#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssg n PRO 3 N 0.00 1.53 -2.07 0.00 -0.04 -1.26 -4.83 135.00 128.32 1ssg n PRO 3 Ca 0.00 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 1ssg n PRO 3 Cb 0.00 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 1ssg n PRO 3 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ssg s ARG 4 N -0.03 4.19 0.11 0.54 0.52 -1.26 -4.96 118.95 118.06 1ssg s ARG 4 Ca 0.75 2.12 -0.31 0.00 -0.52 0.00 0.00 55.73 57.76 1ssg s ARG 4 Cb -0.80 -3.92 -0.08 0.00 0.52 0.00 0.00 34.95 30.67 1ssg s ARG 4 CO 0.48 -0.81 1.50 0.21 0.02 0.00 0.00 175.30 176.70 1ssg s LYS 5 N 3.83 4.26 0.27 3.54 2.20 -1.26 -4.94 119.74 127.63 1ssg s LYS 5 Ca 0.71 2.21 -0.31 0.00 -0.36 0.00 0.00 55.97 58.22 1ssg s LYS 5 Cb -0.32 -3.32 -0.12 0.00 -1.51 0.00 0.00 37.83 32.55 1ssg s LYS 5 CO 0.28 -0.57 1.50 0.34 -0.36 0.00 0.00 175.35 176.54 1ssg n PHE 6 N 4.44 2.51 -3.80 4.03 -0.00 -1.25 -4.85 117.46 118.53 1ssg n PHE 6 Ca 0.13 0.34 -0.24 0.00 -0.00 0.00 0.00 57.45 57.68 1ssg n PHE 6 Cb 0.41 -2.53 -0.17 0.00 -0.00 0.00 0.00 39.48 37.19 1ssg n PHE 6 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 1ssg s PHE 7 N -0.04 0.89 -0.18 -5.13 2.19 -0.63 -0.82 117.98 114.26 1ssg s PHE 7 Ca 0.66 -0.37 0.01 0.00 0.33 0.00 0.00 56.93 57.56 1ssg s PHE 7 Cb -0.57 -0.92 0.03 0.00 -1.31 0.00 0.00 43.02 40.25 1ssg s PHE 7 CO 0.49 -0.40 -0.14 0.08 1.83 0.00 0.00 175.22 177.08 1ssg s VAL 8 N 1.90 1.76 -0.08 3.12 1.01 -0.25 -1.89 120.40 125.97 1ssg s VAL 8 Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1ssg s VAL 8 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1ssg s VAL 8 CO -0.06 0.34 0.03 -0.83 0.00 0.00 0.00 175.10 174.58 1ssg s GLY 9 N 1.38 1.92 -0.24 4.51 0.00 -0.29 -2.34 107.32 112.26 1ssg s GLY 9 Ca 0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.90 1ssg s GLY 9 CO -0.10 -0.57 -0.02 -0.32 0.00 0.00 0.00 173.10 172.10 1ssg s GLY 10 N -1.03 1.65 -0.39 0.20 0.00 0.01 -0.69 107.32 107.07 1ssg s GLY 10 Ca 0.15 -1.27 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 1ssg s GLY 10 CO 0.04 0.49 0.24 0.21 0.00 0.00 0.00 173.10 174.08 1ssg s ASN 11 N 1.47 5.77 0.33 1.64 2.47 0.95 -0.48 114.94 127.09 1ssg s ASN 11 Ca 0.04 -1.12 0.26 0.00 0.42 0.00 0.00 52.86 52.47 1ssg s ASN 11 Cb -0.15 -2.04 0.82 0.00 -1.45 0.00 0.00 41.25 38.43 1ssg s ASN 11 CO -0.02 -0.44 1.75 -0.50 -3.72 0.00 0.00 177.10 174.17 1ssg h TRP 12 N 8.47 0.00 0.00 0.43 6.55 -1.71 -3.39 115.95 126.30 1ssg h TRP 12 Ca -0.25 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.59 1ssg h TRP 12 Cb 1.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 1ssg h TRP 12 CO 0.58 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.60 1ssg n LYS 13 N -2.59 0.00 -3.17 0.49 5.02 -1.26 -3.77 118.16 112.89 1ssg n LYS 13 Ca 0.04 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 1ssg n LYS 13 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1ssg n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1ssg n MET 14 N 9.01 3.58 -3.73 1.97 1.56 -1.26 -4.33 117.12 123.92 1ssg n MET 14 Ca 0.00 -4.27 -0.12 0.00 -0.27 0.00 0.00 57.70 53.04 1ssg n MET 14 Cb 0.00 -2.70 -0.07 0.00 2.15 0.00 0.00 33.22 32.60 1ssg n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1ssg s ASN 15 N 1.45 -0.18 0.00 6.12 0.01 -1.25 -5.14 114.94 115.95 1ssg s ASN 15 Ca 0.35 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 1ssg s ASN 15 Cb -0.06 0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.97 1ssg s ASN 15 CO -0.04 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.56 1ssg n GLY 16 N 0.67 -0.08 2.56 0.66 0.00 -1.26 -4.82 105.19 102.92 1ssg n GLY 16 Ca -0.19 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.01 1ssg n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ssg n ASP 17 N -0.82 1.75 0.08 1.61 5.68 -1.26 -4.95 116.55 118.64 1ssg n ASP 17 Ca 0.00 -2.62 0.08 0.00 -0.50 0.00 0.00 54.79 51.74 1ssg n ASP 17 Cb 0.00 0.61 0.53 0.00 -1.14 0.00 0.00 41.12 41.12 1ssg n ASP 17 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1ssg h LYS 18 N 0.00 0.28 0.15 0.11 1.57 -1.98 0.34 116.57 117.04 1ssg h LYS 18 Ca -0.26 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.19 1ssg h LYS 18 Cb 0.92 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1ssg h LYS 18 CO 0.42 0.19 -1.49 -0.22 -0.57 0.00 0.00 179.45 177.78 1ssg h LYS 19 N 0.29 0.31 0.06 3.15 3.64 -1.98 -1.68 116.57 120.36 1ssg h LYS 19 Ca 0.12 -0.52 -0.27 0.00 -1.27 0.00 0.00 60.65 58.71 1ssg h LYS 19 Cb 0.13 0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1ssg h LYS 19 CO -0.03 1.20 -1.09 0.66 -2.27 0.00 0.00 179.45 177.93 1ssg h SER 20 N 0.08 0.85 0.32 4.20 4.64 -1.63 -2.49 113.55 119.53 1ssg h SER 20 Ca -0.23 -0.79 -0.16 0.00 -0.47 0.00 0.00 61.79 60.15 1ssg h SER 20 Cb 2.04 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.85 1ssg h SER 20 CO 0.19 1.54 -0.64 -0.07 -0.87 0.00 0.00 176.83 176.98 1ssg h LEU 21 N 0.27 0.34 -1.05 5.97 4.07 -1.12 -1.63 115.31 122.16 1ssg h LEU 21 Ca -0.15 -0.20 0.02 0.00 0.08 0.00 0.00 57.88 57.62 1ssg h LEU 21 Cb 1.76 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 43.35 1ssg h LEU 21 CO 0.21 0.89 0.64 1.23 -1.08 0.00 0.00 178.44 180.33 1ssg h GLY 22 N 1.42 1.38 1.25 0.83 0.00 -1.23 -0.69 103.07 106.02 1ssg h GLY 22 Ca -0.01 -0.50 -0.19 0.00 0.00 0.00 0.00 47.33 46.63 1ssg h GLY 22 CO 0.10 0.47 -0.61 0.83 0.00 0.00 0.00 176.54 177.32 1ssg h GLU 23 N 1.28 0.78 0.42 4.80 5.08 -1.27 -1.84 114.58 123.83 1ssg h GLU 23 Ca 0.37 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1ssg h GLU 23 Cb -0.09 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ssg h GLU 23 CO -0.09 1.16 -0.20 1.25 -1.00 0.00 0.00 179.01 180.12 1ssg h LEU 24 N 0.58 -0.48 -1.28 1.33 6.46 -1.06 -2.29 115.31 118.57 1ssg h LEU 24 Ca -0.01 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1ssg h LEU 24 Cb 1.22 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.22 1ssg h LEU 24 CO 0.13 -0.34 0.53 0.40 -0.62 0.00 0.00 178.44 178.55 1ssg h ILE 25 N -0.58 1.01 -0.37 4.05 2.04 -1.18 -2.21 117.51 120.28 1ssg h ILE 25 Ca -0.06 -0.29 -0.13 0.00 1.00 0.00 0.00 64.86 65.39 1ssg h ILE 25 Cb 0.44 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1ssg h ILE 25 CO 0.09 0.15 -0.26 -0.74 0.00 0.00 0.00 178.15 177.40 1ssg h HIS 26 N 0.84 0.97 0.25 1.37 2.76 -1.05 -0.95 115.15 119.34 1ssg h HIS 26 Ca 0.36 -0.26 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1ssg h HIS 26 Cb 0.31 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1ssg h HIS 26 CO -0.00 1.04 -0.18 1.15 -1.30 0.00 0.00 177.93 178.64 1ssg h THR 27 N 0.62 0.62 -0.72 6.26 2.02 -1.16 -2.88 112.91 117.67 1ssg h THR 27 Ca 0.07 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.36 1ssg h THR 27 Cb 0.83 0.62 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 1ssg h THR 27 CO 0.07 0.00 0.34 -0.07 0.37 0.00 0.00 175.52 176.23 1ssg h LEU 28 N -0.43 0.41 -1.97 2.58 3.38 -1.31 -0.34 115.31 117.64 1ssg h LEU 28 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ssg h LEU 28 Cb 0.37 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ssg h LEU 28 CO 0.00 0.22 -0.05 0.78 0.09 0.00 0.00 178.44 179.48 1ssg h ASN 29 N 0.56 0.00 0.02 -0.43 2.35 -1.08 -2.78 115.58 114.22 1ssg h ASN 29 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1ssg h ASN 29 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1ssg h ASN 29 CO -0.30 0.05 -0.96 0.61 -1.65 0.00 0.00 177.43 175.17 1ssg n GLY 30 N -1.34 -0.97 3.77 2.83 0.00 -0.67 -4.99 105.19 103.81 1ssg n GLY 30 Ca -0.03 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 1ssg n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssg s ALA 31 N -2.98 3.27 -0.27 4.61 0.00 -0.22 -4.96 121.76 121.20 1ssg s ALA 31 Ca 0.08 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 1ssg s ALA 31 Cb 0.16 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1ssg s ALA 31 CO 0.85 -0.77 1.53 0.15 0.00 0.00 0.00 175.76 177.53 1ssg s LYS 32 N -2.20 3.76 0.04 0.00 1.02 -1.26 -5.00 119.74 116.09 1ssg s LYS 32 Ca 0.56 1.45 0.06 0.00 0.02 0.00 0.00 55.97 58.07 1ssg s LYS 32 Cb -0.37 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 32.90 1ssg s LYS 32 CO 0.48 -1.34 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.89 1ssg s LEU 33 N 5.18 2.15 0.16 3.17 1.43 -1.26 -4.99 118.68 124.52 1ssg s LEU 33 Ca 0.67 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 53.00 1ssg s LEU 33 Cb -0.21 -0.82 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 1ssg s LEU 33 CO 0.28 0.12 1.26 -0.94 0.23 0.00 0.00 176.35 177.31 1ssg s SER 34 N -1.07 6.98 0.50 2.29 1.04 -1.26 -4.90 113.70 117.28 1ssg s SER 34 Ca 0.05 2.27 0.21 0.00 0.48 0.00 0.00 55.95 58.96 1ssg s SER 34 Cb -0.08 -2.60 1.28 0.00 0.10 0.00 0.00 66.02 64.72 1ssg s SER 34 CO 0.01 -0.48 2.06 0.00 0.98 0.00 0.00 173.24 175.81 1ssg h ALA 35 N 5.78 1.52 -1.50 5.32 0.00 -1.99 -2.72 119.26 125.68 1ssg h ALA 35 Ca -0.44 -0.12 0.47 0.00 0.00 0.00 0.00 54.91 54.82 1ssg h ALA 35 Cb 1.21 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1ssg h ALA 35 CO 0.78 0.17 1.01 -0.44 0.00 0.00 0.00 179.25 180.77 1ssg h ASP 36 N 0.00 0.15 -3.25 0.00 3.45 -1.97 -3.42 116.42 111.39 1ssg h ASP 36 Ca -0.00 0.09 -0.59 0.00 0.43 0.00 0.00 57.03 56.96 1ssg h ASP 36 Cb 0.28 0.08 -0.09 0.00 -0.56 0.00 0.00 39.33 39.04 1ssg h ASP 36 CO 0.02 -0.12 -0.25 -0.89 -1.57 0.00 0.00 179.24 176.43 1ssg s THR 37 N -5.15 5.23 -0.45 0.35 2.01 -1.03 -3.95 115.64 112.67 1ssg s THR 37 Ca -0.07 0.72 -0.20 0.00 0.31 0.00 0.00 61.69 62.45 1ssg s THR 37 Cb 0.28 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1ssg s THR 37 CO 0.84 0.40 0.63 -0.70 -0.69 0.00 0.00 174.62 175.10 1ssg s GLU 38 N 0.28 3.24 -0.10 4.92 2.12 0.00 -4.96 118.70 124.20 1ssg s GLU 38 Ca 0.21 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 55.04 1ssg s GLU 38 Cb -0.14 -3.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.24 1ssg s GLU 38 CO 0.07 -1.03 0.03 0.08 -0.54 0.00 0.00 175.26 173.87 1ssg s VAL 39 N 2.76 4.54 -0.02 3.70 1.01 -1.26 -1.10 120.40 130.03 1ssg s VAL 39 Ca 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1ssg s VAL 39 Cb -0.15 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.32 1ssg s VAL 39 CO 0.18 0.60 0.05 -0.69 0.00 0.00 0.00 175.10 175.24 1ssg s VAL 40 N -0.81 -0.03 -0.16 2.92 1.01 -0.99 -1.20 120.40 121.14 1ssg s VAL 40 Ca 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 1ssg s VAL 40 Cb -0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 1ssg s VAL 40 CO 0.02 0.04 -0.14 0.00 0.00 0.00 0.00 175.10 175.03 1ssg s GLY 42 N 0.87 1.66 0.05 0.00 0.00 0.37 -0.32 107.32 109.96 1ssg s GLY 42 Ca -0.04 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.17 1ssg s GLY 42 CO -0.01 1.65 0.21 0.00 0.00 0.00 0.00 173.10 174.96 1ssg s ALA 43 N 3.04 4.00 0.36 3.20 0.00 -0.69 -2.22 121.76 129.45 1ssg s ALA 43 Ca 0.21 -0.82 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 1ssg s ALA 43 Cb -0.16 -1.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.99 1ssg s ALA 43 CO 0.15 0.82 1.02 -2.30 0.00 0.00 0.00 175.76 175.45 1ssg n PRO 44 N 0.37 1.41 -0.20 0.00 -0.02 -1.26 -4.04 135.00 131.26 1ssg n PRO 44 Ca -0.06 0.50 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1ssg n PRO 44 Cb 0.51 -1.97 0.10 0.00 -0.02 0.00 0.00 33.50 32.13 1ssg n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ssg h SER 45 N 1.82 -0.11 0.00 2.55 4.64 -1.95 0.17 113.55 120.66 1ssg h SER 45 Ca -0.42 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ssg h SER 45 Cb 1.33 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1ssg h SER 45 CO 0.59 -0.04 0.07 -0.29 -0.87 0.00 0.00 176.83 176.28 1ssg h ILE 46 N 0.19 0.00 -0.05 0.95 2.10 -2.03 -1.80 117.51 116.86 1ssg h ILE 46 Ca 0.31 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.25 1ssg h ILE 46 Cb 0.49 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1ssg h ILE 46 CO -0.45 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.40 1ssg n TYR 47 N -2.39 0.08 -0.20 2.19 4.02 0.01 -4.82 117.16 116.05 1ssg n TYR 47 Ca -0.02 -0.56 -0.07 0.00 -0.01 0.00 0.00 57.90 57.25 1ssg n TYR 47 Cb 0.11 -0.06 0.03 0.00 -0.02 0.00 0.00 39.34 39.39 1ssg n TYR 47 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1ssg h LEU 48 N 0.32 0.68 -0.42 7.72 3.38 -0.90 0.92 115.31 127.01 1ssg h LEU 48 Ca 0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1ssg h LEU 48 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1ssg h LEU 48 CO 0.00 0.52 0.05 -0.78 0.09 0.00 0.00 178.44 178.33 1ssg h ASP 49 N 0.77 0.68 -0.18 -0.43 -0.00 -1.85 -1.69 116.42 113.72 1ssg h ASP 49 Ca 0.21 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1ssg h ASP 49 Cb -0.04 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.10 1ssg h ASP 49 CO -0.04 0.78 0.10 0.15 -0.00 0.00 0.00 179.24 180.22 1ssg h PHE 50 N 0.55 0.25 -0.59 0.28 3.04 -1.84 -1.89 116.94 116.74 1ssg h PHE 50 Ca 0.13 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1ssg h PHE 50 Cb 0.40 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1ssg h PHE 50 CO 0.03 0.25 0.38 0.00 -2.02 0.00 0.00 178.31 176.95 1ssg h ALA 51 N 0.98 0.75 -0.55 2.41 0.00 -0.67 -2.14 119.26 120.05 1ssg h ALA 51 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ssg h ALA 51 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ssg h ALA 51 CO -0.01 0.20 -0.01 -0.09 0.00 0.00 0.00 179.25 179.34 1ssg h ARG 52 N 0.80 0.95 -0.56 0.00 9.65 -1.28 -0.11 114.38 123.82 1ssg h ARG 52 Ca 0.22 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1ssg h ARG 52 Cb -0.07 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 1ssg h ARG 52 CO -0.04 0.94 0.35 1.96 2.80 0.00 0.00 179.97 185.98 1ssg h GLN 53 N 0.87 0.75 0.14 0.20 4.20 -0.87 -3.34 115.11 117.07 1ssg h GLN 53 Ca 0.16 -0.06 -0.36 0.00 0.06 0.00 0.00 58.65 58.45 1ssg h GLN 53 Cb 0.53 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1ssg h GLN 53 CO 0.03 0.53 -1.91 0.87 -0.67 0.00 0.00 178.83 177.67 1ssg h LYS 54 N 0.76 0.30 -6.99 1.46 1.79 -1.18 -3.47 116.57 109.24 1ssg h LYS 54 Ca 0.20 -0.51 -0.55 0.00 -2.18 0.00 0.00 60.65 57.62 1ssg h LYS 54 Cb -0.05 0.19 0.13 0.00 -1.58 0.00 0.00 32.23 30.92 1ssg h LYS 54 CO -0.04 1.23 0.67 1.28 -1.08 0.00 0.00 179.45 181.50 1ssg n LEU 55 N -3.50 5.15 -4.65 2.94 4.77 -0.07 -4.95 117.00 116.69 1ssg n LEU 55 Ca -0.29 1.09 -0.43 0.00 -0.03 0.00 0.00 56.01 56.35 1ssg n LEU 55 Cb 1.06 -1.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1ssg n LEU 55 CO 0.46 -0.28 0.75 -0.67 -1.33 0.00 0.00 177.39 176.32 1ssg n ASP 56 N -0.35 2.10 0.21 -1.43 2.03 -1.26 -4.86 116.55 112.99 1ssg n ASP 56 Ca 0.06 1.18 0.15 0.00 0.52 0.00 0.00 54.79 56.71 1ssg n ASP 56 Cb 0.42 -1.40 0.80 0.00 -0.72 0.00 0.00 41.12 40.21 1ssg n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssg h ALA 57 N 2.24 1.86 0.00 -1.67 0.00 -1.92 -0.52 119.26 119.25 1ssg h ALA 57 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ssg h ALA 57 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ssg h ALA 57 CO 0.61 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 181.28 1ssg n LYS 58 N -4.02 0.29 -4.46 0.00 5.02 -1.26 -4.64 118.16 109.09 1ssg n LYS 58 Ca 0.01 0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 1ssg n LYS 58 Cb 0.26 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 1ssg n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ssg s ILE 59 N -2.62 3.86 0.59 -0.18 1.01 -0.20 -4.75 121.20 118.90 1ssg s ILE 59 Ca 0.21 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1ssg s ILE 59 Cb 0.15 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1ssg s ILE 59 CO 0.36 0.53 0.91 -0.83 0.00 0.00 0.00 174.94 175.90 1ssg s GLY 60 N 0.02 1.60 -0.06 6.18 0.00 -0.34 -4.78 107.32 109.94 1ssg s GLY 60 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1ssg s GLY 60 CO 0.03 -0.36 -0.11 0.14 0.00 0.00 0.00 173.10 172.80 1ssg s VAL 61 N -3.00 1.04 -0.02 1.40 1.01 -1.26 -0.82 120.40 118.74 1ssg s VAL 61 Ca 0.54 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1ssg s VAL 61 Cb -0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1ssg s VAL 61 CO 0.46 0.33 -0.24 0.00 0.00 0.00 0.00 175.10 175.64 1ssg s ALA 62 N 0.57 2.04 0.46 5.51 0.00 0.57 -2.39 121.76 128.52 1ssg s ALA 62 Ca -0.12 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 1ssg s ALA 62 Cb -0.14 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 1ssg s ALA 62 CO 0.03 0.49 1.12 0.00 0.00 0.00 0.00 175.76 177.39 1ssg s ALA 63 N -0.53 2.96 -1.18 0.00 0.00 -0.35 -1.70 121.76 120.95 1ssg s ALA 63 Ca 0.08 0.82 0.29 0.00 0.00 0.00 0.00 51.96 53.15 1ssg s ALA 63 Cb -0.10 -3.34 1.19 0.00 0.00 0.00 0.00 23.12 20.88 1ssg s ALA 63 CO -0.00 -0.52 1.87 1.04 0.00 0.00 0.00 175.76 178.15 1ssg n GLN 64 N -0.54 0.19 -3.59 0.00 6.02 -1.26 -0.72 117.38 117.49 1ssg n GLN 64 Ca 0.07 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 56.98 1ssg n GLN 64 Cb 0.49 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 1ssg n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ssg s ASN 65 N -2.83 -0.16 0.39 1.08 2.47 -1.20 -4.59 114.94 110.10 1ssg s ASN 65 Ca 0.19 0.02 -0.13 0.00 0.42 0.00 0.00 52.86 53.36 1ssg s ASN 65 Cb 0.19 0.16 0.05 0.00 -1.45 0.00 0.00 41.25 40.20 1ssg s ASN 65 CO 0.53 -0.26 0.74 0.00 -3.72 0.00 0.00 177.10 174.39 1ssg n TYR 67 N -0.55 -0.87 -0.41 0.00 9.36 -0.53 -4.98 117.16 119.19 1ssg n TYR 67 Ca -0.07 -1.98 0.10 0.00 3.32 0.00 0.00 57.90 59.27 1ssg n TYR 67 Cb 0.60 -0.39 0.29 0.00 -0.63 0.00 0.00 39.34 39.21 1ssg n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1ssg n LYS 68 N -1.65 3.01 -3.93 2.98 2.85 -1.26 -4.56 118.16 115.60 1ssg n LYS 68 Ca -0.00 -2.57 -0.09 0.00 -1.05 0.00 0.00 58.31 54.59 1ssg n LYS 68 Cb 0.53 -1.58 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 1ssg n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1ssg s VAL 69 N -1.27 0.14 0.34 0.58 -7.23 -1.26 -4.82 120.40 106.87 1ssg s VAL 69 Ca 0.43 -1.12 0.11 0.00 -1.81 0.00 0.00 61.98 59.59 1ssg s VAL 69 Cb 0.24 -0.94 0.06 0.00 0.56 0.00 0.00 36.38 36.30 1ssg s VAL 69 CO 0.26 -0.62 1.77 -0.65 -0.31 0.00 0.00 175.10 175.55 1ssg h PRO 70 N 3.59 0.05 -3.03 4.82 0.11 -1.98 -3.44 132.00 132.12 1ssg h PRO 70 Ca -0.33 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.79 1ssg h PRO 70 Cb 1.18 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1ssg h PRO 70 CO 0.51 0.46 0.21 -1.59 -0.21 0.00 0.00 178.00 177.37 1ssg s LYS 71 N -4.10 1.57 0.00 1.05 -2.85 -1.26 -4.71 119.74 109.44 1ssg s LYS 71 Ca -0.03 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1ssg s LYS 71 Cb 0.14 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.50 1ssg s LYS 71 CO 0.74 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.90 1ssg n GLY 72 N -0.42 2.15 3.37 0.59 0.00 -1.26 -4.99 105.19 104.63 1ssg n GLY 72 Ca -0.09 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 1ssg n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssg n ALA 73 N -1.49 2.05 -3.20 4.61 0.00 -1.26 -4.64 120.51 116.59 1ssg n ALA 73 Ca 0.00 -2.99 -0.23 0.00 0.00 0.00 0.00 53.44 50.21 1ssg n ALA 73 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 19.45 15.81 1ssg n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ssg n PHE 74 N 11.29 -0.04 -1.60 0.00 3.72 -1.26 -5.11 117.46 124.45 1ssg n PHE 74 Ca 0.47 -3.63 -0.55 0.00 -0.05 0.00 0.00 57.45 53.69 1ssg n PHE 74 Cb 0.43 -0.37 -0.07 0.00 -0.94 0.00 0.00 39.48 38.53 1ssg n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ssg n THR 75 N 1.23 0.05 0.00 4.37 -1.04 -1.26 -1.97 114.28 115.66 1ssg n THR 75 Ca 0.22 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1ssg n THR 75 Cb 0.54 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1ssg n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssg n GLY 76 N 2.66 1.42 3.94 3.41 0.00 -1.26 -5.06 105.19 110.30 1ssg n GLY 76 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1ssg n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssg s GLU 77 N -0.98 3.44 0.22 1.61 0.41 -0.83 -5.13 118.70 117.45 1ssg s GLU 77 Ca 0.00 -0.56 0.10 0.00 -0.41 0.00 0.00 54.97 54.10 1ssg s GLU 77 Cb 0.00 -2.98 -0.05 0.00 -1.78 0.00 0.00 34.13 29.32 1ssg s GLU 77 CO 0.00 0.54 -0.20 0.96 -0.49 0.00 0.00 175.26 176.07 1ssg s ILE 78 N -1.69 2.19 0.25 -1.63 -4.36 -1.26 -5.03 121.20 109.68 1ssg s ILE 78 Ca 0.35 -2.18 0.11 0.00 -0.26 0.00 0.00 60.65 58.66 1ssg s ILE 78 Cb -0.11 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 1ssg s ILE 78 CO 0.28 -0.34 -0.14 -0.94 0.24 0.00 0.00 174.94 174.04 1ssg s SER 79 N -3.09 3.90 0.45 4.36 1.04 -1.26 -1.45 113.70 117.65 1ssg s SER 79 Ca 0.24 -0.85 0.21 0.00 0.48 0.00 0.00 55.95 56.02 1ssg s SER 79 Cb -0.05 -0.49 1.18 0.00 0.10 0.00 0.00 66.02 66.76 1ssg s SER 79 CO 0.11 0.05 1.87 -0.65 0.98 0.00 0.00 173.24 175.59 1ssg h PRO 80 N 2.37 0.29 -0.73 4.02 0.11 -1.84 0.51 132.00 136.73 1ssg h PRO 80 Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1ssg h PRO 80 Cb 1.24 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1ssg h PRO 80 CO 0.58 0.20 0.41 0.00 -0.21 0.00 0.00 178.00 178.98 1ssg h ALA 81 N 1.61 1.36 -0.11 -0.75 0.00 -1.91 0.25 119.26 119.71 1ssg h ALA 81 Ca 0.45 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1ssg h ALA 81 Cb 1.28 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ssg h ALA 81 CO -0.14 0.53 -0.59 0.52 0.00 0.00 0.00 179.25 179.57 1ssg h MET 82 N 1.01 0.60 -0.37 0.00 2.86 -1.27 -1.45 114.93 116.32 1ssg h MET 82 Ca 0.26 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1ssg h MET 82 Cb -0.00 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1ssg h MET 82 CO -0.05 1.12 0.20 0.82 1.06 0.00 0.00 176.91 180.06 1ssg h ILE 83 N 0.24 1.01 -0.69 -1.22 2.04 -0.68 -0.45 117.51 117.75 1ssg h ILE 83 Ca -0.04 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1ssg h ILE 83 Cb 1.24 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 1ssg h ILE 83 CO 0.12 0.07 0.34 0.11 0.00 0.00 0.00 178.15 178.79 1ssg h LYS 84 N 0.41 0.56 -0.06 2.37 1.57 -0.97 -2.66 116.57 117.79 1ssg h LYS 84 Ca 0.15 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1ssg h LYS 84 Cb 0.04 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1ssg h LYS 84 CO -0.09 0.37 0.05 0.22 -0.57 0.00 0.00 179.45 179.43 1ssg h ASP 85 N 0.58 0.00 -0.48 0.86 3.58 0.05 0.30 116.42 121.31 1ssg h ASP 85 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1ssg h ASP 85 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1ssg h ASP 85 CO -0.27 0.00 0.00 2.30 -2.88 0.00 0.00 179.24 178.39 1ssg n ILE 86 N -4.08 1.96 -0.71 2.25 -6.64 -0.97 -4.99 119.36 106.18 1ssg n ILE 86 Ca -0.02 -1.39 0.00 0.00 -1.77 0.00 0.00 62.75 59.57 1ssg n ILE 86 Cb 0.15 0.03 0.00 0.00 -1.44 0.00 0.00 39.64 38.38 1ssg n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1ssg n GLY 87 N 0.48 0.64 3.89 3.28 0.00 0.09 -4.74 105.19 108.84 1ssg n GLY 87 Ca 0.22 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1ssg n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssg s ALA 88 N -2.00 3.45 -0.04 4.61 0.00 -1.02 -4.95 121.76 121.82 1ssg s ALA 88 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1ssg s ALA 88 Cb 0.00 -2.55 0.08 0.00 0.00 0.00 0.00 23.12 20.64 1ssg s ALA 88 CO 0.00 0.04 0.95 0.00 0.00 0.00 0.00 175.76 176.75 1ssg n ALA 89 N -1.28 1.88 -2.75 0.00 0.00 -1.17 -3.95 120.51 113.25 1ssg n ALA 89 Ca 0.01 -1.35 -0.12 0.00 0.00 0.00 0.00 53.44 51.98 1ssg n ALA 89 Cb 0.54 -0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 1ssg n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ssg s TRP 90 N -1.20 0.61 -0.00 0.00 0.52 -1.01 -0.00 118.94 117.86 1ssg s TRP 90 Ca 0.09 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.61 1ssg s TRP 90 Cb 0.08 -0.38 0.01 0.00 -1.15 0.00 0.00 33.47 32.03 1ssg s TRP 90 CO 0.01 -0.13 0.01 0.54 0.02 0.00 0.00 176.95 177.39 1ssg s VAL 91 N -1.85 -0.01 -0.23 4.03 0.11 -0.21 -1.21 120.40 121.03 1ssg s VAL 91 Ca -0.07 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 1ssg s VAL 91 Cb -0.07 -0.03 -0.02 0.00 -1.53 0.00 0.00 36.38 34.74 1ssg s VAL 91 CO -0.01 0.02 0.66 -0.63 -3.33 0.00 0.00 175.10 171.81 1ssg s ILE 92 N 0.24 4.97 0.11 7.04 1.01 0.10 -1.13 121.20 133.54 1ssg s ILE 92 Ca -0.02 1.23 0.08 0.00 0.00 0.00 0.00 60.65 61.94 1ssg s ILE 92 Cb -0.03 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1ssg s ILE 92 CO -0.01 0.04 -0.20 -0.76 0.00 0.00 0.00 174.94 174.01 1ssg s LEU 93 N 2.35 2.32 -1.05 2.97 1.43 -0.63 -3.22 118.68 122.85 1ssg s LEU 93 Ca 0.29 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ssg s LEU 93 Cb -0.16 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.21 1ssg s LEU 93 CO 0.09 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1ssg n GLY 94 N 0.98 1.10 3.55 -3.19 0.00 -1.26 -1.17 105.19 105.20 1ssg n GLY 94 Ca -0.19 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1ssg n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ssg n HIS 95 N -2.59 0.00 -0.35 1.61 -0.00 -1.26 -4.33 115.22 108.30 1ssg n HIS 95 Ca -0.10 0.38 0.02 0.00 0.46 0.00 0.00 57.72 58.48 1ssg n HIS 95 Cb 0.39 -2.01 0.18 0.00 -0.12 0.00 0.00 29.99 28.43 1ssg n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ssg h SER 96 N -0.31 1.02 -0.14 0.26 0.87 -1.93 -1.91 113.55 111.42 1ssg h SER 96 Ca -0.46 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.98 1ssg h SER 96 Cb 1.34 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1ssg h SER 96 CO 0.45 0.68 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.82 1ssg h GLU 97 N 1.17 0.61 0.05 2.24 5.08 -1.97 -1.24 114.58 120.51 1ssg h GLU 97 Ca 0.40 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1ssg h GLU 97 Cb 0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ssg h GLU 97 CO -0.14 0.82 -0.04 0.00 -1.00 0.00 0.00 179.01 178.65 1ssg h ARG 98 N 0.53 -0.10 -0.45 2.33 2.47 -1.72 -0.89 114.38 116.56 1ssg h ARG 98 Ca 0.07 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1ssg h ARG 98 Cb 0.75 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.07 1ssg h ARG 98 CO 0.06 -0.07 0.27 0.00 0.56 0.00 0.00 179.97 180.80 1ssg h ARG 99 N -0.10 0.61 0.00 0.04 3.08 -0.96 -1.77 114.38 115.28 1ssg h ARG 99 Ca 0.00 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.78 1ssg h ARG 99 Cb 0.10 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1ssg h ARG 99 CO -0.01 0.45 -1.81 0.72 -1.07 0.00 0.00 179.97 178.25 1ssg n HIS 100 N -4.73 0.00 0.03 3.04 8.25 -0.51 -2.42 115.22 118.88 1ssg n HIS 100 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 1ssg n HIS 100 Cb 0.05 -0.56 -0.13 0.00 1.12 0.00 0.00 29.99 30.46 1ssg n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ssg h VAL 101 N 0.00 1.51 -0.37 1.59 2.07 -1.34 -3.39 116.25 116.32 1ssg h VAL 101 Ca -0.32 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.83 1ssg h VAL 101 Cb 1.60 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 34.41 1ssg h VAL 101 CO -0.02 0.67 0.00 0.49 0.02 0.00 0.00 177.57 178.73 1ssg n PHE 102 N -4.20 1.16 -2.27 1.57 3.72 -1.02 -4.99 117.46 111.43 1ssg n PHE 102 Ca -0.12 -0.77 -0.16 0.00 -0.05 0.00 0.00 57.45 56.34 1ssg n PHE 102 Cb 0.74 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.96 1ssg n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ssg n GLY 103 N 0.01 -0.16 3.70 1.37 0.00 -1.01 -4.89 105.19 104.21 1ssg n GLY 103 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ssg n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ssg s GLU 104 N -4.77 4.37 0.48 1.61 2.02 -0.70 -4.98 118.70 116.74 1ssg s GLU 104 Ca 0.00 1.77 -0.09 0.00 0.02 0.00 0.00 54.97 56.67 1ssg s GLU 104 Cb 0.00 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 1ssg s GLU 104 CO 0.00 -0.40 0.84 -1.54 0.02 0.00 0.00 175.26 174.17 1ssg s SER 105 N 1.40 6.37 0.29 -0.19 1.04 -1.26 -4.35 113.70 117.00 1ssg s SER 105 Ca 0.59 1.13 0.03 0.00 0.48 0.00 0.00 55.95 58.17 1ssg s SER 105 Cb -0.28 -2.33 0.62 0.00 0.10 0.00 0.00 66.02 64.13 1ssg s SER 105 CO 0.25 -0.56 1.79 0.44 0.98 0.00 0.00 173.24 176.14 1ssg h ASP 106 N 0.55 0.78 -0.27 7.02 3.32 -1.98 -1.08 116.42 124.76 1ssg h ASP 106 Ca -0.46 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 1ssg h ASP 106 Cb 1.19 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1ssg h ASP 106 CO 0.62 0.34 -0.29 -0.08 -1.72 0.00 0.00 179.24 178.12 1ssg h GLU 107 N 0.82 0.77 -0.06 3.56 4.81 -1.94 -2.16 114.58 120.37 1ssg h GLU 107 Ca 0.52 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1ssg h GLU 107 Cb 0.69 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1ssg h GLU 107 CO -0.33 0.97 -0.16 1.25 -0.73 0.00 0.00 179.01 180.01 1ssg h LEU 108 N 0.66 0.25 -0.97 1.64 5.85 -1.78 -2.43 115.31 118.52 1ssg h LEU 108 Ca 0.08 -0.59 0.16 0.00 0.84 0.00 0.00 57.88 58.37 1ssg h LEU 108 Cb 0.82 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 1ssg h LEU 108 CO 0.07 0.79 0.58 0.40 -0.34 0.00 0.00 178.44 179.94 1ssg h ILE 109 N -0.28 0.76 -0.11 4.05 2.04 -1.21 -0.09 117.51 122.66 1ssg h ILE 109 Ca -0.00 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1ssg h ILE 109 Cb 0.76 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1ssg h ILE 109 CO 0.03 0.14 0.02 1.23 0.00 0.00 0.00 178.15 179.57 1ssg h GLY 110 N 0.78 0.11 1.00 5.37 0.00 -1.28 0.15 103.07 109.20 1ssg h GLY 110 Ca 0.54 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.87 1ssg h GLY 110 CO -0.35 -0.00 0.67 1.46 0.00 0.00 0.00 176.54 178.31 1ssg h GLN 111 N 0.06 1.32 -0.43 4.80 4.20 -0.78 -1.52 115.11 122.75 1ssg h GLN 111 Ca 0.05 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1ssg h GLN 111 Cb 0.04 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1ssg h GLN 111 CO -0.07 0.87 0.03 0.87 -0.67 0.00 0.00 178.83 179.87 1ssg h LYS 112 N 1.36 0.74 -0.08 1.46 1.57 -0.59 -1.94 116.57 119.09 1ssg h LYS 112 Ca 0.37 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ssg h LYS 112 Cb -0.14 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1ssg h LYS 112 CO -0.09 0.79 0.05 0.28 -0.57 0.00 0.00 179.45 179.91 1ssg h VAL 113 N 0.58 1.04 -0.90 0.50 2.07 -0.27 -0.50 116.25 118.77 1ssg h VAL 113 Ca 0.13 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1ssg h VAL 113 Cb 0.44 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1ssg h VAL 113 CO 0.02 0.04 0.57 0.00 0.02 0.00 0.00 177.57 178.21 1ssg h ALA 114 N 1.00 1.25 -0.09 1.67 0.00 -1.08 -1.34 119.26 120.66 1ssg h ALA 114 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ssg h ALA 114 Cb 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ssg h ALA 114 CO -0.01 0.32 -0.43 1.25 0.00 0.00 0.00 179.25 180.39 1ssg h HIS 115 N 1.03 0.61 -0.33 0.00 6.17 -1.05 -2.20 115.15 119.38 1ssg h HIS 115 Ca 0.39 -0.27 0.05 0.00 0.71 0.00 0.00 60.37 61.26 1ssg h HIS 115 Cb 0.18 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 29.97 1ssg h HIS 115 CO -0.02 1.03 0.07 0.00 0.71 0.00 0.00 177.93 179.72 1ssg h ALA 116 N 0.46 0.36 -0.79 5.26 0.00 -0.63 -0.54 119.26 123.38 1ssg h ALA 116 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ssg h ALA 116 Cb 1.07 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1ssg h ALA 116 CO 0.09 -0.33 0.42 -0.07 0.00 0.00 0.00 179.25 179.36 1ssg h LEU 117 N 0.19 1.00 -1.38 0.00 3.38 -1.30 -1.54 115.31 115.66 1ssg h LEU 117 Ca 0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1ssg h LEU 117 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1ssg h LEU 117 CO -0.20 0.82 -0.12 0.00 0.09 0.00 0.00 178.44 179.03 1ssg h ALA 118 N 1.22 1.49 -0.01 1.53 0.00 -0.72 -0.28 119.26 122.49 1ssg h ALA 118 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ssg h ALA 118 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ssg h ALA 118 CO -0.04 0.36 -0.04 0.39 0.00 0.00 0.00 179.25 179.92 1ssg n GLU 119 N -4.27 1.20 -0.43 0.00 -0.58 -0.27 -4.93 120.64 111.35 1ssg n GLU 119 Ca -0.01 -0.47 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1ssg n GLU 119 Cb 0.27 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1ssg n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ssg n GLY 120 N 1.15 0.77 3.84 0.62 0.00 -0.12 -4.98 105.19 106.48 1ssg n GLY 120 Ca 0.19 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1ssg n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ssg s LEU 121 N 0.00 3.12 0.26 0.99 1.43 -0.64 -4.99 118.68 118.85 1ssg s LEU 121 Ca 0.00 1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 54.45 1ssg s LEU 121 Cb 0.00 -4.41 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 1ssg s LEU 121 CO 0.00 -1.25 0.66 -0.83 0.23 0.00 0.00 176.35 175.16 1ssg s GLY 122 N -3.99 2.37 -0.12 -3.19 0.00 0.99 -4.31 107.32 99.07 1ssg s GLY 122 Ca 0.57 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.26 1ssg s GLY 122 CO 0.54 0.16 -0.19 0.14 0.00 0.00 0.00 173.10 173.75 1ssg s VAL 123 N -1.82 1.79 -0.55 1.40 1.01 -0.77 -1.04 120.40 120.42 1ssg s VAL 123 Ca 0.49 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1ssg s VAL 123 Cb -0.12 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.76 1ssg s VAL 123 CO 0.19 0.50 0.63 -0.63 0.00 0.00 0.00 175.10 175.79 1ssg s ILE 124 N 0.79 4.90 -0.29 2.22 1.01 -0.28 -1.18 121.20 128.37 1ssg s ILE 124 Ca -0.09 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 1ssg s ILE 124 Cb -0.16 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 1ssg s ILE 124 CO 0.00 -0.95 0.32 0.00 0.00 0.00 0.00 174.94 174.32 1ssg s ALA 125 N 2.49 3.54 -0.13 9.38 0.00 -0.10 -1.61 121.76 135.34 1ssg s ALA 125 Ca 0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 1ssg s ALA 125 Cb -0.23 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1ssg s ALA 125 CO 0.08 -0.73 0.18 0.00 0.00 0.00 0.00 175.76 175.29 1ssg s ILE 127 N -0.64 0.85 0.00 0.00 -4.36 0.00 -4.58 121.20 112.47 1ssg s ILE 127 Ca 0.15 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1ssg s ILE 127 Cb -0.12 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.31 1ssg s ILE 127 CO 0.04 -0.36 0.00 0.61 0.24 0.00 0.00 174.94 175.47 1ssg n GLY 128 N -0.35 3.41 3.91 6.27 0.00 -1.26 -1.02 105.19 116.15 1ssg n GLY 128 Ca -0.05 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1ssg n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ssg s GLU 129 N -1.83 3.57 0.58 1.61 1.03 -1.26 -4.71 118.70 117.69 1ssg s GLU 129 Ca 0.00 -0.20 -0.06 0.00 0.03 0.00 0.00 54.97 54.75 1ssg s GLU 129 Cb 0.00 -2.84 0.00 0.00 -0.80 0.00 0.00 34.13 30.49 1ssg s GLU 129 CO 0.00 0.44 0.89 0.15 -1.33 0.00 0.00 175.26 175.40 1ssg s LYS 130 N -2.95 2.97 0.20 -4.83 1.02 -1.26 -1.76 119.74 113.13 1ssg s LYS 130 Ca 0.40 -0.00 -0.11 0.00 0.02 0.00 0.00 55.97 56.28 1ssg s LYS 130 Cb -0.12 -2.29 0.14 0.00 -0.52 0.00 0.00 37.83 35.04 1ssg s LYS 130 CO 0.27 -0.65 1.84 1.25 -0.92 0.00 0.00 175.35 177.13 1ssg h LEU 131 N -0.13 0.87 -1.14 3.17 5.85 -1.96 -0.93 115.31 121.03 1ssg h LEU 131 Ca -0.45 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1ssg h LEU 131 Cb 1.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1ssg h LEU 131 CO 0.61 0.68 -0.05 -2.24 -0.34 0.00 0.00 178.44 177.09 1ssg h ASP 132 N 0.98 0.51 -0.56 1.25 2.03 -1.99 -0.86 116.42 117.78 1ssg h ASP 132 Ca 0.26 -0.11 -0.07 0.00 -0.73 0.00 0.00 57.03 56.37 1ssg h ASP 132 Cb -0.02 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.32 1ssg h ASP 132 CO -0.05 0.62 0.07 -0.33 -1.03 0.00 0.00 179.24 178.52 1ssg h GLU 133 N 0.50 0.94 -0.03 4.15 5.08 -1.72 -2.41 114.58 121.09 1ssg h GLU 133 Ca 0.10 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1ssg h GLU 133 Cb 0.41 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ssg h GLU 133 CO 0.02 0.91 -0.45 -0.09 -1.00 0.00 0.00 179.01 178.40 1ssg h ARG 134 N 0.83 0.08 -0.55 2.33 2.43 -0.84 -2.16 114.38 116.50 1ssg h ARG 134 Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1ssg h ARG 134 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1ssg h ARG 134 CO 0.01 0.52 0.25 1.49 -1.51 0.00 0.00 179.97 180.73 1ssg h GLU 135 N 0.07 0.80 0.00 0.20 4.57 -0.90 -2.75 114.58 116.57 1ssg h GLU 135 Ca 0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1ssg h GLU 135 Cb 0.83 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1ssg h GLU 135 CO 0.06 0.67 0.00 0.00 -1.18 0.00 0.00 179.01 178.56 1ssg n ALA 136 N -2.33 2.25 -0.04 2.92 0.00 -0.93 -4.93 120.51 117.44 1ssg n ALA 136 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ssg n ALA 136 Cb 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ssg n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ssg n GLY 137 N 1.23 0.98 1.86 0.00 0.00 -1.04 -5.01 105.19 103.22 1ssg n GLY 137 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1ssg n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ssg n ILE 138 N -2.04 2.99 0.12 -0.61 -5.35 -0.84 -4.67 119.36 108.96 1ssg n ILE 138 Ca 0.00 -2.85 -0.13 0.00 -0.27 0.00 0.00 62.75 59.50 1ssg n ILE 138 Cb 0.00 -0.71 -0.06 0.00 -1.74 0.00 0.00 39.64 37.13 1ssg n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ssg h THR 139 N 1.19 0.51 -0.30 7.28 2.02 -1.89 -2.05 112.91 119.67 1ssg h THR 139 Ca 0.45 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.68 1ssg h THR 139 Cb 1.71 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 1ssg h THR 139 CO 0.94 0.00 0.02 -0.08 0.37 0.00 0.00 175.52 176.77 1ssg h GLU 140 N -0.43 0.11 -0.91 6.66 4.81 -1.96 -1.53 114.58 121.34 1ssg h GLU 140 Ca 0.02 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1ssg h GLU 140 Cb 0.43 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 1ssg h GLU 140 CO -0.10 0.08 0.57 -0.22 -0.73 0.00 0.00 179.01 178.60 1ssg h LYS 141 N 0.12 1.01 0.08 1.92 3.11 -1.88 -1.55 116.57 119.38 1ssg h LYS 141 Ca 0.14 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1ssg h LYS 141 Cb 0.17 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1ssg h LYS 141 CO -0.22 0.67 -0.04 0.28 -2.81 0.00 0.00 179.45 177.33 1ssg h VAL 142 N 1.04 1.16 0.00 2.00 2.07 -0.87 -2.46 116.25 119.19 1ssg h VAL 142 Ca 0.39 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1ssg h VAL 142 Cb 0.16 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1ssg h VAL 142 CO -0.17 0.31 -0.21 -0.37 0.02 0.00 0.00 177.57 177.15 1ssg h VAL 143 N -0.79 0.72 -0.19 2.57 -1.51 -1.25 -0.96 116.25 114.84 1ssg h VAL 143 Ca -0.01 -0.89 -0.05 0.00 -1.23 0.00 0.00 66.70 64.52 1ssg h VAL 143 Cb 0.60 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 1ssg h VAL 143 CO 0.02 0.21 -0.06 -0.26 -1.23 0.00 0.00 177.57 176.24 1ssg h PHE 144 N 0.00 0.42 -0.21 5.19 0.05 -1.34 -0.69 116.94 120.37 1ssg h PHE 144 Ca -0.00 -0.10 0.05 0.00 3.82 0.00 0.00 57.97 61.74 1ssg h PHE 144 Cb 0.54 -0.10 -0.05 0.00 2.00 0.00 0.00 35.95 38.34 1ssg h PHE 144 CO 0.00 0.65 -0.13 1.49 -0.18 0.00 0.00 178.31 180.14 1ssg h GLU 145 N 0.07 -0.11 -0.51 1.51 4.81 -0.82 -0.81 114.58 118.72 1ssg h GLU 145 Ca 0.04 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1ssg h GLU 145 Cb 0.52 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1ssg h GLU 145 CO 0.02 -0.07 -0.13 1.96 -0.73 0.00 0.00 179.01 180.06 1ssg h GLN 146 N -0.12 0.97 -0.18 1.92 4.20 -1.22 -2.26 115.11 118.42 1ssg h GLN 146 Ca 0.12 -0.36 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 1ssg h GLN 146 Cb 0.29 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1ssg h GLN 146 CO -0.28 1.03 -0.29 1.15 -0.67 0.00 0.00 178.83 179.77 1ssg h THR 147 N 0.86 1.27 -0.34 -0.54 2.02 -0.76 -2.62 112.91 112.79 1ssg h THR 147 Ca 0.13 -1.29 -0.13 0.00 0.77 0.00 0.00 66.41 65.89 1ssg h THR 147 Cb 0.68 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1ssg h THR 147 CO 0.05 0.40 -0.33 0.50 0.37 0.00 0.00 175.52 176.51 1ssg h LYS 148 N 0.31 0.76 -0.55 6.66 3.64 -0.70 0.25 116.57 126.94 1ssg h LYS 148 Ca 0.04 -0.36 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 1ssg h LYS 148 Cb 0.68 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1ssg h LYS 148 CO 0.05 0.98 0.15 0.00 -2.27 0.00 0.00 179.45 178.36 1ssg h ALA 149 N 0.99 1.23 -0.09 5.00 0.00 -1.07 -0.60 119.26 124.72 1ssg h ALA 149 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ssg h ALA 149 Cb 0.86 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ssg h ALA 149 CO 0.08 0.54 -0.07 0.82 0.00 0.00 0.00 179.25 180.61 1ssg h ILE 150 N 0.81 1.35 -0.28 0.00 2.04 -1.11 -3.33 117.51 116.99 1ssg h ILE 150 Ca 0.18 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 1ssg h ILE 150 Cb 0.27 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1ssg h ILE 150 CO -0.01 0.33 -0.24 0.00 0.00 0.00 0.00 178.15 178.24 1ssg h ALA 151 N 0.60 1.07 -0.34 1.87 0.00 -0.24 -1.24 119.26 120.97 1ssg h ALA 151 Ca 0.02 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1ssg h ALA 151 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ssg h ALA 151 CO 0.02 0.57 0.35 -0.44 0.00 0.00 0.00 179.25 179.74 1ssg h ASP 152 N 0.47 0.00 -0.49 0.00 3.32 -1.21 -1.86 116.42 116.64 1ssg h ASP 152 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ssg h ASP 152 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1ssg h ASP 152 CO 0.05 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.16 1ssg n ASN 153 N -3.85 3.52 -4.16 6.45 3.02 -0.49 -4.89 115.26 114.87 1ssg n ASN 153 Ca 0.06 -2.12 -0.34 0.00 -0.03 0.00 0.00 54.58 52.14 1ssg n ASN 153 Cb 0.51 -0.37 -0.15 0.00 -0.61 0.00 0.00 39.78 39.16 1ssg n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ssg s VAL 154 N -1.23 2.58 -0.00 2.41 1.01 -0.70 -3.85 120.40 120.62 1ssg s VAL 154 Ca 0.36 -1.16 0.11 0.00 0.00 0.00 0.00 61.98 61.29 1ssg s VAL 154 Cb 0.20 -2.33 -0.20 0.00 0.00 0.00 0.00 36.38 34.05 1ssg s VAL 154 CO 0.22 0.19 0.90 0.11 0.00 0.00 0.00 175.10 176.52 1ssg h LYS 155 N 7.95 0.00 -3.20 2.72 1.57 -1.90 -3.47 116.57 120.24 1ssg h LYS 155 Ca -0.31 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.10 1ssg h LYS 155 Cb 1.10 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.02 1ssg h LYS 155 CO 0.56 0.63 -0.72 0.34 -0.57 0.00 0.00 179.45 179.69 1ssg s ASP 156 N -6.27 1.27 0.00 0.86 3.68 -1.26 -5.02 116.67 109.92 1ssg s ASP 156 Ca -0.02 0.00 0.22 0.00 2.13 0.00 0.00 52.55 54.88 1ssg s ASP 156 Cb 0.09 -0.06 0.64 0.00 -1.45 0.00 0.00 42.92 42.14 1ssg s ASP 156 CO 0.82 -0.27 1.50 0.79 0.13 0.00 0.00 175.17 178.14 1ssg n TRP 157 N 5.30 0.27 -0.18 -5.34 7.02 -1.26 -4.32 117.44 118.94 1ssg n TRP 157 Ca -0.04 -0.14 -0.03 0.00 -1.02 0.00 0.00 57.50 56.28 1ssg n TRP 157 Cb 0.50 0.00 0.18 0.00 -2.42 0.00 0.00 31.31 29.57 1ssg n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1ssg h SER 158 N 2.95 0.85 -0.52 -0.99 4.64 -1.97 -2.69 113.55 115.82 1ssg h SER 158 Ca 0.00 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 1ssg h SER 158 Cb 0.65 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 62.42 1ssg h SER 158 CO 0.00 0.76 0.13 0.29 -0.87 0.00 0.00 176.83 177.14 1ssg n LYS 159 N -4.31 2.88 -4.71 4.77 5.02 -1.26 -4.97 118.16 115.58 1ssg n LYS 159 Ca 0.05 -3.04 -0.32 0.00 -2.02 0.00 0.00 58.31 52.98 1ssg n LYS 159 Cb 0.17 -2.00 -0.12 0.00 -0.02 0.00 0.00 35.03 33.06 1ssg n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ssg s VAL 160 N -3.04 3.23 -0.04 -0.18 1.01 -1.02 -1.85 120.40 118.51 1ssg s VAL 160 Ca 0.49 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1ssg s VAL 160 Cb 0.41 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 1ssg s VAL 160 CO 0.08 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.81 1ssg s VAL 161 N -0.84 1.42 -0.20 2.92 1.01 -0.33 -4.46 120.40 119.91 1ssg s VAL 161 Ca 0.14 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1ssg s VAL 161 Cb -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1ssg s VAL 161 CO 0.03 0.41 0.46 -0.76 0.00 0.00 0.00 175.10 175.25 1ssg s LEU 162 N 0.01 4.14 -0.33 3.92 1.43 -0.44 -0.92 118.68 126.49 1ssg s LEU 162 Ca -0.03 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 1ssg s LEU 162 Cb -0.11 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.53 1ssg s LEU 162 CO 0.02 -0.14 0.10 0.00 0.23 0.00 0.00 176.35 176.55 1ssg s ALA 163 N 1.54 3.03 -0.20 4.21 0.00 -0.49 -0.00 121.76 129.85 1ssg s ALA 163 Ca 0.22 -1.74 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 1ssg s ALA 163 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 1ssg s ALA 163 CO 0.09 -1.32 0.67 -0.47 0.00 0.00 0.00 175.76 174.72 1ssg s TYR 164 N 1.39 3.36 -0.32 0.00 5.04 0.61 -0.82 117.35 126.62 1ssg s TYR 164 Ca -0.02 0.96 -0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1ssg s TYR 164 Cb -0.19 -2.85 0.13 0.00 0.35 0.00 0.00 41.96 39.40 1ssg s TYR 164 CO 0.03 -0.22 0.24 -1.21 -1.34 0.00 0.00 175.55 173.05 1ssg s GLU 165 N 2.07 0.40 -0.21 4.97 2.02 -0.19 -1.63 118.70 126.14 1ssg s GLU 165 Ca 0.30 -0.69 -0.37 0.00 0.02 0.00 0.00 54.97 54.23 1ssg s GLU 165 Cb -0.16 -0.98 -0.13 0.00 0.10 0.00 0.00 34.13 32.96 1ssg s GLU 165 CO 0.10 -1.10 1.88 -0.35 0.02 0.00 0.00 175.26 175.81 1ssg n PRO 166 N 4.77 1.61 -0.22 0.39 -0.04 -1.26 -4.30 135.00 135.95 1ssg n PRO 166 Ca 0.03 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1ssg n PRO 166 Cb 0.42 -2.41 0.12 0.00 -0.04 0.00 0.00 33.50 31.59 1ssg n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ssg h VAL 167 N 5.65 0.82 0.00 0.52 2.07 -1.62 -0.22 116.25 123.46 1ssg h VAL 167 Ca -0.44 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ssg h VAL 167 Cb 1.30 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ssg h VAL 167 CO 0.97 0.09 0.00 -2.67 0.02 0.00 0.00 177.57 175.98 1ssg n TRP 168 N -4.92 0.00 0.48 1.57 4.27 -1.26 -2.38 117.44 115.20 1ssg n TRP 168 Ca 0.10 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.78 1ssg n TRP 168 Cb 0.26 -0.04 -0.09 0.00 -1.36 0.00 0.00 31.31 30.08 1ssg n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ssg n ALA 169 N -1.04 3.50 -2.21 -1.67 0.00 -0.10 -4.75 120.51 114.23 1ssg n ALA 169 Ca 0.10 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1ssg n ALA 169 Cb 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1ssg n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ssg s ILE 170 N -2.60 3.85 0.00 0.00 1.01 -1.00 -3.28 121.20 119.17 1ssg s ILE 170 Ca 0.02 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1ssg s ILE 170 Cb 0.11 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1ssg s ILE 170 CO 0.61 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1ssg n GLY 171 N 3.79 2.62 3.85 6.18 0.00 -1.26 -4.96 105.19 115.42 1ssg n GLY 171 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1ssg n GLY 171 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ssg s THR 172 N -1.54 1.95 -1.80 2.61 -4.23 -1.24 -4.94 115.64 106.45 1ssg s THR 172 Ca 0.00 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.70 1ssg s THR 172 Cb 0.00 -2.89 0.46 0.00 1.34 0.00 0.00 72.50 71.42 1ssg s THR 172 CO 0.00 0.00 1.53 0.61 -0.54 0.00 0.00 174.62 176.22 1ssg n GLY 173 N -3.00 -0.69 3.08 3.99 0.00 -1.26 -4.75 105.19 102.57 1ssg n GLY 173 Ca 0.12 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1ssg n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ssg s TYR 174 N -2.20 2.17 0.41 1.61 1.51 -1.26 -5.01 117.35 114.57 1ssg s TYR 174 Ca 0.24 -1.05 0.08 0.00 -1.01 0.00 0.00 57.07 55.33 1ssg s TYR 174 Cb 0.13 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1ssg s TYR 174 CO 0.24 -0.52 0.35 -1.54 -1.11 0.00 0.00 175.55 172.97 1ssg s SER 175 N 0.97 5.02 0.20 2.29 1.04 -1.26 -4.52 113.70 117.44 1ssg s SER 175 Ca -0.06 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.58 1ssg s SER 175 Cb -0.15 -0.60 0.14 0.00 0.10 0.00 0.00 66.02 65.51 1ssg s SER 175 CO -0.02 -0.61 1.55 -0.07 0.98 0.00 0.00 173.24 175.07 1ssg h LEU 176 N 1.08 0.68 0.00 2.42 3.38 -1.94 -3.50 115.31 117.44 1ssg h LEU 176 Ca -0.42 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1ssg h LEU 176 Cb 1.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ssg h LEU 176 CO 0.58 1.02 0.00 0.35 0.09 0.00 0.00 178.44 180.48 1ssg n THR 177 N -4.02 -0.52 -0.29 0.22 -2.24 -1.26 -4.48 114.28 101.69 1ssg n THR 177 Ca -0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1ssg n THR 177 Cb 0.54 -0.22 0.22 0.00 -2.10 0.00 0.00 70.33 68.77 1ssg n THR 177 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ssg h PRO 178 N 0.00 0.11 0.17 -0.78 0.11 -1.94 -1.53 132.00 128.14 1ssg h PRO 178 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1ssg h PRO 178 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1ssg h PRO 178 CO 0.00 0.07 -0.08 1.96 -0.21 0.00 0.00 178.00 179.74 1ssg h GLN 179 N 0.11 -0.22 -0.58 1.05 7.50 -1.95 -1.54 115.11 119.48 1ssg h GLN 179 Ca 0.50 0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.76 1ssg h GLN 179 Cb 0.95 0.05 -0.08 0.00 0.05 0.00 0.00 27.48 28.45 1ssg h GLN 179 CO -0.73 0.05 0.16 1.96 -1.50 0.00 0.00 178.83 178.76 1ssg h GLN 180 N -0.48 0.29 -0.41 1.46 4.20 -1.52 -1.76 115.11 116.89 1ssg h GLN 180 Ca -0.02 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1ssg h GLN 180 Cb 0.37 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1ssg h GLN 180 CO 0.04 0.19 0.17 0.00 -0.67 0.00 0.00 178.83 178.56 1ssg h ALA 181 N 1.44 0.50 -0.72 3.87 0.00 -1.30 -2.88 119.26 120.17 1ssg h ALA 181 Ca 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1ssg h ALA 181 Cb 0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1ssg h ALA 181 CO -0.36 -0.21 0.37 0.37 0.00 0.00 0.00 179.25 179.42 1ssg h GLN 182 N 0.35 1.02 -0.69 0.00 5.75 -0.62 -0.37 115.11 120.54 1ssg h GLN 182 Ca 0.19 -0.14 0.14 0.00 -0.15 0.00 0.00 58.65 58.69 1ssg h GLN 182 Cb 0.14 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 1ssg h GLN 182 CO -0.17 0.78 0.47 1.49 -2.65 0.00 0.00 178.83 178.75 1ssg h GLU 183 N 1.00 0.36 0.09 1.69 4.81 -1.13 0.38 114.58 121.78 1ssg h GLU 183 Ca 0.25 -0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 59.10 1ssg h GLU 183 Cb 0.08 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1ssg h GLU 183 CO -0.04 0.24 -2.03 0.28 -0.73 0.00 0.00 179.01 176.74 1ssg n VAL 184 N -4.47 1.71 -0.14 0.32 0.31 -0.86 -3.06 118.33 112.15 1ssg n VAL 184 Ca 0.13 -0.67 -0.05 0.00 -0.01 0.00 0.00 64.34 63.73 1ssg n VAL 184 Cb 0.49 -1.56 0.14 0.00 -0.91 0.00 0.00 33.84 32.01 1ssg n VAL 184 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1ssg h HIS 185 N 0.05 0.92 -0.73 3.52 3.86 -0.87 -0.92 115.15 120.99 1ssg h HIS 185 Ca -0.43 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 58.63 1ssg h HIS 185 Cb 2.02 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 30.20 1ssg h HIS 185 CO 0.06 0.82 0.34 1.49 0.86 0.00 0.00 177.93 181.49 1ssg h GLU 186 N 0.82 1.05 -0.25 2.45 4.81 -0.39 -2.27 114.58 120.78 1ssg h GLU 186 Ca 0.16 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1ssg h GLU 186 Cb 0.42 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ssg h GLU 186 CO 0.01 0.82 -0.27 0.87 -0.73 0.00 0.00 179.01 179.71 1ssg h LYS 187 N 1.04 0.63 -0.44 1.92 1.57 -1.40 -1.90 116.57 117.99 1ssg h LYS 187 Ca 0.25 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1ssg h LYS 187 Cb 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ssg h LYS 187 CO -0.03 0.94 0.01 -0.07 -0.57 0.00 0.00 179.45 179.73 1ssg h LEU 188 N 0.35 0.67 -0.28 2.94 3.38 -1.01 0.66 115.31 122.01 1ssg h LEU 188 Ca 0.04 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 1ssg h LEU 188 Cb 0.83 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ssg h LEU 188 CO 0.07 0.74 -0.67 -0.09 0.09 0.00 0.00 178.44 178.57 1ssg h ARG 189 N 0.67 0.74 0.00 1.13 2.43 -1.41 -1.50 114.38 116.44 1ssg h ARG 189 Ca 0.14 -0.54 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1ssg h ARG 189 Cb 0.40 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1ssg h ARG 189 CO 0.01 1.16 -0.11 0.78 -1.51 0.00 0.00 179.97 180.31 1ssg h GLY 190 N 0.76 0.00 0.46 2.80 0.00 -0.90 -0.36 103.07 105.83 1ssg h GLY 190 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ssg h GLY 190 CO 0.14 0.00 -0.03 -0.25 0.00 0.00 0.00 176.54 176.40 1ssg h TRP 191 N 0.00 -0.08 -0.11 5.60 7.01 -0.51 -2.64 115.95 125.22 1ssg h TRP 191 Ca -0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1ssg h TRP 191 Cb 0.20 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1ssg h TRP 191 CO 0.00 0.42 0.12 -0.07 -2.79 0.00 0.00 178.44 176.12 1ssg h LEU 192 N -0.63 0.00 0.33 0.65 3.38 -1.07 -0.62 115.31 117.36 1ssg h LEU 192 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ssg h LEU 192 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ssg h LEU 192 CO 0.01 0.00 -0.16 0.50 0.09 0.00 0.00 178.44 178.88 1ssg h LYS 193 N 0.00 -0.43 0.00 1.13 3.64 -0.95 -2.07 116.57 117.90 1ssg h LYS 193 Ca 0.05 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 1ssg h LYS 193 Cb 0.29 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1ssg h LYS 193 CO -0.00 -0.12 -0.68 0.66 -2.27 0.00 0.00 179.45 177.04 1ssg h SER 194 N -0.78 0.00 0.00 4.20 4.64 -1.06 -3.34 113.55 117.20 1ssg h SER 194 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ssg h SER 194 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1ssg h SER 194 CO 0.08 0.68 -1.51 1.41 -0.87 0.00 0.00 176.83 176.62 1ssg n HIS 195 N -3.31 0.00 0.00 4.77 8.25 -0.29 -4.90 115.22 119.74 1ssg n HIS 195 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ssg n HIS 195 Cb 0.79 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1ssg n HIS 195 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ssg n VAL 196 N -1.90 0.00 -3.57 1.59 0.31 -1.05 -5.04 118.33 108.68 1ssg n VAL 196 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.25 1ssg n VAL 196 Cb 0.40 -0.35 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1ssg n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ssg s SER 197 N 1.00 -0.24 0.29 4.52 1.04 -0.80 -5.02 113.70 114.49 1ssg s SER 197 Ca 0.00 0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 1ssg s SER 197 Cb 0.00 0.24 0.44 0.00 0.10 0.00 0.00 66.02 66.80 1ssg s SER 197 CO 0.00 -0.36 1.95 -0.78 0.98 0.00 0.00 173.24 175.02 1ssg h ASP 198 N 2.08 0.97 -0.04 7.02 1.82 -1.80 -1.87 116.42 124.59 1ssg h ASP 198 Ca -0.14 -0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.31 1ssg h ASP 198 Cb 1.19 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.97 1ssg h ASP 198 CO 0.26 0.68 -0.57 0.00 -1.61 0.00 0.00 179.24 178.00 1ssg h ALA 199 N 1.48 0.62 -0.31 -0.78 0.00 -1.96 -0.92 119.26 117.39 1ssg h ALA 199 Ca 0.34 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1ssg h ALA 199 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ssg h ALA 199 CO -0.09 0.69 -0.26 0.28 0.00 0.00 0.00 179.25 179.87 1ssg h VAL 200 N 0.48 1.30 -0.52 0.00 2.07 -1.87 -2.09 116.25 115.62 1ssg h VAL 200 Ca 0.00 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 1ssg h VAL 200 Cb 1.13 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1ssg h VAL 200 CO 0.11 0.46 0.15 0.00 0.02 0.00 0.00 177.57 178.31 1ssg h ALA 201 N 0.73 1.30 0.00 1.67 0.00 -1.22 -0.80 119.26 120.94 1ssg h ALA 201 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1ssg h ALA 201 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ssg h ALA 201 CO 0.07 0.50 -0.60 1.96 0.00 0.00 0.00 179.25 181.18 1ssg h GLN 202 N 0.75 0.00 0.00 0.00 1.08 -1.08 -3.35 115.11 112.52 1ssg h GLN 202 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1ssg h GLN 202 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1ssg h GLN 202 CO -0.01 0.60 -1.20 -1.13 -0.95 0.00 0.00 178.83 176.14 1ssg n SER 203 N -3.40 1.07 -4.67 1.46 3.41 -0.80 -4.65 113.62 106.04 1ssg n SER 203 Ca 0.01 -0.43 -0.40 0.00 -0.26 0.00 0.00 58.87 57.78 1ssg n SER 203 Cb 0.71 1.35 -0.05 0.00 -0.26 0.00 0.00 64.21 65.96 1ssg n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ssg s THR 204 N -2.74 4.97 -0.04 6.66 2.01 -0.32 -4.90 115.64 121.27 1ssg s THR 204 Ca 0.00 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 1ssg s THR 204 Cb 0.11 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1ssg s THR 204 CO 0.63 0.10 0.94 -0.13 -0.69 0.00 0.00 174.62 175.48 1ssg s ARG 205 N 1.79 4.50 -0.21 4.92 3.00 -1.26 -4.94 118.95 126.75 1ssg s ARG 205 Ca 0.34 1.32 -0.03 0.00 0.00 0.00 0.00 55.73 57.36 1ssg s ARG 205 Cb -0.16 -3.49 -0.01 0.00 0.00 0.00 0.00 34.95 31.29 1ssg s ARG 205 CO 0.12 -0.12 -0.07 0.42 0.00 0.00 0.00 175.30 175.66 1ssg s ILE 206 N 1.29 3.21 0.09 1.52 1.01 -1.26 -1.32 121.20 125.75 1ssg s ILE 206 Ca 0.48 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.67 1ssg s ILE 206 Cb -0.20 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1ssg s ILE 206 CO 0.23 0.45 -0.22 0.27 0.00 0.00 0.00 174.94 175.67 1ssg s ILE 207 N 1.33 2.52 -0.13 2.92 -4.36 1.00 -1.31 121.20 123.18 1ssg s ILE 207 Ca 0.04 -1.50 -0.06 0.00 -0.26 0.00 0.00 60.65 58.87 1ssg s ILE 207 Cb -0.14 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1ssg s ILE 207 CO -0.03 0.19 0.08 -0.47 0.24 0.00 0.00 174.94 174.94 1ssg s TYR 208 N -1.01 3.37 0.21 1.37 6.14 -0.36 -0.28 117.35 126.78 1ssg s TYR 208 Ca 0.15 0.31 0.02 0.00 0.64 0.00 0.00 57.07 58.19 1ssg s TYR 208 Cb -0.10 -1.93 -0.05 0.00 0.42 0.00 0.00 41.96 40.30 1ssg s TYR 208 CO 0.06 0.50 0.02 0.20 0.64 0.00 0.00 175.55 176.97 1ssg s GLY 209 N -0.61 1.43 0.00 8.97 0.00 -0.64 -1.95 107.32 114.52 1ssg s GLY 209 Ca 0.11 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1ssg s GLY 209 CO 0.02 -1.59 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1ssg n GLY 210 N -0.34 1.22 2.83 0.20 0.00 -1.26 -4.14 105.19 103.70 1ssg n GLY 210 Ca -0.05 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 1ssg n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ssg n SER 211 N 0.00 -4.90 -4.71 1.61 7.64 -1.21 -4.23 113.62 107.82 1ssg n SER 211 Ca 0.00 -0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.14 1ssg n SER 211 Cb 0.00 -3.57 -0.03 0.00 -1.01 0.00 0.00 64.21 59.60 1ssg n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ssg s VAL 212 N -3.15 4.36 0.24 0.44 1.01 -1.26 -4.59 120.40 117.45 1ssg s VAL 212 Ca 0.34 1.70 0.03 0.00 0.00 0.00 0.00 61.98 64.05 1ssg s VAL 212 Cb -0.15 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1ssg s VAL 212 CO 0.43 0.14 0.03 0.42 0.00 0.00 0.00 175.10 176.11 1ssg s THR 213 N 1.01 0.85 0.56 3.92 -4.23 -1.26 -4.57 115.64 111.92 1ssg s THR 213 Ca 0.56 -2.01 0.24 0.00 -1.18 0.00 0.00 61.69 59.29 1ssg s THR 213 Cb -0.26 -2.44 0.32 0.00 1.34 0.00 0.00 72.50 71.46 1ssg s THR 213 CO 0.29 -0.22 2.19 1.23 -0.54 0.00 0.00 174.62 177.56 1ssg h GLY 214 N 2.45 0.00 2.00 3.99 0.00 -1.94 -1.91 103.07 107.66 1ssg h GLY 214 Ca -0.38 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.78 1ssg h GLY 214 CO 0.64 0.00 -0.82 -1.33 0.00 0.00 0.00 176.54 175.02 1ssg h GLY 215 N 0.00 0.00 -0.09 4.60 0.00 -1.96 -3.37 103.07 102.24 1ssg h GLY 215 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ssg h GLY 215 CO -0.00 0.00 -0.59 1.16 0.00 0.00 0.00 176.54 177.11 1ssg n ASN 216 N -3.38 0.76 0.00 0.19 0.23 -0.94 -4.73 115.26 107.40 1ssg n ASN 216 Ca 0.00 -0.88 -0.11 0.00 -0.53 0.00 0.00 54.58 53.06 1ssg n ASN 216 Cb 0.84 0.92 0.03 0.00 -2.08 0.00 0.00 39.78 39.49 1ssg n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ssg h LYS 218 N 0.43 0.11 -0.36 0.00 6.56 -1.81 0.82 116.57 122.32 1ssg h LYS 218 Ca -0.01 -0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.43 1ssg h LYS 218 Cb 1.18 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.81 1ssg h LYS 218 CO 0.12 0.08 -0.38 0.93 -2.06 0.00 0.00 179.45 178.14 1ssg h GLU 219 N 0.12 0.85 -0.16 3.15 5.08 -1.88 -2.10 114.58 119.63 1ssg h GLU 219 Ca 0.27 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1ssg h GLU 219 Cb 0.42 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ssg h GLU 219 CO -0.45 1.08 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.50 1ssg h LEU 220 N 0.70 0.34 -1.83 1.33 3.38 -1.28 -3.04 115.31 114.90 1ssg h LEU 220 Ca 0.06 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1ssg h LEU 220 Cb 0.95 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ssg h LEU 220 CO 0.09 0.66 -0.11 0.00 0.09 0.00 0.00 178.44 179.17 1ssg h ALA 221 N 0.69 1.74 -0.43 1.53 0.00 -0.86 -2.20 119.26 119.73 1ssg h ALA 221 Ca 0.04 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1ssg h ALA 221 Cb 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ssg h ALA 221 CO 0.02 0.14 0.30 1.03 0.00 0.00 0.00 179.25 180.74 1ssg h SER 222 N 0.00 0.17 -3.91 0.00 0.87 -1.25 -3.44 113.55 105.98 1ssg h SER 222 Ca -0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.02 1ssg h SER 222 Cb 0.20 -0.03 0.12 0.00 -0.44 0.00 0.00 62.40 62.25 1ssg h SER 222 CO 0.01 0.10 0.71 0.00 -0.53 0.00 0.00 176.83 177.12 1ssg n GLN 223 N -4.45 2.36 -0.26 2.24 1.13 -0.83 -4.93 117.38 112.64 1ssg n GLN 223 Ca 0.07 0.84 -0.07 0.00 -1.94 0.00 0.00 57.00 55.89 1ssg n GLN 223 Cb 0.37 -2.62 0.05 0.00 0.11 0.00 0.00 30.24 28.15 1ssg n GLN 223 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ssg h HIS 224 N 2.48 1.11 -0.61 1.08 3.86 -1.89 -3.06 115.15 118.12 1ssg h HIS 224 Ca -0.50 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 58.61 1ssg h HIS 224 Cb 1.26 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.41 1ssg h HIS 224 CO 0.50 0.87 0.00 -0.25 0.86 0.00 0.00 177.93 179.91 1ssg n ASP 225 N -4.33 5.24 -4.26 2.45 9.92 -1.26 -4.81 116.55 119.50 1ssg n ASP 225 Ca 0.05 -2.68 -0.36 0.00 -0.53 0.00 0.00 54.79 51.27 1ssg n ASP 225 Cb 0.20 -0.63 -0.13 0.00 -0.64 0.00 0.00 41.12 39.92 1ssg n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ssg s VAL 226 N -2.29 3.43 -1.62 2.53 1.01 -1.16 -4.70 120.40 117.60 1ssg s VAL 226 Ca 0.53 -1.02 0.20 0.00 0.00 0.00 0.00 61.98 61.70 1ssg s VAL 226 Cb 0.37 -2.84 0.62 0.00 0.00 0.00 0.00 36.38 34.53 1ssg s VAL 226 CO 0.21 0.02 1.52 0.47 0.00 0.00 0.00 175.10 177.32 1ssg n ASP 227 N 4.75 4.01 0.00 3.32 10.43 -0.42 -4.77 116.55 133.87 1ssg n ASP 227 Ca -0.14 -2.12 0.00 0.00 2.57 0.00 0.00 54.79 55.10 1ssg n ASP 227 Cb 0.46 -0.48 0.00 0.00 1.84 0.00 0.00 41.12 42.94 1ssg n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ssg n GLY 228 N 1.36 0.82 3.04 0.44 0.00 -1.26 -1.60 105.19 107.98 1ssg n GLY 228 Ca 0.23 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1ssg n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ssg s PHE 229 N -3.13 0.03 -0.28 1.61 0.08 -0.79 -1.22 117.98 114.28 1ssg s PHE 229 Ca 0.00 -0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 1ssg s PHE 229 Cb 0.00 -0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.37 1ssg s PHE 229 CO 0.00 -0.18 0.15 -1.17 -0.10 0.00 0.00 175.22 173.92 1ssg s LEU 230 N -0.87 3.91 -0.20 -0.37 2.96 -0.82 -1.14 118.68 122.15 1ssg s LEU 230 Ca -0.10 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1ssg s LEU 230 Cb -0.06 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1ssg s LEU 230 CO 0.01 -0.08 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.22 1ssg s VAL 231 N 1.69 3.60 0.00 1.68 1.01 0.14 -4.15 120.40 124.37 1ssg s VAL 231 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1ssg s VAL 231 Cb -0.16 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ssg s VAL 231 CO 0.08 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1ssg n GLY 232 N 4.34 0.73 0.33 4.51 0.00 -1.26 -0.03 105.19 113.80 1ssg n GLY 232 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1ssg n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ssg n GLY 233 N 4.98 -1.30 0.20 -0.02 0.00 -1.26 -0.46 105.19 107.33 1ssg n GLY 233 Ca 0.00 0.93 0.15 0.00 0.00 0.00 0.00 46.02 47.09 1ssg n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssg h ALA 234 N 1.87 1.00 0.00 4.61 0.00 -1.86 -2.62 119.26 122.27 1ssg h ALA 234 Ca 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 1ssg h ALA 234 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1ssg h ALA 234 CO -0.89 0.00 -0.17 0.66 0.00 0.00 0.00 179.25 178.85 1ssg h SER 235 N 0.00 0.00 1.49 0.00 4.64 -0.96 -2.17 113.55 116.54 1ssg h SER 235 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ssg h SER 235 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1ssg h SER 235 CO 0.00 0.17 -0.09 -0.07 -0.87 0.00 0.00 176.83 175.97 1ssg h LEU 236 N 0.00 0.00-10.43 5.97 3.38 -1.61 -3.46 115.31 109.16 1ssg h LEU 236 Ca -0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1ssg h LEU 236 Cb 0.44 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.22 1ssg h LEU 236 CO 0.02 0.09 -0.15 -0.54 0.09 0.00 0.00 178.44 177.95 1ssg s LYS 237 N -3.39 2.80 0.44 1.13 1.02 -0.82 -4.97 119.74 115.95 1ssg s LYS 237 Ca 0.04 -0.87 0.15 0.00 0.02 0.00 0.00 55.97 55.30 1ssg s LYS 237 Cb 0.07 -2.62 0.97 0.00 -0.52 0.00 0.00 37.83 35.73 1ssg s LYS 237 CO 0.63 -0.40 1.96 -1.00 -0.92 0.00 0.00 175.35 175.62 1ssg h PRO 238 N 0.40 0.00 0.00 -1.68 0.13 -1.91 -3.01 132.00 125.94 1ssg h PRO 238 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ssg h PRO 238 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ssg h PRO 238 CO 0.51 0.22 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 1ssg n GLU 239 N -4.23 0.11 -0.31 0.86 0.28 -1.26 -1.48 120.64 114.60 1ssg n GLU 239 Ca -0.02 0.49 0.11 0.00 -0.16 0.00 0.00 57.16 57.58 1ssg n GLU 239 Cb 0.28 -1.77 0.28 0.00 1.43 0.00 0.00 31.44 31.66 1ssg n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ssg h PHE 240 N 0.00 0.77 -0.29 -1.84 3.57 -1.52 0.11 116.94 117.75 1ssg h PHE 240 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1ssg h PHE 240 Cb 0.14 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 1ssg h PHE 240 CO 0.00 0.09 -0.19 0.28 -2.23 0.00 0.00 178.31 176.26 1ssg h VAL 241 N 0.55 0.48 -0.46 1.41 2.07 -1.51 -0.86 116.25 117.92 1ssg h VAL 241 Ca 0.53 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.13 1ssg h VAL 241 Cb 0.89 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1ssg h VAL 241 CO -0.44 0.00 0.31 0.44 0.02 0.00 0.00 177.57 177.90 1ssg h ASP 242 N -0.16 0.23 0.08 0.57 3.32 -0.99 -2.40 116.42 117.07 1ssg h ASP 242 Ca 0.15 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.97 1ssg h ASP 242 Cb 0.39 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.91 1ssg h ASP 242 CO -0.39 0.14 -0.93 0.40 -1.72 0.00 0.00 179.24 176.75 1ssg h ILE 243 N 0.26 1.32 -0.78 0.35 2.04 -0.45 -2.33 117.51 117.91 1ssg h ILE 243 Ca 0.21 -2.22 0.14 0.00 1.00 0.00 0.00 64.86 63.99 1ssg h ILE 243 Cb 0.49 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 1ssg h ILE 243 CO -0.04 0.68 0.52 0.40 0.00 0.00 0.00 178.15 179.71 1ssg h ILE 244 N 0.38 0.81 -0.61 -0.67 2.04 -0.78 -2.46 117.51 116.21 1ssg h ILE 244 Ca -0.09 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 1ssg h ILE 244 Cb 1.56 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 1ssg h ILE 244 CO 0.18 0.09 0.12 0.59 0.00 0.00 0.00 178.15 179.13 1ssg n ASN 245 N -4.50 5.11 -0.28 1.72 3.02 -0.94 -4.65 115.26 114.74 1ssg n ASN 245 Ca 0.15 -2.99 0.24 0.00 -0.03 0.00 0.00 54.58 51.94 1ssg n ASN 245 Cb 0.50 -0.70 0.57 0.00 -0.61 0.00 0.00 39.78 39.54 1ssg n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ssg h ALA 246 N 3.34 2.42 0.00 5.41 0.00 -0.93 0.77 119.26 130.26 1ssg h ALA 246 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ssg h ALA 246 Cb 2.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1ssg h ALA 246 CO 0.58 -0.76 -0.73 0.87 0.00 0.00 0.00 179.25 179.21 1ssg h LYS 247 N 0.29 0.00 0.00 0.00 1.57 -1.86 -3.39 116.57 113.18 1ssg h LYS 247 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1ssg h LYS 247 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1ssg h LYS 247 CO -0.18 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.42