#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fld s LYS 2 N 0.00 0.30 -0.19 0.03 1.02 -1.26 -1.66 119.74 117.98 1fld s LYS 2 Ca 0.00 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1fld s LYS 2 Cb 0.00 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.03 1fld s LYS 2 CO 0.00 0.06 -0.17 0.42 -0.92 0.00 0.00 175.35 174.73 1fld s ILE 3 N 0.02 2.22 -0.11 2.17 1.01 -0.04 -3.55 121.20 122.92 1fld s ILE 3 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 1fld s ILE 3 Cb -0.03 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 1fld s ILE 3 CO -0.00 0.48 -0.10 -0.69 0.00 0.00 0.00 174.94 174.63 1fld s VAL 4 N 1.30 3.35 0.18 2.92 1.01 -0.38 0.52 120.40 129.30 1fld s VAL 4 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1fld s VAL 4 Cb -0.14 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1fld s VAL 4 CO -0.11 0.54 0.33 -0.72 0.00 0.00 0.00 175.10 175.14 1fld s TYR 5 N 0.02 0.40 -0.04 5.22 1.13 -0.76 -1.38 117.35 121.94 1fld s TYR 5 Ca -0.03 -0.75 0.03 0.00 -1.41 0.00 0.00 57.07 54.92 1fld s TYR 5 Cb -0.14 -0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.72 1fld s TYR 5 CO 0.04 -0.78 -0.12 -0.46 -2.51 0.00 0.00 175.55 171.71 1fld s TRP 6 N -3.98 1.28 -0.05 -3.49 -0.00 -0.73 0.01 118.94 111.98 1fld s TRP 6 Ca 0.19 -0.35 -0.03 0.00 -0.00 0.00 0.00 56.10 55.91 1fld s TRP 6 Cb 0.02 -0.89 0.03 0.00 -0.00 0.00 0.00 33.47 32.63 1fld s TRP 6 CO 0.02 -0.14 0.12 0.45 -0.00 0.00 0.00 176.95 177.40 1fld s SER 7 N 0.17 -0.08 -0.06 5.86 0.15 -1.26 -3.89 113.70 114.59 1fld s SER 7 Ca -0.04 0.23 0.16 0.00 0.70 0.00 0.00 55.95 57.00 1fld s SER 7 Cb -0.10 0.15 -0.22 0.00 -1.71 0.00 0.00 66.02 64.14 1fld s SER 7 CO 0.01 -0.12 0.51 0.61 1.20 0.00 0.00 173.24 175.46 1fld n GLY 8 N 3.91 -1.05 0.00 9.45 0.00 -1.26 -4.57 105.19 111.67 1fld n GLY 8 Ca -0.23 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1fld n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fld n THR 9 N -2.87 0.00 0.00 2.61 -2.24 -1.26 -5.03 114.28 105.49 1fld n THR 9 Ca -0.19 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1fld n THR 9 Cb 1.01 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 1fld n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fld n GLY 10 N 0.50 0.84 0.12 3.38 0.00 -1.26 -5.02 105.19 103.75 1fld n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fld n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1fld h ASN 11 N 0.00 -0.16 0.33 1.61 -0.26 -1.95 -1.50 115.58 113.65 1fld h ASN 11 Ca 0.00 -0.28 -0.08 0.00 -0.56 0.00 0.00 56.30 55.38 1fld h ASN 11 Cb 0.00 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1fld h ASN 11 CO 0.00 0.21 -0.37 0.74 -1.06 0.00 0.00 177.43 176.95 1fld h THR 12 N -0.56 1.28 -0.52 2.81 2.02 -1.89 -2.26 112.91 113.79 1fld h THR 12 Ca -0.02 -1.32 -0.06 0.00 0.77 0.00 0.00 66.41 65.78 1fld h THR 12 Cb 0.43 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1fld h THR 12 CO 0.03 0.38 0.08 -0.08 0.37 0.00 0.00 175.52 176.30 1fld h GLU 13 N 0.06 0.87 -0.66 6.66 4.81 -1.84 -1.24 114.58 123.23 1fld h GLU 13 Ca 0.00 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1fld h GLU 13 Cb 0.68 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1fld h GLU 13 CO 0.05 0.86 0.23 -0.22 -0.73 0.00 0.00 179.01 179.20 1fld h LYS 14 N 0.75 1.01 -0.55 1.92 1.63 -1.01 -2.03 116.57 118.28 1fld h LYS 14 Ca 0.16 -0.20 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1fld h LYS 14 Cb 0.42 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 1fld h LYS 14 CO 0.01 0.86 0.36 0.52 -3.45 0.00 0.00 179.45 177.76 1fld h MET 15 N 0.95 0.71 -0.57 1.90 2.86 -1.09 -1.97 114.93 117.71 1fld h MET 15 Ca 0.22 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 1fld h MET 15 Cb 0.26 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1fld h MET 15 CO -0.01 0.47 0.30 0.00 1.06 0.00 0.00 176.91 178.73 1fld h ALA 16 N 1.21 0.75 -0.72 6.32 0.00 -0.89 0.35 119.26 126.28 1fld h ALA 16 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1fld h ALA 16 Cb -0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1fld h ALA 16 CO -0.05 -0.03 0.41 0.93 0.00 0.00 0.00 179.25 180.51 1fld h GLU 17 N 0.58 0.98 -0.51 0.00 5.08 -1.04 -0.91 114.58 118.77 1fld h GLU 17 Ca 0.26 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1fld h GLU 17 Cb 0.16 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1fld h GLU 17 CO -0.17 0.72 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.37 1fld h LEU 18 N 0.98 0.98 -0.61 1.33 4.07 -0.83 -0.68 115.31 120.55 1fld h LEU 18 Ca 0.25 -0.36 -0.06 0.00 0.08 0.00 0.00 57.88 57.80 1fld h LEU 18 Cb 0.00 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 1fld h LEU 18 CO -0.04 1.11 0.15 0.40 -1.08 0.00 0.00 178.44 178.98 1fld h ILE 19 N 0.84 1.25 -0.72 1.22 2.04 -0.71 -2.24 117.51 119.19 1fld h ILE 19 Ca 0.13 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1fld h ILE 19 Cb 0.68 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1fld h ILE 19 CO 0.05 0.34 0.39 0.00 0.00 0.00 0.00 178.15 178.93 1fld h ALA 20 N 1.04 0.92 -0.96 1.87 0.00 -0.95 -2.13 119.26 119.06 1fld h ALA 20 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1fld h ALA 20 Cb 0.35 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1fld h ALA 20 CO 0.00 0.45 0.63 -0.22 0.00 0.00 0.00 179.25 180.10 1fld h LYS 21 N 1.00 1.17 -0.62 0.00 3.64 -0.81 -0.14 116.57 120.80 1fld h LYS 21 Ca 0.25 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1fld h LYS 21 Cb 0.05 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1fld h LYS 21 CO -0.04 0.77 0.25 0.78 -2.27 0.00 0.00 179.45 178.95 1fld h GLY 22 N 1.20 0.99 0.94 5.01 0.00 -0.81 0.73 103.07 111.14 1fld h GLY 22 Ca 0.39 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1fld h GLY 22 CO -0.13 0.51 0.08 -2.22 0.00 0.00 0.00 176.54 174.77 1fld h ILE 23 N 0.87 1.24 -0.52 2.60 2.04 -0.84 -2.21 117.51 120.69 1fld h ILE 23 Ca 0.21 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1fld h ILE 23 Cb 0.20 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1fld h ILE 23 CO -0.02 0.29 0.19 0.40 0.00 0.00 0.00 178.15 179.01 1fld h ILE 24 N 0.54 1.22 0.00 -0.67 2.04 -0.81 -2.15 117.51 117.68 1fld h ILE 24 Ca 0.13 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1fld h ILE 24 Cb 0.36 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1fld h ILE 24 CO 0.01 0.27 -0.05 -0.33 0.00 0.00 0.00 178.15 178.05 1fld h GLU 25 N 0.70 0.00 -0.00 2.37 5.08 -0.65 0.16 114.58 122.24 1fld h GLU 25 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1fld h GLU 25 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1fld h GLU 25 CO -0.01 0.05 -0.01 0.43 -1.00 0.00 0.00 179.01 178.47 1fld n SER 26 N -3.96 0.09 0.00 1.42 7.64 -0.85 -4.90 113.62 113.06 1fld n SER 26 Ca -0.03 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1fld n SER 26 Cb 0.14 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1fld n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fld n GLY 27 N 1.08 0.64 3.74 0.23 0.00 0.57 -5.09 105.19 106.38 1fld n GLY 27 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1fld n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fld s LYS 28 N -0.97 2.65 0.22 1.61 1.02 -0.98 -5.01 119.74 118.28 1fld s LYS 28 Ca 0.00 -1.20 -0.05 0.00 0.02 0.00 0.00 55.97 54.74 1fld s LYS 28 Cb 0.00 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1fld s LYS 28 CO 0.00 0.39 0.47 0.34 -0.92 0.00 0.00 175.35 175.63 1fld s ASP 29 N -3.74 6.48 -0.13 2.83 2.15 -1.26 -3.51 116.67 119.49 1fld s ASP 29 Ca 0.32 0.66 -0.27 0.00 0.43 0.00 0.00 52.55 53.68 1fld s ASP 29 Cb -0.07 -2.12 0.07 0.00 -0.30 0.00 0.00 42.92 40.50 1fld s ASP 29 CO 0.23 -0.08 0.66 0.54 -0.17 0.00 0.00 175.17 176.35 1fld s VAL 30 N -1.88 0.00 -0.05 1.11 0.11 -1.26 -2.07 120.40 116.36 1fld s VAL 30 Ca 0.43 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.50 1fld s VAL 30 Cb -0.11 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1fld s VAL 30 CO 0.27 -0.01 -0.22 0.20 -3.33 0.00 0.00 175.10 172.01 1fld s ASN 31 N -0.61 2.66 -0.18 3.54 -0.87 -0.66 -4.94 114.94 113.88 1fld s ASN 31 Ca -0.07 -0.44 -0.11 0.00 -1.57 0.00 0.00 52.86 50.66 1fld s ASN 31 Cb -0.02 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.25 40.43 1fld s ASN 31 CO 0.06 0.21 0.20 0.42 -2.57 0.00 0.00 177.10 175.41 1fld s THR 32 N -0.08 5.37 -0.08 1.60 -4.23 -1.26 -0.86 115.64 116.10 1fld s THR 32 Ca -0.03 0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1fld s THR 32 Cb -0.13 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.19 1fld s THR 32 CO 0.03 0.42 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.79 1fld s ILE 33 N 0.37 1.14 0.30 2.99 1.01 0.19 -4.94 121.20 122.25 1fld s ILE 33 Ca 0.12 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 1fld s ILE 33 Cb -0.12 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.19 1fld s ILE 33 CO 0.00 0.36 1.16 0.21 0.00 0.00 0.00 174.94 176.67 1fld s ASN 34 N 0.90 7.10 0.51 3.58 3.84 -1.26 -1.83 114.94 127.79 1fld s ASN 34 Ca -0.10 2.38 0.33 0.00 0.21 0.00 0.00 52.86 55.68 1fld s ASN 34 Cb -0.15 -2.63 1.46 0.00 -0.55 0.00 0.00 41.25 39.38 1fld s ASN 34 CO 0.01 -0.27 1.79 1.62 -2.79 0.00 0.00 177.10 177.45 1fld h VAL 35 N 3.04 0.41 0.00 -5.21 3.04 -0.77 -0.25 116.25 116.51 1fld h VAL 35 Ca -0.47 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.16 1fld h VAL 35 Cb 1.22 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1fld h VAL 35 CO 0.66 0.02 -0.11 0.28 -1.01 0.00 0.00 177.57 177.41 1fld h SER 36 N 0.08 0.00 -0.42 3.17 0.02 -1.90 -2.99 113.55 111.51 1fld h SER 36 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1fld h SER 36 Cb 2.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.69 1fld h SER 36 CO -0.08 0.11 0.00 0.47 -1.14 0.00 0.00 176.83 176.19 1fld n ASP 37 N -4.37 3.74 -4.76 3.07 8.00 -0.11 -5.02 116.55 117.09 1fld n ASP 37 Ca -0.03 -2.40 -0.39 0.00 0.71 0.00 0.00 54.79 52.69 1fld n ASP 37 Cb 0.18 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1fld n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1fld s VAL 38 N -1.73 3.98 -0.34 2.53 0.11 -1.13 -4.94 120.40 118.88 1fld s VAL 38 Ca 0.37 1.82 -0.08 0.00 -2.93 0.00 0.00 61.98 61.17 1fld s VAL 38 Cb 0.24 -4.09 0.03 0.00 -1.53 0.00 0.00 36.38 31.03 1fld s VAL 38 CO 0.17 0.31 0.12 0.21 -3.33 0.00 0.00 175.10 172.58 1fld s ASN 39 N -1.31 5.37 0.22 3.54 3.84 -1.26 -5.00 114.94 120.34 1fld s ASN 39 Ca 0.46 -1.01 -0.08 0.00 0.21 0.00 0.00 52.86 52.45 1fld s ASN 39 Cb -0.24 -1.91 0.30 0.00 -0.55 0.00 0.00 41.25 38.85 1fld s ASN 39 CO 0.30 -0.31 1.78 0.40 -2.79 0.00 0.00 177.10 176.48 1fld h ILE 40 N 6.03 0.86 -0.04 -5.21 1.08 -1.98 -1.34 117.51 116.91 1fld h ILE 40 Ca -0.26 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1fld h ILE 40 Cb 1.10 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1fld h ILE 40 CO 0.62 0.11 0.02 0.44 -0.69 0.00 0.00 178.15 178.65 1fld h ASP 41 N 0.58 0.03 -0.03 1.72 3.32 -1.99 0.23 116.42 120.29 1fld h ASP 41 Ca 0.33 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1fld h ASP 41 Cb 0.33 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1fld h ASP 41 CO -0.25 0.03 -0.27 -0.33 -1.72 0.00 0.00 179.24 176.69 1fld h GLU 42 N 0.05 0.46 -0.55 3.56 5.08 -1.97 -2.82 114.58 118.39 1fld h GLU 42 Ca 0.02 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1fld h GLU 42 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1fld h GLU 42 CO -0.01 0.70 -0.03 1.25 -1.00 0.00 0.00 179.01 179.92 1fld h LEU 43 N 0.41 0.96 0.00 1.33 5.85 -0.81 -2.72 115.31 120.33 1fld h LEU 43 Ca 0.06 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1fld h LEU 43 Cb 0.69 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1fld h LEU 43 CO 0.05 1.03 0.00 0.18 -0.34 0.00 0.00 178.44 179.36 1fld n LEU 44 N -4.18 0.00 -0.23 2.25 4.77 0.03 -1.94 117.00 117.70 1fld n LEU 44 Ca 0.02 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1fld n LEU 44 Cb 0.35 -0.47 0.46 0.00 -2.33 0.00 0.00 43.42 41.43 1fld n LEU 44 CO 0.44 -0.30 0.74 0.59 -1.33 0.00 0.00 177.39 177.53 1fld n ASN 45 N -1.47 0.92 -4.79 -1.43 5.03 -1.02 -4.90 115.26 107.59 1fld n ASN 45 Ca 0.03 -0.87 -0.36 0.00 0.87 0.00 0.00 54.58 54.25 1fld n ASN 45 Cb 0.12 0.06 -0.05 0.00 -1.02 0.00 0.00 39.78 38.89 1fld n ASN 45 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1fld s GLU 46 N -2.43 4.27 0.13 3.52 0.41 -0.82 -4.97 118.70 118.81 1fld s GLU 46 Ca 0.27 1.38 -0.03 0.00 -0.41 0.00 0.00 54.97 56.18 1fld s GLU 46 Cb 0.20 -2.52 -0.08 0.00 -1.78 0.00 0.00 34.13 29.95 1fld s GLU 46 CO 0.49 -0.02 1.32 0.22 -0.49 0.00 0.00 175.26 176.77 1fld h ASP 47 N 2.51 0.48 -3.38 -0.19 3.58 -1.90 -3.44 116.42 114.07 1fld h ASP 47 Ca -0.48 -0.39 -0.57 0.00 0.42 0.00 0.00 57.03 56.01 1fld h ASP 47 Cb 1.20 -0.15 -0.33 0.00 1.72 0.00 0.00 39.33 41.77 1fld h ASP 47 CO 0.63 1.19 -0.84 -0.63 -2.88 0.00 0.00 179.24 176.71 1fld s ILE 48 N -3.25 1.44 -0.26 2.25 1.01 -1.26 -3.57 121.20 117.57 1fld s ILE 48 Ca -0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 1fld s ILE 48 Cb 0.09 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1fld s ILE 48 CO 0.86 0.42 0.16 -0.76 0.00 0.00 0.00 174.94 175.63 1fld s LEU 49 N 0.59 4.00 -0.32 2.97 1.43 -0.10 -4.65 118.68 122.60 1fld s LEU 49 Ca -0.15 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1fld s LEU 49 Cb -0.16 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1fld s LEU 49 CO 0.05 0.00 0.09 -0.63 0.23 0.00 0.00 176.35 176.09 1fld s ILE 50 N 1.43 3.79 -0.05 -0.59 1.01 -1.23 -1.14 121.20 124.41 1fld s ILE 50 Ca 0.07 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1fld s ILE 50 Cb -0.15 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 1fld s ILE 50 CO 0.08 -0.07 -0.21 -0.76 0.00 0.00 0.00 174.94 173.97 1fld s LEU 51 N 1.43 2.00 0.01 2.97 1.43 -0.48 -1.25 118.68 124.80 1fld s LEU 51 Ca -0.00 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1fld s LEU 51 Cb -0.19 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1fld s LEU 51 CO 0.02 0.20 -0.04 -0.83 0.23 0.00 0.00 176.35 175.94 1fld s GLY 52 N -0.04 0.23 -0.28 -3.19 0.00 -0.48 -1.80 107.32 101.77 1fld s GLY 52 Ca -0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 44.72 44.05 1fld s GLY 52 CO 0.03 -0.41 0.83 0.00 0.00 0.00 0.00 173.10 173.55 1fld s SER 54 N 0.49 3.86 -0.18 0.00 1.04 -1.25 -4.30 113.70 113.37 1fld s SER 54 Ca -0.00 1.19 -0.29 0.00 0.48 0.00 0.00 55.95 57.33 1fld s SER 54 Cb -0.05 -1.86 -0.00 0.00 0.10 0.00 0.00 66.02 64.21 1fld s SER 54 CO -0.04 -2.36 1.07 0.00 0.98 0.00 0.00 173.24 172.90 1fld s ALA 55 N -3.16 3.60 0.52 5.32 0.00 -0.77 -4.40 121.76 122.88 1fld s ALA 55 Ca 0.63 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1fld s ALA 55 Cb -0.15 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1fld s ALA 55 CO 0.54 -0.93 0.45 -1.64 0.00 0.00 0.00 175.76 174.18 1fld s MET 56 N 2.87 2.31 -0.29 0.00 -1.94 -0.01 -4.85 119.30 117.39 1fld s MET 56 Ca 0.47 -1.88 -0.27 0.00 -1.71 0.00 0.00 55.69 52.31 1fld s MET 56 Cb -0.17 -2.22 -0.11 0.00 2.01 0.00 0.00 34.83 34.33 1fld s MET 56 CO 0.11 -0.57 0.99 2.41 -0.01 0.00 0.00 175.02 177.95 1fld n THR 57 N -1.79 0.00 -3.21 2.05 -1.04 -1.26 -0.74 114.28 108.29 1fld n THR 57 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 1fld n THR 57 Cb 0.63 -0.29 0.05 0.00 -1.82 0.00 0.00 70.33 68.91 1fld n THR 57 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1fld n ASP 58 N 2.73 -5.52 -3.41 8.00 8.00 -1.26 -3.76 116.55 121.33 1fld n ASP 58 Ca 0.21 -0.37 -0.19 0.00 0.71 0.00 0.00 54.79 55.15 1fld n ASP 58 Cb -0.03 -4.21 0.06 0.00 -0.02 0.00 0.00 41.12 36.92 1fld n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fld n GLU 59 N -3.94 -3.10 -4.41 -1.24 -0.58 0.08 -5.00 120.64 102.47 1fld n GLU 59 Ca -0.03 0.76 -0.20 0.00 -0.42 0.00 0.00 57.16 57.27 1fld n GLU 59 Cb 0.57 -5.44 -0.10 0.00 -0.57 0.00 0.00 31.44 25.89 1fld n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1fld s VAL 60 N -3.43 0.92 0.55 2.62 -7.23 -0.60 -4.10 120.40 109.14 1fld s VAL 60 Ca 0.33 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 1fld s VAL 60 Cb -0.06 -2.71 -0.06 0.00 0.56 0.00 0.00 36.38 34.11 1fld s VAL 60 CO 0.77 0.00 1.04 -0.76 -0.31 0.00 0.00 175.10 175.84 1fld s LEU 61 N -3.43 3.60 0.16 1.32 1.43 -1.26 -0.83 118.68 119.66 1fld s LEU 61 Ca 0.36 1.78 -0.34 0.00 -1.03 0.00 0.00 54.13 54.90 1fld s LEU 61 Cb 0.08 -4.53 -0.14 0.00 0.03 0.00 0.00 46.19 41.63 1fld s LEU 61 CO 0.15 -0.95 1.55 1.21 0.23 0.00 0.00 176.35 178.54 1fld n GLU 62 N -1.71 2.06 0.08 1.70 0.00 -1.26 -4.72 120.64 116.80 1fld n GLU 62 Ca 0.08 0.74 -0.17 0.00 0.00 0.00 0.00 57.16 57.82 1fld n GLU 62 Cb 0.53 -2.50 -0.09 0.00 0.00 0.00 0.00 31.44 29.38 1fld n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1fld h GLU 63 N 5.75 0.46 0.00 5.31 5.08 -1.96 0.52 114.58 129.74 1fld h GLU 63 Ca -0.45 -0.57 -0.12 0.00 -1.00 0.00 0.00 59.36 57.21 1fld h GLU 63 Cb 1.26 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1fld h GLU 63 CO 0.87 1.22 -0.57 0.66 -1.00 0.00 0.00 179.01 180.19 1fld h SER 64 N 0.23 0.00 0.00 1.42 4.64 -2.01 -3.40 113.55 114.43 1fld h SER 64 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1fld h SER 64 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1fld h SER 64 CO 0.19 0.57 -0.59 -0.62 -0.87 0.00 0.00 176.83 175.52 1fld n GLU 65 N -3.27 0.00 0.01 4.77 1.02 -1.26 -4.83 120.64 117.09 1fld n GLU 65 Ca 0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1fld n GLU 65 Cb 0.75 -0.32 -0.09 0.00 -0.02 0.00 0.00 31.44 31.76 1fld n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1fld h PHE 66 N 0.00 -0.06 -0.23 -0.32 3.57 -1.82 -3.03 116.94 115.05 1fld h PHE 66 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1fld h PHE 66 Cb 0.59 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1fld h PHE 66 CO 0.00 0.39 -0.14 1.49 -2.23 0.00 0.00 178.31 177.82 1fld h GLU 67 N -0.53 -0.12 -0.67 1.11 4.57 -1.12 -1.52 114.58 116.30 1fld h GLU 67 Ca -0.01 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1fld h GLU 67 Cb 0.47 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1fld h GLU 67 CO 0.01 -0.08 0.44 -1.35 -1.18 0.00 0.00 179.01 176.86 1fld h PRO 68 N -0.12 0.67 -0.36 0.92 0.11 -1.77 -0.86 132.00 130.59 1fld h PRO 68 Ca 0.13 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1fld h PRO 68 Cb 0.31 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1fld h PRO 68 CO -0.30 0.44 0.07 0.35 -0.21 0.00 0.00 178.00 178.35 1fld h PHE 69 N 0.69 0.62 -0.61 0.65 3.57 -1.27 -0.83 116.94 119.77 1fld h PHE 69 Ca 0.29 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1fld h PHE 69 Cb 0.26 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1fld h PHE 69 CO -0.00 0.63 0.33 0.82 -2.23 0.00 0.00 178.31 177.86 1fld h ILE 70 N 0.44 1.20 -0.70 1.41 1.08 -0.28 -2.19 117.51 118.46 1fld h ILE 70 Ca 0.11 -0.51 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1fld h ILE 70 Cb 0.33 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 1fld h ILE 70 CO 0.00 0.22 0.40 -0.33 -0.69 0.00 0.00 178.15 177.76 1fld h GLU 71 N 0.82 0.97 -0.61 2.37 4.39 -1.06 -0.71 114.58 120.76 1fld h GLU 71 Ca 0.21 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1fld h GLU 71 Cb 0.06 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1fld h GLU 71 CO -0.03 0.71 0.17 1.49 -1.16 0.00 0.00 179.01 180.18 1fld h GLU 72 N 0.96 0.96 0.00 2.33 4.81 -0.70 -2.96 114.58 119.98 1fld h GLU 72 Ca 0.25 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1fld h GLU 72 Cb 0.01 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1fld h GLU 72 CO -0.04 0.87 -0.22 0.44 -0.73 0.00 0.00 179.01 179.32 1fld n ILE 73 N -4.36 0.36 -0.34 2.32 -5.35 -0.86 -4.35 119.36 106.78 1fld n ILE 73 Ca 0.03 -0.20 0.25 0.00 -0.27 0.00 0.00 62.75 62.56 1fld n ILE 73 Cb 0.23 -0.36 0.53 0.00 -1.74 0.00 0.00 39.64 38.30 1fld n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1fld h SER 74 N 0.00 0.42 0.35 7.28 4.64 -0.95 -0.26 113.55 125.03 1fld h SER 74 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1fld h SER 74 Cb 0.67 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1fld h SER 74 CO 0.00 0.04 -0.23 0.35 -0.87 0.00 0.00 176.83 176.12 1fld n THR 75 N -4.64 0.00 -0.87 2.95 -2.24 -1.26 -4.13 114.28 104.08 1fld n THR 75 Ca 0.27 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 1fld n THR 75 Cb 0.95 0.17 0.13 0.00 -2.10 0.00 0.00 70.33 69.49 1fld n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fld n LYS 76 N -0.92 1.78 -0.01 -0.78 5.02 -0.12 -4.72 118.16 118.42 1fld n LYS 76 Ca 0.12 -2.43 0.01 0.00 -2.02 0.00 0.00 58.31 53.99 1fld n LYS 76 Cb 0.32 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1fld n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1fld n ILE 77 N -1.13 1.00 -1.71 -0.18 -5.35 -1.18 -5.01 119.36 105.79 1fld n ILE 77 Ca 0.14 -1.04 -0.43 0.00 -0.27 0.00 0.00 62.75 61.15 1fld n ILE 77 Cb 0.60 0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 38.95 1fld n ILE 77 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1fld n SER 78 N -0.55 3.55 0.00 7.28 2.88 -1.25 -1.39 113.62 124.13 1fld n SER 78 Ca 0.02 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1fld n SER 78 Cb 0.31 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 1fld n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fld n GLY 79 N 2.67 2.14 3.84 0.46 0.00 0.11 -4.92 105.19 109.49 1fld n GLY 79 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1fld n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fld s LYS 80 N -0.20 4.01 0.05 1.61 1.02 -0.49 -4.74 119.74 121.00 1fld s LYS 80 Ca 0.00 0.90 -0.19 0.00 0.02 0.00 0.00 55.97 56.70 1fld s LYS 80 Cb 0.00 -2.22 -0.06 0.00 -0.52 0.00 0.00 37.83 35.02 1fld s LYS 80 CO 0.00 -0.11 0.55 0.15 -0.92 0.00 0.00 175.35 175.02 1fld s LYS 81 N -3.64 4.19 0.02 1.68 1.02 -1.23 -0.42 119.74 121.36 1fld s LYS 81 Ca 0.58 0.70 0.00 0.00 0.02 0.00 0.00 55.97 57.27 1fld s LYS 81 Cb -0.10 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1fld s LYS 81 CO 0.24 0.60 -0.03 0.14 -0.92 0.00 0.00 175.35 175.38 1fld s VAL 82 N -0.96 0.14 -0.06 3.17 -7.23 -0.05 -0.92 120.40 114.49 1fld s VAL 82 Ca 0.29 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.75 1fld s VAL 82 Cb -0.19 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.51 1fld s VAL 82 CO 0.18 -0.38 -0.14 0.00 -0.31 0.00 0.00 175.10 174.45 1fld s ALA 83 N -1.14 1.37 0.08 1.32 0.00 -0.30 -1.61 121.76 121.49 1fld s ALA 83 Ca -0.12 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.43 1fld s ALA 83 Cb -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1fld s ALA 83 CO -0.01 0.16 -0.22 -0.51 0.00 0.00 0.00 175.76 175.18 1fld s LEU 84 N 0.52 2.48 0.21 0.00 1.43 -1.26 -1.38 118.68 120.69 1fld s LEU 84 Ca -0.13 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.25 1fld s LEU 84 Cb -0.15 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1fld s LEU 84 CO 0.04 0.22 0.51 0.72 0.23 0.00 0.00 176.35 178.07 1fld s PHE 85 N -0.99 0.02 0.00 0.29 -0.71 -0.75 -1.26 117.98 114.59 1fld s PHE 85 Ca 0.15 -0.38 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1fld s PHE 85 Cb -0.10 0.34 0.00 0.00 -1.21 0.00 0.00 43.02 42.05 1fld s PHE 85 CO 0.06 -0.95 0.00 0.41 -1.34 0.00 0.00 175.22 173.40 1fld n GLY 86 N -0.35 2.10 3.89 1.99 0.00 -0.59 -2.13 105.19 110.11 1fld n GLY 86 Ca -0.07 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 1fld n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fld s SER 87 N 0.00 6.07 0.20 1.61 0.15 -1.26 -2.30 113.70 118.17 1fld s SER 87 Ca 0.00 0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.72 1fld s SER 87 Cb 0.00 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 1fld s SER 87 CO 0.00 0.10 0.22 -0.72 1.20 0.00 0.00 173.24 174.05 1fld s TYR 88 N -1.63 0.81 0.00 3.44 1.13 -0.68 -1.85 117.35 118.57 1fld s TYR 88 Ca 0.33 -1.11 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 1fld s TYR 88 Cb -0.12 -0.29 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1fld s TYR 88 CO 0.26 -0.72 0.00 0.41 -2.51 0.00 0.00 175.55 173.00 1fld n GLY 89 N -0.26 0.23 0.01 5.49 0.00 -1.26 -0.40 105.19 109.00 1fld n GLY 89 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1fld n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1fld n TRP 90 N 0.00 0.12 -0.66 1.61 2.14 -1.26 -4.79 117.44 114.59 1fld n TRP 90 Ca 0.00 0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.60 1fld n TRP 90 Cb 0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 31.31 30.15 1fld n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1fld n GLY 91 N 1.46 -0.53 0.33 -1.67 0.00 -1.26 -5.03 105.19 98.49 1fld n GLY 91 Ca 0.05 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.43 1fld n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fld n ASP 92 N -1.20 1.62 0.00 1.61 5.68 -1.26 -4.97 116.55 118.03 1fld n ASP 92 Ca 0.00 -2.88 0.00 0.00 -0.50 0.00 0.00 54.79 51.41 1fld n ASP 92 Cb 0.00 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1fld n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fld n GLY 93 N -0.94 0.94 0.29 6.12 0.00 -1.26 -5.00 105.19 105.35 1fld n GLY 93 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1fld n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fld h LYS 94 N 2.77 0.72 -0.44 1.61 1.63 -1.94 -1.06 116.57 119.86 1fld h LYS 94 Ca 0.00 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1fld h LYS 94 Cb 0.00 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 1fld h LYS 94 CO 0.00 0.47 0.29 0.11 -3.45 0.00 0.00 179.45 176.87 1fld h TRP 95 N 0.74 0.48 0.05 1.91 0.09 -1.95 -1.51 115.95 115.75 1fld h TRP 95 Ca 0.36 0.01 -0.26 0.00 0.09 0.00 0.00 58.89 59.09 1fld h TRP 95 Cb 0.31 -0.16 0.01 0.00 0.08 0.00 0.00 29.16 29.41 1fld h TRP 95 CO -0.07 0.29 -1.09 1.98 0.09 0.00 0.00 178.44 179.64 1fld h MET 96 N 0.50 0.53 -0.73 0.12 4.05 -1.57 -0.62 114.93 117.21 1fld h MET 96 Ca 0.17 -0.63 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 1fld h MET 96 Cb 0.07 0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 1fld h MET 96 CO -0.04 1.25 0.48 0.00 0.23 0.00 0.00 176.91 178.83 1fld h ARG 97 N 0.27 0.96 -0.43 0.39 3.08 -0.81 0.64 114.38 118.47 1fld h ARG 97 Ca -0.13 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 1fld h ARG 97 Cb 1.75 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1fld h ARG 97 CO 0.20 0.64 -0.25 -0.44 -1.07 0.00 0.00 179.97 179.05 1fld h ASP 98 N 0.99 0.96 -0.51 7.04 3.32 -1.25 -1.66 116.42 125.31 1fld h ASP 98 Ca 0.27 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1fld h ASP 98 Cb -0.11 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 1fld h ASP 98 CO -0.06 1.17 0.30 0.15 -1.72 0.00 0.00 179.24 179.08 1fld h PHE 99 N 0.75 0.67 -0.27 4.55 3.57 -0.68 -0.24 116.94 125.29 1fld h PHE 99 Ca 0.09 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1fld h PHE 99 Cb 0.83 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1fld h PHE 99 CO 0.06 0.47 0.12 1.49 -2.23 0.00 0.00 178.31 178.21 1fld h GLU 100 N 0.68 0.40 -0.91 1.11 4.81 -0.80 -1.05 114.58 118.82 1fld h GLU 100 Ca 0.18 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1fld h GLU 100 Cb -0.00 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1fld h GLU 100 CO -0.03 0.42 0.60 1.49 -0.73 0.00 0.00 179.01 180.76 1fld h GLU 101 N 0.30 1.19 -0.04 1.92 4.81 -1.07 -1.69 114.58 120.00 1fld h GLU 101 Ca 0.09 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1fld h GLU 101 Cb 0.16 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1fld h GLU 101 CO -0.01 0.79 0.02 -0.09 -0.73 0.00 0.00 179.01 178.99 1fld h ARG 102 N 1.23 0.05 -0.58 1.92 2.43 -0.73 -0.01 114.38 118.69 1fld h ARG 102 Ca 0.33 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1fld h ARG 102 Cb -0.14 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1fld h ARG 102 CO -0.07 0.14 0.24 0.52 -1.51 0.00 0.00 179.97 179.29 1fld h MET 103 N -0.05 0.84 -0.56 0.20 2.86 -1.00 -1.39 114.93 115.83 1fld h MET 103 Ca 0.01 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1fld h MET 103 Cb 0.11 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1fld h MET 103 CO -0.00 0.69 0.11 -0.91 1.06 0.00 0.00 176.91 177.85 1fld h ASN 104 N 0.83 0.87 0.06 1.22 2.35 -1.11 -2.25 115.58 117.55 1fld h ASN 104 Ca 0.20 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1fld h ASN 104 Cb 0.15 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1fld h ASN 104 CO -0.02 0.89 -0.02 1.23 -1.65 0.00 0.00 177.43 177.87 1fld h GLY 105 N 0.80 0.00 0.02 2.83 0.00 0.06 -0.19 103.07 106.60 1fld h GLY 105 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1fld h GLY 105 CO 0.01 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.83 1fld n TYR 106 N -3.67 0.02 -0.25 5.60 4.01 -0.79 -4.92 117.16 117.16 1fld n TYR 106 Ca -0.03 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1fld n TYR 106 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1fld n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fld n GLY 107 N 1.10 0.80 3.86 2.72 0.00 -0.08 -3.81 105.19 109.77 1fld n GLY 107 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1fld n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fld s VAL 109 N -3.20 3.23 -0.64 0.00 1.01 0.44 -4.46 120.40 116.79 1fld s VAL 109 Ca 0.57 -1.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 1fld s VAL 109 Cb -0.12 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1fld s VAL 109 CO 0.54 -0.10 1.21 -0.69 0.00 0.00 0.00 175.10 176.06 1fld s VAL 110 N 1.31 3.93 0.38 2.92 1.01 -1.26 -0.87 120.40 127.82 1fld s VAL 110 Ca -0.04 0.69 0.11 0.00 0.00 0.00 0.00 61.98 62.75 1fld s VAL 110 Cb -0.19 -4.79 0.12 0.00 0.00 0.00 0.00 36.38 31.52 1fld s VAL 110 CO -0.00 -1.52 1.87 -0.37 0.00 0.00 0.00 175.10 175.08 1fld h VAL 111 N 6.11 1.22 -4.52 2.92 -1.51 -1.69 -3.46 116.25 115.32 1fld h VAL 111 Ca -0.26 -1.02 -0.24 0.00 -1.23 0.00 0.00 66.70 63.95 1fld h VAL 111 Cb 1.05 1.46 -0.15 0.00 -2.13 0.00 0.00 31.29 31.52 1fld h VAL 111 CO 1.22 0.30 -0.62 -1.61 -1.23 0.00 0.00 177.57 175.62 1fld s GLU 112 N -4.45 1.17 0.23 5.19 0.41 -1.26 -5.11 118.70 114.87 1fld s GLU 112 Ca -0.04 -1.61 -0.30 0.00 -0.41 0.00 0.00 54.97 52.61 1fld s GLU 112 Cb 0.15 0.23 -0.10 0.00 -1.78 0.00 0.00 34.13 32.64 1fld s GLU 112 CO 0.73 -0.36 1.37 0.99 -0.49 0.00 0.00 175.26 177.50 1fld s THR 113 N -4.12 2.90 0.39 3.63 2.01 -1.26 -4.79 115.64 114.40 1fld s THR 113 Ca 0.36 0.76 -0.27 0.00 0.31 0.00 0.00 61.69 62.85 1fld s THR 113 Cb 0.07 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.99 1fld s THR 113 CO 0.10 0.12 1.43 -2.65 -0.69 0.00 0.00 174.62 172.94 1fld n PRO 114 N 2.34 2.46 -3.29 4.92 -0.02 -1.26 -4.87 135.00 135.28 1fld n PRO 114 Ca 0.06 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 62.00 1fld n PRO 114 Cb 0.41 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.22 1fld n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fld s LEU 115 N -2.04 4.16 -0.04 2.45 2.96 -0.39 -4.97 118.68 120.82 1fld s LEU 115 Ca 0.56 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 1fld s LEU 115 Cb -0.48 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 1fld s LEU 115 CO 0.62 -0.33 -0.20 0.27 -1.32 0.00 0.00 176.35 175.39 1fld s ILE 116 N 2.26 1.65 -0.02 6.68 -4.36 -1.26 -1.54 121.20 124.62 1fld s ILE 116 Ca 0.18 -0.86 0.02 0.00 -0.26 0.00 0.00 60.65 59.73 1fld s ILE 116 Cb -0.16 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.16 1fld s ILE 116 CO 0.11 0.47 -0.08 -0.69 0.24 0.00 0.00 174.94 174.98 1fld s VAL 117 N -0.21 0.69 -0.14 8.37 1.01 -0.97 -5.00 120.40 124.14 1fld s VAL 117 Ca 0.01 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1fld s VAL 117 Cb -0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1fld s VAL 117 CO 0.01 0.21 1.03 -1.58 0.00 0.00 0.00 175.10 174.78 1fld s GLN 118 N 0.09 4.37 4.49 2.72 0.74 -1.26 -1.69 119.66 129.11 1fld s GLN 118 Ca -0.01 1.40 0.00 0.00 0.05 0.00 0.00 55.36 56.80 1fld s GLN 118 Cb -0.07 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1fld s GLN 118 CO 0.00 -0.43 0.00 0.09 -0.55 0.00 0.00 175.29 174.40 1fld n ASN 119 N 5.45 0.00 -4.75 6.67 3.02 0.46 -4.66 115.26 121.46 1fld n ASN 119 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1fld n ASN 119 Cb 0.48 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.61 1fld n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1fld s GLU 120 N 0.00 4.54 -1.18 3.52 2.12 -1.26 -4.71 118.70 121.74 1fld s GLU 120 Ca 0.00 1.86 -0.21 0.00 0.36 0.00 0.00 54.97 56.98 1fld s GLU 120 Cb 0.00 -3.21 -0.00 0.00 0.26 0.00 0.00 34.13 31.18 1fld s GLU 120 CO 0.00 0.03 1.79 -1.25 -0.54 0.00 0.00 175.26 175.29 1fld s PRO 121 N -0.81 3.25 0.00 4.30 0.04 -1.26 -4.68 135.00 135.84 1fld s PRO 121 Ca 0.49 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 60.13 1fld s PRO 121 Cb -0.33 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 28.85 1fld s PRO 121 CO 0.39 -2.98 0.00 -3.47 0.04 0.00 0.00 177.00 170.98 1fld n ASP 122 N 11.19 0.00 0.25 6.66 2.03 -1.26 -3.94 116.55 131.48 1fld n ASP 122 Ca 0.44 0.22 0.16 0.00 0.52 0.00 0.00 54.79 56.14 1fld n ASP 122 Cb 0.47 -0.33 0.61 0.00 -0.72 0.00 0.00 41.12 41.15 1fld n ASP 122 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1fld h GLU 123 N 0.00 0.00 -0.58 -0.67 4.11 -1.99 -3.04 114.58 112.41 1fld h GLU 123 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fld h GLU 123 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fld h GLU 123 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 1fld n ALA 124 N -2.05 2.79 -0.14 1.06 0.00 -1.26 -4.52 120.51 116.39 1fld n ALA 124 Ca 0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 53.44 52.39 1fld n ALA 124 Cb 0.32 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.81 1fld n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fld h GLU 125 N 2.83 0.29 -0.40 0.00 5.08 -1.65 -1.57 114.58 119.15 1fld h GLU 125 Ca 0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1fld h GLU 125 Cb 0.97 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1fld h GLU 125 CO 0.12 0.19 0.01 0.37 -1.00 0.00 0.00 179.01 178.70 1fld h GLN 126 N 0.30 0.63 -0.91 2.33 5.75 -1.88 -1.69 115.11 119.65 1fld h GLN 126 Ca 0.21 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1fld h GLN 126 Cb 0.22 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1fld h GLN 126 CO -0.23 0.65 0.60 -0.44 -2.65 0.00 0.00 178.83 176.75 1fld h ASP 127 N 0.60 1.02 -0.23 -0.69 3.32 -1.62 0.12 116.42 118.94 1fld h ASP 127 Ca 0.13 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1fld h ASP 127 Cb 0.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1fld h ASP 127 CO 0.01 0.73 0.01 0.00 -1.72 0.00 0.00 179.24 178.27 1fld h ILE 129 N 0.18 1.06 -0.24 0.00 2.04 -0.81 -2.31 117.51 117.42 1fld h ILE 129 Ca 0.07 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1fld h ILE 129 Cb 0.38 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1fld h ILE 129 CO 0.01 0.14 -0.10 -0.33 0.00 0.00 0.00 178.15 177.87 1fld h GLU 130 N 0.74 0.39 -0.57 2.37 4.39 -0.62 -1.40 114.58 119.89 1fld h GLU 130 Ca 0.26 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1fld h GLU 130 Cb 0.05 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1fld h GLU 130 CO -0.12 0.50 0.13 0.35 -1.16 0.00 0.00 179.01 178.71 1fld h PHE 131 N 0.37 0.96 -0.66 4.33 3.57 -0.90 -1.28 116.94 123.32 1fld h PHE 131 Ca 0.07 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1fld h PHE 131 Cb 0.40 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1fld h PHE 131 CO 0.01 0.83 0.35 0.78 -2.23 0.00 0.00 178.31 178.05 1fld h GLY 132 N 0.81 1.00 1.47 2.40 0.00 -0.83 -1.63 103.07 106.30 1fld h GLY 132 Ca 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1fld h GLY 132 CO 0.00 0.45 0.09 0.50 0.00 0.00 0.00 176.54 177.58 1fld h LYS 133 N 0.91 0.67 -0.37 4.80 1.57 -0.88 -1.28 116.57 122.00 1fld h LYS 133 Ca 0.23 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1fld h LYS 133 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1fld h LYS 133 CO -0.03 0.63 -0.01 0.87 -0.57 0.00 0.00 179.45 180.34 1fld h LYS 134 N 0.65 0.66 -0.65 3.15 1.57 -0.70 -2.97 116.57 118.28 1fld h LYS 134 Ca 0.15 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1fld h LYS 134 Cb 0.28 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1fld h LYS 134 CO 0.00 0.77 0.26 0.82 -0.57 0.00 0.00 179.45 180.73 1fld h ILE 135 N 0.48 1.23 0.00 1.86 2.04 -0.97 -2.07 117.51 120.09 1fld h ILE 135 Ca 0.11 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1fld h ILE 135 Cb 0.48 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1fld h ILE 135 CO 0.02 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.46 1fld h ALA 136 N 1.34 1.00 -0.35 1.87 0.00 -1.08 -2.53 119.26 119.51 1fld h ALA 136 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1fld h ALA 136 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1fld h ALA 136 CO -0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1fld n ASN 137 N -2.74 2.86 -0.43 0.00 4.13 -0.78 -5.06 115.26 113.24 1fld n ASN 137 Ca -0.01 -1.91 0.14 0.00 1.68 0.00 0.00 54.58 54.48 1fld n ASN 137 Cb 0.16 -0.23 0.57 0.00 -1.54 0.00 0.00 39.78 38.74 1fld n ASN 137 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16