 0.23 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 59.99 1ssd h ARG 99 Cb 0.32 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1ssd h ARG 99 CO -0.01 0.44 -1.90 0.72 -1.07 0.00 0.00 179.97 178.15 1ssd n HIS 100 N -4.81 0.00 0.03 3.04 8.25 -0.30 -2.52 115.22 118.90 1ssd n HIS 100 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.21 1ssd n HIS 100 Cb 0.21 -0.64 -0.13 0.00 1.12 0.00 0.00 29.99 30.55 1ssd n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ssd h VAL 101 N 0.00 1.47 -0.02 1.59 2.07 -1.49 -3.39 116.25 116.48 1ssd h VAL 101 Ca -0.36 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1ssd h VAL 101 Cb 1.72 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 34.37 1ssd h VAL 101 CO -0.01 0.66 -0.18 0.49 0.02 0.00 0.00 177.57 178.55 1ssd n PHE 102 N -4.18 0.00 -0.79 1.57 3.72 -1.05 -5.00 117.46 111.73 1ssd n PHE 102 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1ssd n PHE 102 Cb 0.74 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 1ssd n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ssd n GLY 103 N 1.14 0.56 3.70 1.37 0.00 -0.70 -4.95 105.19 106.31 1ssd n GLY 103 Ca 0.09 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1ssd n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssd s GLU 104 N -0.83 4.29 0.72 1.61 2.02 -0.82 -4.98 118.70 120.72 1ssd s GLU 104 Ca 0.00 2.05 -0.07 0.00 0.02 0.00 0.00 54.97 56.97 1ssd s GLU 104 Cb 0.00 -3.42 0.07 0.00 0.10 0.00 0.00 34.13 30.88 1ssd s GLU 104 CO 0.00 -0.52 1.04 -1.54 0.02 0.00 0.00 175.26 174.26 1ssd s SER 105 N 1.57 4.71 0.32 -0.19 1.04 -1.26 -4.49 113.70 115.40 1ssd s SER 105 Ca 0.65 0.45 0.05 0.00 0.48 0.00 0.00 55.95 57.58 1ssd s SER 105 Cb -0.35 -1.06 0.54 0.00 0.10 0.00 0.00 66.02 65.25 1ssd s SER 105 CO 0.29 -1.68 1.79 0.44 0.98 0.00 0.00 173.24 175.07 1ssd h ASP 106 N -0.68 0.40 -0.28 7.02 3.32 -1.98 -2.13 116.42 122.10 1ssd h ASP 106 Ca -0.44 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.33 1ssd h ASP 106 Cb 1.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1ssd h ASP 106 CO 0.59 0.61 -0.43 -0.08 -1.72 0.00 0.00 179.24 178.22 1ssd h GLU 107 N 0.38 0.84 -0.47 3.56 4.81 -1.94 -1.26 114.58 120.49 1ssd h GLU 107 Ca 0.07 -0.46 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 1ssd h GLU 107 Cb 0.55 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1ssd h GLU 107 CO 0.04 1.09 -0.09 1.25 -0.73 0.00 0.00 179.01 180.57 1ssd h LEU 108 N 0.67 0.89 -0.88 1.64 5.85 -1.92 -1.79 115.31 119.78 1ssd h LEU 108 Ca 0.05 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1ssd h LEU 108 Cb 1.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1ssd h LEU 108 CO 0.10 1.03 0.05 0.40 -0.34 0.00 0.00 178.44 179.68 1ssd h ILE 109 N 0.74 1.25 -0.27 4.05 2.04 -1.32 -1.22 117.51 122.78 1ssd h ILE 109 Ca 0.12 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1ssd h ILE 109 Cb 0.63 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1ssd h ILE 109 CO 0.04 0.36 0.13 1.23 0.00 0.00 0.00 178.15 179.91 1ssd h GLY 110 N 0.99 0.41 1.20 5.37 0.00 -1.05 -1.24 103.07 108.75 1ssd h GLY 110 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1ssd h GLY 110 CO 0.01 0.19 0.42 1.46 0.00 0.00 0.00 176.54 178.63 1ssd h GLN 111 N 0.30 1.05 -0.68 4.80 4.20 -1.19 -2.28 115.11 121.33 1ssd h GLN 111 Ca 0.09 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1ssd h GLN 111 Cb 0.11 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1ssd h GLN 111 CO -0.01 0.77 0.23 0.87 -0.67 0.00 0.00 178.83 180.01 1ssd h LYS 112 N 1.06 1.03 -0.27 1.46 1.57 -0.91 -2.76 116.57 117.74 1ssd h LYS 112 Ca 0.27 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1ssd h LYS 112 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1ssd h LYS 112 CO -0.05 0.87 -0.06 0.28 -0.57 0.00 0.00 179.45 179.92 1ssd h VAL 113 N 0.99 1.28 -0.66 0.50 2.07 -0.70 -1.84 116.25 117.89 1ssd h VAL 113 Ca 0.22 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1ssd h VAL 113 Cb 0.26 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1ssd h VAL 113 CO -0.01 0.34 0.17 0.00 0.02 0.00 0.00 177.57 178.09 1ssd h ALA 114 N 0.78 1.05 -0.18 1.67 0.00 -1.36 -1.16 119.26 120.05 1ssd h ALA 114 Ca 0.07 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1ssd h ALA 114 Cb 0.54 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ssd h ALA 114 CO 0.03 0.63 -0.34 1.25 0.00 0.00 0.00 179.25 180.82 1ssd h HIS 115 N 0.99 0.69 -0.52 0.00 6.17 -1.40 -1.61 115.15 119.48 1ssd h HIS 115 Ca 0.21 -0.25 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1ssd h HIS 115 Cb 0.34 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.11 1ssd h HIS 115 CO 0.02 0.98 0.32 0.00 0.71 0.00 0.00 177.93 179.97 1ssd h ALA 116 N 0.59 0.66 -0.71 5.26 0.00 -1.18 -1.92 119.26 121.95 1ssd h ALA 116 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ssd h ALA 116 Cb 0.93 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1ssd h ALA 116 CO 0.08 0.13 0.24 -0.07 0.00 0.00 0.00 179.25 179.63 1ssd h LEU 117 N 0.69 0.99 -1.17 0.00 3.38 -1.18 -2.03 115.31 115.99 1ssd h LEU 117 Ca 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ssd h LEU 117 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1ssd h LEU 117 CO -0.04 0.91 0.23 0.00 0.09 0.00 0.00 178.44 179.63 1ssd h ALA 118 N 1.22 1.35 -0.00 1.53 0.00 -0.99 -2.39 119.26 119.99 1ssd h ALA 118 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ssd h ALA 118 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ssd h ALA 118 CO -0.01 0.49 -0.12 0.39 0.00 0.00 0.00 179.25 180.00 1ssd n GLU 119 N -4.34 0.77 -0.04 0.00 -0.58 -0.75 -4.92 120.64 110.78 1ssd n GLU 119 Ca 0.05 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 1ssd n GLU 119 Cb 0.16 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1ssd n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ssd n GLY 120 N 1.27 0.98 3.80 0.62 0.00 -0.90 -5.01 105.19 105.95 1ssd n GLY 120 Ca 0.15 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1ssd n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ssd s LEU 121 N 0.00 4.25 0.62 0.99 1.43 -0.80 -5.00 118.68 120.18 1ssd s LEU 121 Ca 0.00 1.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 1ssd s LEU 121 Cb 0.00 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 1ssd s LEU 121 CO 0.00 -0.10 1.05 -0.83 0.23 0.00 0.00 176.35 176.70 1ssd s GLY 122 N -1.77 1.95 -0.05 -3.19 0.00 0.02 -4.17 107.32 100.12 1ssd s GLY 122 Ca 0.51 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.50 1ssd s GLY 122 CO 0.21 0.57 -0.07 0.14 0.00 0.00 0.00 173.10 173.96 1ssd s VAL 123 N -2.68 0.69 -0.61 1.40 1.01 -0.35 -1.76 120.40 118.10 1ssd s VAL 123 Ca 0.61 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 1ssd s VAL 123 Cb -0.15 -0.68 0.16 0.00 0.00 0.00 0.00 36.38 35.71 1ssd s VAL 123 CO 0.43 0.25 0.52 -0.63 0.00 0.00 0.00 175.10 175.68 1ssd s ILE 124 N 0.79 4.86 -0.15 2.22 1.01 -0.71 -0.87 121.20 128.36 1ssd s ILE 124 Ca -0.12 -2.02 -0.26 0.00 0.00 0.00 0.00 60.65 58.25 1ssd s ILE 124 Cb -0.14 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1ssd s ILE 124 CO 0.01 -0.89 0.85 0.00 0.00 0.00 0.00 174.94 174.92 1ssd s ALA 125 N 0.95 3.48 -0.15 9.38 0.00 -0.40 -1.71 121.76 133.31 1ssd s ALA 125 Ca 0.09 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.08 1ssd s ALA 125 Cb -0.22 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1ssd s ALA 125 CO -0.02 -0.60 0.13 0.00 0.00 0.00 0.00 175.76 175.27 1ssd s ILE 127 N -0.51 0.97 0.00 0.00 -4.36 -0.59 -4.58 121.20 112.13 1ssd s ILE 127 Ca 0.12 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1ssd s ILE 127 Cb -0.12 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.22 1ssd s ILE 127 CO 0.02 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.26 1ssd n GLY 128 N 0.56 2.64 3.92 6.27 0.00 -1.26 -1.19 105.19 116.14 1ssd n GLY 128 Ca -0.16 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1ssd n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ssd s GLU 129 N -2.00 3.48 0.70 1.61 1.03 -1.26 -4.73 118.70 117.52 1ssd s GLU 129 Ca 0.00 -0.39 -0.11 0.00 0.03 0.00 0.00 54.97 54.51 1ssd s GLU 129 Cb 0.00 -2.98 0.02 0.00 -0.80 0.00 0.00 34.13 30.37 1ssd s GLU 129 CO 0.00 0.55 1.08 0.15 -1.33 0.00 0.00 175.26 175.71 1ssd s LYS 130 N -2.70 2.82 0.38 -4.83 1.02 -1.26 -1.57 119.74 113.59 1ssd s LYS 130 Ca 0.36 0.38 0.07 0.00 0.02 0.00 0.00 55.97 56.80 1ssd s LYS 130 Cb -0.12 -2.05 0.74 0.00 -0.52 0.00 0.00 37.83 35.88 1ssd s LYS 130 CO 0.27 -1.02 1.95 1.25 -0.92 0.00 0.00 175.35 176.88 1ssd h LEU 131 N -0.62 0.42 -1.07 3.17 5.85 -1.97 -1.77 115.31 119.32 1ssd h LEU 131 Ca -0.45 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.13 1ssd h LEU 131 Cb 1.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1ssd h LEU 131 CO 0.64 0.44 -0.21 -2.24 -0.34 0.00 0.00 178.44 176.72 1ssd h ASP 132 N 0.45 0.41 -0.21 1.25 2.03 -1.99 -2.13 116.42 116.23 1ssd h ASP 132 Ca 0.11 -0.12 -0.13 0.00 -0.73 0.00 0.00 57.03 56.15 1ssd h ASP 132 Cb 0.20 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1ssd h ASP 132 CO -0.00 0.63 -0.38 -0.33 -1.03 0.00 0.00 179.24 178.12 1ssd h GLU 133 N 0.37 0.63 -0.73 4.15 5.08 -1.75 -2.11 114.58 120.22 1ssd h GLU 133 Ca 0.06 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1ssd h GLU 133 Cb 0.58 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1ssd h GLU 133 CO 0.04 1.01 0.37 -0.09 -1.00 0.00 0.00 179.01 179.35 1ssd h ARG 134 N 0.32 1.03 0.00 2.33 2.43 -1.18 -2.20 114.38 117.11 1ssd h ARG 134 Ca 0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1ssd h ARG 134 Cb 0.98 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1ssd h ARG 134 CO 0.09 0.79 0.00 1.05 -1.51 0.00 0.00 179.97 180.39 1ssd h GLU 135 N 1.01 0.00 0.00 0.20 4.11 -1.40 -2.58 114.58 115.91 1ssd h GLU 135 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1ssd h GLU 135 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ssd h GLU 135 CO -0.04 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.04 1ssd n ALA 136 N -2.03 2.31 -0.54 1.06 0.00 -0.80 -4.93 120.51 115.59 1ssd n ALA 136 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ssd n ALA 136 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1ssd n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ssd n GLY 137 N 1.28 0.76 1.98 0.00 0.00 -0.97 -4.97 105.19 103.27 1ssd n GLY 137 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1ssd n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ssd n ILE 138 N -2.08 3.11 -0.24 -0.61 -5.35 -0.84 -4.65 119.36 108.70 1ssd n ILE 138 Ca 0.00 -2.53 0.01 0.00 -0.27 0.00 0.00 62.75 59.96 1ssd n ILE 138 Cb 0.00 -0.64 0.13 0.00 -1.74 0.00 0.00 39.64 37.39 1ssd n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ssd h THR 139 N 1.08 0.85 -0.05 7.28 2.02 -1.85 -2.51 112.91 119.72 1ssd h THR 139 Ca 0.51 -0.20 -0.24 0.00 0.77 0.00 0.00 66.41 67.26 1ssd h THR 139 Cb 2.00 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1ssd h THR 139 CO 1.03 0.11 -0.91 -0.33 0.37 0.00 0.00 175.52 175.78 1ssd h GLU 140 N 0.59 0.62 -0.52 6.66 3.07 -1.95 -2.19 114.58 120.86 1ssd h GLU 140 Ca 0.34 -0.61 0.05 0.00 -0.50 0.00 0.00 59.36 58.65 1ssd h GLU 140 Cb 0.36 0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 1ssd h GLU 140 CO -0.27 1.22 0.25 -0.22 -1.40 0.00 0.00 179.01 178.59 1ssd h LYS 141 N 0.38 0.47 -0.10 2.33 3.64 -1.85 -1.80 116.57 119.65 1ssd h LYS 141 Ca -0.09 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 1ssd h LYS 141 Cb 1.55 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1ssd h LYS 141 CO 0.17 0.31 -0.41 0.28 -2.27 0.00 0.00 179.45 177.54 1ssd h VAL 142 N 0.49 1.39 -0.03 2.00 2.07 -1.37 -2.04 116.25 118.75 1ssd h VAL 142 Ca 0.23 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.87 1ssd h VAL 142 Cb 0.16 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1ssd h VAL 142 CO -0.18 0.52 -0.56 -0.37 0.02 0.00 0.00 177.57 177.01 1ssd h VAL 143 N 0.01 1.39 -0.12 2.57 -1.51 -1.37 -1.93 116.25 115.29 1ssd h VAL 143 Ca -0.02 -1.90 -0.18 0.00 -1.23 0.00 0.00 66.70 63.37 1ssd h VAL 143 Cb 1.05 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 32.19 1ssd h VAL 143 CO 0.09 0.55 -0.66 -0.26 -1.23 0.00 0.00 177.57 176.06 1ssd h PHE 144 N 0.08 0.62 -0.38 5.19 0.05 -1.35 -0.16 116.94 120.98 1ssd h PHE 144 Ca -0.00 -0.25 -0.04 0.00 3.82 0.00 0.00 57.97 61.50 1ssd h PHE 144 Cb 1.01 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 38.84 1ssd h PHE 144 CO 0.01 0.99 0.10 1.49 -0.18 0.00 0.00 178.31 180.72 1ssd h GLU 145 N 0.34 0.61 -0.31 1.51 4.81 -1.16 0.14 114.58 120.53 1ssd h GLU 145 Ca -0.02 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1ssd h GLU 145 Cb 1.22 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1ssd h GLU 145 CO 0.12 0.64 -0.29 1.96 -0.73 0.00 0.00 179.01 180.70 1ssd h GLN 146 N 0.47 0.63 -0.11 1.92 4.20 -1.31 -2.70 115.11 118.22 1ssd h GLN 146 Ca 0.12 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 1ssd h GLN 146 Cb 0.30 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1ssd h GLN 146 CO 0.00 0.85 -0.52 1.15 -0.67 0.00 0.00 178.83 179.64 1ssd h THR 147 N 0.54 1.35 -0.25 -0.54 2.02 -0.74 -3.07 112.91 112.23 1ssd h THR 147 Ca 0.07 -1.79 -0.15 0.00 0.77 0.00 0.00 66.41 65.31 1ssd h THR 147 Cb 0.77 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1ssd h THR 147 CO 0.06 0.54 -0.46 0.50 0.37 0.00 0.00 175.52 176.53 1ssd h LYS 148 N 0.23 0.65 0.00 6.66 3.64 -0.81 -0.11 116.57 126.83 1ssd h LYS 148 Ca 0.01 -0.36 -0.05 0.00 -1.27 0.00 0.00 60.65 58.97 1ssd h LYS 148 Cb 1.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1ssd h LYS 148 CO 0.08 0.97 -0.25 0.00 -2.27 0.00 0.00 179.45 177.99 1ssd h ALA 149 N 0.97 1.53 0.00 5.00 0.00 -1.46 -1.52 119.26 123.79 1ssd h ALA 149 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ssd h ALA 149 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ssd h ALA 149 CO 0.09 0.31 -0.00 0.82 0.00 0.00 0.00 179.25 180.48 1ssd h ILE 150 N 0.00 1.65 -0.06 0.00 2.04 -1.38 -3.36 117.51 116.40 1ssd h ILE 150 Ca -0.00 -2.05 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 1ssd h ILE 150 Cb 0.46 3.02 -0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1ssd h ILE 150 CO 0.03 0.52 -0.03 0.00 0.00 0.00 0.00 178.15 178.68 1ssd h ALA 151 N 0.06 1.85 0.00 1.87 0.00 -0.89 -1.42 119.26 120.73 1ssd h ALA 151 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ssd h ALA 151 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ssd h ALA 151 CO 0.00 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.12 1ssd n ASP 152 N -4.45 0.69 -0.14 0.00 8.00 -0.58 -2.53 116.55 117.52 1ssd n ASP 152 Ca -0.02 0.69 0.01 0.00 0.71 0.00 0.00 54.79 56.18 1ssd n ASP 152 Cb 0.14 -0.83 0.03 0.00 -0.02 0.00 0.00 41.12 40.45 1ssd n ASP 152 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ssd n ASN 153 N -2.28 2.11 -4.56 -2.24 3.02 -0.57 -4.97 115.26 105.77 1ssd n ASN 153 Ca 0.02 -1.90 -0.39 0.00 -0.03 0.00 0.00 54.58 52.27 1ssd n ASN 153 Cb 0.21 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 1ssd n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ssd s VAL 154 N -0.92 5.27 -0.03 2.41 1.01 -1.01 -3.97 120.40 123.17 1ssd s VAL 154 Ca 0.05 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1ssd s VAL 154 Cb 0.03 -3.66 -0.32 0.00 0.00 0.00 0.00 36.38 32.43 1ssd s VAL 154 CO 0.04 0.09 0.77 0.11 0.00 0.00 0.00 175.10 176.10 1ssd h LYS 155 N 8.42 0.43 -3.65 2.72 1.79 -1.93 -3.46 116.57 120.89 1ssd h LYS 155 Ca -0.33 -0.74 -0.52 0.00 -2.18 0.00 0.00 60.65 56.88 1ssd h LYS 155 Cb 1.17 0.28 -0.40 0.00 -1.58 0.00 0.00 32.23 31.70 1ssd h LYS 155 CO 0.61 1.35 -0.77 0.34 -1.08 0.00 0.00 179.45 179.91 1ssd s ASP 156 N -7.37 2.94 0.00 0.86 3.68 -1.26 -5.02 116.67 110.50 1ssd s ASP 156 Ca -0.14 -0.82 0.29 0.00 2.13 0.00 0.00 52.55 54.01 1ssd s ASP 156 Cb 0.05 -0.65 1.22 0.00 -1.45 0.00 0.00 42.92 42.09 1ssd s ASP 156 CO 0.88 -0.29 1.91 0.79 0.13 0.00 0.00 175.17 178.59 1ssd n TRP 157 N 5.01 0.00 0.27 -5.34 7.02 -1.26 -3.77 117.44 119.36 1ssd n TRP 157 Ca -0.09 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.48 1ssd n TRP 157 Cb 0.47 -0.48 0.70 0.00 -2.42 0.00 0.00 31.31 29.58 1ssd n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1ssd h SER 158 N 0.00 0.00 -0.49 -0.99 4.64 -1.98 -2.57 113.55 112.17 1ssd h SER 158 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ssd h SER 158 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1ssd h SER 158 CO 0.00 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1ssd n LYS 159 N -4.30 4.34 -5.13 4.77 4.76 -1.25 -4.95 118.16 116.40 1ssd n LYS 159 Ca -0.03 -3.08 -0.29 0.00 -2.87 0.00 0.00 58.31 52.04 1ssd n LYS 159 Cb 0.11 -2.15 -0.16 0.00 -1.84 0.00 0.00 35.03 31.00 1ssd n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ssd s VAL 160 N -2.77 1.82 -0.09 -0.18 1.01 -0.97 -1.21 120.40 118.01 1ssd s VAL 160 Ca 0.51 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1ssd s VAL 160 Cb 0.40 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1ssd s VAL 160 CO 0.14 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.96 1ssd s VAL 161 N -0.34 1.09 -0.10 2.92 1.01 -0.05 -4.45 120.40 120.49 1ssd s VAL 161 Ca 0.03 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1ssd s VAL 161 Cb -0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1ssd s VAL 161 CO 0.01 0.36 0.68 -0.76 0.00 0.00 0.00 175.10 175.39 1ssd s LEU 162 N 1.19 4.28 -0.29 3.92 1.43 -0.60 -1.27 118.68 127.35 1ssd s LEU 162 Ca -0.04 1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1ssd s LEU 162 Cb -0.14 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 43.08 1ssd s LEU 162 CO -0.03 -0.15 0.01 0.00 0.23 0.00 0.00 176.35 176.42 1ssd s ALA 163 N 1.03 2.86 -0.26 4.21 0.00 0.06 -0.42 121.76 129.24 1ssd s ALA 163 Ca 0.35 -1.60 -0.22 0.00 0.00 0.00 0.00 51.96 50.49 1ssd s ALA 163 Cb -0.17 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 1ssd s ALA 163 CO 0.16 -1.06 0.71 -0.47 0.00 0.00 0.00 175.76 175.09 1ssd s TYR 164 N 1.35 3.28 -0.19 0.00 5.04 -0.29 -1.54 117.35 125.00 1ssd s TYR 164 Ca -0.01 0.92 -0.01 0.00 -2.44 0.00 0.00 57.07 55.53 1ssd s TYR 164 Cb -0.18 -2.95 0.05 0.00 0.35 0.00 0.00 41.96 39.23 1ssd s TYR 164 CO -0.01 -0.38 -0.04 -1.21 -1.34 0.00 0.00 175.55 172.58 1ssd s GLU 165 N 2.66 1.33 -0.13 4.97 2.02 -0.33 -1.42 118.70 127.80 1ssd s GLU 165 Ca 0.30 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.35 1ssd s GLU 165 Cb -0.15 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 1ssd s GLU 165 CO 0.08 -0.52 1.51 -1.25 0.02 0.00 0.00 175.26 175.10 1ssd s PRO 166 N 1.60 4.12 0.35 0.39 0.05 -1.26 -4.08 135.00 136.18 1ssd s PRO 166 Ca -0.02 1.90 0.08 0.00 0.05 0.00 0.00 61.00 63.02 1ssd s PRO 166 Cb -0.17 -3.92 0.80 0.00 0.05 0.00 0.00 34.50 31.26 1ssd s PRO 166 CO -0.07 -0.89 1.85 0.28 0.05 0.00 0.00 177.00 178.22 1ssd h VAL 167 N 5.66 0.82 0.00 -0.36 2.07 -1.58 0.15 116.25 123.00 1ssd h VAL 167 Ca -0.34 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1ssd h VAL 167 Cb 1.15 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ssd h VAL 167 CO 0.97 0.13 0.00 -2.67 0.02 0.00 0.00 177.57 176.02 1ssd n TRP 168 N -4.59 0.00 0.10 1.57 4.27 -1.26 -2.38 117.44 115.16 1ssd n TRP 168 Ca 0.18 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.91 1ssd n TRP 168 Cb 0.49 -0.30 -0.09 0.00 -1.36 0.00 0.00 31.31 30.05 1ssd n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ssd n ALA 169 N -1.30 2.79 -2.33 -1.67 0.00 0.53 -4.63 120.51 113.90 1ssd n ALA 169 Ca 0.06 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 1ssd n ALA 169 Cb 0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1ssd n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ssd s ILE 170 N -3.42 3.95 -1.25 0.00 1.01 -1.00 -3.04 121.20 117.44 1ssd s ILE 170 Ca -0.04 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1ssd s ILE 170 Cb 0.12 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1ssd s ILE 170 CO 0.85 -0.56 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1ssd n GLY 171 N 4.73 0.78 0.53 6.18 0.00 -1.26 -4.87 105.19 111.28 1ssd n GLY 171 Ca 0.16 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1ssd n GLY 171 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ssd n THR 172 N -3.16 0.00 -1.70 2.61 -1.04 -1.25 -4.96 114.28 104.78 1ssd n THR 172 Ca -0.14 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.05 61.29 1ssd n THR 172 Cb 0.49 1.28 -0.05 0.00 -1.82 0.00 0.00 70.33 70.23 1ssd n THR 172 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssd n GLY 173 N 1.01 1.01 2.72 3.41 0.00 -1.26 -4.98 105.19 107.09 1ssd n GLY 173 Ca 0.08 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1ssd n GLY 173 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ssd s TYR 174 N -2.63 0.77 0.24 1.61 5.04 -1.26 -5.08 117.35 116.04 1ssd s TYR 174 Ca 0.00 -0.56 0.07 0.00 -2.44 0.00 0.00 57.07 54.14 1ssd s TYR 174 Cb 0.00 -0.90 -0.04 0.00 0.35 0.00 0.00 41.96 41.37 1ssd s TYR 174 CO 0.00 -0.51 0.17 -1.54 -1.34 0.00 0.00 175.55 172.33 1ssd s SER 175 N 1.94 5.43 0.57 4.32 1.04 -1.26 -4.40 113.70 121.33 1ssd s SER 175 Ca 0.01 -0.27 -0.20 0.00 0.48 0.00 0.00 55.95 55.97 1ssd s SER 175 Cb -0.15 -1.35 -0.05 0.00 0.10 0.00 0.00 66.02 64.56 1ssd s SER 175 CO -0.07 -0.02 1.20 0.18 0.98 0.00 0.00 173.24 175.50 1ssd n LEU 176 N -1.02 4.77 -4.73 2.42 4.77 -1.26 -5.01 117.00 116.94 1ssd n LEU 176 Ca -0.08 0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 56.48 1ssd n LEU 176 Cb 0.57 -1.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.27 1ssd n LEU 176 CO 0.43 -1.12 0.74 0.42 -1.33 0.00 0.00 177.39 176.53 1ssd s THR 177 N -1.37 2.59 0.33 -5.08 -4.23 -1.26 -4.81 115.64 101.82 1ssd s THR 177 Ca 0.74 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 61.59 1ssd s THR 177 Cb -0.43 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.09 1ssd s THR 177 CO 0.48 -0.20 1.79 -0.65 -0.54 0.00 0.00 174.62 175.49 1ssd h PRO 178 N -0.79 0.63 -0.53 3.99 0.11 -1.95 -1.58 132.00 131.89 1ssd h PRO 178 Ca -0.46 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1ssd h PRO 178 Cb 1.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ssd h PRO 178 CO 0.49 0.42 -0.03 1.96 -0.21 0.00 0.00 178.00 180.63 1ssd h GLN 179 N 0.65 0.96 -0.39 1.05 7.50 -1.97 -0.90 115.11 122.01 1ssd h GLN 179 Ca 0.57 -0.32 -0.13 0.00 0.50 0.00 0.00 58.65 59.27 1ssd h GLN 179 Cb 1.04 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.48 1ssd h GLN 179 CO -0.34 0.99 -0.28 1.96 -1.50 0.00 0.00 178.83 179.65 1ssd h GLN 180 N 0.83 0.83 -0.18 1.46 4.20 -1.73 -1.74 115.11 118.79 1ssd h GLN 180 Ca 0.15 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 1ssd h GLN 180 Cb 0.57 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ssd h GLN 180 CO 0.03 1.01 -0.10 0.00 -0.67 0.00 0.00 178.83 179.10 1ssd h ALA 181 N 0.97 0.25 -0.94 3.87 0.00 -1.24 -2.93 119.26 119.24 1ssd h ALA 181 Ca 0.08 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1ssd h ALA 181 Cb 0.83 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1ssd h ALA 181 CO 0.07 0.08 0.57 0.37 0.00 0.00 0.00 179.25 180.35 1ssd h GLN 182 N 0.05 0.89 -0.83 0.00 5.75 -1.14 -2.52 115.11 117.32 1ssd h GLN 182 Ca 0.04 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1ssd h GLN 182 Cb 0.59 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 1ssd h GLN 182 CO 0.03 0.59 0.53 1.49 -2.65 0.00 0.00 178.83 178.82 1ssd h GLU 183 N 0.92 1.10 -0.05 1.69 4.81 -1.13 -0.81 114.58 121.11 1ssd h GLU 183 Ca 0.46 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.44 1ssd h GLU 183 Cb 0.45 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1ssd h GLU 183 CO -0.26 0.74 -0.66 0.28 -0.73 0.00 0.00 179.01 178.38 1ssd h VAL 184 N 1.13 1.36 -0.37 0.32 2.07 -1.37 -2.78 116.25 116.61 1ssd h VAL 184 Ca 0.30 -2.01 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 1ssd h VAL 184 Cb -0.10 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1ssd h VAL 184 CO -0.06 0.60 -0.05 0.45 0.02 0.00 0.00 177.57 178.53 1ssd h HIS 185 N 0.13 0.64 -0.43 1.57 3.86 -1.29 -0.02 115.15 119.59 1ssd h HIS 185 Ca -0.07 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1ssd h HIS 185 Cb 1.33 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 1ssd h HIS 185 CO 0.12 0.64 0.25 1.49 0.86 0.00 0.00 177.93 181.29 1ssd h GLU 186 N 0.56 0.60 -0.75 2.45 4.81 -1.20 -0.21 114.58 120.83 1ssd h GLU 186 Ca 0.11 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1ssd h GLU 186 Cb 0.43 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1ssd h GLU 186 CO 0.02 0.47 0.27 0.87 -0.73 0.00 0.00 179.01 179.91 1ssd h LYS 187 N 0.57 1.14 -0.12 1.92 1.57 -1.13 -1.29 116.57 119.24 1ssd h LYS 187 Ca 0.15 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1ssd h LYS 187 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1ssd h LYS 187 CO -0.03 0.95 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.43 1ssd h LEU 188 N 1.11 0.47 -1.17 2.94 3.38 -0.77 0.25 115.31 121.52 1ssd h LEU 188 Ca 0.25 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1ssd h LEU 188 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ssd h LEU 188 CO -0.01 0.97 -0.19 -0.09 0.09 0.00 0.00 178.44 179.20 1ssd h ARG 189 N -0.01 0.34 -0.53 1.13 2.43 -1.03 -1.36 114.38 115.36 1ssd h ARG 189 Ca -0.00 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1ssd h ARG 189 Cb 0.91 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1ssd h ARG 189 CO 0.07 0.53 0.10 0.78 -1.51 0.00 0.00 179.97 179.93 1ssd h GLY 190 N 0.93 0.94 0.94 2.80 0.00 -1.04 -1.93 103.07 105.71 1ssd h GLY 190 Ca 0.06 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.78 1ssd h GLY 190 CO 0.03 0.57 0.14 -0.25 0.00 0.00 0.00 176.54 177.03 1ssd h TRP 191 N 0.76 0.25 -0.79 5.60 7.01 -0.39 -2.53 115.95 125.86 1ssd h TRP 191 Ca 0.16 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1ssd h TRP 191 Cb 0.39 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.33 1ssd h TRP 191 CO 0.03 0.15 0.51 -0.07 -2.79 0.00 0.00 178.44 176.27 1ssd h LEU 192 N 0.28 0.92 -0.87 0.65 3.38 -1.17 -1.64 115.31 116.86 1ssd h LEU 192 Ca 0.09 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1ssd h LEU 192 Cb -0.00 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.43 1ssd h LEU 192 CO -0.05 0.68 0.49 0.50 0.09 0.00 0.00 178.44 180.15 1ssd h LYS 193 N 1.08 0.72 0.00 1.13 3.64 -0.92 -2.23 116.57 120.00 1ssd h LYS 193 Ca 0.29 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1ssd h LYS 193 Cb -0.10 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1ssd h LYS 193 CO -0.06 0.48 -1.96 -1.13 -2.27 0.00 0.00 179.45 174.51 1ssd n SER 194 N -4.78 0.07 -0.28 4.20 3.41 -0.95 -3.95 113.62 111.34 1ssd n SER 194 Ca 0.16 0.03 0.06 0.00 -0.26 0.00 0.00 58.87 58.86 1ssd n SER 194 Cb 0.37 1.79 -0.00 0.00 -0.26 0.00 0.00 64.21 66.11 1ssd n SER 194 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ssd n HIS 195 N -2.34 0.00 0.00 7.33 8.25 -0.66 -4.89 115.22 122.91 1ssd n HIS 195 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1ssd n HIS 195 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 1ssd n HIS 195 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ssd n VAL 196 N -0.22 0.00 -3.68 1.59 0.31 -0.86 -5.05 118.33 110.41 1ssd n VAL 196 Ca 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.32 1ssd n VAL 196 Cb 0.27 -0.12 -0.02 0.00 -0.91 0.00 0.00 33.84 33.06 1ssd n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ssd s SER 197 N 1.00 -0.26 0.05 4.52 1.04 -1.06 -5.03 113.70 113.96 1ssd s SER 197 Ca 0.00 -0.30 -0.19 0.00 0.48 0.00 0.00 55.95 55.95 1ssd s SER 197 Cb 0.00 0.50 -0.13 0.00 0.10 0.00 0.00 66.02 66.49 1ssd s SER 197 CO 0.00 -0.89 1.35 -0.78 0.98 0.00 0.00 173.24 173.89 1ssd h ASP 198 N 2.00 0.51 -0.94 7.02 1.82 -1.84 -3.05 116.42 121.94 1ssd h ASP 198 Ca -0.24 -0.50 0.02 0.00 -0.39 0.00 0.00 57.03 55.92 1ssd h ASP 198 Cb 1.24 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.06 1ssd h ASP 198 CO 0.27 0.91 0.61 0.00 -1.61 0.00 0.00 179.24 179.43 1ssd h ALA 199 N 0.61 1.21 -0.06 -0.78 0.00 -1.96 -2.55 119.26 115.73 1ssd h ALA 199 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ssd h ALA 199 Cb 0.79 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ssd h ALA 199 CO 0.05 0.53 -0.00 0.28 0.00 0.00 0.00 179.25 180.12 1ssd h VAL 200 N 1.23 1.25 -0.83 0.00 2.07 -1.93 -2.04 116.25 116.00 1ssd h VAL 200 Ca 0.36 -0.78 0.16 0.00 0.82 0.00 0.00 66.70 67.25 1ssd h VAL 200 Cb -0.08 1.66 -0.10 0.00 -1.52 0.00 0.00 31.29 31.25 1ssd h VAL 200 CO -0.10 0.22 0.40 0.00 0.02 0.00 0.00 177.57 178.11 1ssd h ALA 201 N 0.72 1.25 0.00 1.67 0.00 -1.38 -0.59 119.26 120.92 1ssd h ALA 201 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ssd h ALA 201 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ssd h ALA 201 CO 0.00 -0.16 -0.47 1.96 0.00 0.00 0.00 179.25 180.59 1ssd h GLN 202 N 0.54 0.00 0.00 0.00 4.20 -1.34 -3.31 115.11 115.20 1ssd h GLN 202 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1ssd h GLN 202 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1ssd h GLN 202 CO -0.40 0.00 -1.75 -1.13 -0.67 0.00 0.00 178.83 174.89 1ssd n SER 203 N -2.60 0.60 -4.69 1.46 3.41 -0.78 -4.71 113.62 106.32 1ssd n SER 203 Ca 0.03 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.08 1ssd n SER 203 Cb 0.50 1.76 -0.03 0.00 -0.26 0.00 0.00 64.21 66.19 1ssd n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ssd s THR 204 N -3.27 4.77 0.06 6.66 2.01 -0.26 -4.87 115.64 120.73 1ssd s THR 204 Ca -0.05 2.03 -0.31 0.00 0.31 0.00 0.00 61.69 63.68 1ssd s THR 204 Cb 0.13 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 1ssd s THR 204 CO 0.80 0.01 1.20 -0.13 -0.69 0.00 0.00 174.62 175.82 1ssd s ARG 205 N 1.98 4.43 -0.29 4.92 3.00 -1.26 -4.97 118.95 126.76 1ssd s ARG 205 Ca 0.49 1.77 0.03 0.00 0.00 0.00 0.00 55.73 58.01 1ssd s ARG 205 Cb -0.19 -3.36 0.07 0.00 0.00 0.00 0.00 34.95 31.48 1ssd s ARG 205 CO 0.18 -0.27 -0.05 0.42 0.00 0.00 0.00 175.30 175.58 1ssd s ILE 206 N 1.12 2.28 0.12 1.52 1.01 -1.26 -1.55 121.20 124.44 1ssd s ILE 206 Ca 0.59 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1ssd s ILE 206 Cb -0.29 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1ssd s ILE 206 CO 0.29 -0.20 0.28 0.27 0.00 0.00 0.00 174.94 175.58 1ssd s ILE 207 N 1.06 5.32 -0.16 2.92 -4.36 0.44 -2.05 121.20 124.36 1ssd s ILE 207 Ca -0.03 -0.45 -0.09 0.00 -0.26 0.00 0.00 60.65 59.82 1ssd s ILE 207 Cb -0.20 -3.68 -0.05 0.00 1.25 0.00 0.00 42.46 39.78 1ssd s ILE 207 CO -0.06 0.00 0.16 -0.47 0.24 0.00 0.00 174.94 174.81 1ssd s TYR 208 N -1.66 3.49 0.07 1.37 6.14 -0.41 -1.14 117.35 125.21 1ssd s TYR 208 Ca 0.36 0.45 0.06 0.00 0.64 0.00 0.00 57.07 58.58 1ssd s TYR 208 Cb -0.12 -2.11 -0.03 0.00 0.42 0.00 0.00 41.96 40.13 1ssd s TYR 208 CO 0.28 0.45 -0.17 0.20 0.64 0.00 0.00 175.55 176.95 1ssd s GLY 209 N -0.15 1.01 0.00 8.97 0.00 -0.51 -1.35 107.32 115.29 1ssd s GLY 209 Ca 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1ssd s GLY 209 CO 0.01 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1ssd n GLY 210 N 1.42 2.07 3.41 0.20 0.00 -1.26 -4.14 105.19 106.88 1ssd n GLY 210 Ca -0.19 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1ssd n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ssd n SER 211 N 0.00 -5.62 -4.67 1.61 7.64 -1.17 -4.53 113.62 106.88 1ssd n SER 211 Ca 0.00 -0.50 -0.42 0.00 1.01 0.00 0.00 58.87 58.95 1ssd n SER 211 Cb 0.00 -4.68 -0.03 0.00 -1.01 0.00 0.00 64.21 58.49 1ssd n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ssd s VAL 212 N -3.30 4.79 0.31 0.44 1.01 -1.26 -4.60 120.40 117.79 1ssd s VAL 212 Ca 0.48 1.88 0.01 0.00 0.00 0.00 0.00 61.98 64.36 1ssd s VAL 212 Cb -0.21 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1ssd s VAL 212 CO 0.67 -0.04 0.05 0.35 0.00 0.00 0.00 175.10 176.14 1ssd n THR 213 N 4.82 0.00 0.18 3.92 -2.24 -1.26 -4.61 114.28 115.09 1ssd n THR 213 Ca 0.08 -1.61 0.03 0.00 -2.27 0.00 0.00 64.05 60.28 1ssd n THR 213 Cb 0.48 0.46 0.31 0.00 -2.10 0.00 0.00 70.33 69.48 1ssd n THR 213 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ssd h GLY 214 N 0.97 0.00 2.00 3.38 0.00 -1.96 -2.93 103.07 104.53 1ssd h GLY 214 Ca -0.25 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1ssd h GLY 214 CO 0.40 0.00 -0.58 -1.33 0.00 0.00 0.00 176.54 175.03 1ssd h GLY 215 N 1.75 0.00 -0.19 4.60 0.00 -1.98 -3.35 103.07 103.89 1ssd h GLY 215 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ssd h GLY 215 CO 0.06 0.00 -0.16 1.16 0.00 0.00 0.00 176.54 177.60 1ssd n ASN 216 N -3.67 0.75 0.04 0.19 6.94 -1.23 -4.76 115.26 113.52 1ssd n ASN 216 Ca -0.01 -0.87 -0.06 0.00 -0.02 0.00 0.00 54.58 53.62 1ssd n ASN 216 Cb 0.62 0.61 0.13 0.00 -2.36 0.00 0.00 39.78 38.78 1ssd n ASN 216 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ssd h LYS 218 N 0.33 0.30 -0.45 0.00 1.57 -1.82 -1.31 116.57 115.19 1ssd h LYS 218 Ca 0.02 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1ssd h LYS 218 Cb 0.96 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1ssd h LYS 218 CO 0.08 0.20 -0.21 0.93 -0.57 0.00 0.00 179.45 179.88 1ssd h GLU 219 N 0.31 0.92 -0.48 3.15 5.08 -1.90 -3.01 114.58 118.65 1ssd h GLU 219 Ca 0.12 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1ssd h GLU 219 Cb 0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ssd h GLU 219 CO -0.07 1.03 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.88 1ssd h LEU 220 N 0.79 0.84 -0.88 1.33 3.38 -1.36 -3.23 115.31 116.20 1ssd h LEU 220 Ca 0.11 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1ssd h LEU 220 Cb 0.76 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ssd h LEU 220 CO 0.06 0.96 -0.31 0.00 0.09 0.00 0.00 178.44 179.24 1ssd h ALA 221 N 0.91 0.96 -0.16 1.53 0.00 -1.21 -2.80 119.26 118.49 1ssd h ALA 221 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ssd h ALA 221 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ssd h ALA 221 CO 0.03 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.54 1ssd n SER 222 N -3.41 1.19 -4.85 0.00 3.41 -1.14 -4.82 113.62 104.00 1ssd n SER 222 Ca 0.00 -2.05 -0.33 0.00 -0.26 0.00 0.00 58.87 56.24 1ssd n SER 222 Cb 0.50 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 1ssd n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ssd s GLN 223 N -1.68 3.99 0.48 4.33 -1.52 -1.06 -5.00 119.66 119.21 1ssd s GLN 223 Ca 0.12 0.64 0.25 0.00 -1.95 0.00 0.00 55.36 54.42 1ssd s GLN 223 Cb 0.07 -2.48 1.19 0.00 -0.22 0.00 0.00 33.01 31.57 1ssd s GLN 223 CO 0.07 0.19 1.95 1.25 -0.25 0.00 0.00 175.29 178.50 1ssd h HIS 224 N 2.35 0.00 0.00 0.91 -0.00 -1.90 -3.11 115.15 113.40 1ssd h HIS 224 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1ssd h HIS 224 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 1ssd h HIS 224 CO 0.62 0.18 0.00 -0.25 -0.00 0.00 0.00 177.93 178.48 1ssd n ASP 225 N -3.54 1.77 -4.54 3.26 9.92 -1.26 -4.91 116.55 117.25 1ssd n ASP 225 Ca -0.01 -1.83 -0.42 0.00 -0.53 0.00 0.00 54.79 51.99 1ssd n ASP 225 Cb 0.33 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.74 1ssd n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ssd s VAL 226 N -0.83 4.87 -1.20 2.53 1.01 -1.18 -4.67 120.40 120.93 1ssd s VAL 226 Ca 0.00 0.31 0.18 0.00 0.00 0.00 0.00 61.98 62.47 1ssd s VAL 226 Cb 0.00 -4.14 0.66 0.00 0.00 0.00 0.00 36.38 32.90 1ssd s VAL 226 CO 0.00 -0.46 1.57 0.47 0.00 0.00 0.00 175.10 176.68 1ssd n ASP 227 N 6.13 4.39 0.00 3.32 10.43 -0.87 -4.73 116.55 135.22 1ssd n ASP 227 Ca -0.02 -2.36 0.00 0.00 2.57 0.00 0.00 54.79 54.99 1ssd n ASP 227 Cb 0.48 -0.53 0.00 0.00 1.84 0.00 0.00 41.12 42.92 1ssd n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ssd n GLY 228 N 1.06 0.98 3.01 0.44 0.00 -1.26 -1.40 105.19 108.03 1ssd n GLY 228 Ca 0.24 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 1ssd n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ssd s PHE 229 N -2.72 0.33 -0.32 1.61 0.08 -0.37 -1.28 117.98 115.32 1ssd s PHE 229 Ca 0.00 -0.68 -0.05 0.00 0.12 0.00 0.00 56.93 56.31 1ssd s PHE 229 Cb 0.00 -0.25 0.04 0.00 -0.57 0.00 0.00 43.02 42.24 1ssd s PHE 229 CO 0.00 -0.25 0.07 -1.17 -0.10 0.00 0.00 175.22 173.77 1ssd s LEU 230 N -1.88 4.07 -0.15 -0.37 2.96 -0.46 -1.01 118.68 121.84 1ssd s LEU 230 Ca -0.09 -1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 1ssd s LEU 230 Cb -0.05 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1ssd s LEU 230 CO -0.04 -0.28 0.19 -0.69 -1.32 0.00 0.00 176.35 174.22 1ssd s VAL 231 N 1.38 5.39 0.00 1.68 1.01 0.38 -4.07 120.40 126.18 1ssd s VAL 231 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1ssd s VAL 231 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1ssd s VAL 231 CO 0.01 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1ssd n GLY 232 N 2.77 0.81 0.26 4.51 0.00 -1.26 -0.25 105.19 112.02 1ssd n GLY 232 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1ssd n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ssd h GLY 233 N 0.00 0.00 2.00 -0.02 0.00 -1.91 -2.24 103.07 100.91 1ssd h GLY 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ssd h GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1ssd h ALA 234 N 1.87 1.00 0.00 3.60 0.00 -1.88 -3.18 119.26 120.66 1ssd h ALA 234 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ssd h ALA 234 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ssd h ALA 234 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1ssd n SER 235 N -2.38 0.07 -0.00 0.00 3.41 -0.84 -2.41 113.62 111.46 1ssd n SER 235 Ca 0.05 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1ssd n SER 235 Cb 0.40 -0.54 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 1ssd n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ssd n LEU 236 N -1.59 0.85 -4.98 1.04 4.77 -1.20 -4.88 117.00 111.02 1ssd n LEU 236 Ca 0.02 -0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 55.34 1ssd n LEU 236 Cb 0.11 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1ssd n LEU 236 CO 0.09 0.21 0.07 -0.54 -1.33 0.00 0.00 177.39 175.89 1ssd s LYS 237 N -2.94 3.23 0.19 3.23 1.02 -1.01 -4.99 119.74 118.46 1ssd s LYS 237 Ca 0.06 -0.81 0.20 0.00 0.02 0.00 0.00 55.97 55.44 1ssd s LYS 237 Cb 0.15 -2.79 0.87 0.00 -0.52 0.00 0.00 37.83 35.54 1ssd s LYS 237 CO 0.82 0.12 1.61 -0.35 -0.92 0.00 0.00 175.35 176.64 1ssd n PRO 238 N -1.65 0.13 0.00 -1.68 -0.04 -1.26 -2.45 135.00 128.05 1ssd n PRO 238 Ca -0.03 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1ssd n PRO 238 Cb 0.58 -1.78 0.51 0.00 -0.04 0.00 0.00 33.50 32.77 1ssd n PRO 238 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ssd n GLU 239 N -2.03 0.22 -0.28 0.54 0.28 -1.26 -2.18 120.64 115.92 1ssd n GLU 239 Ca 0.02 0.10 0.12 0.00 -0.16 0.00 0.00 57.16 57.24 1ssd n GLU 239 Cb 0.18 -1.50 0.36 0.00 1.43 0.00 0.00 31.44 31.92 1ssd n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ssd h PHE 240 N 0.00 0.86 -0.73 -1.84 3.57 -1.43 -2.37 116.94 115.00 1ssd h PHE 240 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ssd h PHE 240 Cb 0.24 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1ssd h PHE 240 CO 0.00 0.31 0.48 0.28 -2.23 0.00 0.00 178.31 177.15 1ssd h VAL 241 N 0.72 1.15 0.00 1.41 2.07 -1.69 -2.08 116.25 117.84 1ssd h VAL 241 Ca 0.46 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 1ssd h VAL 241 Cb 0.71 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1ssd h VAL 241 CO -0.22 0.17 -0.32 0.44 0.02 0.00 0.00 177.57 177.66 1ssd h ASP 242 N 0.96 0.00 -0.18 0.57 3.32 -1.62 -2.33 116.42 117.13 1ssd h ASP 242 Ca 0.28 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.12 1ssd h ASP 242 Cb -0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ssd h ASP 242 CO -0.08 0.32 -0.72 0.40 -1.72 0.00 0.00 179.24 177.45 1ssd h ILE 243 N 0.00 1.28 -0.94 0.35 2.04 -1.28 -2.77 117.51 116.20 1ssd h ILE 243 Ca -0.00 -1.91 0.10 0.00 1.00 0.00 0.00 64.86 64.05 1ssd h ILE 243 Cb 0.58 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 1ssd h ILE 243 CO 0.04 0.61 0.60 0.40 0.00 0.00 0.00 178.15 179.80 1ssd h ILE 244 N 0.55 0.97 -0.44 -0.67 2.04 -1.16 -1.87 117.51 116.93 1ssd h ILE 244 Ca -0.04 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 1ssd h ILE 244 Cb 1.34 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1ssd h ILE 244 CO 0.15 0.17 0.12 0.59 0.00 0.00 0.00 178.15 179.18 1ssd n ASN 245 N -4.55 3.86 0.20 1.72 3.02 -0.90 -4.63 115.26 113.98 1ssd n ASN 245 Ca 0.16 -2.71 0.12 0.00 -0.03 0.00 0.00 54.58 52.12 1ssd n ASN 245 Cb 0.31 -0.65 0.68 0.00 -0.61 0.00 0.00 39.78 39.51 1ssd n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ssd h ALA 246 N 2.73 2.08 -0.05 5.41 0.00 -1.05 -3.05 119.26 125.33 1ssd h ALA 246 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ssd h ALA 246 Cb 1.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1ssd h ALA 246 CO 0.42 -0.18 0.03 1.63 0.00 0.00 0.00 179.25 181.16 1ssd n LYS 247 N -4.41 1.10 0.00 0.00 5.02 -1.26 -4.45 118.16 114.16 1ssd n LYS 247 Ca 0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1ssd n LYS 247 Cb 0.23 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1ssd n LYS 247 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49