#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d s ASN 9 N 0.00 6.80 -0.18 0.55 6.03 -1.26 -5.07 114.94 121.81 3i9d s ASN 9 Ca 0.00 1.86 0.01 0.00 -1.03 0.00 0.00 52.86 53.69 3i9d s ASN 9 Cb 0.00 -2.56 0.02 0.00 -3.03 0.00 0.00 41.25 35.68 3i9d s ASN 9 CO 0.00 -0.46 -0.19 -0.22 -2.03 0.00 0.00 177.10 174.21 3i9d s LEU 10 N -2.96 2.19 0.00 3.54 2.96 -1.26 -5.00 118.68 118.15 3i9d s LEU 10 Ca 0.61 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3i9d s LEU 10 Cb -0.15 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3i9d s LEU 10 CO 0.20 0.00 0.01 -1.20 -1.32 0.00 0.00 176.35 174.04 3i9d n SER 11 N 4.62 0.01 0.00 3.68 7.64 -1.26 -2.74 113.62 125.56 3i9d n SER 11 Ca -0.21 -0.02 0.12 0.00 1.01 0.00 0.00 58.87 59.77 3i9d n SER 11 Cb 0.50 -0.00 0.56 0.00 -1.01 0.00 0.00 64.21 64.25 3i9d n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i9d n ALA 12 N 0.07 2.15 0.27 -0.43 0.00 -1.26 -2.65 120.51 118.67 3i9d n ALA 12 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.50 3i9d n ALA 12 Cb 0.00 -1.39 0.75 0.00 0.00 0.00 0.00 19.45 18.82 3i9d n ALA 12 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3i9d h LEU 13 N 0.00 0.00 -0.48 0.00 8.10 -1.97 -2.14 115.31 118.82 3i9d h LEU 13 Ca 0.00 0.00 0.10 0.00 0.11 0.00 0.00 57.88 58.09 3i9d h LEU 13 Cb 0.33 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.45 3i9d h LEU 13 CO 0.00 0.08 -0.17 0.50 -4.11 0.00 0.00 178.44 174.74 3i9d h LYS 14 N 0.00 -0.06 -1.34 0.17 3.64 -1.81 0.97 116.57 118.14 3i9d h LYS 14 Ca -0.00 0.00 0.44 0.00 -1.27 0.00 0.00 60.65 59.82 3i9d h LYS 14 Cb 0.40 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.11 3i9d h LYS 14 CO 0.01 -0.04 0.87 0.00 -2.27 0.00 0.00 179.45 178.02 3i9d h ARG 15 N -0.06 0.08 -0.03 1.90 2.47 -1.63 0.54 114.38 117.65 3i9d h ARG 15 Ca 0.23 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 3i9d h ARG 15 Cb 0.42 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3i9d h ARG 15 CO -0.53 0.06 -0.05 1.25 0.56 0.00 0.00 179.97 181.26 3i9d h HIS 16 N 0.09 0.10 -1.01 3.04 2.76 0.82 -0.48 115.15 120.47 3i9d h HIS 16 Ca 0.82 -0.04 0.16 0.00 -2.20 0.00 0.00 60.37 59.11 3i9d h HIS 16 Cb 2.60 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 31.44 3i9d h HIS 16 CO -0.00 0.61 0.62 0.00 -1.30 0.00 0.00 177.93 177.86 3i9d h ARG 17 N -0.43 0.85 -0.31 5.26 3.08 0.49 0.36 114.38 123.67 3i9d h ARG 17 Ca 0.00 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 3i9d h ARG 17 Cb 0.60 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3i9d h ARG 17 CO 0.01 0.56 -0.33 0.37 -1.07 0.00 0.00 179.97 179.51 3i9d h GLN 18 N 0.87 0.68 -0.70 0.04 4.15 -1.21 -2.91 115.11 116.04 3i9d h GLN 18 Ca 0.54 -0.32 0.02 0.00 0.77 0.00 0.00 58.65 59.67 3i9d h GLN 18 Cb 0.71 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.35 3i9d h GLN 18 CO -0.33 0.92 0.45 1.03 -1.93 0.00 0.00 178.83 178.96 3i9d h SER 19 N 0.57 0.75 -0.32 -0.69 0.87 0.14 -1.82 113.55 113.05 3i9d h SER 19 Ca 0.06 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 3i9d h SER 19 Cb 0.84 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3i9d h SER 19 CO 0.07 0.52 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.53 3i9d h LEU 20 N 0.89 0.87 -0.14 2.23 3.38 -1.14 -1.91 115.31 119.49 3i9d h LEU 20 Ca 0.27 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3i9d h LEU 20 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3i9d h LEU 20 CO -0.09 1.11 0.00 0.11 0.09 0.00 0.00 178.44 179.66 3i9d h LYS 21 N 0.71 0.25 0.03 1.13 1.57 -1.31 -0.13 116.57 118.82 3i9d h LYS 21 Ca 0.08 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3i9d h LYS 21 Cb 0.85 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3i9d h LYS 21 CO 0.07 0.47 -0.13 0.00 -0.57 0.00 0.00 179.45 179.30 3i9d h ARG 22 N -0.01 -0.22 -0.85 3.15 3.08 -1.33 -1.70 114.38 116.49 3i9d h ARG 22 Ca 0.04 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.25 3i9d h ARG 22 Cb 0.36 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.37 3i9d h ARG 22 CO 0.01 -0.15 0.44 -0.09 -1.07 0.00 0.00 179.97 179.11 3i9d h ARG 23 N -0.23 0.61 -0.64 0.04 2.43 -1.29 -0.30 114.38 115.00 3i9d h ARG 23 Ca 0.04 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3i9d h ARG 23 Cb 0.27 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3i9d h ARG 23 CO -0.11 0.40 0.38 1.25 -1.51 0.00 0.00 179.97 180.39 3i9d h LEU 24 N 0.63 0.61 0.15 3.80 7.12 -0.15 -1.79 115.31 125.68 3i9d h LEU 24 Ca 0.47 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.48 3i9d h LEU 24 Cb 0.66 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 3i9d h LEU 24 CO -0.36 0.42 -0.07 0.03 -0.13 0.00 0.00 178.44 178.32 3i9d h ARG 25 N 0.74 -0.20 0.00 1.25 3.08 -0.33 -3.13 114.38 115.80 3i9d h ARG 25 Ca 0.26 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3i9d h ARG 25 Cb 0.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3i9d h ARG 25 CO -0.12 -0.13 0.27 -2.95 -1.07 0.00 0.00 179.97 175.96 3i9d h ASN 26 N -0.33 0.00 0.19 7.04 -0.00 -1.30 0.15 115.58 121.33 3i9d h ASN 26 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.27 3i9d h ASN 26 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.48 3i9d h ASN 26 CO 0.03 0.00 -0.09 0.50 -0.00 0.00 0.00 177.43 177.87 3i9d h LYS 27 N 0.00 -0.25 0.00 4.14 3.64 -1.37 -2.98 116.57 119.75 3i9d h LYS 27 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3i9d h LYS 27 Cb 0.54 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3i9d h LYS 27 CO 0.00 0.12 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 3i9d n ALA 28 N -2.45 0.00 0.17 5.00 0.00 0.04 -1.32 120.51 121.95 3i9d n ALA 28 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.48 3i9d n ALA 28 Cb 0.25 0.08 0.37 0.00 0.00 0.00 0.00 19.45 20.15 3i9d n ALA 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3i9d h LYS 29 N 0.00 0.00 0.55 0.00 2.10 -1.75 0.32 116.57 117.79 3i9d h LYS 29 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 3i9d h LYS 29 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 3i9d h LYS 29 CO 0.00 0.00 -0.26 -0.22 -2.00 0.00 0.00 179.45 176.97 3i9d h LYS 30 N 0.00 -0.71 0.00 0.07 1.63 -1.23 -2.93 116.57 113.41 3i9d h LYS 30 Ca 0.15 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3i9d h LYS 30 Cb 1.84 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.63 3i9d h LYS 30 CO -0.00 -0.43 0.00 0.66 -3.45 0.00 0.00 179.45 176.23 3i9d h SER 31 N -1.14 0.00 0.49 4.20 4.64 0.91 -2.30 113.55 120.35 3i9d h SER 31 Ca -0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3i9d h SER 31 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3i9d h SER 31 CO 0.12 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.85 3i9d h ALA 32 N 2.02 -0.66 -0.22 5.18 0.00 -1.15 -2.17 119.26 122.25 3i9d h ALA 32 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3i9d h ALA 32 Cb 0.15 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3i9d h ALA 32 CO 0.00 -0.78 -0.33 0.82 0.00 0.00 0.00 179.25 178.96 3i9d h ILE 33 N -0.83 0.00 -1.00 0.00 1.08 -1.23 -0.12 117.51 115.41 3i9d h ILE 33 Ca -0.07 0.00 0.41 0.00 -0.39 0.00 0.00 64.86 64.81 3i9d h ILE 33 Cb 0.58 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.15 3i9d h ILE 33 CO 0.11 0.00 0.52 0.11 -0.69 0.00 0.00 178.15 178.20 3i9d h LYS 34 N -0.25 0.02 0.00 2.37 1.57 -1.48 0.53 116.57 119.33 3i9d h LYS 34 Ca 0.04 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 3i9d h LYS 34 Cb 0.36 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3i9d h LYS 34 CO -0.34 0.01 -0.97 1.79 -0.57 0.00 0.00 179.45 179.37 3i9d h THR 35 N 0.02 1.18 0.07 -0.16 1.35 -0.53 -2.89 112.91 111.96 3i9d h THR 35 Ca 0.83 -2.77 -0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3i9d h THR 35 Cb 2.16 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 71.14 3i9d h THR 35 CO -0.77 0.67 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.07 3i9d h LEU 36 N 0.00 -0.08 -1.91 3.87 -0.00 0.16 -0.66 115.31 116.69 3i9d h LEU 36 Ca -0.06 -0.39 0.10 0.00 -0.00 0.00 0.00 57.88 57.53 3i9d h LEU 36 Cb 1.65 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.32 3i9d h LEU 36 CO 0.09 0.57 0.46 0.28 -0.00 0.00 0.00 178.44 179.85 3i9d h SER 37 N -0.97 0.00 0.05 -0.43 0.02 -0.53 0.22 113.55 111.91 3i9d h SER 37 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3i9d h SER 37 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3i9d h SER 37 CO 0.02 0.00 -0.02 0.50 -1.14 0.00 0.00 176.83 176.18 3i9d h LYS 38 N 0.00 -0.07 -0.82 3.45 3.64 -1.39 -3.16 116.57 118.23 3i9d h LYS 38 Ca 0.16 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 3i9d h LYS 38 Cb 1.09 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 3i9d h LYS 38 CO -0.00 0.56 0.50 0.87 -2.27 0.00 0.00 179.45 179.10 3i9d h LYS 39 N -0.82 0.88 0.00 1.90 1.57 0.91 -2.52 116.57 118.49 3i9d h LYS 39 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i9d h LYS 39 Cb 0.65 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3i9d h LYS 39 CO 0.01 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 3i9d n ALA 40 N -2.35 -0.08 0.21 3.86 0.00 0.25 -1.16 120.51 121.24 3i9d n ALA 40 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 3i9d n ALA 40 Cb 0.18 0.27 0.59 0.00 0.00 0.00 0.00 19.45 20.49 3i9d n ALA 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3i9d h ILE 41 N 0.00 0.00 0.00 0.00 3.07 -1.52 1.19 117.51 120.25 3i9d h ILE 41 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3i9d h ILE 41 Cb 0.00 0.48 0.00 0.00 -0.27 0.00 0.00 36.82 37.03 3i9d h ILE 41 CO 0.00 0.00 0.00 1.67 -1.05 0.00 0.00 178.15 178.77 3i9d n GLN 42 N -2.35 0.06 -0.02 0.16 -0.06 -0.31 -2.53 117.38 112.34 3i9d n GLN 42 Ca -0.01 0.11 -0.01 0.00 -2.00 0.00 0.00 57.00 55.09 3i9d n GLN 42 Cb 0.20 -1.58 -0.04 0.00 -4.06 0.00 0.00 30.24 24.76 3i9d n GLN 42 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3i9d n LEU 43 N -1.70 0.00 0.22 1.69 4.77 0.38 -3.67 117.00 118.69 3i9d n LEU 43 Ca 0.06 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.10 3i9d n LEU 43 Cb 0.32 0.08 0.52 0.00 -2.33 0.00 0.00 43.42 42.00 3i9d n LEU 43 CO 0.25 0.08 0.87 0.00 -1.33 0.00 0.00 177.39 177.26 3i9d h ALA 44 N 0.31 1.52 0.08 -1.18 0.00 -0.66 -1.09 119.26 118.24 3i9d h ALA 44 Ca -0.08 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.27 3i9d h ALA 44 Cb 0.93 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3i9d h ALA 44 CO 0.00 0.27 -2.07 0.94 0.00 0.00 0.00 179.25 178.40 3i9d n GLN 45 N -4.10 0.72 0.00 0.00 0.00 -1.05 -3.03 117.38 109.92 3i9d n GLN 45 Ca -0.02 0.24 0.06 0.00 -0.00 0.00 0.00 57.00 57.27 3i9d n GLN 45 Cb 0.29 -1.68 0.36 0.00 0.00 0.00 0.00 30.24 29.20 3i9d n GLN 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3i9d n GLU 46 N -3.37 0.38 -0.06 3.69 2.13 -1.00 -4.86 120.64 117.55 3i9d n GLU 46 Ca -0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.49 3i9d n GLU 46 Cb 1.04 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.25 3i9d n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i9d n GLY 47 N -0.25 1.74 2.01 8.31 0.00 -0.44 -4.86 105.19 111.71 3i9d n GLY 47 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i9d n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9d n LYS 48 N -2.00 0.00 0.00 1.61 4.76 -1.10 -4.67 118.16 116.76 3i9d n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i9d n LYS 48 Cb 0.00 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3i9d n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i9d n ALA 49 N 1.78 0.00 0.15 7.82 0.00 -1.26 -2.51 120.51 126.49 3i9d n ALA 49 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3i9d n ALA 49 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i9d n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i9d h GLU 50 N 0.00 -0.36 -1.57 0.00 4.11 -1.86 -3.13 114.58 111.77 3i9d h GLU 50 Ca 0.00 0.02 0.45 0.00 0.07 0.00 0.00 59.36 59.91 3i9d h GLU 50 Cb 0.00 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3i9d h GLU 50 CO 0.00 -0.24 1.30 -0.85 0.07 0.00 0.00 179.01 179.29 3i9d n GLU 51 N -3.02 0.01 0.24 1.06 0.28 -1.04 0.14 120.64 118.30 3i9d n GLU 51 Ca -0.05 1.02 -0.14 0.00 -0.16 0.00 0.00 57.16 57.83 3i9d n GLU 51 Cb 0.15 -2.42 -0.08 0.00 1.43 0.00 0.00 31.44 30.52 3i9d n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i9d h ALA 52 N 0.78 -0.62 0.00 -1.84 0.00 -1.49 -2.54 119.26 113.56 3i9d h ALA 52 Ca 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3i9d h ALA 52 Cb 3.34 0.24 0.00 0.00 0.00 0.00 0.00 17.79 21.37 3i9d h ALA 52 CO -0.01 -0.72 0.00 1.28 0.00 0.00 0.00 179.25 179.80 3i9d n LEU 53 N -5.26 0.16 0.07 0.00 4.77 0.36 0.69 117.00 117.79 3i9d n LEU 53 Ca -0.11 0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 3i9d n LEU 53 Cb 0.30 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3i9d n LEU 53 CO 0.32 -0.49 0.25 0.50 -1.33 0.00 0.00 177.39 176.63 3i9d h LYS 54 N 0.00 0.33 0.00 3.23 3.64 -0.92 -2.22 116.57 120.63 3i9d h LYS 54 Ca 0.00 -0.33 -0.21 0.00 -1.27 0.00 0.00 60.65 58.84 3i9d h LYS 54 Cb 0.13 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3i9d h LYS 54 CO 0.00 1.02 -1.60 -0.89 -2.27 0.00 0.00 179.45 175.71 3i9d n ILE 55 N -3.74 1.24 0.30 2.00 2.08 0.16 -1.77 119.36 119.63 3i9d n ILE 55 Ca -0.05 -0.72 0.17 0.00 0.56 0.00 0.00 62.75 62.71 3i9d n ILE 55 Cb 0.79 -0.74 0.80 0.00 -0.75 0.00 0.00 39.64 39.74 3i9d n ILE 55 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 3i9d h MET 56 N 0.00 0.00 0.00 0.38 4.05 0.33 0.20 114.93 119.89 3i9d h MET 56 Ca -0.22 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 58.88 3i9d h MET 56 Cb 1.71 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.46 3i9d h MET 56 CO 0.05 0.00 -1.86 -2.13 0.23 0.00 0.00 176.91 173.20 3i9d n ARG 57 N -2.78 0.57 -0.16 0.39 0.63 -0.84 -3.06 116.66 111.41 3i9d n ARG 57 Ca -0.01 0.38 0.29 0.00 -0.92 0.00 0.00 57.85 57.59 3i9d n ARG 57 Cb 0.17 -1.59 0.72 0.00 0.45 0.00 0.00 32.46 32.21 3i9d n ARG 57 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3i9d h LYS 58 N -1.00 0.00 0.05 -0.14 1.63 -0.95 0.26 116.57 116.42 3i9d h LYS 58 Ca -0.48 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.20 3i9d h LYS 58 Cb 1.39 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.02 3i9d h LYS 58 CO -0.29 0.00 -0.58 0.00 -3.45 0.00 0.00 179.45 175.13 3i9d h ALA 59 N 1.42 0.05 0.00 5.00 0.00 -0.79 -3.25 119.26 121.69 3i9d h ALA 59 Ca 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i9d h ALA 59 Cb 1.82 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3i9d h ALA 59 CO -0.00 0.31 0.25 1.49 0.00 0.00 0.00 179.25 181.29 3i9d h GLU 60 N -0.77 0.00 0.00 0.00 4.81 -0.50 -2.22 114.58 115.91 3i9d h GLU 60 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3i9d h GLU 60 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3i9d h GLU 60 CO 0.01 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 178.74 3i9d n SER 61 N -2.52 0.00 -0.43 1.04 2.88 -0.04 -4.06 113.62 110.49 3i9d n SER 61 Ca -0.02 0.11 0.34 0.00 -1.33 0.00 0.00 58.87 57.98 3i9d n SER 61 Cb 0.29 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.28 3i9d n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i9d n LEU 62 N -0.40 0.05 0.00 2.46 4.32 -0.89 -1.66 117.00 120.88 3i9d n LEU 62 Ca 0.00 0.78 0.00 0.00 -0.02 0.00 0.00 56.01 56.77 3i9d n LEU 62 Cb 0.00 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 3i9d n LEU 62 CO 0.00 -0.81 0.38 -0.38 -1.22 0.00 0.00 177.39 175.37 3i9d n ILE 63 N -3.58 0.00 -0.15 -0.08 5.41 -0.89 -1.65 119.36 118.42 3i9d n ILE 63 Ca 0.30 1.27 -0.03 0.00 1.00 0.00 0.00 62.75 65.29 3i9d n ILE 63 Cb 1.28 -2.26 0.06 0.00 -0.71 0.00 0.00 39.64 38.01 3i9d n ILE 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3i9d h ASP 64 N 0.00 -0.11 -0.88 4.38 5.19 -1.46 0.29 116.42 123.83 3i9d h ASP 64 Ca 0.00 0.10 0.21 0.00 -0.62 0.00 0.00 57.03 56.72 3i9d h ASP 64 Cb 0.00 0.17 -0.16 0.00 0.18 0.00 0.00 39.33 39.51 3i9d h ASP 64 CO 0.00 -0.03 -0.04 0.50 -3.12 0.00 0.00 179.24 176.55 3i9d h LYS 65 N 0.16 0.04 0.00 3.56 3.64 -1.37 1.71 116.57 124.32 3i9d h LYS 65 Ca 0.24 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 3i9d h LYS 65 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3i9d h LYS 65 CO -0.36 0.03 -0.71 0.00 -2.27 0.00 0.00 179.45 176.14 3i9d h ALA 66 N 1.86 0.55 0.00 5.00 0.00 -0.36 -3.27 119.26 123.04 3i9d h ALA 66 Ca 0.49 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i9d h ALA 66 Cb 0.89 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i9d h ALA 66 CO -0.83 0.89 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3i9d h ALA 67 N 1.29 1.00 -0.31 0.00 0.00 0.61 -3.23 119.26 118.62 3i9d h ALA 67 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i9d h ALA 67 Cb 1.53 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 3i9d h ALA 67 CO 0.09 0.00 -0.08 0.87 0.00 0.00 0.00 179.25 180.13 3i9d h LYS 68 N 0.00 -0.00 0.00 0.00 1.57 -0.93 -3.41 116.57 113.80 3i9d h LYS 68 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i9d h LYS 68 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3i9d h LYS 68 CO 0.00 -0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3i9d n GLY 69 N -1.26 1.68 0.61 3.86 0.00 -1.22 -4.96 105.19 103.90 3i9d n GLY 69 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3i9d n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9d n SER 70 N 0.00 0.85 0.00 1.61 7.64 -1.26 -4.40 113.62 118.06 3i9d n SER 70 Ca 0.00 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.70 3i9d n SER 70 Cb 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 3i9d n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3i9d n THR 71 N 0.32 0.00 -3.04 0.44 -1.04 -1.26 -4.82 114.28 104.88 3i9d n THR 71 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 3i9d n THR 71 Cb 0.18 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.69 3i9d n THR 71 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i9d s LEU 72 N 0.00 5.38 0.00 -4.42 0.20 -1.26 -4.98 118.68 113.59 3i9d s LEU 72 Ca 0.00 -3.04 0.00 0.00 0.69 0.00 0.00 54.13 51.78 3i9d s LEU 72 Cb 0.00 -2.35 0.00 0.00 -0.43 0.00 0.00 46.19 43.41 3i9d s LEU 72 CO 0.00 -0.67 0.00 1.41 -0.29 0.00 0.00 176.35 176.80 3i9d n HIS 73 N 5.04 -0.49 0.00 5.38 8.25 -1.26 -4.07 115.22 128.07 3i9d n HIS 73 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 3i9d n HIS 73 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3i9d n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i9d n LYS 74 N -0.10 0.00 0.00 -0.41 4.76 -1.26 -3.00 118.16 118.15 3i9d n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i9d n LYS 74 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i9d n LYS 74 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3i9d n ASN 75 N -3.64 1.35 0.03 4.39 6.94 -1.26 -2.65 115.26 120.43 3i9d n ASN 75 Ca 0.00 -1.24 -0.22 0.00 -0.02 0.00 0.00 54.58 53.10 3i9d n ASN 75 Cb 0.00 -0.31 -0.14 0.00 -2.36 0.00 0.00 39.78 36.97 3i9d n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i9d h ALA 76 N 1.84 0.19 -0.67 -2.53 0.00 -1.88 -0.96 119.26 115.27 3i9d h ALA 76 Ca 0.00 -1.14 0.12 0.00 0.00 0.00 0.00 54.91 53.90 3i9d h ALA 76 Cb 0.49 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3i9d h ALA 76 CO 0.00 0.94 0.45 0.00 0.00 0.00 0.00 179.25 180.64 3i9d h ALA 77 N 0.02 2.09 -0.02 0.00 0.00 -1.51 0.14 119.26 119.97 3i9d h ALA 77 Ca -0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3i9d h ALA 77 Cb 1.90 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.63 3i9d h ALA 77 CO 0.10 -0.26 -0.29 0.00 0.00 0.00 0.00 179.25 178.80 3i9d h ALA 78 N 1.68 0.07 -0.29 0.00 0.00 -1.75 -2.59 119.26 116.37 3i9d h ALA 78 Ca 0.32 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3i9d h ALA 78 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3i9d h ALA 78 CO -0.09 0.13 0.37 -0.09 0.00 0.00 0.00 179.25 179.57 3i9d h ARG 79 N -0.35 0.00 0.00 0.00 2.43 0.39 0.41 114.38 117.27 3i9d h ARG 79 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i9d h ARG 79 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3i9d h ARG 79 CO 0.06 0.00 -0.00 0.00 -1.51 0.00 0.00 179.97 178.52 3i9d h ARG 80 N 0.00 0.00 -0.79 0.20 2.47 -1.03 -3.37 114.38 111.86 3i9d h ARG 80 Ca 0.14 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.98 3i9d h ARG 80 Cb 0.89 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.07 3i9d h ARG 80 CO -0.00 0.00 -0.39 0.87 0.56 0.00 0.00 179.97 181.01 3i9d h LYS 81 N -0.15 -0.09 0.00 0.04 1.57 -1.02 0.20 116.57 117.12 3i9d h LYS 81 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3i9d h LYS 81 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3i9d h LYS 81 CO 0.00 -0.06 0.10 -1.13 -0.57 0.00 0.00 179.45 177.80 3i9d n SER 82 N -5.44 0.00 -0.00 0.86 3.41 0.14 -1.19 113.62 111.39 3i9d n SER 82 Ca 0.06 0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.77 3i9d n SER 82 Cb 0.37 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 3i9d n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i9d n ARG 83 N -0.99 0.05 -0.19 4.33 1.74 0.59 -4.23 116.66 117.96 3i9d n ARG 83 Ca 0.00 0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 3i9d n ARG 83 Cb 0.10 -0.58 -0.05 0.00 -1.02 0.00 0.00 32.46 30.91 3i9d n ARG 83 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i9d h LEU 84 N -0.09 -1.06 -0.58 0.55 7.12 0.16 0.59 115.31 122.01 3i9d h LEU 84 Ca -0.05 0.16 -0.15 0.00 0.13 0.00 0.00 57.88 57.97 3i9d h LEU 84 Cb 0.89 0.47 -0.01 0.00 -0.53 0.00 0.00 40.66 41.48 3i9d h LEU 84 CO -0.03 -0.12 -0.46 0.00 -0.13 0.00 0.00 178.44 177.69 3i9d h MET 85 N -0.02 0.60 -0.10 1.25 -0.00 -1.72 -1.37 114.93 113.57 3i9d h MET 85 Ca 0.07 -0.34 0.03 0.00 -0.00 0.00 0.00 59.70 59.47 3i9d h MET 85 Cb 0.21 0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 31.83 3i9d h MET 85 CO -0.45 0.94 0.56 -0.09 -0.00 0.00 0.00 176.91 177.87 3i9d h ARG 86 N 0.48 0.00 0.00 -0.10 2.43 -0.59 -2.08 114.38 114.52 3i9d h ARG 86 Ca 0.03 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 3i9d h ARG 86 Cb 0.99 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 3i9d h ARG 86 CO 0.09 0.00 -1.74 1.17 -1.51 0.00 0.00 179.97 177.98 3i9d n LYS 87 N -2.90 0.30 -0.41 0.20 3.00 0.17 -4.32 118.16 114.20 3i9d n LYS 87 Ca 0.01 0.10 0.40 0.00 -0.00 0.00 0.00 58.31 58.82 3i9d n LYS 87 Cb 0.62 -1.09 0.77 0.00 0.00 0.00 0.00 35.03 35.33 3i9d n LYS 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i9d h VAL 88 N -0.28 0.30 -0.03 3.15 2.07 -0.64 0.73 116.25 121.55 3i9d h VAL 88 Ca -0.32 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3i9d h VAL 88 Cb 1.36 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3i9d h VAL 88 CO -0.14 0.00 -0.19 -0.09 0.02 0.00 0.00 177.57 177.17 3i9d h ARG 89 N 0.00 0.18 0.00 1.57 2.43 -1.64 -2.54 114.38 114.38 3i9d h ARG 89 Ca 0.65 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 3i9d h ARG 89 Cb 2.64 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 32.23 3i9d h ARG 89 CO -0.01 0.84 0.00 1.04 -1.51 0.00 0.00 179.97 180.33 3i9d n GLN 90 N -4.56 0.07 0.02 0.20 6.02 0.24 0.12 117.38 119.47 3i9d n GLN 90 Ca -0.09 0.24 0.11 0.00 -0.01 0.00 0.00 57.00 57.25 3i9d n GLN 90 Cb 0.45 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.10 3i9d n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i9d n LEU 91 N -1.42 0.32 -0.01 1.08 4.77 -0.12 -4.21 117.00 117.40 3i9d n LEU 91 Ca 0.04 0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 3i9d n LEU 91 Cb 0.13 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 3i9d n LEU 91 CO 0.11 -0.01 -0.49 0.18 -1.33 0.00 0.00 177.39 175.85 3i9d n LEU 92 N -2.24 0.26 0.00 2.23 4.77 -0.06 -4.23 117.00 117.73 3i9d n LEU 92 Ca -0.02 -0.16 0.07 0.00 -0.03 0.00 0.00 56.01 55.86 3i9d n LEU 92 Cb 0.53 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.03 3i9d n LEU 92 CO 0.44 0.06 0.71 -1.84 -1.33 0.00 0.00 177.39 175.44 3i9d n GLU 93 N -1.86 0.88 -2.80 3.23 0.00 0.31 -3.04 120.64 117.36 3i9d n GLU 93 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.88 3i9d n GLU 93 Cb 0.39 -1.24 -0.03 0.00 0.00 0.00 0.00 31.44 30.56 3i9d n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i9d n ALA 94 N -0.74 4.84 0.00 -1.84 0.00 -1.26 -5.02 120.51 116.48 3i9d n ALA 94 Ca 0.10 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 48.94 3i9d n ALA 94 Cb 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3i9d n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9d n ALA 95 N -0.31 0.00 0.00 0.00 0.00 -1.17 -5.04 120.51 113.99 3i9d n ALA 95 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3i9d n ALA 95 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3i9d n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 96 N 0.00 -0.03 0.00 0.00 0.00 -1.26 -4.84 105.19 99.07 3i9d n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d n ALA 97 N 0.00 -0.60 -0.15 4.61 0.00 -1.25 -4.48 120.51 118.65 3i9d n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9d n ALA 97 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3i9d n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i9d n PRO 98 N -0.81 0.00 -0.03 0.00 -0.02 -1.26 -4.65 135.00 128.23 3i9d n PRO 98 Ca 0.00 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 3i9d n PRO 98 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3i9d n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i9d n LEU 99 N 3.79 0.41 0.00 2.45 4.32 -1.26 -4.35 117.00 122.35 3i9d n LEU 99 Ca 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 3i9d n LEU 99 Cb 0.00 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 3i9d n LEU 99 CO 0.29 0.08 0.00 0.00 -1.22 0.00 0.00 177.39 176.53 3i9d n ILE 100 N 1.69 0.00 -1.26 -0.08 0.13 -1.26 -3.96 119.36 114.62 3i9d n ILE 100 Ca 0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.57 3i9d n ILE 100 Cb 0.04 0.00 0.22 0.00 -0.84 0.00 0.00 39.64 39.07 3i9d n ILE 100 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i9d n GLY 101 N -1.36 4.46 0.08 4.50 0.00 -1.26 -4.76 105.19 106.85 3i9d n GLY 101 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3i9d n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 102 N -0.87 -0.13 2.12 -0.02 0.00 -1.26 -3.64 105.19 101.40 3i9d n GLY 102 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3i9d n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 103 N -1.04 -1.28 3.76 -0.02 0.00 -1.26 -4.83 105.19 100.53 3i9d n GLY 103 Ca 0.00 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3i9d n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i9d s LEU 104 N -6.01 4.50 -0.07 0.99 2.96 -1.24 -5.04 118.68 114.76 3i9d s LEU 104 Ca 0.00 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 3i9d s LEU 104 Cb 0.00 -3.68 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3i9d s LEU 104 CO 0.00 -0.23 -0.05 -0.94 -1.32 0.00 0.00 176.35 173.81 3i9d s SER 105 N -0.89 4.80 0.00 3.68 1.04 -1.26 -4.58 113.70 116.50 3i9d s SER 105 Ca 0.46 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.92 3i9d s SER 105 Cb -0.32 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.55 3i9d s SER 105 CO 0.41 0.37 0.00 0.00 0.98 0.00 0.00 173.24 175.00