#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 3.45 0.15 0.00 0.04 -1.26 -4.78 135.00 132.60 1ssd s PRO 3 Ca 0.00 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 1ssd s PRO 3 Cb 0.00 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1ssd s PRO 3 CO 0.00 -0.70 0.54 1.03 0.04 0.00 0.00 177.00 177.91 1ssd s ARG 4 N -4.04 3.96 0.14 4.56 0.52 -1.26 -5.04 118.95 117.79 1ssd s ARG 4 Ca 0.63 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 56.00 1ssd s ARG 4 Cb -0.15 -2.92 -0.07 0.00 0.52 0.00 0.00 34.95 32.33 1ssd s ARG 4 CO 0.35 0.48 1.02 0.21 0.02 0.00 0.00 175.30 177.38 1ssd s LYS 5 N -1.99 4.66 0.25 3.54 2.20 -1.26 -4.98 119.74 122.16 1ssd s LYS 5 Ca 0.38 1.56 -0.31 0.00 -0.36 0.00 0.00 55.97 57.24 1ssd s LYS 5 Cb -0.15 -3.33 -0.12 0.00 -1.51 0.00 0.00 37.83 32.72 1ssd s LYS 5 CO 0.19 0.17 1.65 0.12 -0.36 0.00 0.00 175.35 177.12 1ssd s PHE 6 N -0.13 2.82 -0.09 4.03 2.19 -1.25 -4.86 117.98 120.69 1ssd s PHE 6 Ca 0.48 0.58 0.02 0.00 0.33 0.00 0.00 56.93 58.34 1ssd s PHE 6 Cb -0.26 -4.10 0.01 0.00 -1.31 0.00 0.00 43.02 37.36 1ssd s PHE 6 CO 0.32 -3.93 -0.14 0.12 1.83 0.00 0.00 175.22 173.42 1ssd s PHE 7 N 0.53 1.77 -0.21 10.12 2.19 -0.39 -1.03 117.98 130.96 1ssd s PHE 7 Ca 0.68 -0.75 -0.02 0.00 0.33 0.00 0.00 56.93 57.18 1ssd s PHE 7 Cb -0.49 -1.28 0.06 0.00 -1.31 0.00 0.00 43.02 40.01 1ssd s PHE 7 CO 0.41 -0.38 0.02 0.08 1.83 0.00 0.00 175.22 177.18 1ssd s VAL 8 N 0.81 0.79 -0.05 3.12 1.01 -0.32 -1.36 120.40 124.40 1ssd s VAL 8 Ca -0.11 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1ssd s VAL 8 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1ssd s VAL 8 CO 0.02 -0.23 0.19 -0.83 0.00 0.00 0.00 175.10 174.25 1ssd s GLY 9 N 1.73 2.20 -0.17 4.51 0.00 -0.54 -2.33 107.32 112.73 1ssd s GLY 9 Ca -0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1ssd s GLY 9 CO -0.09 -0.44 -0.11 -0.32 0.00 0.00 0.00 173.10 172.14 1ssd s GLY 10 N -1.45 1.54 -0.46 0.20 0.00 0.63 -1.09 107.32 106.69 1ssd s GLY 10 Ca 0.22 -1.04 -0.09 0.00 0.00 0.00 0.00 44.72 43.81 1ssd s GLY 10 CO 0.11 0.09 0.32 0.21 0.00 0.00 0.00 173.10 173.84 1ssd s ASN 11 N 0.88 5.67 0.31 1.64 2.47 0.16 0.35 114.94 126.41 1ssd s ASN 11 Ca -0.03 -1.83 0.25 0.00 0.42 0.00 0.00 52.86 51.67 1ssd s ASN 11 Cb -0.15 -2.00 1.06 0.00 -1.45 0.00 0.00 41.25 38.72 1ssd s ASN 11 CO -0.00 -0.65 1.76 -0.50 -3.72 0.00 0.00 177.10 173.98 1ssd h TRP 12 N 8.42 0.00 0.00 0.43 6.55 -1.69 -3.40 115.95 126.26 1ssd h TRP 12 Ca -0.21 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.63 1ssd h TRP 12 Cb 1.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 1ssd h TRP 12 CO 0.63 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.65 1ssd n LYS 13 N -2.38 0.00 -2.63 0.49 5.02 -1.26 -3.19 118.16 114.22 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 0.23 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.25 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 11.41 4.58 -4.19 1.97 0.00 -1.26 -4.29 117.12 125.35 1ssd n MET 14 Ca 0.00 -4.22 -0.16 0.00 0.00 0.00 0.00 57.70 53.32 1ssd n MET 14 Cb 0.00 -2.60 -0.13 0.00 0.00 0.00 0.00 33.22 30.49 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 -0.84 1.14 0.00 6.12 0.01 -1.19 -5.14 114.94 115.04 1ssd s ASN 15 Ca 0.38 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1ssd s ASN 15 Cb 0.11 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.74 1ssd s ASN 15 CO -0.00 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.14 1ssd n GLY 16 N 1.89 2.78 3.21 0.66 0.00 -1.26 -4.85 105.19 107.62 1ssd n GLY 16 Ca -0.19 -1.95 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 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 1.31 -0.34 1.61 5.68 -1.26 -4.98 116.55 118.57 1ssd n ASP 17 Ca 0.00 -3.07 0.04 0.00 -0.50 0.00 0.00 54.79 51.26 1ssd n ASP 17 Cb 0.00 0.96 0.19 0.00 -1.14 0.00 0.00 41.12 41.13 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 0.97 -0.22 0.11 1.57 -1.99 -0.25 116.57 116.76 1ssd h LYS 18 Ca -0.31 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 1ssd h LYS 18 Cb 1.16 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1ssd h LYS 18 CO 0.49 0.64 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.53 1ssd h LYS 19 N 1.00 0.56 0.05 3.15 3.64 -1.98 -1.17 116.57 121.82 1ssd h LYS 19 Ca 0.44 -0.31 -0.24 0.00 -1.27 0.00 0.00 60.65 59.28 1ssd h LYS 19 Cb 0.34 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1ssd h LYS 19 CO -0.23 0.91 -1.10 0.66 -2.27 0.00 0.00 179.45 177.42 1ssd h SER 20 N 0.24 0.16 1.14 4.20 4.64 -1.90 -2.64 113.55 119.38 1ssd h SER 20 Ca 0.03 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1ssd h SER 20 Cb 0.83 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1ssd h SER 20 CO 0.06 1.13 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.57 1ssd h LEU 21 N 0.03 0.00 -0.57 5.97 3.38 -1.13 -2.82 115.31 120.17 1ssd h LEU 21 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1ssd h LEU 21 Cb 1.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1ssd h LEU 21 CO 0.16 0.52 -0.11 1.23 0.09 0.00 0.00 178.44 180.33 1ssd h GLY 22 N 2.80 1.12 1.18 0.83 0.00 -1.10 -1.10 103.07 106.80 1ssd h GLY 22 Ca -0.01 -0.90 -0.15 0.00 0.00 0.00 0.00 47.33 46.28 1ssd h GLY 22 CO 0.07 0.82 -0.33 0.83 0.00 0.00 0.00 176.54 177.93 1ssd h GLU 23 N 0.92 0.91 -0.53 4.80 5.08 -1.48 -1.89 114.58 122.38 1ssd h GLU 23 Ca 0.14 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1ssd h GLU 23 Cb 0.68 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ssd h GLU 23 CO 0.05 1.09 0.15 1.25 -1.00 0.00 0.00 179.01 180.55 1ssd h LEU 24 N 0.76 0.79 -0.50 1.33 5.85 -1.42 -2.30 115.31 119.83 1ssd h LEU 24 Ca 0.08 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1ssd h LEU 24 Cb 0.90 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1ssd h LEU 24 CO 0.08 0.80 0.09 0.40 -0.34 0.00 0.00 178.44 179.48 1ssd h ILE 25 N 0.74 1.25 -0.79 4.05 2.04 -1.15 -2.36 117.51 121.29 1ssd h ILE 25 Ca 0.17 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1ssd h ILE 25 Cb 0.31 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1ssd h ILE 25 CO -0.00 0.32 0.52 -0.74 0.00 0.00 0.00 178.15 178.25 1ssd h HIS 26 N 0.69 0.96 -0.32 1.37 2.76 -1.23 0.74 115.15 120.12 1ssd h HIS 26 Ca 0.15 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1ssd h HIS 26 Cb 0.38 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1ssd h HIS 26 CO 0.03 0.57 0.06 1.15 -1.30 0.00 0.00 177.93 178.43 1ssd h THR 27 N 1.00 1.23 -0.60 6.26 2.02 -1.14 -2.70 112.91 118.98 1ssd h THR 27 Ca 0.31 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1ssd h THR 27 Cb 0.00 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1ssd h THR 27 CO -0.08 0.27 0.05 -0.07 0.37 0.00 0.00 175.52 176.05 1ssd h LEU 28 N 0.36 1.00 -1.96 2.58 3.38 -0.89 -2.04 115.31 117.73 1ssd h LEU 28 Ca 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1ssd h LEU 28 Cb 0.34 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ssd h LEU 28 CO 0.01 1.03 -0.11 0.78 0.09 0.00 0.00 178.44 180.24 1ssd h ASN 29 N 0.93 0.00 -0.09 -0.43 2.35 -0.81 -2.60 115.58 114.93 1ssd h ASN 29 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1ssd h ASN 29 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1ssd h ASN 29 CO 0.02 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1ssd n GLY 30 N -0.92 0.71 3.80 2.83 0.00 -1.02 -5.01 105.19 105.58 1ssd n GLY 30 Ca -0.02 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.52 3.03 -0.69 4.61 0.00 -0.78 -4.99 121.76 121.41 1ssd s ALA 31 Ca 0.24 0.54 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 1ssd s ALA 31 Cb 0.16 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 20.08 1ssd s ALA 31 CO 0.24 -0.05 1.54 0.15 0.00 0.00 0.00 175.76 177.64 1ssd s LYS 32 N -2.88 2.95 -0.08 0.00 1.02 -1.26 -5.00 119.74 114.49 1ssd s LYS 32 Ca 0.61 0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.65 1ssd s LYS 32 Cb -0.15 -4.31 -0.04 0.00 -0.52 0.00 0.00 37.83 32.81 1ssd s LYS 32 CO 0.19 -2.42 0.13 -0.51 -0.92 0.00 0.00 175.35 171.82 1ssd s LEU 33 N 7.22 4.24 0.15 3.17 1.43 -1.26 -4.97 118.68 128.66 1ssd s LEU 33 Ca 0.50 0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 53.65 1ssd s LEU 33 Cb -0.10 -2.18 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 1ssd s LEU 33 CO 0.17 0.36 1.55 -0.55 0.23 0.00 0.00 176.35 178.10 1ssd s SER 34 N -1.29 6.62 0.45 2.29 0.15 -1.26 -4.89 113.70 115.77 1ssd s SER 34 Ca 0.18 2.57 0.22 0.00 0.70 0.00 0.00 55.95 59.62 1ssd s SER 34 Cb -0.12 -2.59 1.09 0.00 -1.71 0.00 0.00 66.02 62.68 1ssd s SER 34 CO 0.08 -0.80 1.93 0.00 1.20 0.00 0.00 173.24 175.65 1ssd h ALA 35 N 6.89 1.25 -0.47 5.45 0.00 -1.97 -2.81 119.26 127.60 1ssd h ALA 35 Ca -0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 1ssd h ALA 35 Cb 1.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1ssd h ALA 35 CO 0.91 0.29 0.06 -0.40 0.00 0.00 0.00 179.25 180.10 1ssd n ASP 36 N -3.73 4.49 -4.26 0.00 5.68 -1.26 -4.86 116.55 112.61 1ssd n ASP 36 Ca -0.01 -2.76 -0.32 0.00 -0.50 0.00 0.00 54.79 51.19 1ssd n ASP 36 Cb 0.34 -0.66 -0.16 0.00 -1.14 0.00 0.00 41.12 39.50 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 -2.36 2.21 -0.26 2.12 2.01 -1.06 -3.78 115.64 114.52 1ssd s THR 37 Ca 0.42 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 1ssd s THR 37 Cb 0.32 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1ssd s THR 37 CO 0.12 0.56 0.44 -0.70 -0.69 0.00 0.00 174.62 174.35 1ssd s GLU 38 N 0.16 4.05 -0.10 4.92 2.12 -0.20 -4.92 118.70 124.73 1ssd s GLU 38 Ca -0.13 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.40 1ssd s GLU 38 Cb -0.16 -3.65 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 1ssd s GLU 38 CO 0.07 -0.30 -0.13 0.08 -0.54 0.00 0.00 175.26 174.44 1ssd s VAL 39 N 2.14 3.10 -0.02 3.70 1.01 -1.26 -1.17 120.40 127.89 1ssd s VAL 39 Ca 0.18 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1ssd s VAL 39 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1ssd s VAL 39 CO 0.09 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.97 1ssd s VAL 40 N -0.04 0.69 -0.13 2.92 1.01 -0.98 -0.57 120.40 123.30 1ssd s VAL 40 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1ssd s VAL 40 Cb -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1ssd s VAL 40 CO 0.04 0.22 -0.12 0.00 0.00 0.00 0.00 175.10 175.24 1ssd s GLY 42 N 0.32 2.05 0.24 0.00 0.00 0.15 -0.92 107.32 109.16 1ssd s GLY 42 Ca -0.09 -2.21 0.01 0.00 0.00 0.00 0.00 44.72 42.42 1ssd s GLY 42 CO 0.05 1.08 0.41 0.00 0.00 0.00 0.00 173.10 174.65 1ssd s ALA 43 N 1.61 3.83 0.60 3.20 0.00 -0.96 -2.11 121.76 127.93 1ssd s ALA 43 Ca 0.04 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 1ssd s ALA 43 Cb -0.25 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1ssd s ALA 43 CO 0.05 0.31 1.20 -2.14 0.00 0.00 0.00 175.76 175.19 1ssd s PRO 44 N -3.63 2.96 0.34 0.00 0.02 -1.26 -4.04 135.00 129.39 1ssd s PRO 44 Ca 0.38 1.81 0.06 0.00 0.02 0.00 0.00 61.00 63.27 1ssd s PRO 44 Cb -0.10 -1.93 0.71 0.00 0.02 0.00 0.00 34.50 33.20 1ssd s PRO 44 CO 0.30 -1.21 1.91 0.66 -0.33 0.00 0.00 177.00 178.33 1ssd h SER 45 N 0.86 0.73 0.69 2.53 4.64 -1.95 -0.88 113.55 120.17 1ssd h SER 45 Ca -0.50 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ssd h SER 45 Cb 1.30 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ssd h SER 45 CO 0.55 0.43 0.00 0.00 -0.87 0.00 0.00 176.83 176.94 1ssd n ILE 46 N -4.52 0.86 -0.30 0.95 3.06 -1.26 -2.58 119.36 115.56 1ssd n ILE 46 Ca 0.14 0.23 0.03 0.00 -2.50 0.00 0.00 62.75 60.66 1ssd n ILE 46 Cb 0.32 -1.14 0.06 0.00 0.54 0.00 0.00 39.64 39.42 1ssd n ILE 46 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1ssd n TYR 47 N -2.12 0.11 -0.09 9.51 0.53 -0.36 -4.82 117.16 119.92 1ssd n TYR 47 Ca 0.02 -0.63 -0.10 0.00 -1.02 0.00 0.00 57.90 56.18 1ssd n TYR 47 Cb 0.22 -0.08 -0.03 0.00 -1.03 0.00 0.00 39.34 38.42 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 0.36 0.39 -0.58 7.72 3.38 -1.23 0.11 115.31 125.46 1ssd h LEU 48 Ca 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ssd h LEU 48 Cb 0.69 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1ssd h LEU 48 CO 0.01 0.45 0.36 -0.78 0.09 0.00 0.00 178.44 178.58 1ssd h ASP 49 N 0.30 0.69 -0.36 -0.43 -0.00 -1.88 -1.13 116.42 113.61 1ssd h ASP 49 Ca 0.09 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.03 57.03 1ssd h ASP 49 Cb 0.19 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.33 1ssd h ASP 49 CO -0.01 0.53 0.03 0.15 -0.00 0.00 0.00 179.24 179.95 1ssd h PHE 50 N 0.79 0.66 -0.56 0.28 3.04 -1.85 -1.74 116.94 117.56 1ssd h PHE 50 Ca 0.21 -0.10 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 1ssd h PHE 50 Cb -0.04 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 1ssd h PHE 50 CO -0.03 0.69 0.25 0.00 -2.02 0.00 0.00 178.31 177.21 1ssd h ALA 51 N 0.89 0.72 -0.33 2.41 0.00 -0.60 -2.15 119.26 120.20 1ssd h ALA 51 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ssd h ALA 51 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ssd h ALA 51 CO 0.01 0.30 -0.19 -0.09 0.00 0.00 0.00 179.25 179.29 1ssd h ARG 52 N 0.76 0.62 -0.15 0.00 9.65 -1.10 -0.85 114.38 123.30 1ssd h ARG 52 Ca 0.19 -0.22 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1ssd h ARG 52 Cb 0.15 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1ssd h ARG 52 CO -0.02 0.77 0.02 1.96 2.80 0.00 0.00 179.97 185.50 1ssd h GLN 53 N 0.55 0.26 0.04 0.20 4.20 -1.06 -3.33 115.11 115.96 1ssd h GLN 53 Ca 0.09 -0.07 -0.23 0.00 0.06 0.00 0.00 58.65 58.50 1ssd h GLN 53 Cb 0.63 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1ssd h GLN 53 CO 0.04 0.45 -1.07 0.87 -0.67 0.00 0.00 178.83 178.46 1ssd h LYS 54 N 0.03 0.08 -6.96 1.46 1.79 -1.19 -3.46 116.57 108.33 1ssd h LYS 54 Ca 0.05 -0.14 -0.48 0.00 -2.18 0.00 0.00 60.65 57.90 1ssd h LYS 54 Cb 0.32 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1ssd h LYS 54 CO 0.00 1.06 0.39 -0.51 -1.08 0.00 0.00 179.45 179.32 1ssd s LEU 55 N -6.86 4.16 0.41 2.94 1.43 -0.34 -4.96 118.68 115.46 1ssd s LEU 55 Ca -0.01 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 54.80 1ssd s LEU 55 Cb 0.09 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 42.04 1ssd s LEU 55 CO 0.84 -0.40 1.35 -0.62 0.23 0.00 0.00 176.35 177.74 1ssd s ASP 56 N -1.63 6.24 0.57 2.29 2.15 -1.26 -4.90 116.67 120.14 1ssd s ASP 56 Ca 0.57 2.75 0.27 0.00 0.43 0.00 0.00 52.55 56.56 1ssd s ASP 56 Cb -0.20 -2.64 1.64 0.00 -0.30 0.00 0.00 42.92 41.41 1ssd s ASP 56 CO 0.26 -0.91 2.16 0.00 -0.17 0.00 0.00 175.17 176.51 1ssd h ALA 57 N 2.66 1.78 0.00 3.66 0.00 -1.94 -1.00 119.26 124.43 1ssd h ALA 57 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ssd h ALA 57 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ssd h ALA 57 CO 0.62 -0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.34 1ssd n LYS 58 N -3.98 0.01 -4.55 0.00 5.02 -1.26 -4.56 118.16 108.84 1ssd n LYS 58 Ca -0.00 0.40 -0.33 0.00 -2.02 0.00 0.00 58.31 56.36 1ssd n LYS 58 Cb 0.22 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.55 1ssd n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ssd s ILE 59 N -3.04 3.25 0.61 -0.18 1.01 -0.38 -4.68 121.20 117.79 1ssd s ILE 59 Ca 0.03 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 1ssd s ILE 59 Cb 0.04 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1ssd s ILE 59 CO 0.13 0.50 1.06 -0.83 0.00 0.00 0.00 174.94 175.80 1ssd s GLY 60 N 0.55 2.07 -0.06 6.18 0.00 0.27 -4.80 107.32 111.53 1ssd s GLY 60 Ca -0.07 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.05 1ssd s GLY 60 CO 0.03 0.67 -0.19 0.14 0.00 0.00 0.00 173.10 173.75 1ssd s VAL 61 N -2.53 1.62 -0.02 1.40 1.01 -1.26 -1.04 120.40 119.58 1ssd s VAL 61 Ca 0.63 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1ssd s VAL 61 Cb -0.16 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1ssd s VAL 61 CO 0.39 0.46 -0.24 0.00 0.00 0.00 0.00 175.10 175.72 1ssd s ALA 62 N 0.20 1.96 0.67 5.51 0.00 -0.10 -2.72 121.76 127.29 1ssd s ALA 62 Ca -0.10 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1ssd s ALA 62 Cb -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1ssd s ALA 62 CO 0.04 0.47 1.08 0.00 0.00 0.00 0.00 175.76 177.35 1ssd s ALA 63 N -0.51 2.55 -2.24 0.00 0.00 -0.85 -2.27 121.76 118.44 1ssd s ALA 63 Ca 0.08 0.35 0.26 0.00 0.00 0.00 0.00 51.96 52.65 1ssd s ALA 63 Cb -0.09 -3.25 0.69 0.00 0.00 0.00 0.00 23.12 20.46 1ssd s ALA 63 CO -0.01 -1.23 1.53 1.04 0.00 0.00 0.00 175.76 177.09 1ssd n GLN 64 N -2.68 1.40 -3.62 0.00 6.02 -1.26 -1.02 117.38 116.22 1ssd n GLN 64 Ca 0.09 -0.93 -0.01 0.00 -0.01 0.00 0.00 57.00 56.14 1ssd n GLN 64 Cb 0.53 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.24 -0.03 0.39 1.08 2.47 -1.19 -4.66 114.94 110.76 1ssd s ASN 65 Ca 0.29 -0.01 -0.14 0.00 0.42 0.00 0.00 52.86 53.43 1ssd s ASN 65 Cb 0.20 0.03 0.06 0.00 -1.45 0.00 0.00 41.25 40.09 1ssd s ASN 65 CO 0.43 -0.06 0.76 0.00 -3.72 0.00 0.00 177.10 174.51 1ssd s TYR 67 N -2.33 2.21 -1.53 0.00 5.04 0.21 -4.95 117.35 115.99 1ssd s TYR 67 Ca 0.16 -0.67 0.20 0.00 -2.44 0.00 0.00 57.07 54.33 1ssd s TYR 67 Cb -0.05 -2.02 0.67 0.00 0.35 0.00 0.00 41.96 40.92 1ssd s TYR 67 CO 0.12 -0.22 1.57 0.36 -1.34 0.00 0.00 175.55 176.05 1ssd n LYS 68 N -1.58 3.21 -4.12 4.97 2.85 -1.26 -4.50 118.16 117.73 1ssd n LYS 68 Ca 0.00 -2.76 -0.09 0.00 -1.05 0.00 0.00 58.31 54.42 1ssd n LYS 68 Cb 0.63 -1.71 -0.10 0.00 -0.65 0.00 0.00 35.03 33.20 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 -1.41 0.47 0.20 0.58 -7.23 -1.26 -4.86 120.40 106.89 1ssd s VAL 69 Ca 0.49 -1.77 0.16 0.00 -1.81 0.00 0.00 61.98 59.06 1ssd s VAL 69 Cb 0.29 -1.46 0.09 0.00 0.56 0.00 0.00 36.38 35.85 1ssd s VAL 69 CO 0.29 -0.87 1.70 -0.65 -0.31 0.00 0.00 175.10 175.26 1ssd h PRO 70 N 3.24 0.00 -2.41 4.82 0.11 -1.99 -3.44 132.00 132.33 1ssd h PRO 70 Ca -0.35 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.86 1ssd h PRO 70 Cb 1.16 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 1ssd h PRO 70 CO 0.62 0.45 0.44 -1.59 -0.21 0.00 0.00 178.00 177.71 1ssd s LYS 71 N -3.62 0.97 0.00 1.05 -2.85 -1.26 -4.66 119.74 109.38 1ssd s LYS 71 Ca -0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 1ssd s LYS 71 Cb 0.12 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1ssd s LYS 71 CO 0.71 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 176.14 1ssd n GLY 72 N -0.31 -0.11 3.27 0.59 0.00 -1.26 -5.00 105.19 102.37 1ssd n GLY 72 Ca -0.09 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.66 4.30 -3.30 4.61 0.00 -1.26 -4.75 120.51 119.45 1ssd n ALA 73 Ca 0.00 -3.95 -0.25 0.00 0.00 0.00 0.00 53.44 49.24 1ssd n ALA 73 Cb 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 19.45 15.90 1ssd n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ssd n PHE 74 N 7.02 -0.27 -1.68 0.00 3.72 -1.26 -5.11 117.46 119.89 1ssd n PHE 74 Ca 0.48 -3.52 -0.46 0.00 -0.05 0.00 0.00 57.45 53.90 1ssd n PHE 74 Cb 0.43 -0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1ssd n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ssd n THR 75 N 1.95 0.26 -0.07 4.37 -1.04 -1.26 -2.14 114.28 116.34 1ssd n THR 75 Ca 0.25 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1ssd n THR 75 Cb 0.50 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1ssd n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssd n GLY 76 N 3.89 0.48 3.85 3.41 0.00 -1.26 -5.07 105.19 110.48 1ssd n GLY 76 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.91 3.02 0.13 1.61 0.41 -0.91 -5.14 118.70 116.91 1ssd s GLU 77 Ca 0.00 -0.98 0.08 0.00 -0.41 0.00 0.00 54.97 53.66 1ssd s GLU 77 Cb 0.00 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.68 1ssd s GLU 77 CO 0.00 0.42 -0.18 0.96 -0.49 0.00 0.00 175.26 175.97 1ssd s ILE 78 N -2.06 1.65 0.22 -1.63 -4.36 -1.26 -5.02 121.20 108.74 1ssd s ILE 78 Ca 0.33 -1.74 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 1ssd s ILE 78 Cb -0.08 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1ssd s ILE 78 CO 0.25 -0.26 0.09 -0.94 0.24 0.00 0.00 174.94 174.32 1ssd s SER 79 N -2.36 5.11 0.42 4.36 1.04 -1.26 -0.62 113.70 120.39 1ssd s SER 79 Ca 0.11 -0.35 0.22 0.00 0.48 0.00 0.00 55.95 56.40 1ssd s SER 79 Cb -0.07 -1.19 1.19 0.00 0.10 0.00 0.00 66.02 66.05 1ssd s SER 79 CO 0.05 0.03 1.77 -0.65 0.98 0.00 0.00 173.24 175.42 1ssd h PRO 80 N 2.09 0.31 -0.85 4.02 0.11 -1.85 -1.61 132.00 134.22 1ssd h PRO 80 Ca -0.47 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1ssd h PRO 80 Cb 1.22 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 1ssd h PRO 80 CO 0.60 0.20 0.46 0.00 -0.21 0.00 0.00 178.00 179.06 1ssd h ALA 81 N 1.59 1.26 -0.04 -0.75 0.00 -1.93 -0.09 119.26 119.30 1ssd h ALA 81 Ca 0.60 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 55.38 1ssd h ALA 81 Cb 1.66 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ssd h ALA 81 CO -0.26 -0.02 -0.80 0.52 0.00 0.00 0.00 179.25 178.69 1ssd h MET 82 N 0.69 0.36 -0.26 0.00 2.86 -1.63 -2.28 114.93 114.67 1ssd h MET 82 Ca 0.44 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1ssd h MET 82 Cb 0.56 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1ssd h MET 82 CO -0.32 0.99 0.00 0.82 1.06 0.00 0.00 176.91 179.46 1ssd h ILE 83 N 0.23 1.25 -0.36 -1.22 2.04 -1.05 -2.68 117.51 115.73 1ssd h ILE 83 Ca -0.04 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1ssd h ILE 83 Cb 1.40 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1ssd h ILE 83 CO 0.13 0.29 0.10 0.11 0.00 0.00 0.00 178.15 178.79 1ssd h LYS 84 N 0.25 0.52 -0.85 2.37 1.57 -1.05 -2.41 116.57 116.96 1ssd h LYS 84 Ca 0.07 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1ssd h LYS 84 Cb 0.41 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1ssd h LYS 84 CO 0.01 0.47 0.41 0.22 -0.57 0.00 0.00 179.45 179.99 1ssd h ASP 85 N 0.52 1.12 0.43 0.86 3.58 -1.07 -1.48 116.42 120.38 1ssd h ASP 85 Ca 0.12 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1ssd h ASP 85 Cb 0.17 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1ssd h ASP 85 CO -0.01 0.94 -0.14 2.30 -2.88 0.00 0.00 179.24 179.45 1ssd n ILE 86 N -4.30 0.00 0.00 2.25 -6.64 -1.12 -4.93 119.36 104.62 1ssd n ILE 86 Ca 0.08 -0.05 0.00 0.00 -1.77 0.00 0.00 62.75 61.01 1ssd n ILE 86 Cb 0.14 -0.07 0.00 0.00 -1.44 0.00 0.00 39.64 38.27 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 1.33 1.06 3.89 3.28 0.00 -0.56 -4.86 105.19 109.32 1ssd n GLY 87 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.44 0.00 4.61 0.00 -0.93 -4.98 121.76 121.91 1ssd s ALA 88 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1ssd s ALA 88 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1ssd s ALA 88 CO 0.00 0.00 0.41 0.00 0.00 0.00 0.00 175.76 176.17 1ssd n ALA 89 N -1.37 1.82 -2.30 0.00 0.00 -1.18 -4.03 120.51 113.45 1ssd n ALA 89 Ca 0.01 -0.41 -0.16 0.00 0.00 0.00 0.00 53.44 52.88 1ssd n ALA 89 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.06 1.47 -0.14 0.00 0.52 -1.10 -0.53 118.94 119.10 1ssd s TRP 90 Ca 0.00 -0.76 -0.10 0.00 0.02 0.00 0.00 56.10 55.27 1ssd s TRP 90 Cb 0.00 -0.77 0.04 0.00 -1.15 0.00 0.00 33.47 31.60 1ssd s TRP 90 CO 0.00 0.12 0.35 0.54 0.02 0.00 0.00 176.95 177.98 1ssd s VAL 91 N -3.26 -0.02 -0.19 4.03 0.11 -0.41 -2.01 120.40 118.65 1ssd s VAL 91 Ca 0.22 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.14 1ssd s VAL 91 Cb 0.03 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1ssd s VAL 91 CO 0.04 0.03 0.53 -0.63 -3.33 0.00 0.00 175.10 171.74 1ssd s ILE 92 N 0.81 5.10 -0.01 7.04 1.01 -0.19 -1.54 121.20 133.43 1ssd s ILE 92 Ca -0.05 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.64 1ssd s ILE 92 Cb -0.06 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 1ssd s ILE 92 CO -0.06 0.18 -0.13 -0.76 0.00 0.00 0.00 174.94 174.18 1ssd s LEU 93 N 1.56 2.04 -0.19 2.97 1.43 -0.70 -3.20 118.68 122.58 1ssd s LEU 93 Ca 0.25 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1ssd s LEU 93 Cb -0.15 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1ssd s LEU 93 CO 0.10 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1ssd n GLY 94 N 2.70 0.54 3.60 -3.19 0.00 -1.26 -1.40 105.19 106.18 1ssd n GLY 94 Ca -0.14 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.92 0.80 -0.30 1.61 -0.00 -1.26 -4.42 115.22 108.72 1ssd n HIS 95 Ca -0.02 0.46 0.12 0.00 0.46 0.00 0.00 57.72 58.74 1ssd n HIS 95 Cb 0.07 -2.15 0.29 0.00 -0.12 0.00 0.00 29.99 28.08 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 0.72 0.34 -0.27 0.26 0.87 -1.91 -0.66 113.55 112.89 1ssd h SER 96 Ca -0.47 0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.15 1ssd h SER 96 Cb 1.36 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 1ssd h SER 96 CO 0.52 0.03 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.41 1ssd h GLU 97 N 0.42 0.67 -0.02 2.24 5.08 -1.97 -0.28 114.58 120.73 1ssd h GLU 97 Ca 0.54 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1ssd h GLU 97 Cb 0.98 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1ssd h GLU 97 CO -0.51 0.76 0.01 0.00 -1.00 0.00 0.00 179.01 178.27 1ssd h ARG 98 N 0.62 0.03 -0.59 2.33 2.47 -1.48 -1.05 114.38 116.70 1ssd h ARG 98 Ca 0.11 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 1ssd h ARG 98 Cb 0.54 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1ssd h ARG 98 CO 0.03 0.22 0.26 0.00 0.56 0.00 0.00 179.97 181.03 1ssd h ARG 99 N -0.17 0.87 0.00 0.04 3.08 -1.19 -1.85 114.38 115.16 1ssd h ARG 99 Ca 0.01 -0.15 -0.30 0.00 0.07 0.00 0.00 59.98 59.61 1ssd h ARG 99 Cb 0.20 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1ssd h ARG 99 CO -0.00 0.73 -2.13 0.72 -1.07 0.00 0.00 179.97 178.23 1ssd n HIS 100 N -4.49 0.00 0.07 3.04 8.25 -0.13 -2.75 115.22 119.20 1ssd n HIS 100 Ca 0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 1ssd n HIS 100 Cb 0.15 -0.78 -0.14 0.00 1.12 0.00 0.00 29.99 30.34 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 1.09 -0.07 1.59 2.07 -1.35 -3.39 116.25 116.19 1ssd h VAL 101 Ca -0.44 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.37 1ssd h VAL 101 Cb 1.80 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.34 1ssd h VAL 101 CO -0.04 0.83 0.00 0.49 0.02 0.00 0.00 177.57 178.87 1ssd n PHE 102 N -3.50 0.08 -1.86 1.57 3.72 -1.08 -5.02 117.46 111.37 1ssd n PHE 102 Ca -0.19 -0.07 -0.08 0.00 -0.05 0.00 0.00 57.45 57.06 1ssd n PHE 102 Cb 1.06 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.58 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 0.75 0.34 3.71 1.37 0.00 -0.74 -4.95 105.19 105.68 1ssd n GLY 103 Ca 0.09 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.84 4.38 0.63 1.61 2.02 -0.97 -4.98 118.70 117.56 1ssd s GLU 104 Ca 0.00 1.88 -0.08 0.00 0.02 0.00 0.00 54.97 56.79 1ssd s GLU 104 Cb 0.00 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1ssd s GLU 104 CO 0.00 -0.34 0.97 -1.54 0.02 0.00 0.00 175.26 174.37 1ssd s SER 105 N 1.13 5.53 0.29 -0.19 1.04 -1.26 -4.41 113.70 115.82 1ssd s SER 105 Ca 0.61 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.87 1ssd s SER 105 Cb -0.32 -1.77 0.46 0.00 0.10 0.00 0.00 66.02 64.50 1ssd s SER 105 CO 0.29 -1.17 1.91 0.44 0.98 0.00 0.00 173.24 175.69 1ssd h ASP 106 N -0.34 0.97 0.05 7.02 3.32 -1.97 -2.40 116.42 123.07 1ssd h ASP 106 Ca -0.45 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.40 1ssd h ASP 106 Cb 1.26 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1ssd h ASP 106 CO 0.62 0.64 -0.72 -0.33 -1.72 0.00 0.00 179.24 177.72 1ssd h GLU 107 N 1.11 0.59 -0.46 3.56 3.07 -1.93 -1.37 114.58 119.16 1ssd h GLU 107 Ca 0.39 -0.47 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1ssd h GLU 107 Cb 0.13 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1ssd h GLU 107 CO -0.14 1.09 0.06 1.25 -1.40 0.00 0.00 179.01 179.87 1ssd h LEU 108 N 0.41 0.68 -0.22 1.33 5.85 -1.86 -1.83 115.31 119.67 1ssd h LEU 108 Ca -0.03 -0.13 -0.22 0.00 0.84 0.00 0.00 57.88 58.34 1ssd h LEU 108 Cb 1.31 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1ssd h LEU 108 CO 0.14 0.71 -0.86 0.40 -0.34 0.00 0.00 178.44 178.49 1ssd h ILE 109 N 0.69 1.35 -0.66 4.05 2.04 -1.25 -0.28 117.51 123.45 1ssd h ILE 109 Ca 0.15 -2.24 0.06 0.00 1.00 0.00 0.00 64.86 63.83 1ssd h ILE 109 Cb 0.34 2.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 1ssd h ILE 109 CO 0.01 0.68 0.36 1.23 0.00 0.00 0.00 178.15 180.42 1ssd h GLY 110 N 1.02 0.97 0.95 5.37 0.00 -1.08 -1.44 103.07 108.86 1ssd h GLY 110 Ca -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1ssd h GLY 110 CO 0.16 0.14 0.07 1.46 0.00 0.00 0.00 176.54 178.36 1ssd h GLN 111 N 0.65 0.71 -0.58 4.80 4.20 -1.02 -2.45 115.11 121.42 1ssd h GLN 111 Ca 0.30 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 1ssd h GLN 111 Cb 0.21 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1ssd h GLN 111 CO -0.20 0.75 0.16 0.87 -0.67 0.00 0.00 178.83 179.74 1ssd h LYS 112 N 0.57 0.89 -0.09 1.46 1.57 -0.71 -2.66 116.57 117.60 1ssd h LYS 112 Ca 0.13 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ssd h LYS 112 Cb 0.38 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ssd h LYS 112 CO 0.01 0.79 -0.05 0.28 -0.57 0.00 0.00 179.45 179.91 1ssd h VAL 113 N 0.86 1.33 -0.98 0.50 2.07 -1.17 -1.03 116.25 117.84 1ssd h VAL 113 Ca 0.19 -1.09 0.15 0.00 0.82 0.00 0.00 66.70 66.77 1ssd h VAL 113 Cb 0.29 1.86 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 1ssd h VAL 113 CO -0.00 0.31 0.61 0.00 0.02 0.00 0.00 177.57 178.51 1ssd h ALA 114 N 0.63 1.66 -0.05 1.67 0.00 -1.32 -0.96 119.26 120.88 1ssd h ALA 114 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ssd h ALA 114 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ssd h ALA 114 CO 0.01 0.06 -0.15 1.25 0.00 0.00 0.00 179.25 180.42 1ssd h HIS 115 N 0.85 0.25 -0.75 0.00 6.17 -1.26 -1.76 115.15 118.64 1ssd h HIS 115 Ca 0.51 -0.10 0.14 0.00 0.71 0.00 0.00 60.37 61.63 1ssd h HIS 115 Cb 0.68 -0.04 -0.10 0.00 2.52 0.00 0.00 27.41 30.47 1ssd h HIS 115 CO -0.00 0.77 0.29 0.00 0.71 0.00 0.00 177.93 179.70 1ssd h ALA 116 N 0.44 1.06 -0.43 5.26 0.00 -0.81 -1.44 119.26 123.34 1ssd h ALA 116 Ca -0.00 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1ssd h ALA 116 Cb 0.77 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ssd h ALA 116 CO 0.03 -0.22 -0.13 -0.07 0.00 0.00 0.00 179.25 178.86 1ssd h LEU 117 N 0.43 0.87 -1.93 0.00 3.38 -1.16 -1.65 115.31 115.25 1ssd h LEU 117 Ca 0.42 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ssd h LEU 117 Cb 0.64 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ssd h LEU 117 CO -0.41 1.04 -0.06 0.00 0.09 0.00 0.00 178.44 179.10 1ssd h ALA 118 N 0.85 1.10 -0.01 1.53 0.00 -0.46 -1.64 119.26 120.63 1ssd h ALA 118 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ssd h ALA 118 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ssd h ALA 118 CO 0.05 0.08 -0.46 0.39 0.00 0.00 0.00 179.25 179.30 1ssd n GLU 119 N -3.30 0.59 -0.25 0.00 -0.58 -0.62 -4.96 120.64 111.52 1ssd n GLU 119 Ca -0.01 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 1ssd n GLU 119 Cb 0.24 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.42 1.37 3.91 0.62 0.00 -0.62 -5.01 105.19 106.89 1ssd n GLY 120 Ca 0.09 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 4.19 0.39 0.99 1.43 -0.65 -4.99 118.68 120.05 1ssd s LEU 121 Ca 0.00 0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.47 1ssd s LEU 121 Cb 0.00 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 1ssd s LEU 121 CO 0.00 -0.06 0.84 -0.83 0.23 0.00 0.00 176.35 176.53 1ssd s GLY 122 N -2.97 2.27 -0.05 -3.19 0.00 0.31 -4.32 107.32 99.37 1ssd s GLY 122 Ca 0.41 0.15 0.03 0.00 0.00 0.00 0.00 44.72 45.30 1ssd s GLY 122 CO 0.28 0.38 -0.13 0.14 0.00 0.00 0.00 173.10 173.78 1ssd s VAL 123 N -2.17 1.13 -0.61 1.40 1.01 -0.68 -1.29 120.40 119.19 1ssd s VAL 123 Ca 0.57 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1ssd s VAL 123 Cb -0.10 -1.01 0.16 0.00 0.00 0.00 0.00 36.38 35.42 1ssd s VAL 123 CO 0.19 0.35 0.52 -0.63 0.00 0.00 0.00 175.10 175.53 1ssd s ILE 124 N 0.47 4.88 -0.27 2.22 1.01 -0.59 -0.94 121.20 127.98 1ssd s ILE 124 Ca -0.11 -2.01 -0.20 0.00 0.00 0.00 0.00 60.65 58.33 1ssd s ILE 124 Cb -0.14 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1ssd s ILE 124 CO 0.03 -0.89 0.61 0.00 0.00 0.00 0.00 174.94 174.69 1ssd s ALA 125 N 0.95 3.58 0.06 9.38 0.00 -0.40 -1.72 121.76 133.62 1ssd s ALA 125 Ca 0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1ssd s ALA 125 Cb -0.22 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 1ssd s ALA 125 CO -0.02 -0.88 0.33 0.00 0.00 0.00 0.00 175.76 175.19 1ssd s ILE 127 N -1.41 0.23 0.00 0.00 -4.36 -0.43 -4.63 121.20 110.60 1ssd s ILE 127 Ca 0.32 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1ssd s ILE 127 Cb -0.13 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.19 1ssd s ILE 127 CO 0.19 -0.94 0.00 0.61 0.24 0.00 0.00 174.94 175.04 1ssd n GLY 128 N 0.27 2.61 3.94 6.27 0.00 -1.26 -1.12 105.19 115.90 1ssd n GLY 128 Ca -0.15 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 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 0.66 1.61 1.03 -1.26 -4.69 118.70 117.53 1ssd s GLU 129 Ca 0.00 -0.48 -0.07 0.00 0.03 0.00 0.00 54.97 54.45 1ssd s GLU 129 Cb 0.00 -2.82 0.03 0.00 -0.80 0.00 0.00 34.13 30.54 1ssd s GLU 129 CO 0.00 0.36 0.98 0.15 -1.33 0.00 0.00 175.26 175.41 1ssd s LYS 130 N -3.75 2.58 0.17 -4.83 1.02 -1.26 -1.68 119.74 112.00 1ssd s LYS 130 Ca 0.37 -0.06 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 1ssd s LYS 130 Cb -0.10 -2.20 0.08 0.00 -0.52 0.00 0.00 37.83 35.09 1ssd s LYS 130 CO 0.31 -0.98 1.76 1.25 -0.92 0.00 0.00 175.35 176.77 1ssd h LEU 131 N -0.42 0.76 -1.27 3.17 5.85 -1.98 -1.23 115.31 120.19 1ssd h LEU 131 Ca -0.45 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 1ssd h LEU 131 Cb 1.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1ssd h LEU 131 CO 0.61 0.67 -0.24 -2.24 -0.34 0.00 0.00 178.44 176.90 1ssd h ASP 132 N 0.80 0.18 -0.50 1.25 2.03 -1.99 -0.67 116.42 117.53 1ssd h ASP 132 Ca 0.20 -0.05 -0.10 0.00 -0.73 0.00 0.00 57.03 56.35 1ssd h ASP 132 Cb 0.11 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.54 1ssd h ASP 132 CO -0.03 0.44 -0.09 -0.33 -1.03 0.00 0.00 179.24 178.20 1ssd h GLU 133 N 0.17 0.97 -0.09 4.15 5.08 -1.83 -2.58 114.58 120.44 1ssd h GLU 133 Ca 0.03 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.85 1ssd h GLU 133 Cb 0.53 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ssd h GLU 133 CO 0.04 1.00 -0.78 -0.09 -1.00 0.00 0.00 179.01 178.18 1ssd h ARG 134 N 0.87 0.55 0.00 2.33 2.43 -0.55 -2.56 114.38 117.45 1ssd h ARG 134 Ca 0.14 -0.47 -0.05 0.00 -0.81 0.00 0.00 59.98 58.79 1ssd h ARG 134 Cb 0.63 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1ssd h ARG 134 CO 0.04 1.10 -0.26 1.05 -1.51 0.00 0.00 179.97 180.39 1ssd h GLU 135 N 0.37 0.00 0.00 0.20 4.11 -1.17 -2.57 114.58 115.52 1ssd h GLU 135 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1ssd h GLU 135 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1ssd h GLU 135 CO 0.14 0.26 -0.06 0.00 0.07 0.00 0.00 179.01 179.43 1ssd n ALA 136 N -2.31 2.36 -0.11 1.06 0.00 -0.98 -4.95 120.51 115.59 1ssd n ALA 136 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ssd n ALA 136 Cb 0.38 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.35 0.77 2.10 0.00 0.00 -0.97 -4.97 105.19 103.46 1ssd n GLY 137 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.16 -0.06 -0.61 -5.35 -0.97 -4.56 119.36 108.97 1ssd n ILE 138 Ca 0.00 -2.21 -0.11 0.00 -0.27 0.00 0.00 62.75 60.15 1ssd n ILE 138 Cb 0.00 -1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 36.70 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 0.97 1.22 -0.29 7.28 2.02 -1.88 -2.96 112.91 119.27 1ssd h THR 139 Ca 0.46 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1ssd h THR 139 Cb 1.08 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1ssd h THR 139 CO 1.16 0.22 0.07 -0.33 0.37 0.00 0.00 175.52 177.01 1ssd h GLU 140 N 0.11 0.47 -0.74 6.66 5.08 -1.96 -2.26 114.58 121.94 1ssd h GLU 140 Ca 0.06 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1ssd h GLU 140 Cb 0.31 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1ssd h GLU 140 CO 0.00 0.55 0.48 -0.22 -1.00 0.00 0.00 179.01 178.82 1ssd h LYS 141 N 0.30 0.64 0.07 2.33 3.64 -1.90 -1.28 116.57 120.38 1ssd h LYS 141 Ca 0.09 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1ssd h LYS 141 Cb 0.29 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1ssd h LYS 141 CO 0.00 0.43 -0.56 0.28 -2.27 0.00 0.00 179.45 177.33 1ssd h VAL 142 N 0.66 1.55 -0.04 2.00 2.07 -1.31 -2.39 116.25 118.79 1ssd h VAL 142 Ca 0.33 -2.33 -0.11 0.00 0.82 0.00 0.00 66.70 65.42 1ssd h VAL 142 Cb 0.43 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1ssd h VAL 142 CO -0.12 0.65 -0.48 -0.37 0.02 0.00 0.00 177.57 177.27 1ssd h VAL 143 N -0.44 1.35 -0.20 2.57 -1.51 -1.37 -2.05 116.25 114.59 1ssd h VAL 143 Ca -0.09 -1.68 -0.09 0.00 -1.23 0.00 0.00 66.70 63.61 1ssd h VAL 143 Cb 1.38 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1ssd h VAL 143 CO 0.11 0.49 -0.21 -0.26 -1.23 0.00 0.00 177.57 176.47 1ssd h PHE 144 N 0.08 0.60 -0.94 5.19 0.05 -1.31 -0.88 116.94 119.73 1ssd h PHE 144 Ca 0.00 -0.18 0.09 0.00 3.82 0.00 0.00 57.97 61.70 1ssd h PHE 144 Cb 0.89 -0.13 -0.07 0.00 2.00 0.00 0.00 35.95 38.64 1ssd h PHE 144 CO 0.01 0.86 0.60 1.49 -0.18 0.00 0.00 178.31 181.09 1ssd h GLU 145 N 0.17 0.94 -0.07 1.51 4.81 -1.31 0.09 114.58 120.72 1ssd h GLU 145 Ca 0.03 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1ssd h GLU 145 Cb 0.76 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ssd h GLU 145 CO 0.05 0.62 -0.30 1.96 -0.73 0.00 0.00 179.01 180.62 1ssd h GLN 146 N 0.97 0.33 -0.63 1.92 4.20 -1.19 -2.79 115.11 117.92 1ssd h GLN 146 Ca 0.43 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1ssd h GLN 146 Cb 0.37 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1ssd h GLN 146 CO -0.19 0.90 0.30 1.15 -0.67 0.00 0.00 178.83 180.31 1ssd h THR 147 N -0.15 1.21 -0.39 -0.54 2.02 -0.98 -2.79 112.91 111.29 1ssd h THR 147 Ca -0.02 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 1ssd h THR 147 Cb 0.94 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1ssd h THR 147 CO 0.06 0.25 -0.12 0.50 0.37 0.00 0.00 175.52 176.58 1ssd h LYS 148 N 0.89 0.68 -0.19 6.66 3.64 -0.96 0.97 116.57 128.27 1ssd h LYS 148 Ca 0.22 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1ssd h LYS 148 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1ssd h LYS 148 CO -0.03 0.78 -0.22 0.00 -2.27 0.00 0.00 179.45 177.72 1ssd h ALA 149 N 1.24 1.29 -0.02 5.00 0.00 -1.24 -2.66 119.26 122.88 1ssd h ALA 149 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ssd h ALA 149 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ssd h ALA 149 CO 0.04 0.47 -0.02 0.82 0.00 0.00 0.00 179.25 180.56 1ssd h ILE 150 N 0.30 1.40 -0.52 0.00 2.04 -1.17 -3.36 117.51 116.19 1ssd h ILE 150 Ca 0.05 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1ssd h ILE 150 Cb 0.55 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.76 1ssd h ILE 150 CO 0.04 0.32 0.29 0.00 0.00 0.00 0.00 178.15 178.80 1ssd h ALA 151 N 0.51 0.66 0.00 1.87 0.00 -0.74 -1.49 119.26 120.08 1ssd h ALA 151 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ssd h ALA 151 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ssd h ALA 151 CO 0.01 -0.04 0.29 -0.44 0.00 0.00 0.00 179.25 179.07 1ssd h ASP 152 N 0.56 0.00 0.00 0.00 3.32 -1.62 -2.73 116.42 115.95 1ssd h ASP 152 Ca 0.22 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1ssd h ASP 152 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1ssd h ASP 152 CO -0.13 0.00 -1.44 0.59 -1.72 0.00 0.00 179.24 176.54 1ssd n ASN 153 N -2.23 3.25 -4.65 6.45 3.02 -0.61 -4.98 115.26 115.50 1ssd n ASN 153 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 1ssd n ASN 153 Cb 0.32 0.91 -0.02 0.00 -0.61 0.00 0.00 39.78 40.37 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 -2.30 4.05 0.03 2.41 1.01 -0.89 -4.59 120.40 120.12 1ssd s VAL 154 Ca -0.03 1.24 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 1ssd s VAL 154 Cb 0.03 -3.89 -0.26 0.00 0.00 0.00 0.00 36.38 32.26 1ssd s VAL 154 CO 0.30 -0.21 1.11 0.11 0.00 0.00 0.00 175.10 176.41 1ssd h LYS 155 N 9.01 0.55 -3.69 2.72 1.79 -1.94 -3.47 116.57 121.55 1ssd h LYS 155 Ca -0.30 -0.66 -0.39 0.00 -2.18 0.00 0.00 60.65 57.13 1ssd h LYS 155 Cb 1.12 0.20 -0.36 0.00 -1.58 0.00 0.00 32.23 31.61 1ssd h LYS 155 CO 0.98 1.27 -0.76 0.34 -1.08 0.00 0.00 179.45 180.20 1ssd s ASP 156 N -7.13 0.98 0.00 0.86 -1.08 -1.26 -5.04 116.67 103.99 1ssd s ASP 156 Ca -0.11 -0.04 0.27 0.00 -0.52 0.00 0.00 52.55 52.15 1ssd s ASP 156 Cb 0.05 -0.31 0.85 0.00 -1.46 0.00 0.00 42.92 42.05 1ssd s ASP 156 CO 0.89 -0.15 1.62 0.79 0.52 0.00 0.00 175.17 178.84 1ssd n TRP 157 N 4.63 0.00 0.28 -5.34 7.02 -1.26 -4.38 117.44 118.39 1ssd n TRP 157 Ca -0.16 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.46 1ssd n TRP 157 Cb 0.50 -0.04 0.82 0.00 -2.42 0.00 0.00 31.31 30.17 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 2.13 0.00 -0.50 -0.99 4.64 -1.97 -2.17 113.55 114.69 1ssd h SER 158 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1ssd h SER 158 Cb 0.55 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.50 1ssd h SER 158 CO 0.00 0.07 0.11 0.29 -0.87 0.00 0.00 176.83 176.43 1ssd n LYS 159 N -3.59 2.17 -5.21 4.77 5.02 -1.26 -4.97 118.16 115.08 1ssd n LYS 159 Ca -0.02 -3.11 -0.30 0.00 -2.02 0.00 0.00 58.31 52.86 1ssd n LYS 159 Cb 0.19 -1.92 -0.16 0.00 -0.02 0.00 0.00 35.03 33.12 1ssd n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ssd s VAL 160 N -3.20 1.93 -0.13 -0.18 1.01 -0.82 -1.68 120.40 117.33 1ssd s VAL 160 Ca 0.48 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1ssd s VAL 160 Cb 0.42 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1ssd s VAL 160 CO 0.04 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 1ssd s VAL 161 N -0.42 1.67 0.01 2.92 1.01 -0.12 -4.39 120.40 121.08 1ssd s VAL 161 Ca 0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1ssd s VAL 161 Cb -0.11 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1ssd s VAL 161 CO 0.01 0.48 0.77 -0.76 0.00 0.00 0.00 175.10 175.59 1ssd s LEU 162 N 1.07 4.40 -0.25 3.92 1.43 -0.51 -1.27 118.68 127.47 1ssd s LEU 162 Ca -0.04 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1ssd s LEU 162 Cb -0.14 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.88 1ssd s LEU 162 CO -0.04 -0.06 -0.06 0.00 0.23 0.00 0.00 176.35 176.42 1ssd s ALA 163 N 0.33 2.69 -0.24 4.21 0.00 -0.44 -0.84 121.76 127.47 1ssd s ALA 163 Ca 0.40 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 1ssd s ALA 163 Cb -0.20 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 1ssd s ALA 163 CO 0.22 -0.86 0.71 -0.47 0.00 0.00 0.00 175.76 175.36 1ssd s TYR 164 N 1.31 3.32 -0.34 0.00 5.04 0.42 -1.31 117.35 125.78 1ssd s TYR 164 Ca -0.01 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 55.59 1ssd s TYR 164 Cb -0.17 -2.92 0.13 0.00 0.35 0.00 0.00 41.96 39.36 1ssd s TYR 164 CO -0.04 -0.32 0.20 -1.21 -1.34 0.00 0.00 175.55 172.84 1ssd s GLU 165 N 2.50 0.48 -0.06 4.97 2.02 -0.27 -0.84 118.70 127.49 1ssd s GLU 165 Ca 0.30 -1.15 -0.35 0.00 0.02 0.00 0.00 54.97 53.80 1ssd s GLU 165 Cb -0.16 -1.24 -0.12 0.00 0.10 0.00 0.00 34.13 32.71 1ssd s GLU 165 CO 0.09 -1.17 1.82 -2.30 0.02 0.00 0.00 175.26 173.71 1ssd n PRO 166 N 4.29 2.09 -0.34 0.39 -0.02 -1.26 -4.27 135.00 135.89 1ssd n PRO 166 Ca 0.09 0.77 0.09 0.00 -2.02 0.00 0.00 63.50 62.42 1ssd n PRO 166 Cb 0.38 -2.59 0.26 0.00 -0.02 0.00 0.00 33.50 31.54 1ssd n PRO 166 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ssd h VAL 167 N 5.15 0.79 0.00 -1.45 2.07 -1.60 -1.37 116.25 119.84 1ssd h VAL 167 Ca -0.48 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1ssd h VAL 167 Cb 1.27 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ssd h VAL 167 CO 0.94 0.15 0.00 4.11 0.02 0.00 0.00 177.57 182.78 1ssd h TRP 168 N 0.80 0.00 0.00 1.57 5.08 -1.88 -3.04 115.95 118.48 1ssd h TRP 168 Ca 0.51 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.44 1ssd h TRP 168 Cb 0.68 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.83 1ssd h TRP 168 CO -0.03 0.00 -0.22 0.00 -1.28 0.00 0.00 178.44 176.91 1ssd h ALA 169 N 2.14 0.90 -2.10 0.11 0.00 -1.45 -3.44 119.26 115.42 1ssd h ALA 169 Ca 0.00 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.15 1ssd h ALA 169 Cb 0.71 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ssd h ALA 169 CO 0.00 0.28 1.15 0.42 0.00 0.00 0.00 179.25 181.10 1ssd s ILE 170 N -3.31 3.58 -0.04 0.00 1.01 -1.15 -3.11 121.20 118.18 1ssd s ILE 170 Ca 0.04 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1ssd s ILE 170 Cb 0.08 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1ssd s ILE 170 CO 0.67 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1ssd n GLY 171 N 4.62 0.40 0.00 6.18 0.00 -1.26 -4.93 105.19 110.20 1ssd n GLY 171 Ca 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1ssd n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ssd n THR 172 N -3.28 0.00 -0.22 2.61 -2.24 -1.24 -5.02 114.28 104.89 1ssd n THR 172 Ca -0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ssd n THR 172 Cb 0.16 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1ssd n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ssd n GLY 173 N 0.58 1.95 3.30 3.38 0.00 -1.26 -4.95 105.19 108.18 1ssd n GLY 173 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1ssd n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ssd s TYR 174 N -2.75 3.37 0.53 1.61 4.12 -1.26 -5.03 117.35 117.94 1ssd s TYR 174 Ca 0.00 -1.52 0.02 0.00 0.02 0.00 0.00 57.07 55.60 1ssd s TYR 174 Cb 0.00 -3.76 0.03 0.00 -1.52 0.00 0.00 41.96 36.71 1ssd s TYR 174 CO 0.00 -1.01 0.74 -1.54 0.02 0.00 0.00 175.55 173.77 1ssd s SER 175 N 3.17 5.33 0.46 2.29 1.04 -1.26 -4.37 113.70 120.36 1ssd s SER 175 Ca 0.06 -0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.19 1ssd s SER 175 Cb -0.26 -0.84 -0.07 0.00 0.10 0.00 0.00 66.02 64.95 1ssd s SER 175 CO 0.00 -1.09 1.17 -0.76 0.98 0.00 0.00 173.24 173.55 1ssd s LEU 176 N -4.70 4.01 0.75 2.42 1.43 -1.26 -5.02 118.68 116.30 1ssd s LEU 176 Ca 0.57 2.32 -0.13 0.00 -1.03 0.00 0.00 54.13 55.86 1ssd s LEU 176 Cb -0.10 -4.24 0.05 0.00 0.03 0.00 0.00 46.19 41.92 1ssd s LEU 176 CO 0.38 -0.94 1.14 0.42 0.23 0.00 0.00 176.35 177.58 1ssd s THR 177 N -1.54 2.78 0.25 5.49 -4.23 -1.26 -4.83 115.64 112.30 1ssd s THR 177 Ca 0.64 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.44 1ssd s THR 177 Cb -0.29 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.00 1ssd s THR 177 CO 0.35 -0.26 1.75 -0.65 -0.54 0.00 0.00 174.62 175.27 1ssd h PRO 178 N -0.64 0.51 -0.42 3.99 0.11 -1.95 -1.73 132.00 131.88 1ssd h PRO 178 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1ssd h PRO 178 Cb 1.26 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1ssd h PRO 178 CO 0.50 0.34 0.08 1.96 -0.21 0.00 0.00 178.00 180.67 1ssd h GLN 179 N 0.53 0.62 -0.19 1.05 7.50 -1.95 -1.38 115.11 121.29 1ssd h GLN 179 Ca 0.42 -0.12 -0.13 0.00 0.50 0.00 0.00 58.65 59.32 1ssd h GLN 179 Cb 0.59 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1ssd h GLN 179 CO -0.37 0.59 -0.44 1.96 -1.50 0.00 0.00 178.83 179.07 1ssd h GLN 180 N 0.61 0.47 0.09 1.46 4.20 -1.68 -2.48 115.11 117.77 1ssd h GLN 180 Ca 0.14 -0.25 -0.27 0.00 0.06 0.00 0.00 58.65 58.33 1ssd h GLN 180 Cb 0.26 0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.08 1ssd h GLN 180 CO -0.00 0.82 -1.12 0.00 -0.67 0.00 0.00 178.83 177.86 1ssd h ALA 181 N 1.15 0.01 -0.40 3.87 0.00 -1.11 -3.13 119.26 119.66 1ssd h ALA 181 Ca 0.03 -0.73 0.05 0.00 0.00 0.00 0.00 54.91 54.26 1ssd h ALA 181 Cb 0.92 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1ssd h ALA 181 CO 0.08 0.63 0.12 0.37 0.00 0.00 0.00 179.25 180.45 1ssd h GLN 182 N 0.22 0.26 -0.76 0.00 5.75 -1.29 -2.28 115.11 117.00 1ssd h GLN 182 Ca -0.17 -0.02 0.17 0.00 -0.15 0.00 0.00 58.65 58.49 1ssd h GLN 182 Cb 1.80 -0.06 -0.12 0.00 1.07 0.00 0.00 27.48 30.18 1ssd h GLN 182 CO 0.22 0.17 0.17 1.49 -2.65 0.00 0.00 178.83 178.23 1ssd h GLU 183 N 0.26 0.24 0.12 1.69 4.81 -1.44 -0.82 114.58 119.46 1ssd h GLU 183 Ca 0.19 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.14 1ssd h GLU 183 Cb 0.19 -0.05 0.03 0.00 0.63 0.00 0.00 28.75 29.54 1ssd h GLU 183 CO -0.21 0.16 -1.09 0.28 -0.73 0.00 0.00 179.01 177.42 1ssd h VAL 184 N 0.25 1.35 -0.57 0.32 2.07 -1.41 -2.79 116.25 115.47 1ssd h VAL 184 Ca 0.44 -2.45 -0.05 0.00 0.82 0.00 0.00 66.70 65.46 1ssd h VAL 184 Cb 0.77 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1ssd h VAL 184 CO -0.55 0.73 0.17 0.45 0.02 0.00 0.00 177.57 178.39 1ssd h HIS 185 N 0.07 0.92 -0.26 1.57 3.86 -1.12 0.12 115.15 120.31 1ssd h HIS 185 Ca -0.17 -0.10 0.06 0.00 -1.16 0.00 0.00 60.37 59.00 1ssd h HIS 185 Cb 1.81 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 29.95 1ssd h HIS 185 CO 0.14 0.78 -0.16 1.49 0.86 0.00 0.00 177.93 181.03 1ssd h GLU 186 N 0.80 -0.14 -0.75 2.45 4.81 -1.24 0.34 114.58 120.84 1ssd h GLU 186 Ca 0.18 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1ssd h GLU 186 Cb 0.29 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1ssd h GLU 186 CO -0.00 -0.09 0.27 0.87 -0.73 0.00 0.00 179.01 179.32 1ssd h LYS 187 N -0.14 1.15 -0.44 1.92 1.57 -1.19 -1.91 116.57 117.53 1ssd h LYS 187 Ca 0.14 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1ssd h LYS 187 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1ssd h LYS 187 CO -0.34 0.95 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.37 1ssd h LEU 188 N 1.11 0.80 -1.10 2.94 3.38 -0.12 -1.28 115.31 121.04 1ssd h LEU 188 Ca 0.25 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ssd h LEU 188 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1ssd h LEU 188 CO -0.01 0.95 0.25 -0.09 0.09 0.00 0.00 178.44 179.62 1ssd h ARG 189 N 0.64 0.89 0.00 1.13 2.43 -0.26 -2.27 114.38 116.94 1ssd h ARG 189 Ca 0.12 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ssd h ARG 189 Cb 0.57 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1ssd h ARG 189 CO 0.03 0.72 -0.05 0.78 -1.51 0.00 0.00 179.97 179.95 1ssd h GLY 190 N 0.98 0.00 0.40 2.80 0.00 -0.91 -1.66 103.07 104.68 1ssd h GLY 190 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1ssd h GLY 190 CO -0.02 0.00 -0.10 -0.25 0.00 0.00 0.00 176.54 176.17 1ssd h TRP 191 N 0.00 0.13 -0.75 5.60 7.01 -0.76 -3.17 115.95 124.01 1ssd h TRP 191 Ca -0.00 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 60.97 1ssd h TRP 191 Cb 0.68 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 1ssd h TRP 191 CO 0.00 0.78 0.49 -0.07 -2.79 0.00 0.00 178.44 176.85 1ssd h LEU 192 N -0.56 0.79 0.01 0.65 3.38 -1.24 -0.95 115.31 117.39 1ssd h LEU 192 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ssd h LEU 192 Cb 0.80 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1ssd h LEU 192 CO 0.02 0.55 -0.13 0.50 0.09 0.00 0.00 178.44 179.47 1ssd h LYS 193 N 0.92 -0.21 -0.01 1.13 3.64 -1.36 -1.32 116.57 119.36 1ssd h LYS 193 Ca 0.30 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1ssd h LYS 193 Cb 0.04 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1ssd h LYS 193 CO -0.08 -0.14 -0.51 -1.13 -2.27 0.00 0.00 179.45 175.31 1ssd n SER 194 N -5.26 1.04 -0.00 4.20 3.41 -1.03 -3.46 113.62 112.52 1ssd n SER 194 Ca -0.05 -0.83 0.02 0.00 -0.26 0.00 0.00 58.87 57.75 1ssd n SER 194 Cb 0.18 0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.96 0.00 0.00 7.33 8.25 -0.39 -4.95 115.22 124.50 1ssd n HIS 195 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1ssd n HIS 195 Cb 0.36 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.34 0.00 -3.74 1.59 0.31 -0.55 -5.04 118.33 109.56 1ssd n VAL 196 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1ssd n VAL 196 Cb 0.09 -0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 32.81 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 -0.29 0.39 4.52 1.04 -0.89 -5.00 113.70 114.47 1ssd s SER 197 Ca 0.00 -0.42 0.12 0.00 0.48 0.00 0.00 55.95 56.13 1ssd s SER 197 Cb 0.00 0.62 0.81 0.00 0.10 0.00 0.00 66.02 67.55 1ssd s SER 197 CO 0.00 -1.11 1.89 -0.78 0.98 0.00 0.00 173.24 174.22 1ssd h ASP 198 N 2.00 0.08 -0.13 7.02 1.82 -1.83 -2.78 116.42 122.60 1ssd h ASP 198 Ca -0.23 -0.02 -0.21 0.00 -0.39 0.00 0.00 57.03 56.18 1ssd h ASP 198 Cb 1.25 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 41.25 1ssd h ASP 198 CO 0.26 0.33 -0.73 0.00 -1.61 0.00 0.00 179.24 177.50 1ssd h ALA 199 N 1.68 0.27 -0.14 -0.78 0.00 -1.94 -2.26 119.26 116.08 1ssd h ALA 199 Ca 0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1ssd h ALA 199 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ssd h ALA 199 CO 0.03 0.61 -0.34 0.28 0.00 0.00 0.00 179.25 179.83 1ssd h VAL 200 N 0.43 1.28 -0.31 0.00 2.07 -1.90 -1.96 116.25 115.87 1ssd h VAL 200 Ca -0.05 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 1ssd h VAL 200 Cb 1.37 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1ssd h VAL 200 CO 0.15 0.41 -0.11 0.00 0.02 0.00 0.00 177.57 178.04 1ssd h ALA 201 N 1.40 0.43 0.00 1.67 0.00 -1.44 -2.22 119.26 119.10 1ssd h ALA 201 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1ssd h ALA 201 Cb 0.72 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ssd h ALA 201 CO 0.05 0.29 -0.16 1.96 0.00 0.00 0.00 179.25 181.39 1ssd h GLN 202 N 0.38 0.00 -0.00 0.00 1.08 -1.14 -3.34 115.11 112.09 1ssd h GLN 202 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1ssd h GLN 202 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1ssd h GLN 202 CO 0.04 0.16 -0.12 -1.13 -0.95 0.00 0.00 178.83 176.84 1ssd n SER 203 N -3.30 0.42 -4.72 1.46 3.41 -0.76 -4.61 113.62 105.53 1ssd n SER 203 Ca 0.00 -0.71 -0.39 0.00 -0.26 0.00 0.00 58.87 57.52 1ssd n SER 203 Cb 0.41 0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 65.07 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 -1.07 5.14 -0.03 6.66 2.01 -0.84 -4.90 115.64 122.62 1ssd s THR 204 Ca 0.02 1.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.83 1ssd s THR 204 Cb 0.03 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1ssd s THR 204 CO 0.11 0.29 1.01 -0.13 -0.69 0.00 0.00 174.62 175.22 1ssd s ARG 205 N 0.74 4.51 -0.32 4.92 3.00 -1.26 -4.97 118.95 125.57 1ssd s ARG 205 Ca 0.30 1.45 -0.02 0.00 0.00 0.00 0.00 55.73 57.46 1ssd s ARG 205 Cb -0.16 -3.48 0.06 0.00 0.00 0.00 0.00 34.95 31.37 1ssd s ARG 205 CO 0.13 -0.15 0.03 0.42 0.00 0.00 0.00 175.30 175.73 1ssd s ILE 206 N 1.32 3.00 0.09 1.52 1.01 -1.26 -1.43 121.20 125.45 1ssd s ILE 206 Ca 0.52 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1ssd s ILE 206 Cb -0.21 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1ssd s ILE 206 CO 0.25 -0.21 0.18 0.27 0.00 0.00 0.00 174.94 175.43 1ssd s ILE 207 N 1.22 5.03 -0.13 2.92 -4.36 -0.02 -1.83 121.20 124.02 1ssd s ILE 207 Ca -0.03 -0.62 -0.06 0.00 -0.26 0.00 0.00 60.65 59.68 1ssd s ILE 207 Cb -0.20 -3.48 -0.04 0.00 1.25 0.00 0.00 42.46 39.99 1ssd s ILE 207 CO -0.02 0.07 0.09 -0.47 0.24 0.00 0.00 174.94 174.85 1ssd s TYR 208 N -1.54 3.40 0.15 1.37 6.14 -0.37 -0.44 117.35 126.07 1ssd s TYR 208 Ca 0.33 0.33 0.06 0.00 0.64 0.00 0.00 57.07 58.44 1ssd s TYR 208 Cb -0.12 -1.95 -0.04 0.00 0.42 0.00 0.00 41.96 40.27 1ssd s TYR 208 CO 0.26 0.51 -0.14 0.20 0.64 0.00 0.00 175.55 177.01 1ssd s GLY 209 N -0.57 1.20 0.00 8.97 0.00 -0.02 -1.56 107.32 115.33 1ssd s GLY 209 Ca 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1ssd s GLY 209 CO 0.02 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1ssd n GLY 210 N 0.21 1.13 3.25 0.20 0.00 -1.26 -4.01 105.19 104.71 1ssd n GLY 210 Ca -0.13 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.08 -4.71 1.61 7.64 -1.18 -4.31 113.62 110.59 1ssd n SER 211 Ca 0.00 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 58.90 1ssd n SER 211 Cb 0.00 -4.78 -0.04 0.00 -1.01 0.00 0.00 64.21 58.38 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 -3.33 4.93 0.18 0.44 1.01 -1.26 -4.61 120.40 117.76 1ssd s VAL 212 Ca 0.01 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1ssd s VAL 212 Cb -0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1ssd s VAL 212 CO 0.68 0.17 0.06 0.42 0.00 0.00 0.00 175.10 176.42 1ssd s THR 213 N 1.14 0.36 0.48 3.92 -4.23 -1.26 -4.58 115.64 111.46 1ssd s THR 213 Ca 0.45 -1.96 0.20 0.00 -1.18 0.00 0.00 61.69 59.19 1ssd s THR 213 Cb -0.19 -2.26 0.37 0.00 1.34 0.00 0.00 72.50 71.76 1ssd s THR 213 CO 0.22 -0.30 1.97 1.23 -0.54 0.00 0.00 174.62 177.20 1ssd h GLY 214 N 2.68 0.34 0.90 3.99 0.00 -1.95 -2.09 103.07 106.93 1ssd h GLY 214 Ca -0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1ssd h GLY 214 CO 0.60 0.04 0.09 -1.33 0.00 0.00 0.00 176.54 175.93 1ssd h GLY 215 N 0.21 0.34 -1.94 4.60 0.00 -1.97 -3.36 103.07 100.96 1ssd h GLY 215 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ssd h GLY 215 CO -0.05 0.17 0.00 1.16 0.00 0.00 0.00 176.54 177.82 1ssd n ASN 216 N -4.82 3.10 0.04 0.19 0.23 -0.84 -4.66 115.26 108.50 1ssd n ASN 216 Ca -0.03 -1.92 -0.11 0.00 -0.53 0.00 0.00 54.58 51.99 1ssd n ASN 216 Cb 0.12 -0.15 -0.13 0.00 -2.08 0.00 0.00 39.78 37.54 1ssd n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ssd h LYS 218 N 0.02 0.79 -0.72 0.00 1.57 -1.83 -1.65 116.57 114.76 1ssd h LYS 218 Ca -0.17 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1ssd h LYS 218 Cb 1.92 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 1ssd h LYS 218 CO 0.13 0.52 0.27 0.93 -0.57 0.00 0.00 179.45 180.73 1ssd h GLU 219 N 0.81 1.07 -0.26 3.15 5.08 -1.91 -2.98 114.58 119.55 1ssd h GLU 219 Ca 0.24 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1ssd h GLU 219 Cb -0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1ssd h GLU 219 CO -0.07 0.88 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.36 1ssd h LEU 220 N 1.04 0.62 -0.51 1.33 3.38 -1.50 -3.26 115.31 116.42 1ssd h LEU 220 Ca 0.24 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1ssd h LEU 220 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ssd h LEU 220 CO -0.02 0.94 -0.38 0.00 0.09 0.00 0.00 178.44 179.07 1ssd h ALA 221 N 1.09 0.85 -0.21 1.53 0.00 -1.19 -2.94 119.26 118.39 1ssd h ALA 221 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ssd h ALA 221 Cb 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ssd h ALA 221 CO 0.08 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 1ssd n SER 222 N -3.33 1.34 -4.76 0.00 3.41 -1.14 -4.82 113.62 104.32 1ssd n SER 222 Ca 0.01 -1.85 -0.39 0.00 -0.26 0.00 0.00 58.87 56.37 1ssd n SER 222 Cb 0.59 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.73 4.67 0.37 4.33 -1.52 -1.11 -4.97 119.66 119.71 1ssd s GLN 223 Ca 0.23 1.59 0.05 0.00 -1.95 0.00 0.00 55.36 55.27 1ssd s GLN 223 Cb 0.12 -3.11 0.71 0.00 -0.22 0.00 0.00 33.01 30.51 1ssd s GLN 223 CO 0.17 0.31 1.99 1.25 -0.25 0.00 0.00 175.29 178.76 1ssd h HIS 224 N 3.73 0.62 -0.30 0.91 -0.00 -1.90 -2.87 115.15 115.34 1ssd h HIS 224 Ca -0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1ssd h HIS 224 Cb 1.20 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1ssd h HIS 224 CO 0.60 0.45 0.00 -0.25 -0.00 0.00 0.00 177.93 178.72 1ssd n ASP 225 N -4.41 2.79 -4.55 3.26 10.43 -1.26 -4.87 116.55 117.94 1ssd n ASP 225 Ca 0.04 -1.91 -0.42 0.00 2.57 0.00 0.00 54.79 55.07 1ssd n ASP 225 Cb 0.11 -0.20 -0.08 0.00 1.84 0.00 0.00 41.12 42.79 1ssd n ASP 225 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ssd s VAL 226 N -0.99 5.00 -1.56 2.53 1.01 -1.09 -4.66 120.40 120.64 1ssd s VAL 226 Ca 0.22 0.32 0.19 0.00 0.00 0.00 0.00 61.98 62.71 1ssd s VAL 226 Cb 0.12 -3.99 0.57 0.00 0.00 0.00 0.00 36.38 33.08 1ssd s VAL 226 CO 0.16 -0.25 1.48 0.47 0.00 0.00 0.00 175.10 176.95 1ssd n ASP 227 N 5.79 3.81 0.00 3.32 10.43 -0.76 -4.75 116.55 134.38 1ssd n ASP 227 Ca -0.04 -2.08 0.00 0.00 2.57 0.00 0.00 54.79 55.24 1ssd n ASP 227 Cb 0.49 -0.44 0.00 0.00 1.84 0.00 0.00 41.12 43.01 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 1.25 0.65 3.04 0.44 0.00 -1.26 -1.26 105.19 108.06 1ssd n GLY 228 Ca 0.21 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.53 0.71 -0.30 1.61 0.08 -0.46 -1.23 117.98 115.86 1ssd s PHE 229 Ca 0.00 -0.34 -0.10 0.00 0.12 0.00 0.00 56.93 56.62 1ssd s PHE 229 Cb 0.00 -0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 42.01 1ssd s PHE 229 CO 0.00 -0.04 0.15 -1.17 -0.10 0.00 0.00 175.22 174.06 1ssd s LEU 230 N -1.02 4.06 -0.13 -0.37 2.96 -0.60 -1.47 118.68 122.10 1ssd s LEU 230 Ca -0.04 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1ssd s LEU 230 Cb -0.07 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1ssd s LEU 230 CO 0.00 -0.18 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.12 1ssd s VAL 231 N 1.62 3.83 0.00 1.68 1.01 -0.25 -4.18 120.40 124.11 1ssd s VAL 231 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1ssd s VAL 231 Cb -0.17 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1ssd s VAL 231 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1ssd n GLY 232 N 3.23 -0.06 0.36 4.51 0.00 -1.26 0.36 105.19 112.32 1ssd n GLY 232 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 1.35 2.00 -0.02 0.00 -1.91 -1.94 103.07 102.55 1ssd h GLY 233 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ssd h GLY 233 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 176.54 176.99 1ssd h ALA 234 N 1.36 1.00 0.00 3.60 0.00 -1.89 -2.65 119.26 120.69 1ssd h ALA 234 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ssd h ALA 234 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ssd h ALA 234 CO -0.09 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.82 1ssd h SER 235 N 0.00 0.00 -0.08 0.00 4.64 -1.58 -2.95 113.55 113.58 1ssd h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ssd h SER 235 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ssd h SER 235 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ssd n LEU 236 N -2.94 1.49 -4.32 5.97 4.77 -1.00 -4.87 117.00 116.10 1ssd n LEU 236 Ca 0.00 -0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 55.25 1ssd n LEU 236 Cb 0.25 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1ssd n LEU 236 CO 0.24 0.28 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.63 1ssd s LYS 237 N -1.91 1.26 0.00 3.23 1.02 -1.12 -5.02 119.74 117.20 1ssd s LYS 237 Ca 0.36 -1.57 0.08 0.00 0.02 0.00 0.00 55.97 54.86 1ssd s LYS 237 Cb 0.19 -0.93 0.38 0.00 -0.52 0.00 0.00 37.83 36.95 1ssd s LYS 237 CO 0.30 0.12 1.24 -0.35 -0.92 0.00 0.00 175.35 175.74 1ssd n PRO 238 N -0.34 0.03 0.11 -1.68 -0.04 -1.26 -1.87 135.00 129.95 1ssd n PRO 238 Ca -0.08 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1ssd n PRO 238 Cb 0.61 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 33.03 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 -1.45 0.20 -0.22 0.54 0.28 -1.26 -2.35 120.64 116.38 1ssd n GLU 239 Ca 0.03 0.33 0.18 0.00 -0.16 0.00 0.00 57.16 57.54 1ssd n GLU 239 Cb 0.09 -1.82 0.52 0.00 1.43 0.00 0.00 31.44 31.66 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 0.51 -0.48 -1.84 3.57 -1.32 -1.56 116.94 115.82 1ssd h PHE 240 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1ssd h PHE 240 Cb 0.49 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1ssd h PHE 240 CO 0.00 0.15 0.11 0.28 -2.23 0.00 0.00 178.31 176.62 1ssd h VAL 241 N 0.40 1.24 -0.06 1.41 2.07 -1.70 -2.28 116.25 117.33 1ssd h VAL 241 Ca 0.44 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1ssd h VAL 241 Cb 1.11 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1ssd h VAL 241 CO -0.16 0.30 -0.06 0.44 0.02 0.00 0.00 177.57 178.11 1ssd h ASP 242 N 0.65 0.08 -0.03 0.57 3.32 -1.46 -2.51 116.42 117.04 1ssd h ASP 242 Ca 0.15 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.96 1ssd h ASP 242 Cb 0.33 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1ssd h ASP 242 CO 0.00 0.16 -0.88 0.40 -1.72 0.00 0.00 179.24 177.20 1ssd h ILE 243 N 0.09 1.29 -0.56 0.35 2.04 -1.19 -2.83 117.51 116.70 1ssd h ILE 243 Ca 0.02 -2.11 0.01 0.00 1.00 0.00 0.00 64.86 63.78 1ssd h ILE 243 Cb 0.17 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1ssd h ILE 243 CO 0.01 0.66 0.37 0.40 0.00 0.00 0.00 178.15 179.59 1ssd h ILE 244 N 0.45 1.12 -0.82 -0.67 2.04 -1.14 -2.30 117.51 116.20 1ssd h ILE 244 Ca -0.08 -0.25 -0.43 0.00 1.00 0.00 0.00 64.86 65.10 1ssd h ILE 244 Cb 1.51 0.34 -0.25 0.00 -0.74 0.00 0.00 36.82 37.67 1ssd h ILE 244 CO 0.17 0.13 0.54 0.59 0.00 0.00 0.00 178.15 179.59 1ssd n ASN 245 N -4.46 3.72 0.31 1.72 3.02 -0.97 -4.64 115.26 113.96 1ssd n ASN 245 Ca 0.06 -3.32 0.18 0.00 -0.03 0.00 0.00 54.58 51.47 1ssd n ASN 245 Cb 0.07 -0.78 1.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.20 1.24 -0.85 5.41 0.00 -1.17 -3.22 119.26 121.87 1ssd h ALA 246 Ca 0.52 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.73 1ssd h ALA 246 Cb 2.49 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 20.05 1ssd h ALA 246 CO 0.92 0.02 0.94 1.63 0.00 0.00 0.00 179.25 182.76 1ssd n LYS 247 N -3.45 3.08 0.00 0.00 5.02 -1.26 -4.54 118.16 117.01 1ssd n LYS 247 Ca -0.03 -3.27 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 1ssd n LYS 247 Cb 0.11 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 1ssd n LYS 247 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49