#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s ASN 9 N 0.00 5.91 -0.27 0.55 4.22 -1.26 -5.04 114.94 119.05 3fic s ASN 9 Ca 0.00 2.18 -0.00 0.00 -2.14 0.00 0.00 52.86 52.90 3fic s ASN 9 Cb 0.00 -2.58 0.08 0.00 1.28 0.00 0.00 41.25 40.03 3fic s ASN 9 CO 0.00 -1.09 0.04 -0.22 -2.04 0.00 0.00 177.10 173.79 3fic s LEU 10 N -3.56 2.34 -0.35 3.54 2.96 -1.26 -5.06 118.68 117.30 3fic s LEU 10 Ca 0.70 -1.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 3fic s LEU 10 Cb -0.24 -0.97 -0.12 0.00 0.50 0.00 0.00 46.19 45.36 3fic s LEU 10 CO 0.28 -0.34 1.25 -1.20 -1.32 0.00 0.00 176.35 175.02 3fic n SER 11 N 4.79 -1.52 0.00 3.68 7.64 -1.26 -4.20 113.62 122.74 3fic n SER 11 Ca -0.06 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3fic n SER 11 Cb 0.44 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3fic n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fic n ALA 12 N 4.17 0.00 -0.26 -0.43 0.00 -1.26 -4.78 120.51 117.95 3fic n ALA 12 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.77 3fic n ALA 12 Cb 0.30 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.10 3fic n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fic h LEU 13 N 0.00 0.69 -1.02 0.00 4.07 -2.01 0.61 115.31 117.64 3fic h LEU 13 Ca 0.00 0.03 0.33 0.00 0.08 0.00 0.00 57.88 58.32 3fic h LEU 13 Cb 0.18 -0.11 -0.15 0.00 1.08 0.00 0.00 40.66 41.66 3fic h LEU 13 CO 0.00 0.38 0.58 0.50 -1.08 0.00 0.00 178.44 178.83 3fic h LYS 14 N 0.75 0.30 -0.36 1.13 3.64 -1.94 1.73 116.57 121.82 3fic h LYS 14 Ca 0.41 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.82 3fic h LYS 14 Cb 0.56 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3fic h LYS 14 CO -0.18 0.20 0.12 0.00 -2.27 0.00 0.00 179.45 177.32 3fic h ARG 15 N 0.31 0.26 0.97 1.90 2.47 -1.25 1.67 114.38 120.71 3fic h ARG 15 Ca 0.74 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 59.40 3fic h ARG 15 Cb 1.72 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.99 3fic h ARG 15 CO -0.60 0.17 -0.46 1.25 0.56 0.00 0.00 179.97 180.89 3fic h HIS 16 N 0.27 -1.20 -0.92 3.04 2.76 0.23 1.81 115.15 121.12 3fic h HIS 16 Ca 0.16 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.39 3fic h HIS 16 Cb 0.14 0.40 -0.11 0.00 1.55 0.00 0.00 27.41 29.39 3fic h HIS 16 CO -0.15 -0.75 -0.54 0.54 -1.30 0.00 0.00 177.93 175.73 3fic n ARG 17 N -5.54 -0.41 -0.14 5.26 1.74 0.15 0.91 116.66 118.64 3fic n ARG 17 Ca -0.16 1.45 -0.04 0.00 -0.77 0.00 0.00 57.85 58.33 3fic n ARG 17 Cb 0.51 -2.14 0.05 0.00 -1.02 0.00 0.00 32.46 29.86 3fic n ARG 17 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3fic h GLN 18 N 0.00 0.25 -0.25 5.56 4.20 0.27 -2.57 115.11 122.57 3fic h GLN 18 Ca 0.15 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.87 3fic h GLN 18 Cb 0.38 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3fic h GLN 18 CO -0.87 0.17 -0.23 1.03 -0.67 0.00 0.00 178.83 178.27 3fic h SER 19 N 0.26 -0.78 0.00 1.46 0.87 0.95 0.18 113.55 116.49 3fic h SER 19 Ca 0.22 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3fic h SER 19 Cb 0.25 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3fic h SER 19 CO -0.26 -0.13 0.00 0.18 -0.53 0.00 0.00 176.83 176.09 3fic n LEU 20 N -3.81 0.00 -0.23 2.23 4.77 0.59 -0.76 117.00 119.80 3fic n LEU 20 Ca -0.01 0.94 -0.06 0.00 -0.03 0.00 0.00 56.01 56.85 3fic n LEU 20 Cb 0.12 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 3fic n LEU 20 CO -0.02 -0.44 0.43 0.29 -1.33 0.00 0.00 177.39 176.32 3fic n LYS 21 N -2.74 -0.24 -0.33 3.23 5.02 -0.86 0.54 118.16 122.77 3fic n LYS 21 Ca 0.00 1.16 0.20 0.00 -2.02 0.00 0.00 58.31 57.65 3fic n LYS 21 Cb 0.00 -1.72 0.41 0.00 -0.02 0.00 0.00 35.03 33.70 3fic n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fic h ARG 22 N 0.00 0.39 0.00 1.97 3.08 0.24 0.27 114.38 120.33 3fic h ARG 22 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3fic h ARG 22 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3fic h ARG 22 CO -0.51 0.26 0.00 -2.13 -1.07 0.00 0.00 179.97 176.52 3fic n ARG 23 N -5.02 0.00 -0.28 0.04 0.63 0.19 -2.22 116.66 110.00 3fic n ARG 23 Ca 0.28 0.50 0.24 0.00 -0.92 0.00 0.00 57.85 57.95 3fic n ARG 23 Cb 0.84 -1.41 0.45 0.00 0.45 0.00 0.00 32.46 32.80 3fic n ARG 23 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3fic n LEU 24 N -1.99 0.21 0.00 6.15 -0.00 -0.08 -0.97 117.00 120.32 3fic n LEU 24 Ca 0.00 1.43 0.00 0.00 -0.00 0.00 0.00 56.01 57.44 3fic n LEU 24 Cb 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 43.42 42.76 3fic n LEU 24 CO 0.00 -1.57 0.49 -1.14 -0.00 0.00 0.00 177.39 175.17 3fic n ARG 25 N -5.01 0.00 0.18 1.96 0.63 0.87 -2.96 116.66 112.33 3fic n ARG 25 Ca 0.30 0.65 0.03 0.00 -0.92 0.00 0.00 57.85 57.91 3fic n ARG 25 Cb 1.01 -1.48 0.31 0.00 0.45 0.00 0.00 32.46 32.75 3fic n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 3fic h ASN 26 N 0.00 0.00 -0.77 6.15 -0.00 -0.71 -2.91 115.58 117.34 3fic h ASN 26 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.30 56.47 3fic h ASN 26 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 38.18 3fic h ASN 26 CO 0.00 0.44 -0.09 0.50 -0.00 0.00 0.00 177.43 178.27 3fic h LYS 27 N 0.00 0.04 0.00 4.14 3.11 -1.04 0.69 116.57 123.51 3fic h LYS 27 Ca -0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3fic h LYS 27 Cb 0.87 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 3fic h LYS 27 CO 0.06 0.03 0.00 0.00 -2.81 0.00 0.00 179.45 176.72 3fic n ALA 28 N -3.12 0.00 -0.18 5.00 0.00 -1.10 -1.90 120.51 119.21 3fic n ALA 28 Ca 0.13 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.72 3fic n ALA 28 Cb 0.45 0.02 0.29 0.00 0.00 0.00 0.00 19.45 20.20 3fic n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3fic n LYS 29 N -0.12 -0.04 0.03 0.00 2.85 -1.10 0.14 118.16 119.92 3fic n LYS 29 Ca 0.00 0.80 -0.11 0.00 -1.05 0.00 0.00 58.31 57.95 3fic n LYS 29 Cb 0.00 -1.38 -0.05 0.00 -0.65 0.00 0.00 35.03 32.94 3fic n LYS 29 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3fic h LYS 30 N 0.00 -0.06 -0.67 -1.58 1.63 -0.74 -1.68 116.57 113.47 3fic h LYS 30 Ca 0.44 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.27 3fic h LYS 30 Cb 1.12 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 3fic h LYS 30 CO -0.46 -0.04 0.43 0.66 -3.45 0.00 0.00 179.45 176.59 3fic h SER 31 N -0.06 0.72 -0.58 4.20 4.64 0.19 -1.65 113.55 121.01 3fic h SER 31 Ca 0.04 -0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.47 3fic h SER 31 Cb 0.11 -0.16 -0.10 0.00 -0.31 0.00 0.00 62.40 61.94 3fic h SER 31 CO -0.08 0.51 -0.03 0.00 -0.87 0.00 0.00 176.83 176.35 3fic h ALA 32 N 1.27 0.53 -0.50 5.18 0.00 -1.07 0.29 119.26 124.96 3fic h ALA 32 Ca 0.26 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.46 3fic h ALA 32 Cb -0.03 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 3fic h ALA 32 CO -0.08 -0.40 -0.25 0.82 0.00 0.00 0.00 179.25 179.33 3fic h ILE 33 N 0.09 0.30 0.00 0.00 1.08 -0.40 0.75 117.51 119.33 3fic h ILE 33 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.77 3fic h ILE 33 Cb 0.47 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3fic h ILE 33 CO -0.52 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.23 3fic n LYS 34 N -5.42 0.00 -0.30 2.37 5.02 0.78 0.11 118.16 120.72 3fic n LYS 34 Ca 0.04 0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.52 3fic n LYS 34 Cb 0.33 -1.05 0.21 0.00 -0.02 0.00 0.00 35.03 34.50 3fic n LYS 34 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3fic n THR 35 N -0.70 -0.36 -0.30 -0.18 -2.24 0.13 0.29 114.28 110.92 3fic n THR 35 Ca 0.00 1.90 -0.05 0.00 -2.27 0.00 0.00 64.05 63.63 3fic n THR 35 Cb 0.00 -2.73 0.07 0.00 -2.10 0.00 0.00 70.33 65.57 3fic n THR 35 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3fic h LEU 36 N 0.00 1.01 0.69 3.22 7.12 0.64 -0.59 115.31 127.40 3fic h LEU 36 Ca 0.49 -0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.36 3fic h LEU 36 Cb 0.94 -0.26 0.01 0.00 -0.53 0.00 0.00 40.66 40.82 3fic h LEU 36 CO -0.82 0.82 -0.33 0.28 -0.13 0.00 0.00 178.44 178.26 3fic h SER 37 N 1.12 -0.78 -0.58 1.25 0.02 1.17 -2.63 113.55 113.12 3fic h SER 37 Ca 0.28 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.34 3fic h SER 37 Cb 0.03 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 62.66 3fic h SER 37 CO -0.05 -0.42 -0.34 0.11 -1.14 0.00 0.00 176.83 174.99 3fic h LYS 38 N -1.17 -0.17 -0.94 3.45 1.57 -0.65 0.63 116.57 119.29 3fic h LYS 38 Ca -0.09 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.89 3fic h LYS 38 Cb 0.73 0.04 -0.18 0.00 0.08 0.00 0.00 32.23 32.90 3fic h LYS 38 CO 0.15 -0.11 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.48 3fic h LYS 39 N -0.17 0.00 0.07 3.15 3.64 -1.07 0.26 116.57 122.45 3fic h LYS 39 Ca 0.22 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3fic h LYS 39 Cb 0.55 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3fic h LYS 39 CO -0.67 0.00 -0.05 0.00 -2.27 0.00 0.00 179.45 176.46 3fic h ALA 40 N 1.94 -0.89 -1.04 5.00 0.00 0.62 -2.77 119.26 122.12 3fic h ALA 40 Ca 0.46 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.63 3fic h ALA 40 Cb 0.70 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 3fic h ALA 40 CO -0.97 -0.89 0.64 -0.84 0.00 0.00 0.00 179.25 177.19 3fic h ILE 41 N -0.11 0.45 -0.16 0.00 3.07 -0.49 0.44 117.51 120.71 3fic h ILE 41 Ca -0.01 -0.15 0.05 0.00 1.55 0.00 0.00 64.86 66.30 3fic h ILE 41 Cb 0.09 -0.01 -0.01 0.00 -0.27 0.00 0.00 36.82 36.62 3fic h ILE 41 CO 0.01 0.08 0.21 -0.61 -1.05 0.00 0.00 178.15 176.78 3fic h GLN 42 N 0.43 0.00 0.00 0.16 5.75 -0.23 0.40 115.11 121.61 3fic h GLN 42 Ca 0.66 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 59.11 3fic h GLN 42 Cb 1.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.06 3fic h GLN 42 CO -0.43 0.00 -1.26 1.28 -2.65 0.00 0.00 178.83 175.77 3fic n LEU 43 N -3.64 0.73 0.07 -2.39 4.77 0.15 -1.82 117.00 114.88 3fic n LEU 43 Ca 0.01 0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 3fic n LEU 43 Cb 0.32 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 3fic n LEU 43 CO 0.25 -0.07 -0.11 0.00 -1.33 0.00 0.00 177.39 176.14 3fic h ALA 44 N 1.83 -0.08 -0.68 -1.18 0.00 -0.58 1.30 119.26 119.88 3fic h ALA 44 Ca -0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 3fic h ALA 44 Cb 1.17 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3fic h ALA 44 CO 0.01 0.54 0.21 0.37 0.00 0.00 0.00 179.25 180.38 3fic h GLN 45 N -0.20 1.04 0.00 0.00 -0.00 -0.46 0.39 115.11 115.87 3fic h GLN 45 Ca -0.20 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 3fic h GLN 45 Cb 1.83 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 29.15 3fic h GLN 45 CO 0.18 0.89 0.00 -1.91 0.00 0.00 0.00 178.83 177.99 3fic n GLU 46 N -4.26 0.92 -3.57 1.69 2.13 -0.75 -4.90 120.64 111.90 3fic n GLU 46 Ca 0.05 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.61 3fic n GLU 46 Cb 0.22 -1.20 0.04 0.00 0.27 0.00 0.00 31.44 30.77 3fic n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fic n GLY 47 N 0.60 -1.06 0.00 8.31 0.00 0.14 -4.99 105.19 108.19 3fic n GLY 47 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3fic n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fic n LYS 48 N -3.77 0.52 0.00 1.61 4.76 0.44 -4.94 118.16 116.78 3fic n LYS 48 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3fic n LYS 48 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 3fic n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fic n ALA 49 N -3.00 0.00 0.39 7.82 0.00 -1.26 -4.79 120.51 119.67 3fic n ALA 49 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3fic n ALA 49 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3fic n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3fic h GLU 50 N 0.00 -0.96 -0.99 0.00 4.11 -1.95 -2.63 114.58 112.16 3fic h GLU 50 Ca 0.00 0.07 0.34 0.00 0.07 0.00 0.00 59.36 59.83 3fic h GLU 50 Cb 0.00 0.22 -0.18 0.00 0.50 0.00 0.00 28.75 29.29 3fic h GLU 50 CO 0.00 -0.64 0.25 -0.85 0.07 0.00 0.00 179.01 177.84 3fic n GLU 51 N -4.76 -0.07 0.33 1.06 0.28 -1.26 0.95 120.64 117.17 3fic n GLU 51 Ca -0.12 1.42 -0.18 0.00 -0.16 0.00 0.00 57.16 58.12 3fic n GLU 51 Cb 0.39 -2.39 -0.09 0.00 1.43 0.00 0.00 31.44 30.78 3fic n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fic h ALA 52 N 1.97 -0.99 0.13 -1.84 0.00 -1.86 0.10 119.26 116.78 3fic h ALA 52 Ca 0.71 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.44 3fic h ALA 52 Cb 1.68 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 3fic h ALA 52 CO -0.85 -1.08 -0.20 -0.07 0.00 0.00 0.00 179.25 177.05 3fic h LEU 53 N -0.95 -0.54 -0.83 0.00 3.38 0.95 0.98 115.31 118.30 3fic h LEU 53 Ca -0.07 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.16 3fic h LEU 53 Cb 0.79 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.59 3fic h LEU 53 CO 0.03 -0.28 -0.02 0.50 0.09 0.00 0.00 178.44 178.75 3fic h LYS 54 N -0.39 0.07 0.44 1.13 3.64 0.54 3.11 116.57 125.11 3fic h LYS 54 Ca 0.02 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3fic h LYS 54 Cb 0.40 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3fic h LYS 54 CO -0.09 0.04 -0.21 0.82 -2.27 0.00 0.00 179.45 177.74 3fic h ILE 55 N 0.07 0.00 -1.36 2.00 1.08 0.47 0.89 117.51 120.66 3fic h ILE 55 Ca 0.46 -0.12 0.43 0.00 -0.39 0.00 0.00 64.86 65.24 3fic h ILE 55 Cb 0.83 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.46 3fic h ILE 55 CO -0.76 0.00 0.89 -0.03 -0.69 0.00 0.00 178.15 177.56 3fic h MET 56 N -0.71 0.09 0.49 2.37 4.05 0.28 1.26 114.93 122.77 3fic h MET 56 Ca -0.06 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 3fic h MET 56 Cb 0.45 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3fic h MET 56 CO 0.10 0.06 -0.24 -0.09 0.23 0.00 0.00 176.91 176.97 3fic h ARG 57 N 0.09 -0.64 -0.96 0.39 9.65 0.58 -2.51 114.38 120.98 3fic h ARG 57 Ca 0.81 0.04 0.23 0.00 -1.10 0.00 0.00 59.98 59.97 3fic h ARG 57 Cb 2.61 0.14 -0.12 0.00 -1.39 0.00 0.00 29.97 31.21 3fic h ARG 57 CO -0.36 -0.43 0.52 -0.22 2.80 0.00 0.00 179.97 182.28 3fic h LYS 58 N -1.05 0.51 -0.19 0.20 1.63 0.24 -1.63 116.57 116.29 3fic h LYS 58 Ca -0.07 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3fic h LYS 58 Cb 0.51 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 3fic h LYS 58 CO 0.11 0.34 -0.22 0.00 -3.45 0.00 0.00 179.45 176.23 3fic h ALA 59 N 1.71 -0.44 -1.04 5.00 0.00 0.15 -1.84 119.26 122.80 3fic h ALA 59 Ca 0.61 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3fic h ALA 59 Cb 1.14 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3fic h ALA 59 CO -0.49 -0.55 0.00 -1.91 0.00 0.00 0.00 179.25 176.30 3fic n GLU 60 N -3.74 0.00 -0.34 0.00 2.13 -0.62 -1.23 120.64 116.83 3fic n GLU 60 Ca -0.01 0.57 -0.04 0.00 0.66 0.00 0.00 57.16 58.33 3fic n GLU 60 Cb 0.13 -0.93 -0.02 0.00 0.27 0.00 0.00 31.44 30.89 3fic n GLU 60 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3fic n SER 61 N -1.86 -0.71 -0.18 4.31 2.88 -1.07 0.12 113.62 117.12 3fic n SER 61 Ca 0.00 1.51 0.20 0.00 -1.33 0.00 0.00 58.87 59.25 3fic n SER 61 Cb 0.00 -0.28 0.58 0.00 -0.75 0.00 0.00 64.21 63.76 3fic n SER 61 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3fic h LEU 62 N 0.00 0.27 0.07 2.46 6.46 -0.31 -1.39 115.31 122.87 3fic h LEU 62 Ca 0.23 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 3fic h LEU 62 Cb 0.44 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3fic h LEU 62 CO -0.83 0.12 -0.04 0.40 -0.62 0.00 0.00 178.44 177.47 3fic h ILE 63 N 0.27 0.00 -0.85 4.05 2.04 0.17 -2.76 117.51 120.43 3fic h ILE 63 Ca 0.41 -0.11 0.25 0.00 1.00 0.00 0.00 64.86 66.41 3fic h ILE 63 Cb 1.19 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3fic h ILE 63 CO -0.11 0.00 0.92 0.44 0.00 0.00 0.00 178.15 179.40 3fic h ASP 64 N -0.21 0.00 -0.28 1.72 5.19 -1.20 1.76 116.42 123.39 3fic h ASP 64 Ca -0.01 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.22 3fic h ASP 64 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 3fic h ASP 64 CO 0.02 0.00 -0.51 0.11 -3.12 0.00 0.00 179.24 175.74 3fic h LYS 65 N 0.00 0.84 0.00 3.56 1.57 -1.26 -2.73 116.57 118.56 3fic h LYS 65 Ca 0.40 -0.53 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3fic h LYS 65 Cb 2.23 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.60 3fic h LYS 65 CO -0.00 1.16 -0.04 0.00 -0.57 0.00 0.00 179.45 180.00 3fic h ALA 66 N 0.67 1.09 0.00 3.86 0.00 0.30 -2.13 119.26 123.05 3fic h ALA 66 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fic h ALA 66 Cb 1.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fic h ALA 66 CO 0.11 0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.37 3fic h ALA 67 N 1.96 1.01 -0.31 0.00 0.00 -1.08 -3.15 119.26 117.69 3fic h ALA 67 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3fic h ALA 67 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fic h ALA 67 CO 0.01 0.05 -0.06 0.87 0.00 0.00 0.00 179.25 180.12 3fic h LYS 68 N 0.00 0.58 0.00 0.00 1.57 -1.44 -3.44 116.57 113.84 3fic h LYS 68 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3fic h LYS 68 Cb 0.58 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3fic h LYS 68 CO 0.01 0.76 0.00 0.41 -0.57 0.00 0.00 179.45 180.05 3fic n GLY 69 N -0.20 -0.26 1.70 3.86 0.00 -1.20 -4.92 105.19 104.16 3fic n GLY 69 Ca -0.03 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 3fic n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fic n SER 70 N -1.74 5.55 0.00 1.61 7.64 -1.26 -4.59 113.62 120.83 3fic n SER 70 Ca 0.00 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.08 3fic n SER 70 Cb 0.00 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 3fic n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3fic n THR 71 N 0.56 0.00 -2.25 0.44 -1.04 -1.26 -5.04 114.28 105.68 3fic n THR 71 Ca 0.20 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.90 3fic n THR 71 Cb 0.62 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.11 3fic n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3fic s LEU 72 N 0.00 3.51 0.00 -4.42 1.43 -1.20 -5.01 118.68 112.99 3fic s LEU 72 Ca 0.00 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 3fic s LEU 72 Cb 0.00 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.75 3fic s LEU 72 CO 0.00 -0.67 0.00 1.41 0.23 0.00 0.00 176.35 177.32 3fic n HIS 73 N -1.94 0.00 0.00 0.29 8.25 -1.26 -3.86 115.22 116.70 3fic n HIS 73 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3fic n HIS 73 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3fic n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fic n LYS 74 N 0.00 0.00 0.08 -0.41 4.76 -1.26 0.30 118.16 121.62 3fic n LYS 74 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3fic n LYS 74 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 3fic n LYS 74 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3fic h ASN 75 N 0.00 0.00 -0.99 4.39 2.35 -1.99 -3.22 115.58 116.11 3fic h ASN 75 Ca 0.00 0.00 0.36 0.00 -0.55 0.00 0.00 56.30 56.11 3fic h ASN 75 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 3fic h ASN 75 CO 0.00 0.78 0.46 0.00 -1.65 0.00 0.00 177.43 177.02 3fic h ALA 76 N 1.22 1.91 -1.44 -0.83 0.00 -1.93 1.99 119.26 120.18 3fic h ALA 76 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fic h ALA 76 Cb 1.63 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3fic h ALA 76 CO 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.59 3fic n ALA 77 N -2.42 -0.13 -0.07 0.00 0.00 0.15 -1.54 120.51 116.50 3fic n ALA 77 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.70 3fic n ALA 77 Cb 1.08 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 20.71 3fic n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fic h ALA 78 N -1.74 -0.03 -0.90 0.00 0.00 0.09 -2.28 119.26 114.39 3fic h ALA 78 Ca 0.00 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.18 3fic h ALA 78 Cb 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.09 3fic h ALA 78 CO 0.00 -0.62 -0.24 -2.13 0.00 0.00 0.00 179.25 176.26 3fic n ARG 79 N -5.37 -0.10 -0.27 0.00 0.63 0.61 0.17 116.66 112.35 3fic n ARG 79 Ca 0.00 1.40 0.03 0.00 -0.92 0.00 0.00 57.85 58.36 3fic n ARG 79 Cb 0.28 -2.09 0.25 0.00 0.45 0.00 0.00 32.46 31.34 3fic n ARG 79 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fic h ARG 80 N 0.00 0.99 0.00 -0.14 2.47 -0.67 -2.78 114.38 114.25 3fic h ARG 80 Ca 0.42 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 3fic h ARG 80 Cb 0.64 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3fic h ARG 80 CO -0.92 0.65 -0.15 0.87 0.56 0.00 0.00 179.97 180.98 3fic h LYS 81 N 1.02 0.00 0.00 0.04 1.57 0.18 -0.64 116.57 118.73 3fic h LYS 81 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3fic h LYS 81 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3fic h LYS 81 CO -0.11 0.28 0.73 0.66 -0.57 0.00 0.00 179.45 180.44 3fic h SER 82 N -1.00 0.00 0.00 0.86 4.64 0.13 0.72 113.55 118.90 3fic h SER 82 Ca -0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 3fic h SER 82 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3fic h SER 82 CO -0.01 0.00 -0.99 0.54 -0.87 0.00 0.00 176.83 175.49 3fic n ARG 83 N -1.94 0.31 0.00 4.77 1.74 -1.05 -4.13 116.66 116.35 3fic n ARG 83 Ca -0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3fic n ARG 83 Cb 0.73 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 3fic n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3fic n LEU 84 N -3.93 0.00 0.14 0.55 -0.00 0.20 0.57 117.00 114.53 3fic n LEU 84 Ca -0.15 0.91 0.12 0.00 -0.00 0.00 0.00 56.01 56.89 3fic n LEU 84 Cb 0.43 -0.42 0.52 0.00 -0.00 0.00 0.00 43.42 43.95 3fic n LEU 84 CO 0.09 -0.42 0.86 1.15 -0.00 0.00 0.00 177.39 179.06 3fic n MET 85 N -2.71 0.20 -0.06 1.96 0.00 -0.91 -1.94 117.12 113.65 3fic n MET 85 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 57.70 58.12 3fic n MET 85 Cb 0.00 -1.90 0.16 0.00 0.00 0.00 0.00 33.22 31.48 3fic n MET 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3fic h ARG 86 N 0.00 0.67 0.04 3.17 2.43 0.03 -3.06 114.38 117.67 3fic h ARG 86 Ca 0.00 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 3fic h ARG 86 Cb 0.31 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3fic h ARG 86 CO 0.00 0.78 -0.31 -0.22 -1.51 0.00 0.00 179.97 178.71 3fic h LYS 87 N 0.61 0.13 -0.68 0.20 1.63 -0.27 -3.21 116.57 114.98 3fic h LYS 87 Ca 0.10 -0.20 0.06 0.00 -0.85 0.00 0.00 60.65 59.76 3fic h LYS 87 Cb 0.58 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 32.20 3fic h LYS 87 CO 0.04 1.06 -0.40 0.28 -3.45 0.00 0.00 179.45 176.97 3fic n VAL 88 N -4.43 -0.46 -0.19 2.00 0.31 -1.04 0.02 118.33 114.53 3fic n VAL 88 Ca -0.11 2.12 -0.01 0.00 -0.01 0.00 0.00 64.34 66.33 3fic n VAL 88 Cb 0.59 -2.67 0.07 0.00 -0.91 0.00 0.00 33.84 30.92 3fic n VAL 88 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3fic h ARG 89 N 0.00 0.04 -0.93 5.55 2.43 -1.68 0.29 114.38 120.08 3fic h ARG 89 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3fic h ARG 89 Cb 0.28 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3fic h ARG 89 CO -0.63 0.03 0.00 1.04 -1.51 0.00 0.00 179.97 178.89 3fic n GLN 90 N -5.36 0.68 0.00 0.20 6.02 0.10 -1.68 117.38 117.35 3fic n GLN 90 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3fic n GLN 90 Cb 0.32 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.31 3fic n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3fic n LEU 91 N 0.36 0.00 -0.11 1.08 4.77 0.89 -4.72 117.00 119.27 3fic n LEU 91 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3fic n LEU 91 Cb 0.24 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3fic n LEU 91 CO 0.00 0.00 0.30 0.18 -1.33 0.00 0.00 177.39 176.54 3fic n LEU 92 N -0.59 0.98 0.00 2.23 4.77 -0.44 -3.64 117.00 120.31 3fic n LEU 92 Ca 0.00 -0.32 0.05 0.00 -0.03 0.00 0.00 56.01 55.71 3fic n LEU 92 Cb 0.06 -0.11 0.30 0.00 -2.33 0.00 0.00 43.42 41.34 3fic n LEU 92 CO 0.00 0.21 0.59 -1.84 -1.33 0.00 0.00 177.39 175.03 3fic n GLU 93 N -1.14 0.75 -1.50 3.23 0.00 -0.68 -2.28 120.64 119.02 3fic n GLU 93 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.90 3fic n GLU 93 Cb 0.35 -1.21 0.03 0.00 0.00 0.00 0.00 31.44 30.62 3fic n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fic n ALA 94 N -0.71 6.25 0.00 -1.84 0.00 -1.24 -4.87 120.51 118.10 3fic n ALA 94 Ca 0.08 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.17 3fic n ALA 94 Cb 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3fic n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fic n ALA 95 N -0.25 0.00 -0.02 0.00 0.00 -1.19 -4.96 120.51 114.09 3fic n ALA 95 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.96 3fic n ALA 95 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3fic n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fic n GLY 96 N 0.00 -0.15 1.26 0.00 0.00 -1.16 -4.93 105.19 100.21 3fic n GLY 96 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3fic n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic n ALA 97 N -3.92 -2.33 -0.04 4.61 0.00 -0.96 -4.43 120.51 113.44 3fic n ALA 97 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3fic n ALA 97 Cb 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3fic n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fic n PRO 98 N 0.13 0.00 0.00 0.00 -0.02 -1.26 -4.52 135.00 129.33 3fic n PRO 98 Ca 0.00 -0.27 0.15 0.00 -2.02 0.00 0.00 63.50 61.36 3fic n PRO 98 Cb 0.00 -1.69 0.60 0.00 -0.02 0.00 0.00 33.50 32.39 3fic n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fic h LEU 99 N 7.99 0.15 -8.44 2.45 3.38 -1.96 -3.37 115.31 115.52 3fic h LEU 99 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3fic h LEU 99 Cb 0.00 -0.03 -0.23 0.00 0.09 0.00 0.00 40.66 40.49 3fic h LEU 99 CO 0.72 0.09 -0.47 -0.63 0.09 0.00 0.00 178.44 178.23 3fic s ILE 100 N -5.18 4.91 -0.71 1.22 1.09 -1.26 -5.01 121.20 116.26 3fic s ILE 100 Ca -0.06 -0.76 -0.28 0.00 -1.10 0.00 0.00 60.65 58.45 3fic s ILE 100 Cb 0.19 -3.73 -0.13 0.00 -1.06 0.00 0.00 42.46 37.72 3fic s ILE 100 CO 0.73 -0.27 2.54 0.61 -0.10 0.00 0.00 174.94 178.45 3fic n GLY 101 N 5.08 -0.10 0.00 6.18 0.00 -1.26 -4.86 105.19 110.22 3fic n GLY 101 Ca -0.11 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3fic n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fic n GLY 102 N 6.23 5.40 0.19 -0.02 0.00 -1.26 -5.02 105.19 110.70 3fic n GLY 102 Ca 0.49 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 3fic n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fic h GLY 103 N 0.00 -0.08 -2.78 -0.02 0.00 -1.89 -3.42 103.07 94.88 3fic h GLY 103 Ca 0.00 0.18 -0.54 0.00 0.00 0.00 0.00 47.33 46.97 3fic h GLY 103 CO 0.00 -0.15 0.58 -2.27 0.00 0.00 0.00 176.54 174.70 3fic s LEU 104 N -10.40 3.90 -0.04 3.11 0.20 -1.26 -5.03 118.68 109.16 3fic s LEU 104 Ca -0.14 2.65 0.07 0.00 0.69 0.00 0.00 54.13 57.39 3fic s LEU 104 Cb 0.10 -4.26 -0.02 0.00 -0.43 0.00 0.00 46.19 41.59 3fic s LEU 104 CO 0.68 -1.39 -0.24 -0.94 -0.29 0.00 0.00 176.35 174.17 3fic s SER 105 N -1.05 3.22 0.00 3.68 1.04 -1.26 -4.95 113.70 114.38 3fic s SER 105 Ca 0.69 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.69 3fic s SER 105 Cb -0.37 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.18 3fic s SER 105 CO 0.44 0.30 0.41 0.00 0.98 0.00 0.00 173.24 175.38