#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d n HIS 3 N 0.00 -0.21 -0.27 -1.55 1.44 -1.26 -4.65 115.22 108.72 3d5d n HIS 3 Ca 0.00 0.10 0.06 0.00 -2.01 0.00 0.00 57.72 55.87 3d5d n HIS 3 Cb 0.00 -0.47 0.15 0.00 0.12 0.00 0.00 29.99 29.79 3d5d n HIS 3 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3d5d n LEU 4 N -1.60 2.97 0.09 2.39 7.94 -1.26 -4.60 117.00 122.93 3d5d n LEU 4 Ca -0.06 -2.13 0.05 0.00 -1.11 0.00 0.00 56.01 52.76 3d5d n LEU 4 Cb 0.12 -0.25 0.27 0.00 0.53 0.00 0.00 43.42 44.08 3d5d n LEU 4 CO 0.14 0.71 0.67 0.29 -1.11 0.00 0.00 177.39 178.09 3d5d n LYS 5 N 0.29 0.06 -0.03 1.96 4.01 -1.26 -4.58 118.16 118.62 3d5d n LYS 5 Ca 0.12 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.44 3d5d n LYS 5 Cb 0.47 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 3d5d n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3d5d n SER 6 N -1.82 0.00 -4.75 4.39 3.41 -1.26 -5.05 113.62 108.54 3d5d n SER 6 Ca -0.01 -0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 57.59 3d5d n SER 6 Cb 0.13 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3d5d n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3d5d s GLY 7 N -2.25 2.31 0.00 5.00 0.00 -1.26 -5.02 107.32 106.10 3d5d s GLY 7 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.39 3d5d s GLY 7 CO 0.00 0.49 0.00 -0.96 0.00 0.00 0.00 173.10 172.63 3d5d n ARG 8 N 3.31 0.00 -3.55 2.90 1.85 -1.26 -4.97 116.66 114.94 3d5d n ARG 8 Ca -0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.61 3d5d n ARG 8 Cb 0.52 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.88 3d5d n ARG 8 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3d5d s LYS 9 N 0.00 1.09 -0.03 2.89 0.00 -1.26 -5.08 119.74 117.35 3d5d s LYS 9 Ca 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 55.97 55.40 3d5d s LYS 9 Cb 0.00 0.50 0.05 0.00 0.00 0.00 0.00 37.83 38.38 3d5d s LYS 9 CO 0.00 -0.41 0.56 -0.51 0.00 0.00 0.00 175.35 174.98 3d5d s LEU 10 N -2.19 -0.16 0.50 2.77 1.02 -1.26 -5.04 118.68 114.32 3d5d s LEU 10 Ca -0.03 0.47 0.07 0.00 0.02 0.00 0.00 54.13 54.66 3d5d s LEU 10 Cb -0.00 2.13 0.02 0.00 0.02 0.00 0.00 46.19 48.36 3d5d s LEU 10 CO -0.05 -0.58 0.46 0.21 0.02 0.00 0.00 176.35 176.42 3d5d s ASN 11 N -1.33 4.87 0.28 2.29 3.84 -1.26 -5.02 114.94 118.61 3d5d s ASN 11 Ca -0.11 -0.99 0.00 0.00 0.21 0.00 0.00 52.86 51.97 3d5d s ASN 11 Cb -0.02 0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.71 3d5d s ASN 11 CO 0.07 -0.98 0.00 0.54 -2.79 0.00 0.00 177.10 173.94 3d5d n ARG 12 N -1.77 0.00 -4.38 0.43 1.74 -1.26 -4.45 116.66 106.97 3d5d n ARG 12 Ca 0.03 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.90 3d5d n ARG 12 Cb 0.63 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.94 3d5d n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3d5d s HIS 13 N 0.00 1.44 0.00 -1.55 -3.43 -1.26 -4.91 115.29 105.58 3d5d s HIS 13 Ca 0.00 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 53.88 3d5d s HIS 13 Cb 0.00 -0.84 0.00 0.00 -1.43 0.00 0.00 32.58 30.31 3d5d s HIS 13 CO 0.00 0.08 0.00 -1.13 -2.00 0.00 0.00 174.74 171.69 3d5d n SER 14 N 1.68 0.00 -0.32 7.38 3.41 -1.26 0.12 113.62 124.64 3d5d n SER 14 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3d5d n SER 14 Cb 0.54 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.56 3d5d n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3d5d h SER 15 N 0.00 -1.11 0.00 4.04 4.64 -1.98 0.15 113.55 119.29 3d5d h SER 15 Ca 0.00 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3d5d h SER 15 Cb 0.00 0.63 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3d5d h SER 15 CO 0.00 -0.29 0.00 1.57 -0.87 0.00 0.00 176.83 177.24 3d5d n HIS 16 N -5.51 0.00 -0.37 4.77 -0.00 0.33 -1.12 115.22 113.33 3d5d n HIS 16 Ca 0.10 0.00 0.28 0.00 -0.00 0.00 0.00 57.72 58.11 3d5d n HIS 16 Cb 0.41 -0.41 0.56 0.00 -0.00 0.00 0.00 29.99 30.55 3d5d n HIS 16 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3d5d h ARG 17 N 0.00 0.26 0.80 1.57 0.11 -0.97 0.25 114.38 116.39 3d5d h ARG 17 Ca 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 3d5d h ARG 17 Cb 0.00 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.03 3d5d h ARG 17 CO 0.00 0.17 -0.39 1.25 0.10 0.00 0.00 179.97 181.10 3d5d h LEU 18 N 0.26 -0.91 -1.81 0.08 7.12 -0.51 -1.15 115.31 118.38 3d5d h LEU 18 Ca 0.69 0.03 0.21 0.00 0.13 0.00 0.00 57.88 58.94 3d5d h LEU 18 Cb 1.94 0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 42.26 3d5d h LEU 18 CO -0.37 -0.59 0.55 0.00 -0.13 0.00 0.00 178.44 177.91 3d5d h ALA 19 N -1.37 2.50 0.77 1.25 0.00 0.57 -1.37 119.26 121.60 3d5d h ALA 19 Ca -0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3d5d h ALA 19 Cb 0.83 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3d5d h ALA 19 CO 0.18 -0.73 -0.45 1.25 0.00 0.00 0.00 179.25 179.50 3d5d h LEU 20 N 0.16 -1.12 -0.30 0.00 5.85 -0.10 0.14 115.31 119.94 3d5d h LEU 20 Ca 0.39 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.23 3d5d h LEU 20 Cb 1.29 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 42.56 3d5d h LEU 20 CO -0.07 -0.70 -0.31 1.88 -0.34 0.00 0.00 178.44 178.90 3d5d h TYR 21 N -1.14 -0.85 -0.55 1.25 -1.99 -0.18 0.49 116.97 114.02 3d5d h TYR 21 Ca -0.10 0.05 0.10 0.00 2.00 0.00 0.00 58.73 60.78 3d5d h TYR 21 Cb 0.90 0.42 -0.08 0.00 2.00 0.00 0.00 36.73 39.96 3d5d h TYR 21 CO -0.06 -0.37 0.08 0.00 -0.00 0.00 0.00 178.16 177.81 3d5d h ARG 22 N -0.29 0.20 -0.06 4.88 3.08 -1.24 0.25 114.38 121.21 3d5d h ARG 22 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3d5d h ARG 22 Cb 0.53 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3d5d h ARG 22 CO -0.46 0.13 0.04 -0.91 -1.07 0.00 0.00 179.97 177.70 3d5d h ASN 23 N 0.21 0.07 0.49 7.04 2.35 0.36 0.11 115.58 126.21 3d5d h ASN 23 Ca 0.28 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3d5d h ASN 23 Cb 0.41 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 3d5d h ASN 23 CO -0.39 0.08 -0.09 1.56 -1.65 0.00 0.00 177.43 176.94 3d5d h GLN 24 N 0.05 0.00 0.24 0.81 4.20 -0.42 -0.35 115.11 119.64 3d5d h GLN 24 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3d5d h GLN 24 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3d5d h GLN 24 CO -0.00 0.09 -0.12 0.00 -0.67 0.00 0.00 178.83 178.13 3d5d h ALA 25 N 1.91 -0.32 -0.26 3.87 0.00 0.27 -1.13 119.26 123.61 3d5d h ALA 25 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3d5d h ALA 25 Cb 0.36 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 3d5d h ALA 25 CO 0.01 -0.37 -0.35 0.87 0.00 0.00 0.00 179.25 179.41 3d5d h LYS 26 N -0.95 -0.34 -0.65 0.00 1.57 -0.50 0.71 116.57 116.40 3d5d h LYS 26 Ca -0.03 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3d5d h LYS 26 Cb 0.48 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 3d5d h LYS 26 CO 0.05 -0.23 0.36 0.77 -0.57 0.00 0.00 179.45 179.84 3d5d h SER 27 N -0.35 0.54 0.37 0.86 0.02 -1.18 -2.04 113.55 111.77 3d5d h SER 27 Ca 0.12 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3d5d h SER 27 Cb 0.56 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 3d5d h SER 27 CO -0.45 0.35 -0.21 0.25 -1.14 0.00 0.00 176.83 175.63 3d5d h LEU 28 N 0.67 -0.52 0.00 5.07 7.12 0.01 -1.61 115.31 126.05 3d5d h LEU 28 Ca 0.29 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.33 3d5d h LEU 28 Cb 0.17 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 3d5d h LEU 28 CO -0.18 -0.34 0.00 0.18 -0.13 0.00 0.00 178.44 177.97 3d5d n LEU 29 N -5.34 0.00 0.00 2.25 4.77 0.12 0.11 117.00 118.91 3d5d n LEU 29 Ca -0.10 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 3d5d n LEU 29 Cb 0.25 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 3d5d n LEU 29 CO 0.34 -0.21 -0.77 0.41 -1.33 0.00 0.00 177.39 175.83 3d5d n THR 30 N -1.33 1.76 -0.01 -5.08 -1.04 -0.66 -4.64 114.28 103.28 3d5d n THR 30 Ca 0.05 -0.68 0.01 0.00 -2.04 0.00 0.00 64.05 61.39 3d5d n THR 30 Cb 0.10 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 3d5d n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3d5d n HIS 31 N -3.42 0.00 0.00 -1.42 8.25 -0.86 -5.04 115.22 112.73 3d5d n HIS 31 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3d5d n HIS 31 Cb 1.05 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 32.03 3d5d n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5d n GLY 32 N 2.40 1.85 3.47 -1.41 0.00 0.30 -4.87 105.19 106.93 3d5d n GLY 32 Ca -0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3d5d n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5d s ARG 33 N 0.00 3.12 0.02 1.61 3.00 -1.26 -3.41 118.95 122.03 3d5d s ARG 33 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 55.73 55.02 3d5d s ARG 33 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 34.95 30.91 3d5d s ARG 33 CO 0.00 -1.00 -0.22 0.42 0.00 0.00 0.00 175.30 174.50 3d5d s ILE 34 N 2.36 1.73 -0.13 1.52 -1.09 -1.18 -4.99 121.20 119.42 3d5d s ILE 34 Ca 0.14 -1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 57.45 3d5d s ILE 34 Cb -0.18 -1.47 -0.02 0.00 -1.58 0.00 0.00 42.46 39.21 3d5d s ILE 34 CO 0.13 0.34 -0.10 0.42 -1.23 0.00 0.00 174.94 174.51 3d5d s THR 35 N -0.67 3.31 0.00 2.92 -4.23 -1.26 -1.02 115.64 114.70 3d5d s THR 35 Ca 0.08 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3d5d s THR 35 Cb -0.09 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3d5d s THR 35 CO 0.01 0.52 0.00 1.07 -0.54 0.00 0.00 174.62 175.67 3d5d n THR 36 N 3.48 0.00 -1.97 3.99 5.66 -1.22 -4.95 114.28 119.28 3d5d n THR 36 Ca -0.18 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.52 3d5d n THR 36 Cb 0.53 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.33 3d5d n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3d5d s THR 37 N -2.55 4.32 0.11 1.09 -4.23 -1.26 0.32 115.64 113.43 3d5d s THR 37 Ca 0.00 0.66 -0.32 0.00 -1.18 0.00 0.00 61.69 60.85 3d5d s THR 37 Cb 0.00 -3.73 -0.12 0.00 1.34 0.00 0.00 72.50 69.99 3d5d s THR 37 CO 0.00 -0.94 1.58 0.58 -0.54 0.00 0.00 174.62 175.30 3d5d h VAL 38 N -0.36 0.11 0.94 2.29 2.07 -1.61 -1.90 116.25 117.77 3d5d h VAL 38 Ca -0.45 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 3d5d h VAL 38 Cb 1.21 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3d5d h VAL 38 CO 0.62 0.00 -0.46 -0.65 0.02 0.00 0.00 177.57 177.10 3d5d h PRO 39 N -0.73 -1.23 -1.03 1.57 0.11 -1.94 -1.96 132.00 126.80 3d5d h PRO 39 Ca 0.00 0.08 0.41 0.00 0.11 0.00 0.00 66.00 66.61 3d5d h PRO 39 Cb 0.72 0.28 -0.17 0.00 0.11 0.00 0.00 31.00 31.94 3d5d h PRO 39 CO -0.23 -0.82 0.57 0.87 -0.21 0.00 0.00 178.00 178.19 3d5d h LYS 40 N -1.27 0.04 0.60 1.05 1.57 -1.95 0.34 116.57 116.95 3d5d h LYS 40 Ca -0.13 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3d5d h LYS 40 Cb 0.98 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.29 3d5d h LYS 40 CO 0.20 0.03 -0.29 0.00 -0.57 0.00 0.00 179.45 178.82 3d5d h ALA 41 N 1.95 -0.81 -0.69 3.86 0.00 -1.10 -1.25 119.26 121.23 3d5d h ALA 41 Ca 0.84 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.70 3d5d h ALA 41 Cb 2.22 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 20.20 3d5d h ALA 41 CO -0.73 -0.79 -0.05 0.87 0.00 0.00 0.00 179.25 178.55 3d5d h LYS 42 N -1.14 0.07 -0.03 0.00 1.57 0.42 0.45 116.57 117.91 3d5d h LYS 42 Ca -0.08 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3d5d h LYS 42 Cb 0.66 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3d5d h LYS 42 CO 0.14 0.05 -0.01 0.93 -0.57 0.00 0.00 179.45 179.98 3d5d h GLU 43 N 0.07 0.07 -0.87 3.15 3.07 -1.39 -3.01 114.58 115.67 3d5d h GLU 43 Ca 0.36 -0.03 0.16 0.00 -0.50 0.00 0.00 59.36 59.35 3d5d h GLU 43 Cb 0.59 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.44 3d5d h GLU 43 CO -0.63 0.45 0.57 1.25 -1.40 0.00 0.00 179.01 179.25 3d5d h LEU 44 N -0.32 0.56 -0.08 1.33 7.12 -0.16 -1.91 115.31 121.84 3d5d h LEU 44 Ca 0.01 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.09 3d5d h LEU 44 Cb 0.43 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.43 3d5d h LEU 44 CO 0.00 0.27 -0.43 -0.09 -0.13 0.00 0.00 178.44 178.07 3d5d h ARG 45 N 0.58 -0.51 -0.52 1.25 2.43 0.00 -0.75 114.38 116.86 3d5d h ARG 45 Ca 0.44 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.67 3d5d h ARG 45 Cb 0.84 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 3d5d h ARG 45 CO -0.19 -0.34 0.31 0.78 -1.51 0.00 0.00 179.97 179.02 3d5d h GLY 46 N -0.53 0.74 0.81 2.80 0.00 -1.36 -2.55 103.07 102.97 3d5d h GLY 46 Ca 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.17 3d5d h GLY 46 CO -0.37 0.19 -0.08 -2.75 0.00 0.00 0.00 176.54 173.54 3d5d h PHE 47 N 0.62 -0.19 0.23 5.60 3.57 -1.09 -3.01 116.94 122.66 3d5d h PHE 47 Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3d5d h PHE 47 Cb 0.03 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3d5d h PHE 47 CO -0.07 -0.12 -0.11 0.28 -2.23 0.00 0.00 178.31 176.06 3d5d h VAL 48 N -0.14 0.82 -0.87 1.41 2.07 -1.03 -2.94 116.25 115.58 3d5d h VAL 48 Ca 0.03 -0.25 0.22 0.00 0.82 0.00 0.00 66.70 67.52 3d5d h VAL 48 Cb 0.17 0.97 -0.15 0.00 -1.52 0.00 0.00 31.29 30.76 3d5d h VAL 48 CO -0.07 0.06 0.11 0.44 0.02 0.00 0.00 177.57 178.12 3d5d h ASP 49 N -0.43 -0.24 -0.18 0.57 5.19 -1.44 0.31 116.42 120.20 3d5d h ASP 49 Ca -0.03 0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 3d5d h ASP 49 Cb 0.32 0.35 -0.06 0.00 0.18 0.00 0.00 39.33 40.12 3d5d h ASP 49 CO 0.05 -0.22 -0.22 -0.74 -3.12 0.00 0.00 179.24 175.00 3d5d h HIS 50 N 0.12 -0.58 -0.93 4.55 -0.00 -1.38 0.12 115.15 117.06 3d5d h HIS 50 Ca 0.52 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.98 3d5d h HIS 50 Cb 1.02 0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 28.65 3d5d h HIS 50 CO -0.38 -0.30 0.61 -0.07 -0.00 0.00 0.00 177.93 177.79 3d5d h LEU 51 N -0.25 0.96 0.22 0.26 3.38 -0.39 0.35 115.31 119.84 3d5d h LEU 51 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3d5d h LEU 51 Cb 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3d5d h LEU 51 CO -0.33 0.62 -0.11 0.40 0.09 0.00 0.00 178.44 179.12 3d5d h ILE 52 N 1.09 0.86 -0.76 1.22 1.08 -0.18 0.64 117.51 121.46 3d5d h ILE 52 Ca 0.39 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3d5d h ILE 52 Cb 0.14 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 3d5d h ILE 52 CO -0.14 0.12 0.43 -0.74 -0.69 0.00 0.00 178.15 177.13 3d5d h HIS 53 N -0.58 1.02 -0.14 1.37 2.76 -0.50 0.65 115.15 119.74 3d5d h HIS 53 Ca -0.03 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 3d5d h HIS 53 Cb 0.42 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3d5d h HIS 53 CO 0.01 0.70 -0.08 1.25 -1.30 0.00 0.00 177.93 178.52 3d5d h LEU 54 N 1.06 0.19 -0.10 0.26 6.46 -0.21 -0.96 115.31 122.00 3d5d h LEU 54 Ca 0.27 -0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 3d5d h LEU 54 Cb 0.00 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3d5d h LEU 54 CO -0.05 0.30 -0.53 0.00 -0.62 0.00 0.00 178.44 177.55 3d5d h ALA 55 N 1.72 0.68 -0.27 1.25 0.00 0.16 -3.01 119.26 119.80 3d5d h ALA 55 Ca 0.04 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3d5d h ALA 55 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3d5d h ALA 55 CO 0.01 0.66 0.34 -0.22 0.00 0.00 0.00 179.25 180.05 3d5d h LYS 56 N 0.00 0.00 0.00 0.00 1.63 0.16 -3.40 116.57 114.97 3d5d h LYS 56 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3d5d h LYS 56 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 3d5d h LYS 56 CO 0.07 0.00 0.00 -2.13 -3.45 0.00 0.00 179.45 173.94 3d5d n ARG 57 N -3.61 3.08 0.16 1.90 0.63 -1.14 -5.02 116.66 112.66 3d5d n ARG 57 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3d5d n ARG 57 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 3d5d n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3d5d n GLY 58 N 2.74 -1.30 3.10 5.14 0.00 -1.26 -5.11 105.19 108.51 3d5d n GLY 58 Ca 0.00 0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 3d5d n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d5d n ASP 59 N -3.19 -1.06 0.33 1.61 3.85 -1.26 -4.60 116.55 112.23 3d5d n ASP 59 Ca 0.00 1.03 0.22 0.00 -0.71 0.00 0.00 54.79 55.33 3d5d n ASP 59 Cb 0.00 -0.86 1.17 0.00 -1.35 0.00 0.00 41.12 40.07 3d5d n ASP 59 CO 0.00 0.00 0.00 0.17 -1.01 0.00 0.00 177.20 176.36 3d5d h LEU 60 N 1.03 0.00 0.06 -2.12 -0.00 -2.00 -0.42 115.31 111.86 3d5d h LEU 60 Ca -0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 3d5d h LEU 60 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 3d5d h LEU 60 CO 0.52 0.00 -0.03 -0.74 -0.00 0.00 0.00 178.44 178.19 3d5d h HIS 61 N 0.00 -0.08 -0.92 0.17 2.76 -1.99 0.35 115.15 115.44 3d5d h HIS 61 Ca 0.00 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3d5d h HIS 61 Cb 0.05 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 28.98 3d5d h HIS 61 CO 0.00 0.02 0.59 0.00 -1.30 0.00 0.00 177.93 177.24 3d5d h ALA 62 N 0.77 1.56 0.39 5.26 0.00 -1.39 0.36 119.26 126.22 3d5d h ALA 62 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3d5d h ALA 62 Cb 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3d5d h ALA 62 CO 0.01 0.26 -0.24 -0.09 0.00 0.00 0.00 179.25 179.19 3d5d h ARG 63 N 0.97 -0.57 -0.53 0.00 2.43 -0.97 -1.31 114.38 114.39 3d5d h ARG 63 Ca 0.42 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.78 3d5d h ARG 63 Cb 0.33 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3d5d h ARG 63 CO -0.18 -0.38 0.55 0.00 -1.51 0.00 0.00 179.97 178.45 3d5d h ARG 64 N -0.59 0.00 -0.23 0.20 3.08 0.04 0.32 114.38 117.19 3d5d h ARG 64 Ca -0.05 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 3d5d h ARG 64 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3d5d h ARG 64 CO 0.05 0.00 -0.52 1.25 -1.07 0.00 0.00 179.97 179.67 3d5d h LEU 65 N 0.00 0.87 -0.09 3.04 5.85 -0.37 -2.42 115.31 122.18 3d5d h LEU 65 Ca 0.25 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3d5d h LEU 65 Cb 1.35 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3d5d h LEU 65 CO -0.00 1.26 0.00 0.52 -0.34 0.00 0.00 178.44 179.88 3d5d n VAL 66 N -4.09 0.50 1.62 1.05 0.31 0.95 -2.30 118.33 116.37 3d5d n VAL 66 Ca -0.05 0.04 0.15 0.00 -0.01 0.00 0.00 64.34 64.47 3d5d n VAL 66 Cb 0.61 -0.74 0.81 0.00 -0.91 0.00 0.00 33.84 33.61 3d5d n VAL 66 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3d5d n LEU 67 N -1.75 0.07 0.07 7.52 7.99 -0.22 -1.98 117.00 128.70 3d5d n LEU 67 Ca 0.05 0.15 -0.16 0.00 -0.01 0.00 0.00 56.01 56.04 3d5d n LEU 67 Cb 0.30 -0.18 -0.14 0.00 -0.11 0.00 0.00 43.42 43.29 3d5d n LEU 67 CO 0.23 0.01 -0.28 0.03 -1.51 0.00 0.00 177.39 175.87 3d5d h ARG 68 N 0.09 0.24 0.00 3.23 3.08 -1.40 -3.42 114.38 116.21 3d5d h ARG 68 Ca 0.00 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3d5d h ARG 68 Cb 0.20 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3d5d h ARG 68 CO 0.00 1.11 0.00 -0.25 -1.07 0.00 0.00 179.97 179.76 3d5d n ASP 69 N -3.45 0.00 -4.71 7.04 10.43 -1.19 -4.87 116.55 119.80 3d5d n ASP 69 Ca -0.15 0.22 -0.42 0.00 2.57 0.00 0.00 54.79 57.02 3d5d n ASP 69 Cb 1.04 -0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.64 3d5d n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3d5d s LEU 70 N -3.41 4.36 -0.20 0.64 1.43 -0.84 -4.94 118.68 115.73 3d5d s LEU 70 Ca 0.00 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.02 3d5d s LEU 70 Cb 0.00 -3.57 -0.21 0.00 0.03 0.00 0.00 46.19 42.43 3d5d s LEU 70 CO 0.00 -0.42 0.04 1.67 0.23 0.00 0.00 176.35 177.87 3d5d n GLN 71 N 4.03 0.68 -1.57 1.70 -0.06 -1.26 -4.08 117.38 116.82 3d5d n GLN 71 Ca 0.08 0.16 -0.41 0.00 -2.00 0.00 0.00 57.00 54.83 3d5d n GLN 71 Cb 0.48 -1.59 -0.04 0.00 -4.06 0.00 0.00 30.24 25.03 3d5d n GLN 71 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 3d5d n ASP 72 N -3.22 2.84 -0.18 1.69 4.64 -1.26 -4.83 116.55 116.23 3d5d n ASP 72 Ca -0.38 -0.01 0.03 0.00 -1.38 0.00 0.00 54.79 53.05 3d5d n ASP 72 Cb 1.04 -1.54 0.30 0.00 -1.04 0.00 0.00 41.12 39.88 3d5d n ASP 72 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3d5d h VAL 73 N 7.34 1.13 -0.53 5.18 2.07 -2.00 -1.28 116.25 128.16 3d5d h VAL 73 Ca -0.34 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3d5d h VAL 73 Cb 1.26 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3d5d h VAL 73 CO 1.03 0.16 0.14 0.11 0.02 0.00 0.00 177.57 179.04 3d5d h LYS 74 N 0.89 0.81 0.29 1.57 1.57 -1.99 -0.77 116.57 118.94 3d5d h LYS 74 Ca 0.27 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3d5d h LYS 74 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3d5d h LYS 74 CO -0.07 0.72 -0.14 1.25 -0.57 0.00 0.00 179.45 180.64 3d5d h LEU 75 N 0.78 -0.33 -1.06 2.94 7.12 -1.64 -2.46 115.31 120.66 3d5d h LEU 75 Ca 0.18 -0.21 0.10 0.00 0.13 0.00 0.00 57.88 58.08 3d5d h LEU 75 Cb 0.27 0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.40 3d5d h LEU 75 CO -0.00 0.11 0.62 1.62 -0.13 0.00 0.00 178.44 180.66 3d5d h VAL 76 N -0.84 0.96 -0.71 1.05 3.04 -1.39 0.20 116.25 118.57 3d5d h VAL 76 Ca -0.04 -0.34 0.14 0.00 -1.01 0.00 0.00 66.70 65.44 3d5d h VAL 76 Cb 0.52 -0.13 -0.09 0.00 -2.01 0.00 0.00 31.29 29.57 3d5d h VAL 76 CO 0.06 0.18 0.24 -0.09 -1.01 0.00 0.00 177.57 176.95 3d5d h ARG 77 N 1.01 0.36 -0.75 4.17 2.43 -1.05 0.24 114.38 120.77 3d5d h ARG 77 Ca 0.47 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.59 3d5d h ARG 77 Cb 0.41 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3d5d h ARG 77 CO -0.23 0.24 0.39 -0.22 -1.51 0.00 0.00 179.97 178.64 3d5d h LYS 78 N 0.37 1.06 -0.84 0.20 3.64 -0.49 -2.81 116.57 117.72 3d5d h LYS 78 Ca 0.39 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3d5d h LYS 78 Cb 0.59 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3d5d h LYS 78 CO -0.41 0.80 0.53 1.25 -2.27 0.00 0.00 179.45 179.35 3d5d h LEU 79 N 1.06 0.98 -1.00 5.20 6.46 -0.40 0.22 115.31 127.83 3d5d h LEU 79 Ca 0.26 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3d5d h LEU 79 Cb 0.07 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 3d5d h LEU 79 CO -0.04 0.73 0.00 0.49 -0.62 0.00 0.00 178.44 179.00 3d5d n PHE 80 N -4.47 0.30 0.02 1.25 3.72 -0.88 -0.73 117.46 116.66 3d5d n PHE 80 Ca 0.09 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3d5d n PHE 80 Cb 0.03 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 3d5d n PHE 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3d5d n ASP 81 N 0.02 0.07 -0.08 4.37 8.00 -0.43 -4.91 116.55 123.58 3d5d n ASP 81 Ca 0.05 0.05 -0.18 0.00 0.71 0.00 0.00 54.79 55.43 3d5d n ASP 81 Cb 0.27 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 3d5d n ASP 81 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3d5d n GLU 82 N -2.86 0.37 0.45 -1.24 2.13 0.63 -4.59 120.64 115.53 3d5d n GLU 82 Ca 0.00 0.16 -0.19 0.00 0.66 0.00 0.00 57.16 57.79 3d5d n GLU 82 Cb 0.21 -1.12 -0.09 0.00 0.27 0.00 0.00 31.44 30.70 3d5d n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3d5d h ILE 83 N -0.63 0.16 0.53 6.31 1.08 -1.56 -2.87 117.51 120.53 3d5d h ILE 83 Ca -0.40 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 3d5d h ILE 83 Cb 1.32 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 3d5d h ILE 83 CO -0.24 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 176.90 3d5d h ALA 84 N -1.00 -0.80 -0.71 1.87 0.00 -1.20 -3.04 119.26 114.37 3d5d h ALA 84 Ca -0.12 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.75 3d5d h ALA 84 Cb 0.87 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3d5d h ALA 84 CO 0.19 -0.96 0.31 -1.35 0.00 0.00 0.00 179.25 177.44 3d5d h PRO 85 N -0.80 0.49 -1.02 0.00 0.11 -1.81 -0.37 132.00 128.60 3d5d h PRO 85 Ca -0.06 -0.03 0.27 0.00 0.11 0.00 0.00 66.00 66.28 3d5d h PRO 85 Cb 0.65 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.57 3d5d h PRO 85 CO 0.07 0.32 0.68 0.00 -0.21 0.00 0.00 178.00 178.86 3d5d h ARG 86 N 0.50 0.27 -0.52 1.05 3.08 -1.39 0.22 114.38 117.59 3d5d h ARG 86 Ca 0.37 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3d5d h ARG 86 Cb 0.48 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3d5d h ARG 86 CO -0.33 0.18 0.00 0.66 -1.07 0.00 0.00 179.97 179.41 3d5d n TYR 87 N -4.48 1.78 -1.60 3.04 4.01 -0.17 -4.98 117.16 114.77 3d5d n TYR 87 Ca 0.23 -0.74 -0.43 0.00 -0.16 0.00 0.00 57.90 56.80 3d5d n TYR 87 Cb 0.91 -0.44 -0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3d5d n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3d5d n ARG 88 N 0.46 1.37 -1.42 -0.72 3.00 0.75 -1.23 116.66 118.88 3d5d n ARG 88 Ca 0.26 0.48 -0.15 0.00 -0.00 0.00 0.00 57.85 58.45 3d5d n ARG 88 Cb 1.10 -1.94 -0.06 0.00 0.00 0.00 0.00 32.46 31.56 3d5d n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3d5d n ASP 89 N 0.91 -5.44 -3.07 6.15 8.00 -1.26 -4.84 116.55 116.99 3d5d n ASP 89 Ca 0.09 0.36 -0.33 0.00 0.71 0.00 0.00 54.79 55.62 3d5d n ASP 89 Cb 0.36 -4.35 -0.00 0.00 -0.02 0.00 0.00 41.12 37.10 3d5d n ASP 89 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3d5d n ARG 90 N -1.44 3.89 -1.67 -1.24 0.63 -0.36 -5.05 116.66 111.42 3d5d n ARG 90 Ca -0.15 -4.56 -0.48 0.00 -0.92 0.00 0.00 57.85 51.75 3d5d n ARG 90 Cb 0.61 -2.32 -0.05 0.00 0.45 0.00 0.00 32.46 31.16 3d5d n ARG 90 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3d5d n GLN 91 N -0.27 2.03 -0.62 -0.14 6.02 -1.26 -4.65 117.38 118.48 3d5d n GLN 91 Ca 0.41 0.73 0.07 0.00 -0.01 0.00 0.00 57.00 58.20 3d5d n GLN 91 Cb 0.37 -2.51 -0.04 0.00 1.02 0.00 0.00 30.24 29.08 3d5d n GLN 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d5d n GLY 92 N 3.64 -2.99 3.58 1.08 0.00 -1.26 -4.95 105.19 104.30 3d5d n GLY 92 Ca 0.19 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 3d5d n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5d n GLY 93 N -2.94 -1.21 0.17 -0.02 0.00 -1.26 -4.88 105.19 95.04 3d5d n GLY 93 Ca -0.04 0.53 0.13 0.00 0.00 0.00 0.00 46.02 46.63 3d5d n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d5d n TYR 94 N -2.81 0.00 -4.20 1.61 4.02 -1.26 -4.91 117.16 109.61 3d5d n TYR 94 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.59 3d5d n TYR 94 Cb 0.61 -0.16 -0.10 0.00 -0.02 0.00 0.00 39.34 39.67 3d5d n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3d5d s THR 95 N -2.64 0.26 -0.01 -0.72 -1.32 -1.26 -3.67 115.64 106.28 3d5d s THR 95 Ca 0.21 -1.96 0.05 0.00 -1.21 0.00 0.00 61.69 58.78 3d5d s THR 95 Cb 0.19 -2.26 -0.01 0.00 -1.51 0.00 0.00 72.50 68.91 3d5d s THR 95 CO 0.57 -0.29 -0.16 -0.60 -2.21 0.00 0.00 174.62 171.93 3d5d s ARG 96 N -4.05 1.27 -0.14 7.08 3.52 0.41 -4.76 118.95 122.29 3d5d s ARG 96 Ca 0.30 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 3d5d s ARG 96 Cb 0.07 -1.24 -0.00 0.00 -1.56 0.00 0.00 34.95 32.22 3d5d s ARG 96 CO 0.06 0.34 -0.19 0.14 -0.81 0.00 0.00 175.30 174.85 3d5d s VAL 97 N -0.41 2.43 -0.02 7.11 -7.23 -1.26 0.74 120.40 121.76 3d5d s VAL 97 Ca 0.06 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3d5d s VAL 97 Cb -0.06 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 3d5d s VAL 97 CO -0.00 0.53 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.45 3d5d s LEU 98 N 0.65 1.85 0.20 1.32 1.43 0.41 -4.96 118.68 119.58 3d5d s LEU 98 Ca -0.09 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 3d5d s LEU 98 Cb -0.16 -0.62 -0.08 0.00 0.03 0.00 0.00 46.19 45.36 3d5d s LEU 98 CO 0.02 0.09 1.17 -0.54 0.23 0.00 0.00 176.35 177.32 3d5d s LYS 99 N 0.07 4.53 0.08 1.70 -0.14 -1.26 0.00 119.74 124.72 3d5d s LYS 99 Ca -0.02 1.84 0.02 0.00 -1.36 0.00 0.00 55.97 56.45 3d5d s LYS 99 Cb -0.08 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 3d5d s LYS 99 CO 0.00 -0.02 0.15 -0.51 -0.76 0.00 0.00 175.35 174.22 3d5d s LEU 100 N -0.43 4.10 0.35 3.17 2.01 -1.06 -4.88 118.68 121.93 3d5d s LEU 100 Ca 0.51 0.13 0.24 0.00 0.01 0.00 0.00 54.13 55.02 3d5d s LEU 100 Cb -0.32 -2.73 0.42 0.00 0.01 0.00 0.00 46.19 43.57 3d5d s LEU 100 CO 0.37 0.16 1.58 0.00 1.01 0.00 0.00 176.35 179.48 3d5d h ALA 101 N 3.11 0.93 -2.31 4.21 0.00 -1.97 -3.42 119.26 119.81 3d5d h ALA 101 Ca -0.46 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.98 3d5d h ALA 101 Cb 1.16 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.12 3d5d h ALA 101 CO 0.71 0.00 0.20 -1.21 0.00 0.00 0.00 179.25 178.95 3d5d s GLU 102 N -3.20 0.69 -0.27 0.00 2.02 -1.26 -5.02 118.70 111.66 3d5d s GLU 102 Ca 0.07 0.79 -0.01 0.00 0.02 0.00 0.00 54.97 55.84 3d5d s GLU 102 Cb 0.08 -1.75 0.12 0.00 0.10 0.00 0.00 34.13 32.68 3d5d s GLU 102 CO 0.67 -2.62 0.27 1.03 0.02 0.00 0.00 175.26 174.62 3d5d s ARG 103 N -4.85 0.29 -0.46 1.61 0.52 -1.26 -3.89 118.95 110.90 3d5d s ARG 103 Ca 0.65 -0.10 -0.43 0.00 -0.52 0.00 0.00 55.73 55.33 3d5d s ARG 103 Cb -0.19 -0.80 -0.18 0.00 0.52 0.00 0.00 34.95 34.30 3d5d s ARG 103 CO 0.58 -0.95 1.56 -2.13 0.02 0.00 0.00 175.30 174.38 3d5d n ARG 104 N 5.31 0.00 -1.66 3.54 3.00 -0.45 -4.67 116.66 121.73 3d5d n ARG 104 Ca -0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.45 3d5d n ARG 104 Cb 0.47 -1.37 0.08 0.00 0.00 0.00 0.00 32.46 31.63 3d5d n ARG 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3d5d s ARG 105 N 3.26 2.42 0.00 -0.14 3.52 -1.26 -0.66 118.95 126.09 3d5d s ARG 105 Ca 0.99 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 58.62 3d5d s ARG 105 Cb -1.37 -1.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3d5d s ARG 105 CO 0.72 -1.69 0.00 0.41 -0.81 0.00 0.00 175.30 173.94 3d5d n GLY 106 N 0.85 2.23 0.08 8.12 0.00 -1.26 -4.46 105.19 110.75 3d5d n GLY 106 Ca 0.16 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.82 3d5d n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d5d n ASP 107 N 2.49 0.68 -2.57 1.61 3.85 -1.22 -5.01 116.55 116.38 3d5d n ASP 107 Ca 0.00 -0.84 -0.19 0.00 -0.71 0.00 0.00 54.79 53.05 3d5d n ASP 107 Cb 0.00 0.78 0.03 0.00 -1.35 0.00 0.00 41.12 40.58 3d5d n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d5d n GLY 108 N 1.04 -0.35 3.73 6.12 0.00 0.16 -4.95 105.19 110.94 3d5d n GLY 108 Ca 0.02 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3d5d n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5d s ALA 109 N -3.07 3.39 -0.63 4.61 0.00 -1.17 -4.75 121.76 120.13 3d5d s ALA 109 Ca 0.24 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 3d5d s ALA 109 Cb -0.11 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3d5d s ALA 109 CO 0.30 -0.31 1.28 -1.25 0.00 0.00 0.00 175.76 175.78 3d5d s PRO 110 N -0.06 3.34 0.99 0.00 0.04 -1.26 -1.34 135.00 136.72 3d5d s PRO 110 Ca 0.52 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 3d5d s PRO 110 Cb -0.30 -4.10 0.18 0.00 0.04 0.00 0.00 34.50 30.32 3d5d s PRO 110 CO 0.34 -1.92 1.13 -0.51 0.04 0.00 0.00 177.00 176.09 3d5d s LEU 111 N 5.52 1.69 0.00 -3.56 1.43 -1.25 -1.87 118.68 120.64 3d5d s LEU 111 Ca 0.42 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 3d5d s LEU 111 Cb -0.08 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.05 3d5d s LEU 111 CO 0.22 -3.02 0.00 0.00 0.23 0.00 0.00 176.35 173.77 3d5d n ALA 112 N -4.07 0.00 -3.71 4.21 0.00 0.15 -2.56 120.51 114.53 3d5d n ALA 112 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 3d5d n ALA 112 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 3d5d n ALA 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3d5d s LEU 113 N 0.00 0.22 -0.71 0.00 2.96 0.10 -3.39 118.68 117.85 3d5d s LEU 113 Ca 0.00 0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 3d5d s LEU 113 Cb 0.00 0.79 0.19 0.00 0.50 0.00 0.00 46.19 47.67 3d5d s LEU 113 CO 0.00 -0.18 0.61 -0.69 -1.32 0.00 0.00 176.35 174.77 3d5d s VAL 114 N 1.51 4.88 -0.12 1.68 1.01 -0.18 -0.45 120.40 128.73 3d5d s VAL 114 Ca -0.07 -2.49 -0.11 0.00 0.00 0.00 0.00 61.98 59.30 3d5d s VAL 114 Cb -0.11 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3d5d s VAL 114 CO -0.09 -0.95 0.25 -0.70 0.00 0.00 0.00 175.10 173.61 3d5d s GLU 115 N 0.30 3.92 -0.65 2.72 2.12 0.23 -3.09 118.70 124.24 3d5d s GLU 115 Ca 0.15 0.06 -0.27 0.00 0.36 0.00 0.00 54.97 55.27 3d5d s GLU 115 Cb -0.16 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.94 3d5d s GLU 115 CO -0.06 0.52 1.39 -0.51 -0.54 0.00 0.00 175.26 176.06 3d5d s LEU 116 N -0.36 3.29 0.38 2.70 1.43 -1.22 0.16 118.68 125.06 3d5d s LEU 116 Ca 0.17 -0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 3d5d s LEU 116 Cb -0.13 -2.79 -0.15 0.00 0.03 0.00 0.00 46.19 43.14 3d5d s LEU 116 CO 0.05 -1.82 0.24 0.55 0.23 0.00 0.00 176.35 175.60 3d5d n VAL 117 N 6.68 1.05 -0.78 -1.59 3.14 -1.24 -4.93 118.33 120.66 3d5d n VAL 117 Ca 0.09 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 3d5d n VAL 117 Cb 0.49 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 3d5d n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58