#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbl h HIS 52 N 0.00 0.94 -0.41 -0.72 3.86 -2.05 -1.11 115.15 115.65 3fbl h HIS 52 Ca 0.00 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.09 3fbl h HIS 52 Cb 0.00 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3fbl h HIS 52 CO 0.00 0.68 -0.10 0.87 0.86 0.00 0.00 177.93 180.24 3fbl h LYS 53 N 0.93 0.79 -0.09 2.45 1.57 -2.05 -2.51 116.57 117.65 3fbl h LYS 53 Ca 0.24 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3fbl h LYS 53 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3fbl h LYS 53 CO -0.04 0.92 -0.02 1.25 -0.57 0.00 0.00 179.45 181.00 3fbl h LEU 54 N 0.61 -0.07 -0.70 2.94 5.85 -1.93 -1.41 115.31 120.61 3fbl h LEU 54 Ca 0.10 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.95 3fbl h LEU 54 Cb 0.63 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 3fbl h LEU 54 CO 0.04 -0.02 0.31 0.03 -0.34 0.00 0.00 178.44 178.46 3fbl h ARG 55 N 0.01 0.50 -0.40 1.25 3.08 -1.13 0.14 114.38 117.83 3fbl h ARG 55 Ca 0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3fbl h ARG 55 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3fbl h ARG 55 CO -0.09 0.33 0.22 -0.07 -1.07 0.00 0.00 179.97 179.29 3fbl h LEU 56 N 0.51 0.50 -0.85 3.04 3.38 -1.28 -2.22 115.31 118.39 3fbl h LEU 56 Ca 0.36 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3fbl h LEU 56 Cb 0.44 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3fbl h LEU 56 CO -0.31 0.45 0.27 0.00 0.09 0.00 0.00 178.44 178.93 3fbl h ALA 57 N 1.07 1.08 -0.69 1.53 0.00 -0.10 -2.38 119.26 119.77 3fbl h ALA 57 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3fbl h ALA 57 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3fbl h ALA 57 CO -0.02 0.64 0.22 0.82 0.00 0.00 0.00 179.25 180.91 3fbl h ILE 58 N 1.08 1.25 -0.92 0.00 2.04 -0.66 -1.62 117.51 118.69 3fbl h ILE 58 Ca 0.24 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.25 3fbl h ILE 58 Cb 0.24 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3fbl h ILE 58 CO -0.02 0.34 0.60 0.11 0.00 0.00 0.00 178.15 179.18 3fbl h LYS 59 N 1.01 1.21 -0.43 2.37 1.57 -1.11 0.97 116.57 122.16 3fbl h LYS 59 Ca 0.22 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 3fbl h LYS 59 Cb 0.29 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3fbl h LYS 59 CO -0.01 0.81 -0.22 0.93 -0.57 0.00 0.00 179.45 180.39 3fbl h GLU 60 N 1.25 0.86 -0.42 3.15 4.39 -1.10 -0.09 114.58 122.62 3fbl h GLU 60 Ca 0.34 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3fbl h GLU 60 Cb -0.14 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3fbl h GLU 60 CO -0.07 0.99 0.20 0.82 -1.16 0.00 0.00 179.01 179.79 3fbl h ILE 61 N 0.74 1.18 -0.64 3.13 2.04 -0.80 -1.41 117.51 121.76 3fbl h ILE 61 Ca 0.10 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.50 3fbl h ILE 61 Cb 0.75 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3fbl h ILE 61 CO 0.06 0.19 0.37 0.00 0.00 0.00 0.00 178.15 178.78 3fbl h LYS 63 N 0.72 0.48 -0.85 0.00 1.57 -0.82 -0.96 116.57 116.71 3fbl h LYS 63 Ca 0.27 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3fbl h LYS 63 Cb 0.10 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3fbl h LYS 63 CO -0.14 0.34 0.53 1.15 -0.57 0.00 0.00 179.45 180.76 3fbl h THR 64 N 0.48 1.23 -0.09 -0.16 2.02 -0.92 -2.34 112.91 113.12 3fbl h THR 64 Ca 0.13 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3fbl h THR 64 Cb -0.03 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 3fbl h THR 64 CO -0.03 0.23 0.00 0.47 0.37 0.00 0.00 175.52 176.57 3fbl n ASP 65 N -4.38 1.13 -3.51 4.18 9.92 -0.42 -4.93 116.55 118.54 3fbl n ASP 65 Ca 0.09 -1.55 -0.25 0.00 -0.53 0.00 0.00 54.79 52.55 3fbl n ASP 65 Cb 0.05 -0.06 0.06 0.00 -0.64 0.00 0.00 41.12 40.53 3fbl n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fbl n GLY 66 N 1.05 -0.53 3.72 0.44 0.00 -0.88 -4.96 105.19 104.03 3fbl n GLY 66 Ca 0.17 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 3fbl n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fbl s ILE 67 N -3.27 3.26 0.26 -0.61 -1.09 -0.42 -4.97 121.20 114.36 3fbl s ILE 67 Ca 0.53 0.92 -0.31 0.00 -2.23 0.00 0.00 60.65 59.56 3fbl s ILE 67 Cb -0.24 -3.59 -0.13 0.00 -1.58 0.00 0.00 42.46 36.92 3fbl s ILE 67 CO 0.66 0.08 1.45 -2.65 -1.23 0.00 0.00 174.94 173.25 3fbl n PRO 68 N 3.82 2.23 0.30 2.79 -0.02 -1.26 -4.85 135.00 138.01 3fbl n PRO 68 Ca 0.11 0.79 0.19 0.00 -2.02 0.00 0.00 63.50 62.57 3fbl n PRO 68 Cb 0.42 -2.48 0.91 0.00 -0.02 0.00 0.00 33.50 32.33 3fbl n PRO 68 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 3fbl h ASN 69 N 4.28 0.00 0.41 2.55 7.08 -1.98 -0.78 115.58 127.14 3fbl h ASN 69 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 3fbl h ASN 69 Cb 1.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.50 3fbl h ASN 69 CO 0.76 0.02 0.00 2.30 -2.08 0.00 0.00 177.43 178.43 3fbl n ILE 70 N -3.17 0.62 0.70 6.14 -5.35 -1.26 -2.42 119.36 114.62 3fbl n ILE 70 Ca -0.01 0.16 0.08 0.00 -0.27 0.00 0.00 62.75 62.71 3fbl n ILE 70 Cb 0.20 -0.87 -0.10 0.00 -1.74 0.00 0.00 39.64 37.13 3fbl n ILE 70 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3fbl n LYS 71 N -1.36 1.15 -0.27 6.28 4.76 -0.30 -4.60 118.16 123.82 3fbl n LYS 71 Ca 0.07 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3fbl n LYS 71 Cb 0.16 -1.34 0.13 0.00 -1.84 0.00 0.00 35.03 32.14 3fbl n LYS 71 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 3fbl h TRP 72 N 0.00 0.83 -1.00 2.13 4.06 -1.56 -1.85 115.95 118.57 3fbl h TRP 72 Ca 0.00 0.03 0.20 0.00 2.06 0.00 0.00 58.89 61.18 3fbl h TRP 72 Cb 0.47 -0.26 -0.10 0.00 -1.00 0.00 0.00 29.16 28.27 3fbl h TRP 72 CO 0.00 0.39 0.61 0.78 -3.56 0.00 0.00 178.44 176.66 3fbl h GLY 73 N 0.81 1.67 0.98 1.49 0.00 -1.81 0.24 103.07 106.45 3fbl h GLY 73 Ca 0.35 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 3fbl h GLY 73 CO -0.20 -0.07 0.03 -0.33 0.00 0.00 0.00 176.54 175.98 3fbl h MET 74 N 0.70 0.80 -0.50 4.80 2.86 -1.64 -1.00 114.93 120.95 3fbl h MET 74 Ca 0.57 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.86 3fbl h MET 74 Cb 0.98 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 3fbl h MET 74 CO -0.36 0.83 -0.13 1.88 1.06 0.00 0.00 176.91 180.19 3fbl h TYR 75 N 0.66 1.06 -0.01 -0.22 0.05 -1.17 -1.56 116.97 115.79 3fbl h TYR 75 Ca 0.14 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 3fbl h TYR 75 Cb 0.45 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 3fbl h TYR 75 CO 0.03 1.01 0.01 0.82 -1.05 0.00 0.00 178.16 178.98 3fbl h ILE 76 N 0.84 1.05 -0.59 -2.88 2.04 -0.86 -0.95 117.51 116.17 3fbl h ILE 76 Ca 0.13 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3fbl h ILE 76 Cb 0.68 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3fbl h ILE 76 CO 0.05 0.04 0.35 0.00 0.00 0.00 0.00 178.15 178.59 3fbl h ALA 77 N 0.94 0.76 -0.34 1.87 0.00 -1.17 -0.06 119.26 121.27 3fbl h ALA 77 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fbl h ALA 77 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3fbl h ALA 77 CO -0.00 0.08 0.14 0.35 0.00 0.00 0.00 179.25 179.82 3fbl h PHE 78 N 0.70 0.26 -0.34 0.00 3.57 -1.16 -1.86 116.94 118.10 3fbl h PHE 78 Ca 0.24 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 3fbl h PHE 78 Cb 0.03 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3fbl h PHE 78 CO -0.06 0.13 -0.05 0.78 -2.23 0.00 0.00 178.31 176.87 3fbl h GLY 79 N 0.30 0.69 0.96 2.40 0.00 -0.80 -1.08 103.07 105.54 3fbl h GLY 79 Ca 0.15 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3fbl h GLY 79 CO -0.13 0.50 0.18 0.83 0.00 0.00 0.00 176.54 177.93 3fbl h GLU 80 N 0.42 0.69 -0.48 4.80 5.08 -0.98 0.24 114.58 124.36 3fbl h GLU 80 Ca 0.09 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3fbl h GLU 80 Cb 0.54 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3fbl h GLU 80 CO 0.03 0.63 0.22 -0.22 -1.00 0.00 0.00 179.01 178.66 3fbl h LYS 81 N 0.60 0.71 -0.53 2.33 3.64 -1.30 -2.34 116.57 119.68 3fbl h LYS 81 Ca 0.15 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3fbl h LYS 81 Cb 0.19 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3fbl h LYS 81 CO -0.01 0.61 0.09 1.25 -2.27 0.00 0.00 179.45 179.12 3fbl h LEU 82 N 0.64 0.83 -0.14 5.20 5.85 -0.91 -2.28 115.31 124.50 3fbl h LEU 82 Ca 0.16 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3fbl h LEU 82 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3fbl h LEU 82 CO -0.02 0.88 0.00 0.25 -0.34 0.00 0.00 178.44 179.22 3fbl h LEU 83 N 0.75 -0.05 -0.64 2.25 5.85 -0.87 0.18 115.31 122.79 3fbl h LEU 83 Ca 0.16 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3fbl h LEU 83 Cb 0.40 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3fbl h LEU 83 CO 0.01 -0.00 0.36 0.50 -0.34 0.00 0.00 178.44 178.97 3fbl h LYS 84 N 0.05 0.67 -0.39 1.25 3.64 -1.30 0.40 116.57 120.88 3fbl h LYS 84 Ca 0.06 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3fbl h LYS 84 Cb 0.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3fbl h LYS 84 CO -0.11 0.44 -0.22 0.77 -2.27 0.00 0.00 179.45 178.07 3fbl h SER 85 N 0.69 0.87 -0.50 4.20 0.02 -1.21 -1.94 113.55 115.68 3fbl h SER 85 Ca 0.28 -0.42 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3fbl h SER 85 Cb 0.13 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3fbl h SER 85 CO -0.16 1.10 0.29 0.22 -1.14 0.00 0.00 176.83 177.14 3fbl h TYR 86 N 0.65 0.53 -0.64 3.45 3.20 -0.24 -1.52 116.97 122.41 3fbl h TYR 86 Ca 0.08 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3fbl h TYR 86 Cb 0.78 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3fbl h TYR 86 CO 0.06 0.29 0.06 -0.07 -1.64 0.00 0.00 178.16 176.87 3fbl h LEU 87 N 0.57 1.04 -0.43 2.82 3.38 -0.87 -1.04 115.31 120.79 3fbl h LEU 87 Ca 0.21 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3fbl h LEU 87 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3fbl h LEU 87 CO -0.11 1.05 0.26 0.50 0.09 0.00 0.00 178.44 180.24 3fbl h LYS 88 N 1.00 0.52 -0.22 1.13 3.64 -1.15 -0.44 116.57 121.04 3fbl h LYS 88 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3fbl h LYS 88 Cb 0.49 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3fbl h LYS 88 CO 0.02 0.34 0.08 0.52 -2.27 0.00 0.00 179.45 178.14 3fbl h MET 89 N 0.53 0.34 -0.30 1.90 2.86 -0.96 -2.07 114.93 117.23 3fbl h MET 89 Ca 0.16 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 3fbl h MET 89 Cb -0.02 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 3fbl h MET 89 CO -0.06 0.40 -0.09 0.87 1.06 0.00 0.00 176.91 179.10 3fbl h LYS 90 N 0.20 -0.02 -0.72 1.72 1.79 -1.12 -1.43 116.57 116.99 3fbl h LYS 90 Ca 0.07 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.59 3fbl h LYS 90 Cb 0.20 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 3fbl h LYS 90 CO -0.00 -0.01 0.47 0.00 -1.08 0.00 0.00 179.45 178.83 3fbl h ALA 91 N 1.27 1.63 -0.34 3.86 0.00 -0.92 -2.58 119.26 122.19 3fbl h ALA 91 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fbl h ALA 91 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fbl h ALA 91 CO -0.32 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3fbl n GLY 92 N -1.44 1.62 3.96 0.00 0.00 -0.79 -4.94 105.19 103.60 3fbl n GLY 92 Ca 0.10 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3fbl n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fbl n SER 93 N 0.46 -3.84 -4.69 1.61 7.64 -0.97 -4.96 113.62 108.88 3fbl n SER 93 Ca 0.14 -0.85 -0.38 0.00 1.01 0.00 0.00 58.87 58.79 3fbl n SER 93 Cb 0.56 -3.60 0.05 0.00 -1.01 0.00 0.00 64.21 60.20 3fbl n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fbl n ALA 94 N -4.57 0.92 -1.30 -0.43 0.00 -0.58 -4.98 120.51 109.58 3fbl n ALA 94 Ca -0.01 0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 3fbl n ALA 94 Cb 0.54 -2.25 0.08 0.00 0.00 0.00 0.00 19.45 17.83 3fbl n ALA 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fbl s SER 95 N -1.11 4.61 0.26 0.00 1.04 -1.26 -4.86 113.70 112.37 3fbl s SER 95 Ca 0.75 1.86 -0.02 0.00 0.48 0.00 0.00 55.95 59.02 3fbl s SER 95 Cb -0.42 -2.53 0.52 0.00 0.10 0.00 0.00 66.02 63.69 3fbl s SER 95 CO 0.47 -1.97 1.72 -1.28 0.98 0.00 0.00 173.24 173.16 3fbl h SER 96 N -0.90 0.29 -0.49 7.02 0.87 -1.99 -1.22 113.55 117.12 3fbl h SER 96 Ca -0.44 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 3fbl h SER 96 Cb 1.23 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 3fbl h SER 96 CO 0.52 0.08 0.28 0.44 -0.53 0.00 0.00 176.83 177.62 3fbl h ASP 97 N 0.44 0.60 -0.49 6.23 3.32 -1.99 -0.63 116.42 123.90 3fbl h ASP 97 Ca 0.45 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3fbl h ASP 97 Cb 0.72 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3fbl h ASP 97 CO -0.44 0.50 0.28 -0.03 -1.72 0.00 0.00 179.24 177.84 3fbl h MET 98 N 0.65 0.67 -0.10 3.56 4.05 -1.83 -0.49 114.93 121.44 3fbl h MET 98 Ca 0.17 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 3fbl h MET 98 Cb 0.03 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 3fbl h MET 98 CO -0.03 0.51 0.02 0.82 0.23 0.00 0.00 176.91 178.47 3fbl h ILE 99 N 0.65 1.20 -0.49 1.77 2.04 -1.00 -1.44 117.51 120.23 3fbl h ILE 99 Ca 0.17 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.48 3fbl h ILE 99 Cb 0.03 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 3fbl h ILE 99 CO -0.03 0.17 0.22 0.00 0.00 0.00 0.00 178.15 178.51 3fbl h ALA 100 N 0.81 0.61 -0.65 1.87 0.00 -1.05 -0.32 119.26 120.53 3fbl h ALA 100 Ca 0.03 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3fbl h ALA 100 Cb 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3fbl h ALA 100 CO 0.00 -0.15 0.40 1.49 0.00 0.00 0.00 179.25 180.99 3fbl h GLU 101 N 0.43 0.75 -0.11 0.00 4.81 -0.95 0.14 114.58 119.65 3fbl h GLU 101 Ca 0.22 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3fbl h GLU 101 Cb 0.17 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3fbl h GLU 101 CO -0.18 0.50 0.00 -0.92 -0.73 0.00 0.00 179.01 177.68 3fbl h TYR 102 N 0.78 0.21 -0.29 0.92 3.20 -0.78 0.82 116.97 121.82 3fbl h TYR 102 Ca 0.27 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3fbl h TYR 102 Cb 0.04 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3fbl h TYR 102 CO -0.05 0.43 0.18 0.82 -1.64 0.00 0.00 178.16 177.90 3fbl h ILE 103 N -0.08 1.09 -0.75 1.81 2.04 -0.88 -0.42 117.51 120.32 3fbl h ILE 103 Ca 0.03 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3fbl h ILE 103 Cb 0.35 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3fbl h ILE 103 CO 0.01 0.08 0.36 0.78 0.00 0.00 0.00 178.15 179.38 3fbl h ASN 104 N 0.38 0.97 -0.71 1.72 2.35 -0.62 0.16 115.58 119.83 3fbl h ASN 104 Ca 0.10 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3fbl h ASN 104 Cb -0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3fbl h ASN 104 CO -0.02 0.82 0.18 0.78 -1.65 0.00 0.00 177.43 177.54 3fbl h ASN 105 N 1.07 1.07 -0.27 5.81 -0.26 -0.47 -0.20 115.58 122.33 3fbl h ASN 105 Ca 0.26 -0.22 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 3fbl h ASN 105 Cb 0.11 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 3fbl h ASN 105 CO -0.03 1.02 -0.05 0.00 -1.06 0.00 0.00 177.43 177.31 3fbl h ALA 106 N 1.11 0.37 -0.66 -0.83 0.00 -0.42 -1.14 119.26 117.69 3fbl h ALA 106 Ca 0.23 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3fbl h ALA 106 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3fbl h ALA 106 CO 0.00 0.16 0.17 0.82 0.00 0.00 0.00 179.25 180.40 3fbl h ILE 107 N 0.27 1.26 -0.22 0.00 2.04 -0.93 -2.01 117.51 117.92 3fbl h ILE 107 Ca 0.07 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3fbl h ILE 107 Cb 0.51 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3fbl h ILE 107 CO 0.02 0.36 0.11 0.28 0.00 0.00 0.00 178.15 178.92 3fbl h SER 108 N 0.98 0.29 -0.32 1.72 0.02 -0.86 -0.38 113.55 115.00 3fbl h SER 108 Ca 0.21 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3fbl h SER 108 Cb 0.35 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3fbl h SER 108 CO 0.00 0.33 0.11 0.00 -1.14 0.00 0.00 176.83 176.13 3fbl h ALA 109 N 0.97 0.41 -0.34 3.77 0.00 -1.17 -2.60 119.26 120.30 3fbl h ALA 109 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fbl h ALA 109 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3fbl h ALA 109 CO -0.01 0.04 0.09 0.35 0.00 0.00 0.00 179.25 179.72 3fbl h PHE 110 N 0.36 0.57 0.00 0.00 3.57 -1.31 -2.96 116.94 117.16 3fbl h PHE 110 Ca 0.10 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3fbl h PHE 110 Cb 0.23 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3fbl h PHE 110 CO 0.00 0.57 0.00 0.43 -2.23 0.00 0.00 178.31 177.09 3fbl n SER 111 N -4.63 0.40 0.05 0.41 7.64 -0.16 -2.25 113.62 115.07 3fbl n SER 111 Ca -0.02 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.60 3fbl n SER 111 Cb 0.19 -0.69 0.51 0.00 -1.01 0.00 0.00 64.21 63.22 3fbl n SER 111 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3fbl n SER 112 N -1.95 0.35 -4.76 6.43 3.41 -0.98 -4.79 113.62 111.34 3fbl n SER 112 Ca 0.02 0.54 -0.40 0.00 -0.26 0.00 0.00 58.87 58.77 3fbl n SER 112 Cb 0.19 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 3fbl n SER 112 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fbl s ARG 113 N -3.05 4.65 0.29 4.33 0.52 -0.96 -5.01 118.95 119.73 3fbl s ARG 113 Ca 0.12 1.73 -0.29 0.00 -0.52 0.00 0.00 55.73 56.77 3fbl s ARG 113 Cb 0.16 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.36 3fbl s ARG 113 CO 0.54 0.25 1.17 0.99 0.02 0.00 0.00 175.30 178.27 3fbl s THR 114 N -1.19 3.23 0.00 0.02 2.01 -1.26 -2.74 115.64 115.70 3fbl s THR 114 Ca 0.45 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.67 3fbl s THR 114 Cb -0.30 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.42 3fbl s THR 114 CO 0.39 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 3fbl n GLY 115 N 1.09 0.76 3.59 4.40 0.00 -1.26 -5.04 105.19 108.73 3fbl n GLY 115 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3fbl n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fbl s ILE 116 N -2.79 3.91 -0.26 -0.61 -1.09 -1.11 -5.02 121.20 114.25 3fbl s ILE 116 Ca 0.00 -0.39 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 3fbl s ILE 116 Cb 0.00 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.20 3fbl s ILE 116 CO 0.00 0.58 0.16 -0.55 -1.23 0.00 0.00 174.94 173.89 3fbl s SER 117 N -0.56 5.92 0.22 3.58 0.15 -1.26 -4.88 113.70 116.86 3fbl s SER 117 Ca 0.09 0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.66 3fbl s SER 117 Cb -0.12 -2.08 0.19 0.00 -1.71 0.00 0.00 66.02 62.30 3fbl s SER 117 CO 0.02 0.01 1.88 -0.61 1.20 0.00 0.00 173.24 175.74 3fbl h GLN 118 N 7.93 1.01 -0.70 5.44 4.15 -1.94 -1.61 115.11 129.39 3fbl h GLN 118 Ca -0.37 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.07 3fbl h GLN 118 Cb 1.18 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.58 3fbl h GLN 118 CO 0.60 0.67 0.38 0.93 -1.93 0.00 0.00 178.83 179.47 3fbl h GLU 119 N 1.04 0.65 -0.22 1.69 5.08 -1.99 0.49 114.58 121.32 3fbl h GLU 119 Ca 0.30 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 3fbl h GLU 119 Cb -0.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3fbl h GLU 119 CO -0.08 0.43 -0.49 1.15 -1.00 0.00 0.00 179.01 179.02 3fbl h THR 120 N 0.67 1.30 -0.71 1.13 2.02 -1.92 -1.26 112.91 114.14 3fbl h THR 120 Ca 0.32 -1.70 0.10 0.00 0.77 0.00 0.00 66.41 65.90 3fbl h THR 120 Cb 0.26 1.80 -0.08 0.00 -1.74 0.00 0.00 68.15 68.39 3fbl h THR 120 CO -0.21 0.54 0.33 0.00 0.37 0.00 0.00 175.52 176.55 3fbl h ALA 121 N 0.62 0.99 -0.61 6.16 0.00 -0.96 -1.70 119.26 123.75 3fbl h ALA 121 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fbl h ALA 121 Cb 1.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3fbl h ALA 121 CO 0.11 -0.10 0.24 0.37 0.00 0.00 0.00 179.25 179.87 3fbl h GLN 122 N 0.55 0.91 -0.94 0.00 5.75 -0.68 -1.75 115.11 118.94 3fbl h GLN 122 Ca 0.36 -0.17 0.08 0.00 -0.15 0.00 0.00 58.65 58.77 3fbl h GLN 122 Cb 0.43 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 28.77 3fbl h GLN 122 CO -0.30 0.78 0.59 0.87 -2.65 0.00 0.00 178.83 178.12 3fbl h LYS 123 N 0.85 1.01 -0.08 1.69 1.57 -0.63 0.21 116.57 121.20 3fbl h LYS 123 Ca 0.20 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3fbl h LYS 123 Cb 0.21 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3fbl h LYS 123 CO -0.02 0.67 -0.00 0.82 -0.57 0.00 0.00 179.45 180.36 3fbl h ILE 124 N 1.04 1.25 -0.57 1.86 2.04 -1.04 0.78 117.51 122.87 3fbl h ILE 124 Ca 0.43 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.56 3fbl h ILE 124 Cb 0.25 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 3fbl h ILE 124 CO -0.20 0.22 0.28 0.00 0.00 0.00 0.00 178.15 178.45 3fbl h ALA 125 N 0.73 0.74 -0.56 1.87 0.00 -1.07 -1.20 119.26 119.78 3fbl h ALA 125 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fbl h ALA 125 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3fbl h ALA 125 CO 0.00 -0.09 0.32 -0.44 0.00 0.00 0.00 179.25 179.05 3fbl h ASP 126 N 0.52 0.68 -0.57 0.00 3.32 -0.44 -0.62 116.42 119.31 3fbl h ASP 126 Ca 0.26 -0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.30 3fbl h ASP 126 Cb 0.21 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3fbl h ASP 126 CO -0.20 0.56 0.27 0.15 -1.72 0.00 0.00 179.24 178.29 3fbl h PHE 127 N 0.75 0.48 0.28 4.55 3.57 -0.55 -1.60 116.94 124.42 3fbl h PHE 127 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3fbl h PHE 127 Cb 0.02 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3fbl h PHE 127 CO -0.02 0.20 -0.13 0.82 -2.23 0.00 0.00 178.31 176.95 3fbl h ILE 128 N 0.50 0.73 0.00 1.41 2.04 -0.77 -2.24 117.51 119.18 3fbl h ILE 128 Ca 0.27 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.10 3fbl h ILE 128 Cb 0.23 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3fbl h ILE 128 CO -0.21 0.01 0.00 0.71 0.00 0.00 0.00 178.15 178.65 3fbl h THR 129 N -0.39 0.00 0.00 -0.27 1.35 -1.00 -0.00 112.91 112.60 3fbl h THR 129 Ca -0.04 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3fbl h THR 129 Cb 0.30 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3fbl h THR 129 CO 0.06 0.00 -0.98 -1.54 -0.25 0.00 0.00 175.52 172.81 3fbl n SER 130 N -2.51 0.70 -0.00 5.36 3.41 -0.61 -4.54 113.62 115.43 3fbl n SER 130 Ca 0.02 -0.52 0.01 0.00 -0.26 0.00 0.00 58.87 58.13 3fbl n SER 130 Cb 0.30 0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 3fbl n SER 130 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fbl n ASN 131 N -1.71 3.27 0.00 4.04 3.02 -0.85 -5.08 115.26 117.95 3fbl n ASN 131 Ca 0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3fbl n ASN 131 Cb 0.38 1.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.64 3fbl n ASN 131 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42