#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl n ASN 9 N 0.00 -5.09 -4.47 0.55 2.85 -1.26 -5.00 115.26 102.84 1ibl n ASN 9 Ca 0.00 0.68 -0.43 0.00 -0.11 0.00 0.00 54.58 54.71 1ibl n ASN 9 Cb 0.00 -3.23 -0.08 0.00 1.24 0.00 0.00 39.78 37.70 1ibl n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ibl s LEU 10 N -0.97 4.95 0.27 1.20 1.98 -1.26 -4.94 118.68 119.91 1ibl s LEU 10 Ca 0.02 -0.77 0.08 0.00 -2.89 0.00 0.00 54.13 50.57 1ibl s LEU 10 Cb -0.00 -2.38 0.46 0.00 0.66 0.00 0.00 46.19 44.92 1ibl s LEU 10 CO 0.40 -0.64 1.10 -1.20 -1.89 0.00 0.00 176.35 174.13 1ibl n SER 11 N 5.66 0.22 -2.14 3.68 7.64 -1.26 -2.83 113.62 124.59 1ibl n SER 11 Ca -0.08 0.44 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 1ibl n SER 11 Cb 0.47 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 63.15 1ibl n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ibl n ALA 12 N -1.45 6.47 -0.04 -0.43 0.00 -1.26 -2.63 120.51 121.16 1ibl n ALA 12 Ca -0.01 -2.06 -0.00 0.00 0.00 0.00 0.00 53.44 51.37 1ibl n ALA 12 Cb 0.39 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.33 1ibl n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibl n LEU 13 N 2.44 0.00 -0.38 0.00 4.32 -1.13 -4.13 117.00 118.12 1ibl n LEU 13 Ca 0.46 0.00 0.33 0.00 -0.02 0.00 0.00 56.01 56.78 1ibl n LEU 13 Cb 0.84 0.20 0.66 0.00 -1.62 0.00 0.00 43.42 43.50 1ibl n LEU 13 CO 0.19 0.20 1.29 0.50 -1.22 0.00 0.00 177.39 178.35 1ibl h LYS 14 N 0.00 0.14 -0.53 3.23 3.64 -1.80 0.76 116.57 122.01 1ibl h LYS 14 Ca -0.22 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.07 1ibl h LYS 14 Cb 1.39 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1ibl h LYS 14 CO 0.01 0.09 0.03 0.00 -2.27 0.00 0.00 179.45 177.31 1ibl h ARG 15 N 0.14 0.91 -0.35 1.90 2.47 -1.84 0.12 114.38 117.73 1ibl h ARG 15 Ca 0.66 -0.28 -0.08 0.00 -1.26 0.00 0.00 59.98 59.02 1ibl h ARG 15 Cb 2.21 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 30.43 1ibl h ARG 15 CO -0.18 0.92 -0.09 1.25 0.56 0.00 0.00 179.97 182.43 1ibl h HIS 16 N 0.79 0.77 -0.52 3.04 2.76 0.08 0.36 115.15 122.43 1ibl h HIS 16 Ca 0.15 -0.17 0.11 0.00 -2.20 0.00 0.00 60.37 58.26 1ibl h HIS 16 Cb 0.49 -0.19 -0.10 0.00 1.55 0.00 0.00 27.41 29.16 1ibl h HIS 16 CO 0.04 0.84 -0.13 -0.09 -1.30 0.00 0.00 177.93 177.29 1ibl h ARG 17 N 0.47 -0.00 -0.14 5.26 2.43 -0.17 -2.25 114.38 119.98 1ibl h ARG 17 Ca 0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1ibl h ARG 17 Cb 0.60 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1ibl h ARG 17 CO 0.04 -0.00 -0.16 1.96 -1.51 0.00 0.00 179.97 180.29 1ibl h GLN 18 N -0.00 0.36 -1.09 0.20 4.20 -0.47 -3.15 115.11 115.16 1ibl h GLN 18 Ca 0.25 -0.20 0.31 0.00 0.06 0.00 0.00 58.65 59.07 1ibl h GLN 18 Cb 0.39 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.06 1ibl h GLN 18 CO -0.54 0.76 0.69 0.66 -0.67 0.00 0.00 178.83 179.73 1ibl h SER 19 N -0.02 0.44 -0.76 1.46 4.64 -0.36 0.45 113.55 119.40 1ibl h SER 19 Ca 0.02 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1ibl h SER 19 Cb 0.70 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 1ibl h SER 19 CO 0.04 -0.01 0.31 -0.07 -0.87 0.00 0.00 176.83 176.23 1ibl h LEU 20 N 0.33 1.05 -0.15 5.97 3.38 -1.41 1.51 115.31 126.00 1ibl h LEU 20 Ca 0.67 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.42 1ibl h LEU 20 Cb 1.75 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1ibl h LEU 20 CO -0.39 0.93 -0.15 0.11 0.09 0.00 0.00 178.44 179.03 1ibl h LYS 21 N 1.12 0.36 -0.73 1.13 1.57 -0.28 -0.30 116.57 119.44 1ibl h LYS 21 Ca 0.26 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ibl h LYS 21 Cb 0.20 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1ibl h LYS 21 CO -0.02 0.75 0.46 0.00 -0.57 0.00 0.00 179.45 180.07 1ibl h ARG 22 N -0.01 0.97 0.10 3.15 3.08 -0.78 0.90 114.38 121.78 1ibl h ARG 22 Ca 0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ibl h ARG 22 Cb 0.69 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ibl h ARG 22 CO 0.04 0.67 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.43 1ibl h ARG 23 N 0.99 -0.18 -1.15 0.04 2.43 0.23 -1.49 114.38 115.24 1ibl h ARG 23 Ca 0.26 0.01 0.33 0.00 -0.81 0.00 0.00 59.98 59.78 1ibl h ARG 23 Cb -0.07 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1ibl h ARG 23 CO -0.05 -0.12 0.84 1.25 -1.51 0.00 0.00 179.97 180.38 1ibl h LEU 24 N -0.18 0.00 -0.34 3.80 5.85 -0.87 0.16 115.31 123.73 1ibl h LEU 24 Ca -0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1ibl h LEU 24 Cb 0.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1ibl h LEU 24 CO -0.00 0.00 -0.10 -0.09 -0.34 0.00 0.00 178.44 177.91 1ibl h ARG 25 N 0.00 0.67 0.36 1.25 9.65 -0.10 -2.94 114.38 123.27 1ibl h ARG 25 Ca 0.55 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 59.15 1ibl h ARG 25 Cb 2.23 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.78 1ibl h ARG 25 CO -0.01 0.84 -0.17 -0.91 2.80 0.00 0.00 179.97 182.53 1ibl h ASN 26 N 0.45 -0.41 -0.88 -3.80 2.35 0.28 -2.53 115.58 111.04 1ibl h ASN 26 Ca 0.08 -0.14 0.29 0.00 -0.55 0.00 0.00 56.30 55.99 1ibl h ASN 26 Cb 0.61 0.11 -0.16 0.00 0.05 0.00 0.00 38.32 38.92 1ibl h ASN 26 CO 0.04 0.03 0.20 1.17 -1.65 0.00 0.00 177.43 177.22 1ibl n LYS 27 N -5.12 -0.06 0.17 0.81 4.81 -0.65 -0.43 118.16 117.70 1ibl n LYS 27 Ca -0.09 1.28 -0.07 0.00 -0.87 0.00 0.00 58.31 58.56 1ibl n LYS 27 Cb 0.27 -2.13 -0.03 0.00 0.02 0.00 0.00 35.03 33.16 1ibl n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ibl h ALA 28 N 1.76 -0.91 -0.80 3.14 0.00 -1.45 -2.69 119.26 118.31 1ibl h ALA 28 Ca 0.62 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.60 1ibl h ALA 28 Cb 1.45 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 19.27 1ibl h ALA 28 CO -0.77 -0.88 -0.14 0.87 0.00 0.00 0.00 179.25 178.34 1ibl h LYS 29 N -0.52 0.02 0.40 0.00 1.57 -0.30 -1.33 116.57 116.41 1ibl h LYS 29 Ca -0.04 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ibl h LYS 29 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1ibl h LYS 29 CO 0.07 0.02 -0.35 0.87 -0.57 0.00 0.00 179.45 179.49 1ibl h LYS 30 N 0.02 -0.73 -0.87 3.15 1.57 -1.24 -2.72 116.57 115.75 1ibl h LYS 30 Ca 0.40 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.39 1ibl h LYS 30 Cb 0.66 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.98 1ibl h LYS 30 CO -0.79 -0.49 -0.29 0.43 -0.57 0.00 0.00 179.45 177.75 1ibl n SER 31 N -5.46 -0.45 0.33 0.86 7.64 -0.52 0.21 113.62 116.23 1ibl n SER 31 Ca -0.10 1.51 -0.18 0.00 1.01 0.00 0.00 58.87 61.11 1ibl n SER 31 Cb 0.36 -0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 63.07 1ibl n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ibl h ALA 32 N 1.45 -1.13 -0.93 -0.43 0.00 -1.30 -1.04 119.26 115.88 1ibl h ALA 32 Ca 0.36 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1ibl h ALA 32 Cb 0.57 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1ibl h ALA 32 CO -0.88 -1.16 -0.46 -0.89 0.00 0.00 0.00 179.25 175.85 1ibl n ILE 33 N -5.57 -0.56 0.11 0.00 5.41 0.13 -0.92 119.36 117.95 1ibl n ILE 33 Ca -0.13 2.21 -0.07 0.00 1.00 0.00 0.00 62.75 65.76 1ibl n ILE 33 Cb 0.46 -2.82 -0.04 0.00 -0.71 0.00 0.00 39.64 36.53 1ibl n ILE 33 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1ibl h LYS 34 N 0.00 -0.38 -0.91 0.38 1.57 -0.88 0.20 116.57 116.55 1ibl h LYS 34 Ca 0.23 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.18 1ibl h LYS 34 Cb 0.46 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.71 1ibl h LYS 34 CO -0.90 -0.25 -0.35 2.41 -0.57 0.00 0.00 179.45 179.79 1ibl n THR 35 N -3.57 -0.48 0.13 -0.16 -1.04 -0.42 -0.19 114.28 108.56 1ibl n THR 35 Ca -0.05 2.14 -0.14 0.00 -2.04 0.00 0.00 64.05 63.96 1ibl n THR 35 Cb 0.18 -2.83 -0.08 0.00 -1.82 0.00 0.00 70.33 65.78 1ibl n THR 35 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ibl h LEU 36 N 0.00 -0.25 -0.93 -4.42 3.38 -0.92 -0.64 115.31 111.52 1ibl h LEU 36 Ca 0.32 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1ibl h LEU 36 Cb 0.55 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 1ibl h LEU 36 CO -0.91 -0.02 -0.58 0.28 0.09 0.00 0.00 178.44 177.30 1ibl h SER 37 N -0.48 -2.11 0.00 -0.43 0.02 0.16 0.51 113.55 111.22 1ibl h SER 37 Ca -0.03 0.32 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1ibl h SER 37 Cb 0.36 0.93 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1ibl h SER 37 CO 0.05 -0.24 0.00 0.29 -1.14 0.00 0.00 176.83 175.79 1ibl n LYS 38 N -5.22 0.00 0.00 3.45 5.02 0.23 -1.74 118.16 119.90 1ibl n LYS 38 Ca 0.02 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1ibl n LYS 38 Cb 0.26 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1ibl n LYS 38 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ibl n LYS 39 N -1.88 0.00 -0.19 1.97 0.00 0.43 0.26 118.16 118.75 1ibl n LYS 39 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ibl n LYS 39 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.13 1ibl n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ibl h ALA 40 N 0.00 0.73 0.24 3.14 0.00 0.67 -2.05 119.26 122.00 1ibl h ALA 40 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ibl h ALA 40 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ibl h ALA 40 CO 0.00 -0.24 -0.12 0.82 0.00 0.00 0.00 179.25 179.72 1ibl h ILE 41 N 0.35 0.81 0.00 0.00 2.04 0.43 -2.06 117.51 119.08 1ibl h ILE 41 Ca 0.30 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1ibl h ILE 41 Cb 0.39 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1ibl h ILE 41 CO -0.33 0.07 0.19 1.67 0.00 0.00 0.00 178.15 179.75 1ibl n GLN 42 N -5.16 0.02 -0.10 2.37 0.00 -0.08 0.87 117.38 115.30 1ibl n GLN 42 Ca -0.09 0.39 -0.19 0.00 -0.00 0.00 0.00 57.00 57.10 1ibl n GLN 42 Cb 0.20 -1.76 -0.12 0.00 0.00 0.00 0.00 30.24 28.56 1ibl n GLN 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ibl n LEU 43 N -1.50 2.83 0.17 1.69 4.77 -0.81 -3.35 117.00 120.80 1ibl n LEU 43 Ca -0.00 -0.03 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1ibl n LEU 43 Cb 0.19 -0.96 0.30 0.00 -2.33 0.00 0.00 43.42 40.63 1ibl n LEU 43 CO 0.01 0.89 0.65 0.00 -1.33 0.00 0.00 177.39 177.62 1ibl h ALA 44 N -0.04 1.22 0.49 -1.18 0.00 -0.73 0.43 119.26 119.44 1ibl h ALA 44 Ca -0.55 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 1ibl h ALA 44 Cb 1.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1ibl h ALA 44 CO -0.07 0.56 -0.38 0.37 0.00 0.00 0.00 179.25 179.74 1ibl h GLN 45 N 0.00 -0.82 0.00 0.00 -0.00 0.33 0.18 115.11 114.80 1ibl h GLN 45 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1ibl h GLN 45 Cb 0.81 0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.48 1ibl h GLN 45 CO 0.06 -0.55 0.00 0.39 0.00 0.00 0.00 178.83 178.73 1ibl n GLU 46 N -5.49 0.86 -2.42 1.69 1.02 -0.90 -4.88 120.64 110.52 1ibl n GLU 46 Ca -0.11 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.82 1ibl n GLU 46 Cb 0.39 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 1ibl n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ibl n GLY 47 N 0.45 -0.47 2.79 0.62 0.00 0.93 -4.91 105.19 104.62 1ibl n GLY 47 Ca 0.05 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ibl n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ibl n LYS 48 N -3.00 4.61 -0.34 1.61 5.02 0.11 -4.79 118.16 121.38 1ibl n LYS 48 Ca -0.23 -4.22 0.12 0.00 -2.02 0.00 0.00 58.31 51.97 1ibl n LYS 48 Cb 0.68 -2.60 0.25 0.00 -0.02 0.00 0.00 35.03 33.34 1ibl n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibl n ALA 49 N 1.49 0.43 -0.67 7.82 0.00 -1.26 -1.87 120.51 126.45 1ibl n ALA 49 Ca 0.40 1.06 0.00 0.00 0.00 0.00 0.00 53.44 54.90 1ibl n ALA 49 Cb 0.30 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1ibl n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ibl n GLU 50 N -5.50 0.00 0.15 0.00 -0.58 -1.26 -0.79 120.64 112.65 1ibl n GLU 50 Ca 0.21 0.28 0.13 0.00 -0.42 0.00 0.00 57.16 57.36 1ibl n GLU 50 Cb 0.69 -0.62 0.43 0.00 -0.57 0.00 0.00 31.44 31.37 1ibl n GLU 50 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1ibl h GLU 51 N 0.00 0.00 -0.13 3.49 4.11 -1.97 -2.77 114.58 117.32 1ibl h GLU 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ibl h GLU 51 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ibl h GLU 51 CO 0.00 0.00 0.08 0.00 0.07 0.00 0.00 179.01 179.16 1ibl h ALA 52 N 2.30 0.16 0.09 1.06 0.00 -0.54 0.37 119.26 122.70 1ibl h ALA 52 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ibl h ALA 52 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ibl h ALA 52 CO 0.00 -0.35 -0.04 -0.07 0.00 0.00 0.00 179.25 178.78 1ibl h LEU 53 N 0.17 -0.10 -0.94 0.00 3.38 -0.93 -2.01 115.31 114.88 1ibl h LEU 53 Ca 0.05 -0.32 0.38 0.00 0.09 0.00 0.00 57.88 58.08 1ibl h LEU 53 Cb -0.02 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.59 1ibl h LEU 53 CO -0.01 0.28 0.46 0.29 0.09 0.00 0.00 178.44 179.55 1ibl n LYS 54 N -4.97 -0.06 0.05 1.13 5.02 -0.92 -0.06 118.16 118.36 1ibl n LYS 54 Ca -0.08 1.31 -0.18 0.00 -2.02 0.00 0.00 58.31 57.34 1ibl n LYS 54 Cb 0.22 -2.33 -0.14 0.00 -0.02 0.00 0.00 35.03 32.75 1ibl n LYS 54 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ibl h ILE 55 N 0.00 1.03 -0.71 -0.18 2.04 -0.85 -3.23 117.51 115.60 1ibl h ILE 55 Ca 0.78 -2.68 0.11 0.00 1.00 0.00 0.00 64.86 64.07 1ibl h ILE 55 Cb 2.04 2.71 -0.08 0.00 -0.74 0.00 0.00 36.82 40.74 1ibl h ILE 55 CO -0.74 0.81 0.33 -0.03 0.00 0.00 0.00 178.15 178.52 1ibl h MET 56 N 0.07 0.53 -0.92 2.37 4.05 0.30 0.17 114.93 121.50 1ibl h MET 56 Ca -0.29 -0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.25 1ibl h MET 56 Cb 2.04 -0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 32.62 1ibl h MET 56 CO 0.15 0.35 0.53 0.00 0.23 0.00 0.00 176.91 178.17 1ibl h ARG 57 N 0.54 0.74 0.46 0.39 3.08 -1.00 0.38 114.38 118.97 1ibl h ARG 57 Ca 0.36 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 1ibl h ARG 57 Cb 0.44 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ibl h ARG 57 CO -0.31 0.49 -0.22 0.87 -1.07 0.00 0.00 179.97 179.73 1ibl h LYS 58 N 0.76 -0.60 -0.77 0.04 1.57 -0.76 -2.93 116.57 113.89 1ibl h LYS 58 Ca 0.49 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.49 1ibl h LYS 58 Cb 0.64 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 32.96 1ibl h LYS 58 CO -0.33 -0.29 0.03 0.00 -0.57 0.00 0.00 179.45 178.29 1ibl h ALA 59 N -0.68 0.84 -0.13 3.86 0.00 -0.35 0.13 119.26 122.93 1ibl h ALA 59 Ca -0.06 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ibl h ALA 59 Cb 0.58 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1ibl h ALA 59 CO 0.10 -0.42 -0.24 1.49 0.00 0.00 0.00 179.25 180.18 1ibl h GLU 60 N 0.12 -0.20 -0.37 0.00 4.81 -0.22 0.33 114.58 119.06 1ibl h GLU 60 Ca 0.43 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.74 1ibl h GLU 60 Cb 0.76 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 1ibl h GLU 60 CO -0.66 -0.13 -0.35 1.03 -0.73 0.00 0.00 179.01 178.17 1ibl h SER 61 N -0.21 -1.16 -0.99 1.04 0.87 -1.01 0.73 113.55 112.83 1ibl h SER 61 Ca 0.02 0.19 0.20 0.00 -1.23 0.00 0.00 61.79 60.97 1ibl h SER 61 Cb 0.27 0.53 -0.10 0.00 -0.44 0.00 0.00 62.40 62.66 1ibl h SER 61 CO -0.23 -0.34 0.61 -0.07 -0.53 0.00 0.00 176.83 176.28 1ibl h LEU 62 N -0.29 0.71 0.30 2.23 3.38 -0.18 0.31 115.31 121.76 1ibl h LEU 62 Ca 0.15 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1ibl h LEU 62 Cb 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ibl h LEU 62 CO -0.53 0.25 -0.15 0.40 0.09 0.00 0.00 178.44 178.51 1ibl h ILE 63 N 0.69 0.00 -1.17 1.22 2.04 0.18 -2.03 117.51 118.44 1ibl h ILE 63 Ca 0.56 -0.20 0.34 0.00 1.00 0.00 0.00 64.86 66.57 1ibl h ILE 63 Cb 0.97 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.95 1ibl h ILE 63 CO -0.34 0.00 0.75 0.44 0.00 0.00 0.00 178.15 179.01 1ibl h ASP 64 N -0.60 0.34 -0.51 1.72 3.32 -0.64 0.40 116.42 120.44 1ibl h ASP 64 Ca -0.04 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1ibl h ASP 64 Cb 0.31 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1ibl h ASP 64 CO 0.07 -0.04 0.01 0.11 -1.72 0.00 0.00 179.24 177.67 1ibl h LYS 65 N 0.24 0.90 -0.02 3.56 1.57 -0.34 -2.28 116.57 120.21 1ibl h LYS 65 Ca 0.69 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 59.14 1ibl h LYS 65 Cb 2.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.22 1ibl h LYS 65 CO -0.34 0.92 -0.21 0.00 -0.57 0.00 0.00 179.45 179.26 1ibl h ALA 66 N 0.94 1.63 0.00 3.86 0.00 0.54 -0.47 119.26 125.77 1ibl h ALA 66 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ibl h ALA 66 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ibl h ALA 66 CO 0.02 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1ibl n ALA 67 N -2.50 1.83 0.03 0.00 0.00 -0.76 -2.72 120.51 116.38 1ibl n ALA 67 Ca -0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1ibl n ALA 67 Cb 0.27 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 1ibl n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ibl h LYS 68 N 0.00 -0.03 0.00 0.00 1.63 -0.86 -3.30 116.57 114.01 1ibl h LYS 68 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ibl h LYS 68 Cb 0.39 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1ibl h LYS 68 CO 0.00 0.19 0.00 0.41 -3.45 0.00 0.00 179.45 176.60 1ibl n GLY 69 N -0.51 0.49 2.52 5.01 0.00 -1.10 -4.95 105.19 106.65 1ibl n GLY 69 Ca -0.08 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 1ibl n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ibl n SER 70 N -1.48 6.97 -0.10 1.61 3.41 -1.26 -3.99 113.62 118.78 1ibl n SER 70 Ca 0.00 -3.46 -0.13 0.00 -0.26 0.00 0.00 58.87 55.02 1ibl n SER 70 Cb 0.00 -1.12 -0.15 0.00 -0.26 0.00 0.00 64.21 62.68 1ibl n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ibl n THR 71 N 0.12 1.45 0.00 6.66 -1.04 -1.20 -4.85 114.28 115.42 1ibl n THR 71 Ca 0.50 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1ibl n THR 71 Cb 0.47 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1ibl n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ibl n LEU 72 N -2.95 0.04 0.00 -4.42 4.77 -1.22 -4.98 117.00 108.25 1ibl n LEU 72 Ca -0.35 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1ibl n LEU 72 Cb 1.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1ibl n LEU 72 CO 0.38 -0.38 0.00 1.41 -1.33 0.00 0.00 177.39 177.47 1ibl n HIS 73 N -2.45 0.00 0.00 -1.77 8.25 -1.24 -4.46 115.22 113.55 1ibl n HIS 73 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ibl n HIS 73 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1ibl n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ibl n LYS 74 N 0.00 0.00 -0.08 -0.41 4.76 -1.26 -2.97 118.16 118.20 1ibl n LYS 74 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1ibl n LYS 74 Cb 0.00 0.00 0.33 0.00 -1.84 0.00 0.00 35.03 33.52 1ibl n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ibl n ASN 75 N -3.97 2.20 -0.08 4.39 3.02 -1.26 -3.94 115.26 115.62 1ibl n ASN 75 Ca 0.00 -1.77 -0.12 0.00 -0.03 0.00 0.00 54.58 52.66 1ibl n ASN 75 Cb 0.00 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 1ibl n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibl h ALA 76 N 4.31 0.32 -0.31 5.41 0.00 -1.76 0.12 119.26 127.35 1ibl h ALA 76 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ibl h ALA 76 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ibl h ALA 76 CO 0.00 0.18 0.11 0.00 0.00 0.00 0.00 179.25 179.54 1ibl h ALA 77 N 0.71 0.36 -0.58 0.00 0.00 -1.65 -2.34 119.26 115.76 1ibl h ALA 77 Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ibl h ALA 77 Cb 0.62 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1ibl h ALA 77 CO 0.04 -0.29 0.30 0.00 0.00 0.00 0.00 179.25 179.30 1ibl h ALA 78 N 1.20 0.75 -0.00 0.00 0.00 -1.69 -1.80 119.26 117.71 1ibl h ALA 78 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ibl h ALA 78 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1ibl h ALA 78 CO -0.14 -0.03 -0.41 0.00 0.00 0.00 0.00 179.25 178.66 1ibl h ARG 79 N 0.58 -0.50 -0.40 0.00 3.08 -0.25 0.15 114.38 117.05 1ibl h ARG 79 Ca 0.26 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.38 1ibl h ARG 79 Cb 0.16 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1ibl h ARG 79 CO -0.17 -0.33 -0.36 0.00 -1.07 0.00 0.00 179.97 178.04 1ibl h ARG 80 N -0.52 -0.15 -0.52 0.04 3.08 -1.13 0.77 114.38 115.95 1ibl h ARG 80 Ca 0.01 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.17 1ibl h ARG 80 Cb 0.56 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 1ibl h ARG 80 CO -0.28 -0.10 -0.27 0.87 -1.07 0.00 0.00 179.97 179.12 1ibl h LYS 81 N -0.16 -0.13 0.02 0.04 1.57 -1.18 0.23 116.57 116.96 1ibl h LYS 81 Ca 0.07 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1ibl h LYS 81 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ibl h LYS 81 CO -0.46 -0.09 -0.08 1.03 -0.57 0.00 0.00 179.45 179.28 1ibl h SER 82 N -0.14 -0.25 -1.22 0.86 0.87 0.13 0.20 113.55 114.01 1ibl h SER 82 Ca 0.23 0.03 0.35 0.00 -1.23 0.00 0.00 61.79 61.17 1ibl h SER 82 Cb 0.51 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1ibl h SER 82 CO -0.61 -0.09 0.90 0.03 -0.53 0.00 0.00 176.83 176.54 1ibl h ARG 83 N -0.12 0.00 0.13 2.24 3.08 0.11 0.08 114.38 119.89 1ibl h ARG 83 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ibl h ARG 83 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ibl h ARG 83 CO -0.04 0.00 -0.06 1.25 -1.07 0.00 0.00 179.97 180.05 1ibl h LEU 84 N 0.00 -0.15 -1.92 3.04 6.46 0.60 -2.28 115.31 121.07 1ibl h LEU 84 Ca 0.58 0.01 0.10 0.00 -0.12 0.00 0.00 57.88 58.44 1ibl h LEU 84 Cb 2.38 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 42.33 1ibl h LEU 84 CO -0.01 0.28 0.46 0.24 -0.62 0.00 0.00 178.44 178.79 1ibl h MET 85 N -0.93 0.00 0.00 1.25 2.86 -0.18 -0.11 114.93 117.81 1ibl h MET 85 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ibl h MET 85 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ibl h MET 85 CO 0.03 0.00 0.00 -2.13 1.06 0.00 0.00 176.91 175.87 1ibl n ARG 86 N -3.51 0.00 -0.34 1.72 3.00 -0.03 -2.54 116.66 114.97 1ibl n ARG 86 Ca 0.06 0.00 0.31 0.00 -0.00 0.00 0.00 57.85 58.21 1ibl n ARG 86 Cb 0.61 -0.44 0.53 0.00 0.00 0.00 0.00 32.46 33.16 1ibl n ARG 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ibl n LYS 87 N -0.07 -0.04 0.13 -0.14 5.02 -0.86 -0.98 118.16 121.22 1ibl n LYS 87 Ca 0.00 1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 57.25 1ibl n LYS 87 Cb 0.00 -2.07 -0.08 0.00 -0.02 0.00 0.00 35.03 32.86 1ibl n LYS 87 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ibl h VAL 88 N 0.00 0.77 -0.30 -0.18 2.07 -1.12 0.25 116.25 117.74 1ibl h VAL 88 Ca 0.72 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1ibl h VAL 88 Cb 2.15 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1ibl h VAL 88 CO -0.50 0.13 0.14 -0.09 0.02 0.00 0.00 177.57 177.27 1ibl h ARG 89 N -0.71 0.29 0.39 1.57 2.43 -0.76 0.33 114.38 117.92 1ibl h ARG 89 Ca -0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1ibl h ARG 89 Cb 0.48 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1ibl h ARG 89 CO 0.06 0.19 -0.50 1.96 -1.51 0.00 0.00 179.97 180.17 1ibl h GLN 90 N 0.30 -0.89 -0.41 0.20 4.20 -1.37 -1.17 115.11 115.97 1ibl h GLN 90 Ca 0.12 0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1ibl h GLN 90 Cb 0.05 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1ibl h GLN 90 CO -0.09 -0.59 0.28 -0.07 -0.67 0.00 0.00 178.83 177.69 1ibl h LEU 91 N -0.92 0.16 0.00 1.46 3.38 -0.22 1.12 115.31 120.29 1ibl h LEU 91 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ibl h LEU 91 Cb 0.83 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ibl h LEU 91 CO -0.12 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.69 1ibl n LEU 92 N -4.46 0.00 -3.58 1.67 4.77 0.11 -3.46 117.00 112.06 1ibl n LEU 92 Ca 0.06 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 1ibl n LEU 92 Cb 0.35 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1ibl n LEU 92 CO 0.35 -0.24 2.76 -0.62 -1.33 0.00 0.00 177.39 178.31 1ibl n GLU 93 N -1.42 3.53 -1.86 3.23 -0.58 0.39 -1.44 120.64 122.49 1ibl n GLU 93 Ca 0.04 -2.76 -0.01 0.00 -0.42 0.00 0.00 57.16 54.01 1ibl n GLU 93 Cb 0.13 -2.96 0.02 0.00 -0.57 0.00 0.00 31.44 28.06 1ibl n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ibl n ALA 94 N 4.21 2.89 -2.45 0.62 0.00 -1.23 -4.93 120.51 119.63 1ibl n ALA 94 Ca 0.60 -1.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.29 1ibl n ALA 94 Cb 0.31 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ibl n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibl n ALA 95 N -0.24 -0.07 -0.05 0.00 0.00 -1.24 -4.96 120.51 113.96 1ibl n ALA 95 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ibl n ALA 95 Cb 0.90 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1ibl n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibl n GLY 96 N -0.66 -0.47 1.63 0.00 0.00 -0.52 -5.07 105.19 100.10 1ibl n GLY 96 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ibl n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl n ALA 97 N -2.03 -3.06 -0.26 4.61 0.00 -1.26 -4.58 120.51 113.94 1ibl n ALA 97 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ibl n ALA 97 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1ibl n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ibl n PRO 98 N 0.09 0.00 0.33 0.00 -0.02 -1.26 -4.60 135.00 129.53 1ibl n PRO 98 Ca -0.00 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.64 1ibl n PRO 98 Cb 0.01 -0.26 0.87 0.00 -0.02 0.00 0.00 33.50 34.09 1ibl n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ibl h LEU 99 N 2.05 0.00 -0.27 2.45 3.38 -1.87 -1.81 115.31 119.24 1ibl h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ibl h LEU 99 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ibl h LEU 99 CO 0.19 0.00 0.00 -0.38 0.09 0.00 0.00 178.44 178.34 1ibl n ILE 100 N -2.96 0.00 -1.36 1.22 5.41 -1.26 -4.90 119.36 115.51 1ibl n ILE 100 Ca -0.02 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1ibl n ILE 100 Cb 0.35 1.39 0.00 0.00 -0.71 0.00 0.00 39.64 40.67 1ibl n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ibl n GLY 101 N 0.14 -0.20 0.00 7.39 0.00 -0.68 -4.78 105.19 107.05 1ibl n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ibl n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibl n GLY 102 N -0.20 -1.17 0.13 -0.02 0.00 -1.26 -4.38 105.19 98.29 1ibl n GLY 102 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ibl n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibl h GLY 103 N 0.00 0.35 -3.10 -0.02 0.00 -1.86 -3.45 103.07 94.98 1ibl h GLY 103 Ca 0.00 -0.29 -0.51 0.00 0.00 0.00 0.00 47.33 46.53 1ibl h GLY 103 CO 0.00 0.26 0.52 1.08 0.00 0.00 0.00 176.54 178.40 1ibl s LEU 104 N -9.36 4.16 -0.31 3.11 1.43 -1.26 -5.01 118.68 111.45 1ibl s LEU 104 Ca -0.14 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 1ibl s LEU 104 Cb 0.06 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1ibl s LEU 104 CO 0.73 -0.75 0.19 -0.94 0.23 0.00 0.00 176.35 175.82 1ibl s SER 105 N -1.11 5.88 0.00 2.29 1.04 -1.26 -4.86 113.70 115.68 1ibl s SER 105 Ca 0.58 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1ibl s SER 105 Cb -0.32 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1ibl s SER 105 CO 0.40 -0.15 0.40 0.00 0.98 0.00 0.00 173.24 174.86