#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fur s SER 20 N 0.00 2.45 0.28 9.48 1.04 -1.26 -5.00 113.70 120.69 2fur s SER 20 Ca 0.00 -1.56 0.02 0.00 0.48 0.00 0.00 55.95 54.89 2fur s SER 20 Cb 0.00 0.30 0.64 0.00 0.10 0.00 0.00 66.02 67.06 2fur s SER 20 CO 0.00 -0.82 1.73 0.44 0.98 0.00 0.00 173.24 175.57 2fur h ASP 21 N 1.96 0.44 -0.51 7.02 5.19 -2.03 -2.04 116.42 126.46 2fur h ASP 21 Ca -0.37 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.11 2fur h ASP 21 Cb 1.26 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 2fur h ASP 21 CO 0.60 0.11 0.14 1.05 -3.12 0.00 0.00 179.24 178.02 2fur h GLU 22 N 0.52 0.86 -0.65 3.56 9.09 -1.99 -0.82 114.58 125.14 2fur h GLU 22 Ca 0.52 -0.18 -0.04 0.00 0.05 0.00 0.00 59.36 59.71 2fur h GLU 22 Cb 0.87 -0.13 -0.03 0.00 -1.65 0.00 0.00 28.75 27.81 2fur h GLU 22 CO -0.45 0.77 0.25 -0.44 0.05 0.00 0.00 179.01 179.19 2fur h ASP 23 N 0.82 0.89 -0.26 3.06 3.32 -1.77 -1.15 116.42 121.34 2fur h ASP 23 Ca 0.18 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2fur h ASP 23 Cb 0.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2fur h ASP 23 CO -0.00 0.80 -0.07 0.25 -1.72 0.00 0.00 179.24 178.50 2fur h LEU 24 N 0.95 0.51 -0.92 1.55 5.85 -1.00 -3.13 115.31 119.11 2fur h LEU 24 Ca 0.22 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2fur h LEU 24 Cb 0.20 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2fur h LEU 24 CO -0.02 0.76 0.55 0.58 -0.34 0.00 0.00 178.44 179.98 2fur h VAL 25 N 0.25 1.25 0.00 1.05 2.07 -1.01 0.44 116.25 120.31 2fur h VAL 25 Ca 0.06 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2fur h VAL 25 Cb 0.54 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2fur h VAL 25 CO 0.03 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2fur n ALA 26 N -2.38 1.28 0.00 1.67 0.00 -0.45 0.18 120.51 120.80 2fur n ALA 26 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2fur n ALA 26 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2fur n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fur n LEU 28 N 0.60 0.00 -0.14 0.00 4.77 0.14 -2.38 117.00 120.00 2fur n LEU 28 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2fur n LEU 28 Cb 0.03 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.44 2fur n LEU 28 CO 0.00 0.00 1.21 0.44 -1.33 0.00 0.00 177.39 177.71 2fur h ASP 29 N 0.00 0.71 -0.01 -1.43 3.32 -0.53 -2.55 116.42 115.93 2fur h ASP 29 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2fur h ASP 29 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2fur h ASP 29 CO 0.00 0.51 -0.03 -2.11 -1.72 0.00 0.00 179.24 175.89 2fur n ARG 30 N -4.45 1.88 -4.31 3.56 1.85 -1.00 -4.90 116.66 109.29 2fur n ARG 30 Ca 0.07 -1.33 -0.27 0.00 -1.00 0.00 0.00 57.85 55.31 2fur n ARG 30 Cb 0.06 -1.47 -0.10 0.00 -1.05 0.00 0.00 32.46 29.90 2fur n ARG 30 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2fur s ASN 31 N -2.04 4.07 0.00 2.89 0.01 -0.96 -4.33 114.94 114.58 2fur s ASN 31 Ca 0.33 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 2fur s ASN 31 Cb 0.20 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 41.24 2fur s ASN 31 CO 0.34 0.13 0.64 2.22 -1.51 0.00 0.00 177.10 178.91 2fur n PHE 32 N 0.27 0.00 -4.21 2.20 1.16 -1.26 -4.84 117.46 110.78 2fur n PHE 32 Ca -0.12 -0.20 -0.12 0.00 -1.87 0.00 0.00 57.45 55.14 2fur n PHE 32 Cb 0.55 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.30 2fur n PHE 32 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2fur s THR 33 N -0.40 0.90 0.24 1.97 -4.23 -1.26 -0.34 115.64 112.51 2fur s THR 33 Ca 0.00 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 2fur s THR 33 Cb 0.00 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 72.05 2fur s THR 33 CO 0.00 -0.78 0.52 0.00 -0.54 0.00 0.00 174.62 173.82 2fur s THR 35 N -3.96 3.95 -0.21 0.00 2.01 -0.35 -4.35 115.64 112.73 2fur s THR 35 Ca 0.17 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 2fur s THR 35 Cb -0.02 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 2fur s THR 35 CO 0.05 0.52 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 2fur s VAL 36 N 0.03 3.35 -0.05 3.82 1.01 -0.26 0.17 120.40 128.48 2fur s VAL 36 Ca 0.01 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2fur s VAL 36 Cb -0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2fur s VAL 36 CO 0.03 0.43 -0.15 -0.44 0.00 0.00 0.00 175.10 174.97 2fur s SER 37 N 1.35 3.98 0.23 3.32 0.01 0.12 -0.94 113.70 121.77 2fur s SER 37 Ca 0.04 -0.21 -0.19 0.00 1.31 0.00 0.00 55.95 56.90 2fur s SER 37 Cb -0.14 -0.82 0.02 0.00 0.21 0.00 0.00 66.02 65.29 2fur s SER 37 CO -0.03 0.34 0.60 0.72 0.41 0.00 0.00 173.24 175.29 2fur s PHE 38 N -0.73 -0.13 -0.17 2.43 -0.12 -0.91 -0.96 117.98 117.40 2fur s PHE 38 Ca 0.11 -0.25 -0.05 0.00 -0.05 0.00 0.00 56.93 56.69 2fur s PHE 38 Cb -0.11 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 2fur s PHE 38 CO 0.01 -1.05 0.00 0.42 -0.05 0.00 0.00 175.22 174.55 2fur s ILE 39 N -3.90 4.25 -0.15 -4.49 1.01 -1.26 -1.37 121.20 115.29 2fur s ILE 39 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2fur s ILE 39 Cb -0.03 -2.89 0.08 0.00 0.01 0.00 0.00 42.46 39.63 2fur s ILE 39 CO 0.02 0.48 0.27 -0.62 0.00 0.00 0.00 174.94 175.08 2fur s ASP 40 N 0.39 0.51 -1.54 3.58 2.15 -0.26 -4.82 116.67 116.69 2fur s ASP 40 Ca -0.01 0.43 -0.05 0.00 0.43 0.00 0.00 52.55 53.34 2fur s ASP 40 Cb -0.13 0.69 0.01 0.00 -0.30 0.00 0.00 42.92 43.18 2fur s ASP 40 CO 0.02 -0.26 0.70 0.61 -0.17 0.00 0.00 175.17 176.07 2fur n GLY 41 N 5.35 -0.53 2.79 2.66 0.00 -1.26 -2.39 105.19 111.81 2fur n GLY 41 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2fur n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fur n GLY 42 N -1.60 0.42 3.39 -0.02 0.00 -1.26 -5.01 105.19 101.11 2fur n GLY 42 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2fur n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2fur s ILE 43 N -2.07 2.18 0.05 -0.61 -4.36 -1.00 -5.11 121.20 110.28 2fur s ILE 43 Ca 0.00 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.14 2fur s ILE 43 Cb 0.00 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 2fur s ILE 43 CO 0.00 -0.19 0.75 -2.16 0.24 0.00 0.00 174.94 173.58 2fur s PRO 44 N -2.73 4.48 0.20 0.37 0.04 -1.26 -1.10 135.00 135.00 2fur s PRO 44 Ca 0.19 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.37 2fur s PRO 44 Cb -0.07 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2fur s PRO 44 CO 0.09 0.31 -0.14 0.71 0.04 0.00 0.00 177.00 178.01 2fur s TYR 45 N -0.14 2.51 -0.04 0.56 1.51 -0.47 -4.98 117.35 116.30 2fur s TYR 45 Ca 0.38 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2fur s TYR 45 Cb -0.20 -1.21 0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2fur s TYR 45 CO 0.23 0.53 0.04 0.00 -1.11 0.00 0.00 175.55 175.24 2fur s ALA 46 N -1.80 0.29 0.01 3.71 0.00 -1.26 -2.13 121.76 120.57 2fur s ALA 46 Ca 0.24 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.39 2fur s ALA 46 Cb -0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2fur s ALA 46 CO 0.14 -0.38 -0.11 0.96 0.00 0.00 0.00 175.76 176.37 2fur s ILE 47 N 1.85 0.83 0.67 0.00 -4.36 -0.11 -4.94 121.20 115.13 2fur s ILE 47 Ca 0.01 -0.60 -0.12 0.00 -0.26 0.00 0.00 60.65 59.68 2fur s ILE 47 Cb -0.12 -0.72 -0.00 0.00 1.25 0.00 0.00 42.46 42.86 2fur s ILE 47 CO -0.03 0.13 1.06 -2.16 0.24 0.00 0.00 174.94 174.17 2fur s PRO 48 N -0.53 3.04 -0.34 0.37 0.04 -1.26 -1.10 135.00 135.22 2fur s PRO 48 Ca 0.02 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.07 2fur s PRO 48 Cb -0.05 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.67 2fur s PRO 48 CO 0.00 -1.02 0.83 -1.17 0.04 0.00 0.00 177.00 175.68 2fur s LEU 51 N -5.26 -0.97 0.31 -3.56 2.96 0.53 -4.92 118.68 107.77 2fur s LEU 51 Ca 0.60 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 54.03 2fur s LEU 51 Cb -0.14 1.40 -0.10 0.00 0.50 0.00 0.00 46.19 47.84 2fur s LEU 51 CO 0.50 -0.14 0.90 0.00 -1.32 0.00 0.00 176.35 176.29 2fur s ALA 52 N 2.33 3.24 0.18 5.97 0.00 -1.11 -4.55 121.76 127.82 2fur s ALA 52 Ca 0.17 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 2fur s ALA 52 Cb -0.03 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.02 2fur s ALA 52 CO -0.17 0.20 0.55 -1.54 0.00 0.00 0.00 175.76 174.80 2fur s SER 53 N -1.64 -0.36 -0.19 0.00 1.04 -1.26 -0.87 113.70 110.42 2fur s SER 53 Ca 0.49 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.56 2fur s SER 53 Cb -0.18 0.58 0.09 0.00 0.10 0.00 0.00 66.02 66.62 2fur s SER 53 CO 0.23 -1.02 0.38 -0.70 0.98 0.00 0.00 173.24 173.11 2fur s GLU 54 N -3.82 0.29 7.09 4.02 2.12 -0.64 -4.90 118.70 122.86 2fur s GLU 54 Ca 0.05 0.88 0.00 0.00 0.36 0.00 0.00 54.97 56.27 2fur s GLU 54 Cb -0.01 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.48 2fur s GLU 54 CO -0.07 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 2fur n GLY 55 N 5.38 3.16 0.17 -1.50 0.00 -1.26 -2.05 105.19 109.08 2fur n GLY 55 Ca -0.07 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2fur n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fur n LYS 56 N 13.85 0.72 -2.99 1.61 5.02 -1.26 -4.74 118.16 130.37 2fur n LYS 56 Ca 0.00 -0.34 -0.40 0.00 -2.02 0.00 0.00 58.31 55.56 2fur n LYS 56 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 2fur n LYS 56 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2fur s THR 57 N -2.51 4.82 -0.10 -0.18 2.01 -0.87 -4.33 115.64 114.48 2fur s THR 57 Ca 0.26 1.60 -0.01 0.00 0.31 0.00 0.00 61.69 63.85 2fur s THR 57 Cb 0.20 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2fur s THR 57 CO 0.50 0.33 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.08 2fur s ILE 58 N 0.19 3.85 -0.14 1.82 1.01 -0.47 -1.61 121.20 125.85 2fur s ILE 58 Ca 0.39 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2fur s ILE 58 Cb -0.20 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.66 2fur s ILE 58 CO 0.22 0.57 -0.19 -0.31 0.00 0.00 0.00 174.94 175.23 2fur s TYR 59 N -0.48 2.71 0.02 3.97 2.02 -0.05 0.09 117.35 125.62 2fur s TYR 59 Ca 0.08 -1.11 0.03 0.00 -0.37 0.00 0.00 57.07 55.70 2fur s TYR 59 Cb -0.12 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2fur s TYR 59 CO 0.02 -0.49 -0.05 -0.51 -1.57 0.00 0.00 175.55 172.96 2fur s LEU 60 N 0.70 3.27 0.12 -1.29 1.43 -0.02 -2.76 118.68 120.13 2fur s LEU 60 Ca -0.09 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2fur s LEU 60 Cb -0.16 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2fur s LEU 60 CO 0.01 0.27 0.01 -1.38 0.23 0.00 0.00 176.35 175.49 2fur s HIS 61 N -1.06 0.89 -2.16 0.29 -3.43 -1.26 -0.68 115.29 107.89 2fur s HIS 61 Ca 0.19 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.33 2fur s HIS 61 Cb -0.11 -0.52 0.00 0.00 -1.43 0.00 0.00 32.58 30.52 2fur s HIS 61 CO 0.09 -0.37 0.00 0.41 -2.00 0.00 0.00 174.74 172.87 2fur n GLY 62 N -0.09 -0.96 0.00 -1.38 0.00 -1.09 -4.99 105.19 96.69 2fur n GLY 62 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2fur n GLY 62 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fur n SER 63 N 0.71 0.00 0.00 1.61 2.88 -1.26 -0.53 113.62 117.03 2fur n SER 63 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2fur n SER 63 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2fur n SER 63 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2fur n LYS 65 N 0.00 0.00 -3.28 -1.46 5.02 -1.26 -4.62 118.16 112.56 2fur n LYS 65 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2fur n LYS 65 Cb 0.00 -0.64 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 2fur n LYS 65 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2fur s SER 66 N 0.00 6.49 0.24 4.39 0.01 -1.26 -5.02 113.70 118.55 2fur s SER 66 Ca 0.00 0.81 -0.05 0.00 1.31 0.00 0.00 55.95 58.02 2fur s SER 66 Cb 0.00 -2.18 0.37 0.00 0.21 0.00 0.00 66.02 64.42 2fur s SER 66 CO 0.00 -0.20 1.83 0.08 0.41 0.00 0.00 173.24 175.35 2fur h ARG 67 N 1.77 0.84 -0.39 12.44 -0.00 -2.02 -1.93 114.38 125.09 2fur h ARG 67 Ca -0.47 -0.05 0.04 0.00 -0.00 0.00 0.00 59.98 59.50 2fur h ARG 67 Cb 1.19 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.97 30.94 2fur h ARG 67 CO 0.66 0.56 0.26 0.97 -0.00 0.00 0.00 179.97 182.42 2fur h ILE 68 N 0.87 1.00 0.03 0.08 6.09 -1.95 -2.43 117.51 121.20 2fur h ILE 68 Ca 0.39 -0.13 0.03 0.00 -1.37 0.00 0.00 64.86 63.78 2fur h ILE 68 Cb 0.28 0.60 -0.04 0.00 0.47 0.00 0.00 36.82 38.13 2fur h ILE 68 CO -0.22 0.07 -0.24 0.22 -3.07 0.00 0.00 178.15 174.91 2fur h TYR 69 N 0.37 -0.64 -0.97 2.19 3.20 -1.60 0.09 116.97 119.60 2fur h TYR 69 Ca 0.16 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.11 2fur h TYR 69 Cb 0.19 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 2fur h TYR 69 CO -0.00 -0.33 0.63 0.78 -1.64 0.00 0.00 178.16 177.60 2fur h GLY 70 N -0.39 1.44 0.97 1.82 0.00 -1.55 0.13 103.07 105.49 2fur h GLY 70 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2fur h GLY 70 CO -0.20 0.36 -0.10 -2.22 0.00 0.00 0.00 176.54 174.39 2fur h ILE 71 N 1.17 0.81 -0.37 2.60 5.03 -0.96 -2.80 117.51 123.00 2fur h ILE 71 Ca 0.41 -0.07 -0.06 0.00 -0.12 0.00 0.00 64.86 65.02 2fur h ILE 71 Cb 0.10 0.86 -0.02 0.00 -3.03 0.00 0.00 36.82 34.73 2fur h ILE 71 CO -0.14 0.02 -0.02 -0.07 -0.68 0.00 0.00 178.15 177.25 2fur h LEU 72 N -0.31 0.56 -1.79 1.44 3.38 -0.64 -2.35 115.31 115.59 2fur h LEU 72 Ca -0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2fur h LEU 72 Cb 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2fur h LEU 72 CO 0.05 0.64 -0.14 0.50 0.09 0.00 0.00 178.44 179.58 2fur h LYS 73 N 0.56 0.00 -0.28 1.13 3.64 -0.64 -1.87 116.57 119.11 2fur h LYS 73 Ca 0.11 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2fur h LYS 73 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2fur h LYS 73 CO 0.02 0.14 0.19 1.79 -2.27 0.00 0.00 179.45 179.32 2fur h THR 74 N 0.00 0.93 -0.00 1.00 1.35 -1.15 -3.46 112.91 111.57 2fur h THR 74 Ca -0.00 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2fur h THR 74 Cb 0.26 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2fur h THR 74 CO 0.02 0.02 -0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2fur n GLY 75 N -1.56 0.47 3.71 5.82 0.00 -0.70 -5.03 105.19 107.91 2fur n GLY 75 Ca 0.03 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2fur n GLY 75 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fur s GLN 76 N -0.25 1.73 0.19 1.61 -2.07 -1.26 -4.43 119.66 115.17 2fur s GLN 76 Ca 0.00 1.56 -0.32 0.00 -1.82 0.00 0.00 55.36 54.78 2fur s GLN 76 Cb 0.00 -1.81 -0.11 0.00 -1.09 0.00 0.00 33.01 30.00 2fur s GLN 76 CO 0.00 -2.10 1.65 -1.17 -1.32 0.00 0.00 175.29 172.35 2fur s LEU 77 N -5.87 4.37 0.22 2.60 2.96 -1.26 -4.29 118.68 117.41 2fur s LEU 77 Ca 0.69 2.75 0.11 0.00 -0.22 0.00 0.00 54.13 57.47 2fur s LEU 77 Cb -0.24 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 2fur s LEU 77 CO 0.52 -0.91 -0.22 0.27 -1.32 0.00 0.00 176.35 174.69 2fur s ILE 78 N 1.18 2.37 -0.20 6.68 -4.36 -0.40 -4.70 121.20 121.77 2fur s ILE 78 Ca 0.73 -2.16 -0.04 0.00 -0.26 0.00 0.00 60.65 58.91 2fur s ILE 78 Cb -0.47 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 2fur s ILE 78 CO 0.32 -0.23 -0.02 0.00 0.24 0.00 0.00 174.94 175.25 2fur s ALA 79 N -1.99 2.93 -0.21 2.27 0.00 -0.13 -2.07 121.76 122.56 2fur s ALA 79 Ca 0.24 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 2fur s ALA 79 Cb -0.07 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 2fur s ALA 79 CO 0.11 -0.23 -0.00 0.42 0.00 0.00 0.00 175.76 176.06 2fur s ILE 80 N 1.15 3.88 0.17 0.00 1.01 0.15 0.13 121.20 127.68 2fur s ILE 80 Ca 0.02 -0.33 0.11 0.00 0.00 0.00 0.00 60.65 60.45 2fur s ILE 80 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2fur s ILE 80 CO 0.00 0.42 -0.23 -0.94 0.00 0.00 0.00 174.94 174.19 2fur s SER 81 N 1.15 3.21 0.01 3.58 1.04 0.13 -0.63 113.70 122.18 2fur s SER 81 Ca 0.03 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.67 2fur s SER 81 Cb -0.14 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 2fur s SER 81 CO 0.01 0.10 -0.10 -0.76 0.98 0.00 0.00 173.24 173.47 2fur s LEU 82 N -2.46 2.07 -0.04 2.42 1.02 -0.57 -1.22 118.68 119.89 2fur s LEU 82 Ca 0.17 -0.26 -0.02 0.00 0.02 0.00 0.00 54.13 54.05 2fur s LEU 82 Cb -0.08 -0.50 0.03 0.00 0.02 0.00 0.00 46.19 45.67 2fur s LEU 82 CO 0.08 0.08 0.08 -0.22 0.02 0.00 0.00 176.35 176.39 2fur s LEU 83 N -0.51 0.66 -0.13 1.79 2.96 -1.26 -1.06 118.68 121.14 2fur s LEU 83 Ca 0.02 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 2fur s LEU 83 Cb -0.05 0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.74 2fur s LEU 83 CO 0.00 -0.17 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.08 2fur s GLU 84 N 1.45 2.43 -0.24 1.98 2.02 0.79 -4.99 118.70 122.14 2fur s GLU 84 Ca -0.05 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 2fur s GLU 84 Cb -0.12 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 2fur s GLU 84 CO -0.04 -0.09 0.06 0.42 0.02 0.00 0.00 175.26 175.62 2fur s ILE 85 N 1.06 4.25 -0.05 -1.63 -1.09 -1.26 -0.30 121.20 122.19 2fur s ILE 85 Ca -0.04 -0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2fur s ILE 85 Cb -0.15 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 2fur s ILE 85 CO -0.04 0.36 0.09 0.59 -1.23 0.00 0.00 174.94 174.71 2fur n ASN 86 N 4.79 3.13 -3.62 3.58 3.02 -0.08 -4.82 115.26 121.26 2fur n ASN 86 Ca -0.16 -0.16 -0.05 0.00 -0.03 0.00 0.00 54.58 54.18 2fur n ASN 86 Cb 0.51 1.11 -0.05 0.00 -0.61 0.00 0.00 39.78 40.75 2fur n ASN 86 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2fur s GLY 87 N -2.10 -0.03 -0.25 7.41 0.00 -1.06 -0.98 107.32 110.31 2fur s GLY 87 Ca -0.01 2.58 -0.15 0.00 0.00 0.00 0.00 44.72 47.14 2fur s GLY 87 CO 0.14 1.11 0.37 -0.42 0.00 0.00 0.00 173.10 174.31 2fur s ILE 88 N -1.01 5.19 -0.46 0.90 1.01 -0.23 -0.95 121.20 125.65 2fur s ILE 88 Ca 0.05 0.60 -0.18 0.00 0.00 0.00 0.00 60.65 61.12 2fur s ILE 88 Cb -0.01 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2fur s ILE 88 CO -0.05 0.19 0.53 -0.69 0.00 0.00 0.00 174.94 174.92 2fur s VAL 89 N 1.81 4.99 -0.54 2.92 1.01 0.07 -0.60 120.40 130.05 2fur s VAL 89 Ca 0.16 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 2fur s VAL 89 Cb -0.15 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.17 2fur s VAL 89 CO 0.09 -0.61 0.55 -0.76 0.00 0.00 0.00 175.10 174.37 2fur s LEU 90 N 2.36 5.80 0.54 3.92 1.43 -0.32 -0.84 118.68 131.56 2fur s LEU 90 Ca 0.14 -1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 51.63 2fur s LEU 90 Cb -0.18 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2fur s LEU 90 CO 0.13 -0.90 0.85 0.00 0.23 0.00 0.00 176.35 176.66 2fur s ALA 91 N 1.97 3.36 0.33 4.21 0.00 -1.26 -1.13 121.76 129.23 2fur s ALA 91 Ca 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2fur s ALA 91 Cb -0.27 -2.59 0.58 0.00 0.00 0.00 0.00 23.12 20.84 2fur s ALA 91 CO 0.05 -0.60 1.89 0.87 0.00 0.00 0.00 175.76 177.97 2fur h LYS 92 N 0.01 0.62 -5.30 0.00 1.57 -1.89 -3.41 116.57 108.16 2fur h LYS 92 Ca -0.46 -0.11 -0.60 0.00 -1.87 0.00 0.00 60.65 57.61 2fur h LYS 92 Cb 1.23 -0.10 -0.12 0.00 0.08 0.00 0.00 32.23 33.32 2fur h LYS 92 CO 0.61 0.58 -0.43 -1.21 -0.57 0.00 0.00 179.45 178.43 2fur s GLU 93 N -5.12 4.19 0.32 3.15 2.02 -1.26 -5.00 118.70 116.99 2fur s GLU 93 Ca -0.08 -0.12 0.09 0.00 0.02 0.00 0.00 54.97 54.88 2fur s GLU 93 Cb 0.16 -3.45 0.89 0.00 0.10 0.00 0.00 34.13 31.83 2fur s GLU 93 CO 0.77 0.22 1.71 0.82 0.02 0.00 0.00 175.26 178.79 2fur h ILE 94 N 4.76 0.47 0.00 -1.63 1.08 -2.00 0.83 117.51 121.02 2fur h ILE 94 Ca -0.40 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2fur h ILE 94 Cb 1.16 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2fur h ILE 94 CO 0.74 0.09 -0.02 0.07 -0.69 0.00 0.00 178.15 178.34 2fur h LYS 95 N 0.48 0.00 -0.14 2.37 2.10 -1.94 -2.56 116.57 116.88 2fur h LYS 95 Ca 0.64 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 2fur h LYS 95 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2fur h LYS 95 CO -0.52 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 177.04 2fur n ASN 96 N -3.12 2.03 -4.74 7.07 3.02 0.28 -4.95 115.26 114.84 2fur n ASN 96 Ca 0.00 -1.72 -0.35 0.00 -0.03 0.00 0.00 54.58 52.48 2fur n ASN 96 Cb 0.30 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.44 2fur n ASN 96 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2fur s ASN 97 N -1.74 4.77 0.19 6.41 0.01 -0.97 -4.51 114.94 119.11 2fur s ASN 97 Ca 0.34 2.30 -0.07 0.00 -0.71 0.00 0.00 52.86 54.72 2fur s ASN 97 Cb 0.20 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.30 2fur s ASN 97 CO 0.30 -1.87 0.37 -0.24 -1.51 0.00 0.00 177.10 174.15 2fur n SER 98 N -2.22 -1.09 -3.95 -1.22 2.88 -0.02 -4.99 113.62 103.01 2fur n SER 98 Ca 0.13 -1.79 -0.24 0.00 -1.33 0.00 0.00 58.87 55.63 2fur n SER 98 Cb 0.50 1.83 -0.17 0.00 -0.75 0.00 0.00 64.21 65.62 2fur n SER 98 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2fur s ILE 99 N -2.57 0.95 0.05 2.46 -1.09 -1.26 -0.75 121.20 118.99 2fur s ILE 99 Ca 0.08 -0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 57.88 2fur s ILE 99 Cb -0.02 -0.92 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 2fur s ILE 99 CO 0.06 0.33 0.94 0.20 -1.23 0.00 0.00 174.94 175.24 2fur s ASN 100 N 1.06 7.40 0.15 3.58 0.01 -0.12 -4.66 114.94 122.35 2fur s ASN 100 Ca -0.08 1.68 -0.24 0.00 -0.71 0.00 0.00 52.86 53.51 2fur s ASN 100 Cb -0.14 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.02 2fur s ASN 100 CO -0.01 -0.15 0.80 -0.72 -1.51 0.00 0.00 177.10 175.52 2fur s TYR 101 N 0.47 -0.28 -0.01 2.20 1.13 -0.70 -0.90 117.35 119.25 2fur s TYR 101 Ca 0.48 -0.00 0.02 0.00 -1.41 0.00 0.00 57.07 56.16 2fur s TYR 101 Cb -0.22 0.62 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 2fur s TYR 101 CO 0.28 -0.88 -0.06 0.08 -2.51 0.00 0.00 175.55 172.46 2fur s VAL 102 N -3.52 0.52 0.04 -3.49 1.01 0.59 -1.51 120.40 114.05 2fur s VAL 102 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2fur s VAL 102 Cb -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2fur s VAL 102 CO -0.02 0.16 -0.04 -0.94 0.00 0.00 0.00 175.10 174.26 2fur s SER 103 N 0.05 0.47 0.00 3.32 1.04 0.02 -0.15 113.70 118.45 2fur s SER 103 Ca -0.00 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 2fur s SER 103 Cb -0.05 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 2fur s SER 103 CO -0.00 -0.38 0.00 0.00 0.98 0.00 0.00 173.24 173.84 2fur s ALA 104 N -2.28 0.01 -0.15 5.32 0.00 -0.23 -1.94 121.76 122.50 2fur s ALA 104 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2fur s ALA 104 Cb -0.04 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.16 2fur s ALA 104 CO -0.04 -0.08 -0.11 -1.17 0.00 0.00 0.00 175.76 174.37 2fur s LEU 105 N -0.63 1.62 -0.15 0.00 2.96 -0.37 -1.51 118.68 120.60 2fur s LEU 105 Ca -0.07 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2fur s LEU 105 Cb -0.04 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.58 2fur s LEU 105 CO -0.00 -0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.12 2fur s ILE 106 N 1.55 2.40 -0.12 6.68 1.01 0.20 -1.56 121.20 131.36 2fur s ILE 106 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 2fur s ILE 106 Cb -0.13 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 2fur s ILE 106 CO -0.10 0.53 0.21 -0.36 0.00 0.00 0.00 174.94 175.23 2fur s PHE 107 N 0.78 3.57 0.14 3.97 0.08 -0.28 0.31 117.98 126.56 2fur s PHE 107 Ca -0.07 0.60 -0.25 0.00 0.12 0.00 0.00 56.93 57.33 2fur s PHE 107 Cb -0.16 -2.10 0.07 0.00 -0.57 0.00 0.00 43.02 40.26 2fur s PHE 107 CO -0.00 0.57 0.94 0.20 -0.10 0.00 0.00 175.22 176.84 2fur s GLY 108 N -0.59 -0.25 -0.26 4.36 0.00 -0.88 0.70 107.32 110.41 2fur s GLY 108 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.07 2fur s GLY 108 CO 0.05 0.03 -0.08 0.50 0.00 0.00 0.00 173.10 173.60 2fur s ARG 109 N -3.29 2.55 0.52 2.90 0.52 -1.26 -1.27 118.95 119.61 2fur s ARG 109 Ca 0.11 -1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 53.95 2fur s ARG 109 Cb -0.01 -2.95 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 2fur s ARG 109 CO 0.01 -0.49 1.20 -1.25 0.02 0.00 0.00 175.30 174.79 2fur s PRO 110 N 1.22 3.42 0.01 3.54 0.04 -1.26 -4.65 135.00 137.32 2fur s PRO 110 Ca -0.04 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.84 2fur s PRO 110 Cb -0.18 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2fur s PRO 110 CO -0.05 -0.85 -0.04 1.52 0.04 0.00 0.00 177.00 177.62 2fur s TYR 111 N -1.56 0.38 0.30 0.56 -0.85 -0.61 -4.47 117.35 111.08 2fur s TYR 111 Ca 0.70 -0.20 -0.28 0.00 -0.52 0.00 0.00 57.07 56.76 2fur s TYR 111 Cb -0.30 -0.24 -0.09 0.00 0.38 0.00 0.00 41.96 41.71 2fur s TYR 111 CO 0.35 -0.04 1.03 -2.00 -1.52 0.00 0.00 175.55 173.36 2fur s GLU 112 N -0.55 4.60 -0.28 -3.49 2.12 -1.26 -1.25 118.70 118.59 2fur s GLU 112 Ca -0.03 1.60 -0.11 0.00 0.36 0.00 0.00 54.97 56.79 2fur s GLU 112 Cb -0.04 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2fur s GLU 112 CO -0.00 0.24 0.18 0.42 -0.54 0.00 0.00 175.26 175.56 2fur s ILE 113 N -1.32 5.19 -0.07 -3.70 -1.09 0.66 -4.86 121.20 116.02 2fur s ILE 113 Ca 0.47 0.11 0.16 0.00 -2.23 0.00 0.00 60.65 59.15 2fur s ILE 113 Cb -0.27 -3.48 -0.24 0.00 -1.58 0.00 0.00 42.46 36.89 2fur s ILE 113 CO 0.34 0.24 0.26 0.47 -1.23 0.00 0.00 174.94 175.02 2fur n ASP 114 N 5.05 1.15 -4.60 3.58 9.92 -1.26 -4.26 116.55 126.14 2fur n ASP 114 Ca -0.14 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.69 2fur n ASP 114 Cb 0.52 1.46 -0.03 0.00 -0.64 0.00 0.00 41.12 42.43 2fur n ASP 114 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2fur s ASP 115 N -4.28 5.55 0.47 -2.24 -1.08 -1.26 -4.87 116.67 108.97 2fur s ASP 115 Ca -0.07 1.62 0.12 0.00 -0.52 0.00 0.00 52.55 53.70 2fur s ASP 115 Cb 0.09 -2.52 1.09 0.00 -1.46 0.00 0.00 42.92 40.12 2fur s ASP 115 CO 0.68 -1.92 2.10 0.74 0.52 0.00 0.00 175.17 177.29 2fur h THR 116 N 7.05 1.04 -0.23 1.71 2.02 -2.00 -0.84 112.91 121.67 2fur h THR 116 Ca -0.37 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 2fur h THR 116 Cb 1.21 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2fur h THR 116 CO 1.00 0.05 -0.38 -0.08 0.37 0.00 0.00 175.52 176.48 2fur h GLU 117 N 0.26 0.52 -0.11 6.66 4.57 -2.00 -1.67 114.58 122.80 2fur h GLU 117 Ca 0.08 -0.25 -0.15 0.00 -1.18 0.00 0.00 59.36 57.86 2fur h GLU 117 Cb 0.01 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2fur h GLU 117 CO -0.02 0.82 -0.57 0.87 -1.18 0.00 0.00 179.01 178.93 2fur h LYS 118 N 0.43 0.34 -0.35 1.92 1.57 -1.60 -2.18 116.57 116.71 2fur h LYS 118 Ca 0.04 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2fur h LYS 118 Cb 0.86 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 2fur h LYS 118 CO 0.07 0.82 0.08 0.87 -0.57 0.00 0.00 179.45 180.72 2fur h LYS 119 N 0.26 0.20 -0.64 3.15 1.57 -0.85 -1.83 116.57 118.43 2fur h LYS 119 Ca 0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 2fur h LYS 119 Cb 1.08 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 2fur h LYS 119 CO 0.09 0.13 0.29 0.82 -0.57 0.00 0.00 179.45 180.21 2fur h ILE 120 N 0.20 0.83 -0.32 1.86 2.04 -1.13 -1.32 117.51 119.68 2fur h ILE 120 Ca 0.17 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2fur h ILE 120 Cb 0.18 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2fur h ILE 120 CO -0.21 0.09 0.09 -0.08 0.00 0.00 0.00 178.15 178.04 2fur h GLU 121 N 0.50 0.46 -0.22 2.37 4.57 -0.99 -0.43 114.58 120.85 2fur h GLU 121 Ca 0.31 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 58.26 2fur h GLU 121 Cb 0.34 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2fur h GLU 121 CO -0.27 0.42 -0.54 0.28 -1.18 0.00 0.00 179.01 177.72 2fur h VAL 122 N 0.46 1.31 -0.26 0.32 2.07 -0.44 -0.26 116.25 119.44 2fur h VAL 122 Ca 0.11 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.80 2fur h VAL 122 Cb 0.16 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2fur h VAL 122 CO -0.01 0.56 -0.14 -0.26 0.02 0.00 0.00 177.57 177.74 2fur h PHE 123 N 0.49 0.48 -0.32 1.57 -1.00 -0.63 -1.64 116.94 115.90 2fur h PHE 123 Ca 0.01 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 2fur h PHE 123 Cb 1.09 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.51 2fur h PHE 123 CO 0.05 0.58 0.07 -0.09 -1.61 0.00 0.00 178.31 177.31 2fur h ARG 124 N 0.42 0.51 -0.84 1.51 2.43 -0.50 -1.37 114.38 116.54 2fur h ARG 124 Ca 0.08 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2fur h ARG 124 Cb 0.50 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 2fur h ARG 124 CO 0.03 0.58 0.51 -0.07 -1.51 0.00 0.00 179.97 179.51 2fur h LEU 125 N 0.35 0.78 -0.11 3.80 3.38 -0.86 -1.28 115.31 121.36 2fur h LEU 125 Ca 0.10 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2fur h LEU 125 Cb 0.30 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2fur h LEU 125 CO 0.00 0.49 -0.01 0.25 0.09 0.00 0.00 178.44 179.26 2fur h LEU 126 N 0.91 0.21 -0.77 1.67 5.85 -1.21 -2.31 115.31 119.67 2fur h LEU 126 Ca 0.37 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2fur h LEU 126 Cb 0.22 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2fur h LEU 126 CO -0.19 0.50 0.38 0.74 -0.34 0.00 0.00 178.44 179.53 2fur h THR 127 N -0.09 1.24 0.00 1.05 2.02 -1.11 -1.80 112.91 114.22 2fur h THR 127 Ca 0.03 -0.65 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 2fur h THR 127 Cb 0.40 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2fur h THR 127 CO 0.01 0.28 -0.31 -0.33 0.37 0.00 0.00 175.52 175.53 2fur h GLU 128 N 1.07 0.00 -0.49 6.66 4.39 -1.23 -0.99 114.58 123.99 2fur h GLU 128 Ca 0.26 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 2fur h GLU 128 Cb 0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2fur h GLU 128 CO -0.04 0.31 -0.17 0.87 -1.16 0.00 0.00 179.01 178.83 2fur h LYS 129 N 0.00 0.97 0.13 2.33 1.57 -1.00 -3.26 116.57 117.31 2fur h LYS 129 Ca -0.00 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2fur h LYS 129 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2fur h LYS 129 CO 0.04 1.05 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.84 2fur h LEU 130 N 0.85 -0.15 -6.25 2.94 3.38 -0.97 -3.45 115.31 111.66 2fur h LEU 130 Ca 0.12 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 2fur h LEU 130 Cb 0.73 0.04 -0.27 0.00 0.09 0.00 0.00 40.66 41.25 2fur h LEU 130 CO 0.06 0.39 -0.51 -0.69 0.09 0.00 0.00 178.44 177.77 2fur s VAL 131 N -3.75 -0.70 0.08 1.22 1.01 -0.41 -5.12 120.40 112.74 2fur s VAL 131 Ca -0.14 -0.27 -0.34 0.00 0.00 0.00 0.00 61.98 61.23 2fur s VAL 131 Cb 0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 36.38 35.32 2fur s VAL 131 CO 0.55 -0.24 1.66 1.17 0.00 0.00 0.00 175.10 178.24 2fur n LYS 132 N 5.27 2.12 -0.02 2.72 3.00 -1.23 -2.01 118.16 128.02 2fur n LYS 132 Ca 0.02 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 2fur n LYS 132 Cb 0.50 -2.56 0.00 0.00 0.00 0.00 0.00 35.03 32.97 2fur n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2fur n GLY 133 N 3.68 0.62 0.21 3.14 0.00 -1.26 -4.85 105.19 106.73 2fur n GLY 133 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2fur n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2fur h ARG 134 N 3.68 0.70 -0.68 1.61 9.65 -1.72 -3.28 114.38 124.33 2fur h ARG 134 Ca 0.00 -0.60 0.09 0.00 -1.10 0.00 0.00 59.98 58.37 2fur h ARG 134 Cb 0.00 0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 28.65 2fur h ARG 134 CO 0.00 1.21 0.33 2.35 2.80 0.00 0.00 179.97 186.67 2fur h TRP 135 N 0.46 0.60 0.00 2.20 2.91 -1.87 -1.38 115.95 118.87 2fur h TRP 135 Ca -0.06 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 2fur h TRP 135 Cb 1.44 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.92 2fur h TRP 135 CO 0.08 0.22 -0.12 -0.44 -1.03 0.00 0.00 178.44 177.15 2fur h ASP 136 N 0.58 0.00 -0.34 2.65 3.32 -1.97 -3.17 116.42 117.49 2fur h ASP 136 Ca 0.33 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 2fur h ASP 136 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 2fur h ASP 136 CO -0.26 0.12 0.02 0.59 -1.72 0.00 0.00 179.24 177.99 2fur n ASN 137 N -3.41 3.69 -4.18 6.45 3.02 -0.55 -5.01 115.26 115.27 2fur n ASN 137 Ca -0.01 -3.21 -0.15 0.00 -0.03 0.00 0.00 54.58 51.18 2fur n ASN 137 Cb 0.30 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.78 2fur n ASN 137 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2fur s SER 138 N -1.96 0.82 -0.29 6.41 0.15 -1.00 -5.05 113.70 112.78 2fur s SER 138 Ca 0.44 -1.43 -0.24 0.00 0.70 0.00 0.00 55.95 55.42 2fur s SER 138 Cb 0.37 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2fur s SER 138 CO 0.07 -0.82 0.83 -0.63 1.20 0.00 0.00 173.24 173.90 2fur s ILE 139 N -3.89 4.78 0.42 6.45 1.01 -1.26 -4.97 121.20 123.73 2fur s ILE 139 Ca 0.38 1.38 -0.11 0.00 0.00 0.00 0.00 60.65 62.29 2fur s ILE 139 Cb 0.07 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 2fur s ILE 139 CO 0.14 -0.21 0.80 -0.54 0.00 0.00 0.00 174.94 175.12 2fur s LYS 140 N 2.99 3.80 0.39 2.79 1.02 -1.26 -5.02 119.74 124.45 2fur s LYS 140 Ca 0.35 0.53 -0.26 0.00 0.02 0.00 0.00 55.97 56.61 2fur s LYS 140 Cb -0.14 -2.36 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 2fur s LYS 140 CO 0.11 -0.07 1.17 -1.25 -0.92 0.00 0.00 175.35 174.39 2fur s PRO 141 N -3.88 4.12 0.41 -1.68 0.04 -1.26 -5.04 135.00 127.72 2fur s PRO 141 Ca 0.52 1.84 -0.00 0.00 0.04 0.00 0.00 61.00 63.40 2fur s PRO 141 Cb -0.10 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2fur s PRO 141 CO 0.31 -0.26 0.63 -1.54 0.04 0.00 0.00 177.00 176.19 2fur s SER 142 N -1.10 6.07 0.41 6.66 1.04 -1.26 -4.97 113.70 120.55 2fur s SER 142 Ca 0.56 0.42 0.07 0.00 0.48 0.00 0.00 55.95 57.48 2fur s SER 142 Cb -0.31 -1.82 0.84 0.00 0.10 0.00 0.00 66.02 64.84 2fur s SER 142 CO 0.39 -0.52 2.04 0.10 0.98 0.00 0.00 173.24 176.23 2fur h TYR 143 N 0.52 0.50 -0.88 5.02 -0.00 -1.97 -0.49 116.97 119.66 2fur h TYR 143 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.24 2fur h TYR 143 Cb 1.23 -0.16 -0.04 0.00 0.00 0.00 0.00 36.73 37.76 2fur h TYR 143 CO 0.49 0.34 0.47 0.93 -0.00 0.00 0.00 178.16 180.39 2fur h GLU 144 N 0.53 1.24 -0.23 0.10 3.07 -1.97 -2.35 114.58 114.96 2fur h GLU 144 Ca 0.14 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 2fur h GLU 144 Cb -0.01 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 2fur h GLU 144 CO -0.03 0.91 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.97 2fur h ASP 145 N 1.24 0.34 -0.03 1.42 3.32 -1.49 -2.91 116.42 118.31 2fur h ASP 145 Ca 0.31 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2fur h ASP 145 Cb 0.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2fur h ASP 145 CO -0.05 0.46 0.00 0.18 -1.72 0.00 0.00 179.24 178.12 2fur n LEU 146 N -4.27 1.68 -4.67 1.55 4.77 -0.82 -4.72 117.00 110.51 2fur n LEU 146 Ca 0.00 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 2fur n LEU 146 Cb 0.26 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2fur n LEU 146 CO 0.38 0.29 1.42 0.21 -1.33 0.00 0.00 177.39 178.36 2fur s ASN 147 N -1.96 6.60 0.00 -1.43 3.84 -0.92 -2.38 114.94 118.69 2fur s ASN 147 Ca 0.37 2.39 0.00 0.00 0.21 0.00 0.00 52.86 55.82 2fur s ASN 147 Cb 0.21 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 2fur s ASN 147 CO 0.33 -0.95 0.00 0.61 -2.79 0.00 0.00 177.10 174.30 2fur n GLY 148 N 4.20 0.77 3.64 1.21 0.00 -1.26 -5.04 105.19 108.72 2fur n GLY 148 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2fur n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fur s VAL 149 N -3.06 5.34 0.34 1.61 1.01 -1.00 -4.47 120.40 120.17 2fur s VAL 149 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2fur s VAL 149 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 2fur s VAL 149 CO 0.00 0.31 0.69 0.72 0.00 0.00 0.00 175.10 176.82 2fur s PHE 150 N 1.30 3.45 -0.04 5.22 -0.12 0.31 -4.94 117.98 123.15 2fur s PHE 150 Ca 0.08 0.95 0.01 0.00 -0.05 0.00 0.00 56.93 57.91 2fur s PHE 150 Cb -0.14 -2.35 0.02 0.00 -0.63 0.00 0.00 43.02 39.92 2fur s PHE 150 CO 0.07 0.03 -0.04 0.08 -0.05 0.00 0.00 175.22 175.31 2fur s VAL 151 N -2.18 0.53 -0.06 -2.49 1.01 -1.26 -2.67 120.40 113.28 2fur s VAL 151 Ca 0.49 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2fur s VAL 151 Cb -0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 2fur s VAL 151 CO 0.28 0.22 -0.24 -0.36 0.00 0.00 0.00 175.10 175.00 2fur s PHE 152 N 0.92 2.47 0.01 5.22 0.40 0.14 -0.24 117.98 126.91 2fur s PHE 152 Ca -0.11 -0.69 -0.19 0.00 -0.60 0.00 0.00 56.93 55.34 2fur s PHE 152 Cb -0.14 -1.61 -0.06 0.00 0.51 0.00 0.00 43.02 41.72 2fur s PHE 152 CO 0.00 -0.19 0.54 0.00 0.70 0.00 0.00 175.22 176.27 2fur s ALA 153 N -0.17 3.56 -0.20 5.36 0.00 -0.38 -0.84 121.76 129.09 2fur s ALA 153 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2fur s ALA 153 Cb -0.14 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.40 2fur s ALA 153 CO 0.04 0.29 -0.02 0.08 0.00 0.00 0.00 175.76 176.14 2fur s VAL 154 N -0.60 1.04 0.06 0.00 1.01 0.11 -1.58 120.40 120.44 2fur s VAL 154 Ca 0.28 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2fur s VAL 154 Cb -0.18 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2fur s VAL 154 CO 0.16 -0.07 0.30 -0.54 0.00 0.00 0.00 175.10 174.96 2fur s LYS 155 N 1.63 3.59 -0.04 2.72 1.02 -1.26 -1.37 119.74 126.04 2fur s LYS 155 Ca -0.02 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.57 2fur s LYS 155 Cb -0.17 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 34.07 2fur s LYS 155 CO -0.07 0.59 1.62 -2.14 -0.92 0.00 0.00 175.35 174.43 2fur s PRO 156 N -2.09 4.19 0.00 -1.68 0.02 -1.26 -4.35 135.00 129.83 2fur s PRO 156 Ca 0.32 2.18 -0.24 0.00 0.02 0.00 0.00 61.00 63.28 2fur s PRO 156 Cb -0.13 -3.89 -0.18 0.00 0.02 0.00 0.00 34.50 30.31 2fur s PRO 156 CO 0.20 -0.80 1.32 1.49 -0.33 0.00 0.00 177.00 178.87 2fur h GLU 157 N 9.20 0.09 -3.67 5.54 4.81 -0.10 -3.47 114.58 126.98 2fur h GLU 157 Ca -0.39 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 2fur h GLU 157 Cb 1.18 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.42 2fur h GLU 157 CO 0.95 0.52 -0.26 0.95 -0.73 0.00 0.00 179.01 180.44 2fur s THR 158 N -4.39 0.11 0.12 0.32 -4.23 -1.19 -5.03 115.64 101.34 2fur s THR 158 Ca -0.15 -0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.22 2fur s THR 158 Cb 0.03 -1.34 0.03 0.00 1.34 0.00 0.00 72.50 72.55 2fur s THR 158 CO 0.69 -0.49 0.35 0.72 -0.54 0.00 0.00 174.62 175.36 2fur s PHE 159 N -3.85 -0.10 0.00 3.99 -0.71 -1.26 -1.13 117.98 114.91 2fur s PHE 159 Ca 0.06 -0.24 0.00 0.00 -1.04 0.00 0.00 56.93 55.70 2fur s PHE 159 Cb 0.04 0.18 0.00 0.00 -1.21 0.00 0.00 43.02 42.03 2fur s PHE 159 CO -0.10 -0.67 0.00 -1.13 -1.34 0.00 0.00 175.22 171.98 2fur n SER 160 N -0.19 0.00 -3.63 1.98 3.41 -0.60 -5.01 113.62 109.58 2fur n SER 160 Ca -0.15 -0.66 -0.03 0.00 -0.26 0.00 0.00 58.87 57.77 2fur n SER 160 Cb 0.63 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 2fur n SER 160 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fur s LYS 162 N -0.97 0.13 -0.03 4.33 1.02 -0.82 -1.23 119.74 122.17 2fur s LYS 162 Ca 0.00 -0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 2fur s LYS 162 Cb 0.00 0.06 0.08 0.00 -0.52 0.00 0.00 37.83 37.45 2fur s LYS 162 CO 0.00 -0.05 0.72 0.00 -0.92 0.00 0.00 175.35 175.09 2fur s ALA 163 N -2.00 -1.76 -0.01 5.17 0.00 -1.26 -0.80 121.76 121.10 2fur s ALA 163 Ca 0.10 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2fur s ALA 163 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2fur s ALA 163 CO -0.04 -0.45 -0.14 0.50 0.00 0.00 0.00 175.76 175.64 2fur s ARG 164 N -1.71 1.10 0.09 0.00 3.52 -0.57 -4.95 118.95 116.43 2fur s ARG 164 Ca -0.07 -0.51 -0.06 0.00 -0.13 0.00 0.00 55.73 54.96 2fur s ARG 164 Cb -0.00 -1.06 -0.01 0.00 -1.56 0.00 0.00 34.95 32.31 2fur s ARG 164 CO 0.04 0.29 0.14 -0.08 -0.81 0.00 0.00 175.30 174.88 2fur s THR 165 N -0.36 0.15 0.00 4.11 -1.32 -1.26 -1.72 115.64 115.24 2fur s THR 165 Ca 0.05 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.14 2fur s THR 165 Cb -0.05 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 2fur s THR 165 CO -0.00 -0.69 0.00 0.61 -2.21 0.00 0.00 174.62 172.33 2fur n GLY 166 N -0.04 -3.40 3.77 6.08 0.00 -1.26 -5.02 105.19 105.33 2fur n GLY 166 Ca -0.14 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 2fur n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fur s PRO 167 N -0.83 1.04 0.86 1.61 0.04 -1.26 -4.94 135.00 131.52 2fur s PRO 167 Ca 0.00 0.30 -0.10 0.00 0.04 0.00 0.00 61.00 61.24 2fur s PRO 167 Cb 0.00 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.82 2fur s PRO 167 CO 0.00 -2.27 1.12 -1.25 0.04 0.00 0.00 177.00 174.65 2fur s PRO 168 N -5.25 1.53 -0.48 0.56 0.04 -1.26 -4.99 135.00 125.14 2fur s PRO 168 Ca 0.64 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 2fur s PRO 168 Cb -0.15 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.70 2fur s PRO 168 CO 0.54 -2.23 0.39 -1.01 0.04 0.00 0.00 177.00 174.73 2fur s HIS 169 N -2.76 3.32 0.10 0.56 3.76 -1.26 -5.04 115.29 113.98 2fur s HIS 169 Ca 0.64 -1.46 -0.06 0.00 -0.15 0.00 0.00 55.06 54.04 2fur s HIS 169 Cb -0.20 -3.43 -0.05 0.00 1.11 0.00 0.00 32.58 30.00 2fur s HIS 169 CO 0.57 -0.94 0.35 -0.51 -0.85 0.00 0.00 174.74 173.37 2fur s ASP 170 N 2.84 6.51 -0.15 1.40 1.01 -1.26 -4.88 116.67 122.14 2fur s ASP 170 Ca 0.04 0.61 0.16 0.00 0.71 0.00 0.00 52.55 54.06 2fur s ASP 170 Cb -0.26 -2.10 0.32 0.00 1.01 0.00 0.00 42.92 41.89 2fur s ASP 170 CO 0.02 0.12 1.17 0.35 0.21 0.00 0.00 175.17 177.04 2fur n THR 171 N 0.43 1.87 -3.76 -1.27 -2.24 -1.26 -5.07 114.28 102.98 2fur n THR 171 Ca -0.05 -2.47 -0.10 0.00 -2.27 0.00 0.00 64.05 59.17 2fur n THR 171 Cb 0.52 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 2fur n THR 171 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2fur s SER 172 N -2.90 -0.22 0.00 3.42 1.04 -1.26 -5.06 113.70 108.73 2fur s SER 172 Ca 0.33 -0.52 0.22 0.00 0.48 0.00 0.00 55.95 56.45 2fur s SER 172 Cb 0.30 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.90 2fur s SER 172 CO -0.01 -1.02 1.03 0.41 0.98 0.00 0.00 173.24 174.63 2fur n THR 173 N -0.31 0.00 -1.53 2.02 -1.04 -1.26 -5.03 114.28 107.12 2fur n THR 173 Ca -0.10 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.05 61.40 2fur n THR 173 Cb 0.63 1.07 0.04 0.00 -1.82 0.00 0.00 70.33 70.24 2fur n THR 173 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2fur n ASP 174 N -0.79 -0.17 -4.34 8.00 9.92 -1.26 -4.86 116.55 123.05 2fur n ASP 174 Ca 0.07 0.80 -0.43 0.00 -0.53 0.00 0.00 54.79 54.70 2fur n ASP 174 Cb 0.39 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 2fur n ASP 174 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2fur n ASP 175 N 0.12 4.80 -3.96 -2.24 -0.08 -1.26 -4.86 116.55 109.08 2fur n ASP 175 Ca 0.12 -2.93 -0.22 0.00 -1.51 0.00 0.00 54.79 50.25 2fur n ASP 175 Cb 0.46 -1.68 -0.16 0.00 2.34 0.00 0.00 41.12 42.08 2fur n ASP 175 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2fur s ILE 176 N 3.23 0.85 0.28 5.18 1.01 -1.26 -5.13 121.20 125.35 2fur s ILE 176 Ca 0.49 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 2fur s ILE 176 Cb 0.05 -0.81 -0.10 0.00 0.01 0.00 0.00 42.46 41.61 2fur s ILE 176 CO 0.03 0.29 1.34 0.86 0.00 0.00 0.00 174.94 177.46 2fur s TRP 177 N 0.80 3.09 0.08 3.97 -0.00 -1.26 -4.87 118.94 120.75 2fur s TRP 177 Ca -0.13 1.26 0.03 0.00 -0.00 0.00 0.00 56.10 57.26 2fur s TRP 177 Cb -0.15 -3.70 -0.03 0.00 -0.00 0.00 0.00 33.47 29.59 2fur s TRP 177 CO 0.02 -2.09 -0.09 -1.54 -0.00 0.00 0.00 176.95 173.25 2fur s SER 178 N -0.06 1.21 0.00 5.86 1.04 -1.26 -4.71 113.70 115.79 2fur s SER 178 Ca 0.54 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2fur s SER 178 Cb -0.40 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2fur s SER 178 CO 0.47 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2fur n GLY 179 N 0.77 -1.93 3.34 7.32 0.00 -0.29 -5.03 105.19 109.37 2fur n GLY 179 Ca -0.18 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2fur n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fur s VAL 180 N -2.57 2.82 -0.53 1.61 1.01 -1.26 -1.18 120.40 120.31 2fur s VAL 180 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2fur s VAL 180 Cb 0.00 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.28 2fur s VAL 180 CO 0.00 0.53 0.68 -0.76 0.00 0.00 0.00 175.10 175.55 2fur s LEU 181 N 0.35 4.92 0.36 3.92 1.02 0.23 -4.93 118.68 124.55 2fur s LEU 181 Ca -0.13 -0.94 -0.27 0.00 0.02 0.00 0.00 54.13 52.81 2fur s LEU 181 Cb -0.16 -2.46 -0.09 0.00 0.02 0.00 0.00 46.19 43.50 2fur s LEU 181 CO 0.06 -0.98 1.17 -2.84 0.02 0.00 0.00 176.35 173.78 2fur s PRO 182 N 2.83 4.25 -0.23 1.29 0.02 -1.26 -1.07 135.00 140.82 2fur s PRO 182 Ca 0.16 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 63.02 2fur s PRO 182 Cb -0.19 -2.85 -0.00 0.00 0.02 0.00 0.00 34.50 31.47 2fur s PRO 182 CO 0.12 -0.16 -0.03 0.42 -0.33 0.00 0.00 177.00 177.01 2fur s ILE 183 N -1.32 3.39 -0.09 2.83 1.01 -0.15 -4.89 121.20 121.97 2fur s ILE 183 Ca 0.53 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 2fur s ILE 183 Cb -0.32 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 2fur s ILE 183 CO 0.41 0.37 0.02 -1.10 0.00 0.00 0.00 174.94 174.64 2fur s GLN 184 N 1.47 3.08 -0.20 2.79 -1.52 -1.26 -4.60 119.66 119.41 2fur s GLN 184 Ca 0.05 -0.37 -0.02 0.00 -1.95 0.00 0.00 55.36 53.07 2fur s GLN 184 Cb -0.15 -2.86 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 2fur s GLN 184 CO -0.03 0.69 -0.11 -1.01 -0.25 0.00 0.00 175.29 174.58 2fur s HIS 185 N -0.85 2.87 0.03 0.91 3.76 -1.26 -5.06 115.29 115.69 2fur s HIS 185 Ca 0.13 -1.24 0.03 0.00 -0.15 0.00 0.00 55.06 53.83 2fur s HIS 185 Cb -0.11 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 2fur s HIS 185 CO 0.02 -0.65 -0.10 0.99 -0.85 0.00 0.00 174.74 174.16 2fur s THR 186 N 1.36 0.75 -0.13 1.30 2.01 -1.26 -0.21 115.64 119.45 2fur s THR 186 Ca 0.05 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 2fur s THR 186 Cb -0.14 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 2fur s THR 186 CO -0.07 -0.06 0.99 -0.63 -0.69 0.00 0.00 174.62 174.15 2fur s ILE 187 N -0.78 4.78 0.51 1.82 1.01 -0.64 -4.97 121.20 122.93 2fur s ILE 187 Ca -0.02 1.99 0.09 0.00 0.00 0.00 0.00 60.65 62.71 2fur s ILE 187 Cb -0.07 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.16 2fur s ILE 187 CO 0.01 -0.02 0.66 -0.94 0.00 0.00 0.00 174.94 174.64 2fur s SER 188 N 1.12 5.23 -0.08 3.58 1.04 -1.26 -0.53 113.70 122.79 2fur s SER 188 Ca 0.46 -0.74 -0.39 0.00 0.48 0.00 0.00 55.95 55.76 2fur s SER 188 Cb -0.17 -0.06 -0.17 0.00 0.10 0.00 0.00 66.02 65.72 2fur s SER 188 CO 0.15 -1.09 1.46 1.21 0.98 0.00 0.00 173.24 175.96 2fur n GLU 189 N -2.02 0.95 -0.10 4.02 4.07 -1.26 -4.80 120.64 121.50 2fur n GLU 189 Ca 0.11 0.35 0.03 0.00 -0.06 0.00 0.00 57.16 57.59 2fur n GLU 189 Cb 0.61 -1.98 0.09 0.00 -0.06 0.00 0.00 31.44 30.10 2fur n GLU 189 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fur n ALA 190 N 3.47 2.14 0.00 4.31 0.00 -1.26 -5.07 120.51 124.10 2fur n ALA 190 Ca 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2fur n ALA 190 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2fur n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fur n GLY 191 N 0.13 3.92 0.22 0.00 0.00 -1.26 -4.89 105.19 103.31 2fur n GLY 191 Ca 0.07 -0.86 0.15 0.00 0.00 0.00 0.00 46.02 45.38 2fur n GLY 191 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2fur h GLU 192 N 0.00 0.00 -0.38 1.61 4.39 -2.02 -2.84 114.58 115.35 2fur h GLU 192 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fur h GLU 192 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2fur h GLU 192 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 2fur n ASN 193 N -2.72 4.15 -4.79 1.42 3.02 -1.26 -4.97 115.26 110.11 2fur n ASN 193 Ca 0.01 -2.75 -0.31 0.00 -0.03 0.00 0.00 54.58 51.50 2fur n ASN 193 Cb 0.27 -0.52 0.08 0.00 -0.61 0.00 0.00 39.78 38.99 2fur n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fur s ALA 194 N -2.37 2.39 0.81 5.41 0.00 -1.07 -5.03 121.76 121.89 2fur s ALA 194 Ca 0.42 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 2fur s ALA 194 Cb 0.31 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 20.30 2fur s ALA 194 CO 0.13 -1.57 1.18 -1.25 0.00 0.00 0.00 175.76 174.25 2fur s PRO 195 N -4.98 1.70 0.39 0.00 0.04 -1.26 -4.72 135.00 126.17 2fur s PRO 195 Ca 0.60 1.64 0.11 0.00 0.04 0.00 0.00 61.00 63.39 2fur s PRO 195 Cb -0.16 -1.80 0.80 0.00 0.04 0.00 0.00 34.50 33.39 2fur s PRO 195 CO 0.56 -2.14 1.90 0.93 0.04 0.00 0.00 177.00 178.29 2fur h GLU 196 N -0.99 0.14 0.00 4.56 4.39 -1.98 -0.98 114.58 119.72 2fur h GLU 196 Ca -0.45 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2fur h GLU 196 Cb 1.28 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2fur h GLU 196 CO 0.47 0.35 -0.07 0.10 -1.16 0.00 0.00 179.01 178.69 2fur h TYR 197 N 0.13 0.00 0.06 4.33 -0.00 -1.92 -0.32 116.97 119.25 2fur h TYR 197 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.59 2fur h TYR 197 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.17 2fur h TYR 197 CO 0.00 0.07 -0.84 0.28 -0.00 0.00 0.00 178.16 177.67 2fur h VAL 198 N 0.00 1.32 0.00 -0.90 2.07 -1.59 -3.39 116.25 113.76 2fur h VAL 198 Ca -0.00 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 2fur h VAL 198 Cb 0.34 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2fur h VAL 198 CO 0.01 0.59 -0.11 0.11 0.02 0.00 0.00 177.57 178.19 2fur h LYS 199 N -0.69 0.00 0.00 1.57 1.57 -1.00 -2.14 116.57 115.88 2fur h LYS 199 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2fur h LYS 199 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2fur h LYS 199 CO -0.01 0.11 0.00 -1.13 -0.57 0.00 0.00 179.45 177.85 2fur n SER 200 N -4.36 0.27 0.05 0.86 3.41 -0.15 -1.91 113.62 111.78 2fur n SER 200 Ca -0.03 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2fur n SER 200 Cb 0.18 -0.63 0.10 0.00 -0.26 0.00 0.00 64.21 63.61 2fur n SER 200 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fur n LEU 201 N -1.81 0.66 -4.73 1.04 4.77 -0.81 -4.87 117.00 111.26 2fur n LEU 201 Ca 0.02 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 2fur n LEU 201 Cb 0.16 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2fur n LEU 201 CO 0.14 -0.01 1.33 -0.31 -1.33 0.00 0.00 177.39 177.20 2fur s TYR 202 N -3.18 2.89 0.00 -1.77 2.02 -0.80 -1.30 117.35 115.20 2fur s TYR 202 Ca 0.05 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 2fur s TYR 202 Cb 0.14 -4.10 0.00 0.00 -0.40 0.00 0.00 41.96 37.60 2fur s TYR 202 CO 0.76 -4.04 0.00 0.41 -1.57 0.00 0.00 175.55 171.11 2fur n GLY 203 N 3.51 1.55 3.72 0.71 0.00 0.30 -5.00 105.19 109.98 2fur n GLY 203 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2fur n GLY 203 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fur s LYS 204 N -0.03 4.48 0.07 1.61 2.20 -0.42 -4.78 119.74 122.87 2fur s LYS 204 Ca 0.00 1.71 -0.30 0.00 -0.36 0.00 0.00 55.97 57.01 2fur s LYS 204 Cb 0.00 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2fur s LYS 204 CO 0.00 -0.16 1.05 1.03 -0.36 0.00 0.00 175.35 176.91 2fur s ARG 205 N 0.76 4.56 0.42 4.03 0.52 -1.26 -1.62 118.95 126.35 2fur s ARG 205 Ca 0.56 1.57 0.05 0.00 -0.52 0.00 0.00 55.73 57.39 2fur s ARG 205 Cb -0.28 -3.38 -0.06 0.00 0.52 0.00 0.00 34.95 31.74 2fur s ARG 205 CO 0.30 -0.03 0.02 0.96 0.02 0.00 0.00 175.30 176.57 2fur s ILE 206 N 0.63 1.64 -1.51 1.52 -4.36 0.71 -4.76 121.20 115.07 2fur s ILE 206 Ca 0.52 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.91 2fur s ILE 206 Cb -0.25 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.70 2fur s ILE 206 CO 0.30 0.00 0.02 0.49 0.24 0.00 0.00 174.94 175.99 2fur n PHE 207 N -0.99 -0.87 -0.97 1.37 3.72 -1.26 -4.45 117.46 114.01 2fur n PHE 207 Ca -0.08 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2fur n PHE 207 Cb 0.67 -3.54 0.00 0.00 -0.94 0.00 0.00 39.48 35.67 2fur n PHE 207 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22