#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dna h ILE 3 N 0.00 0.99 -0.02 1.53 6.09 -1.96 -2.46 117.51 121.68 3dna h ILE 3 Ca 0.00 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3dna h ILE 3 Cb 0.00 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 37.44 3dna h ILE 3 CO 0.00 0.14 -0.00 -0.26 -3.07 0.00 0.00 178.15 174.96 3dna h PHE 4 N 0.77 0.04 0.00 2.19 0.04 -2.01 -0.74 116.94 117.23 3dna h PHE 4 Ca 0.35 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.11 3dna h PHE 4 Cb 0.35 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3dna h PHE 4 CO -0.00 0.35 0.00 0.39 -0.60 0.00 0.00 178.31 178.44 3dna n GLU 5 N -4.91 0.15 0.00 1.51 1.02 -0.93 -0.64 120.64 116.85 3dna n GLU 5 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3dna n GLU 5 Cb 0.18 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3dna n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dna n LEU 7 N 0.70 0.00 -0.32 -4.62 4.77 -0.28 -1.62 117.00 115.62 3dna n LEU 7 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3dna n LEU 7 Cb 0.06 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 3dna n LEU 7 CO 0.00 0.00 1.22 -0.09 -1.33 0.00 0.00 177.39 177.19 3dna h ARG 8 N 0.00 1.15 -0.03 3.23 9.65 -1.11 0.18 114.38 127.46 3dna h ARG 8 Ca 0.00 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3dna h ARG 8 Cb 0.00 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.33 3dna h ARG 8 CO 0.00 0.78 0.01 0.82 2.80 0.00 0.00 179.97 184.38 3dna h ILE 9 N 1.18 1.16 -0.14 1.20 2.04 -1.56 -1.48 117.51 119.91 3dna h ILE 9 Ca 0.31 -0.46 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 3dna h ILE 9 Cb -0.10 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3dna h ILE 9 CO -0.06 0.12 -0.47 0.44 0.00 0.00 0.00 178.15 178.18 3dna h ASP 10 N -0.14 0.37 0.14 1.72 3.32 -1.77 -3.31 116.42 116.77 3dna h ASP 10 Ca 0.01 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 3dna h ASP 10 Cb 0.19 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3dna h ASP 10 CO -0.00 0.79 -1.98 -0.62 -1.72 0.00 0.00 179.24 175.71 3dna n GLU 11 N -3.98 0.66 -0.09 3.56 -0.58 0.62 -5.08 120.64 115.75 3dna n GLU 11 Ca -0.02 -0.08 0.01 0.00 -0.42 0.00 0.00 57.16 56.65 3dna n GLU 11 Cb 0.53 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 29.83 3dna n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dna n GLY 12 N 1.40 -1.86 2.71 0.62 0.00 -0.56 -4.34 105.19 103.17 3dna n GLY 12 Ca -0.12 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 3dna n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dna s LEU 13 N 0.00 0.10 -0.04 0.99 2.96 -1.26 -4.23 118.68 117.19 3dna s LEU 13 Ca 0.00 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3dna s LEU 13 Cb 0.00 -0.04 0.02 0.00 0.50 0.00 0.00 46.19 46.67 3dna s LEU 13 CO 0.00 -0.25 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.60 3dna s ARG 14 N 2.20 0.85 0.00 1.98 0.52 -0.78 -5.01 118.95 118.71 3dna s ARG 14 Ca 0.04 -0.13 0.25 0.00 -0.52 0.00 0.00 55.73 55.37 3dna s ARG 14 Cb -0.12 -0.83 0.50 0.00 0.52 0.00 0.00 34.95 35.02 3dna s ARG 14 CO -0.04 -0.05 1.41 1.28 0.02 0.00 0.00 175.30 177.91 3dna n LEU 15 N 3.93 0.79 -4.54 2.53 4.77 -1.26 -0.24 117.00 122.98 3dna n LEU 15 Ca -0.25 -0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 3dna n LEU 15 Cb 0.51 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3dna n LEU 15 CO 0.24 0.17 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.48 3dna s LYS 16 N -2.81 1.99 0.07 3.23 1.02 -1.26 -0.94 119.74 121.04 3dna s LYS 16 Ca 0.16 -1.09 -0.35 0.00 0.02 0.00 0.00 55.97 54.70 3dna s LYS 16 Cb 0.18 -2.23 -0.15 0.00 -0.52 0.00 0.00 37.83 35.12 3dna s LYS 16 CO 0.65 0.49 1.55 -0.89 -0.92 0.00 0.00 175.35 176.23 3dna n ILE 17 N 0.71 0.09 -4.30 2.17 5.41 -0.75 -4.73 119.36 117.96 3dna n ILE 17 Ca -0.14 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.43 3dna n ILE 17 Cb 0.53 -1.31 -0.10 0.00 -0.71 0.00 0.00 39.64 38.05 3dna n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3dna s TYR 18 N 1.35 1.47 -0.13 1.39 1.13 0.03 -4.95 117.35 117.64 3dna s TYR 18 Ca 0.84 -1.08 -0.12 0.00 -1.41 0.00 0.00 57.07 55.29 3dna s TYR 18 Cb -0.81 -0.86 -0.05 0.00 -1.10 0.00 0.00 41.96 39.15 3dna s TYR 18 CO 0.45 -0.24 0.27 0.15 -2.51 0.00 0.00 175.55 173.67 3dna s LYS 19 N -3.97 4.03 0.20 -3.49 1.02 -1.26 0.37 119.74 116.64 3dna s LYS 19 Ca 0.32 0.08 -0.03 0.00 0.02 0.00 0.00 55.97 56.37 3dna s LYS 19 Cb 0.07 -3.34 0.05 0.00 -0.52 0.00 0.00 37.83 34.09 3dna s LYS 19 CO 0.10 0.43 0.22 -0.40 -0.92 0.00 0.00 175.35 174.78 3dna n ASP 20 N 2.94 -0.57 0.29 2.83 5.68 0.77 -4.78 116.55 123.72 3dna n ASP 20 Ca -0.14 -0.86 0.16 0.00 -0.50 0.00 0.00 54.79 53.44 3dna n ASP 20 Cb 0.53 -0.18 0.90 0.00 -1.14 0.00 0.00 41.12 41.23 3dna n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dna h THR 21 N -1.42 0.45 -0.02 2.12 1.35 -1.99 -0.89 112.91 112.51 3dna h THR 21 Ca -0.08 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3dna h THR 21 Cb 0.22 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3dna h THR 21 CO 0.05 0.03 -0.08 -0.62 -0.25 0.00 0.00 175.52 174.66 3dna n GLU 22 N -3.66 1.70 -0.58 4.72 -0.58 -1.26 -4.94 120.64 116.04 3dna n GLU 22 Ca -0.03 -1.18 0.00 0.00 -0.42 0.00 0.00 57.16 55.54 3dna n GLU 22 Cb 0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3dna n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dna n GLY 23 N 1.27 0.66 3.81 0.62 0.00 -0.34 -5.07 105.19 106.15 3dna n GLY 23 Ca 0.16 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3dna n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dna s TYR 24 N -2.00 3.49 0.20 1.61 2.02 -1.26 -4.71 117.35 116.70 3dna s TYR 24 Ca 0.00 0.42 -0.32 0.00 -0.37 0.00 0.00 57.07 56.80 3dna s TYR 24 Cb 0.00 -1.96 -0.12 0.00 -0.40 0.00 0.00 41.96 39.48 3dna s TYR 24 CO 0.00 0.60 1.73 0.66 -1.57 0.00 0.00 175.55 176.97 3dna n TYR 25 N 2.33 2.74 -3.87 2.71 4.01 -1.22 -0.16 117.16 123.69 3dna n TYR 25 Ca -0.19 0.04 -0.09 0.00 -0.16 0.00 0.00 57.90 57.49 3dna n TYR 25 Cb 0.54 -2.68 -0.08 0.00 -0.31 0.00 0.00 39.34 36.82 3dna n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dna s THR 26 N 1.22 0.14 0.13 -0.72 2.01 0.16 -0.72 115.64 117.86 3dna s THR 26 Ca 0.75 -1.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 3dna s THR 26 Cb -0.51 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 3dna s THR 26 CO 0.32 -0.63 0.23 -0.51 -0.69 0.00 0.00 174.62 173.34 3dna s ILE 27 N -3.54 0.10 0.00 1.82 2.07 -0.31 -0.79 121.20 120.56 3dna s ILE 27 Ca 0.02 -1.34 0.00 0.00 -1.41 0.00 0.00 60.65 57.93 3dna s ILE 27 Cb 0.04 -1.65 0.00 0.00 0.13 0.00 0.00 42.46 40.98 3dna s ILE 27 CO -0.09 -0.45 0.00 0.61 -1.91 0.00 0.00 174.94 173.10 3dna n GLY 28 N -0.14 2.26 3.05 1.50 0.00 0.67 -0.89 105.19 111.64 3dna n GLY 28 Ca -0.10 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3dna n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dna n ILE 29 N 0.00 4.75 -2.77 -0.61 5.41 -1.26 -1.86 119.36 123.02 3dna n ILE 29 Ca 0.00 -5.68 -0.18 0.00 1.00 0.00 0.00 62.75 57.88 3dna n ILE 29 Cb 0.00 -2.23 0.02 0.00 -0.71 0.00 0.00 39.64 36.72 3dna n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dna n GLY 30 N 1.70 -0.31 3.50 7.39 0.00 -1.23 -4.88 105.19 111.36 3dna n GLY 30 Ca 0.25 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3dna n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dna s HIS 31 N -3.02 2.62 0.14 1.61 5.04 -0.07 -4.92 115.29 116.68 3dna s HIS 31 Ca 0.20 -0.20 -0.31 0.00 -1.54 0.00 0.00 55.06 53.20 3dna s HIS 31 Cb -0.09 -4.31 -0.10 0.00 0.04 0.00 0.00 32.58 28.13 3dna s HIS 31 CO 0.25 -1.64 1.62 -1.17 -2.34 0.00 0.00 174.74 171.46 3dna s LEU 32 N 4.44 4.37 -0.21 8.88 2.96 -1.26 -1.16 118.68 136.69 3dna s LEU 32 Ca 0.29 2.61 -0.21 0.00 -0.22 0.00 0.00 54.13 56.60 3dna s LEU 32 Cb -0.13 -3.58 -0.18 0.00 0.50 0.00 0.00 46.19 42.80 3dna s LEU 32 CO 0.15 -0.87 0.16 0.18 -1.32 0.00 0.00 176.35 174.66 3dna n LEU 33 N 4.57 1.86 -3.50 -0.68 4.77 0.10 -4.94 117.00 119.19 3dna n LEU 33 Ca 0.15 0.42 -0.10 0.00 -0.03 0.00 0.00 56.01 56.45 3dna n LEU 33 Cb 0.39 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 3dna n LEU 33 CO 0.62 0.28 0.63 0.28 -1.33 0.00 0.00 177.39 177.87 3dna s THR 34 N -2.37 0.00 -1.98 -5.08 -1.32 -1.19 -4.90 115.64 98.79 3dna s THR 34 Ca -0.29 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.45 3dna s THR 34 Cb 0.06 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.33 3dna s THR 34 CO 0.58 0.00 1.52 0.29 -2.21 0.00 0.00 174.62 174.80 3dna n LYS 35 N -0.09 1.10 -2.05 7.08 5.02 -1.26 -3.46 118.16 124.50 3dna n LYS 35 Ca -0.11 -0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 55.06 3dna n LYS 35 Cb 0.62 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 3dna n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dna s SER 36 N -2.39 6.69 0.00 4.39 0.15 -1.26 -4.91 113.70 116.38 3dna s SER 36 Ca 0.26 2.67 0.14 0.00 0.70 0.00 0.00 55.95 59.72 3dna s SER 36 Cb 0.19 -2.63 0.70 0.00 -1.71 0.00 0.00 66.02 62.58 3dna s SER 36 CO 0.48 -0.65 1.40 -0.81 1.20 0.00 0.00 173.24 174.86 3dna n PRO 37 N 1.91 0.18 -2.78 5.44 -0.04 -1.26 -4.71 135.00 133.74 3dna n PRO 37 Ca 0.05 0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 3dna n PRO 37 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 3dna n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dna s SER 38 N -2.63 6.77 0.33 3.54 0.15 -1.26 -4.92 113.70 115.68 3dna s SER 38 Ca 0.13 0.78 0.02 0.00 0.70 0.00 0.00 55.95 57.57 3dna s SER 38 Cb 0.10 -2.48 0.56 0.00 -1.71 0.00 0.00 66.02 62.48 3dna s SER 38 CO 0.22 -0.80 1.93 0.25 1.20 0.00 0.00 173.24 176.04 3dna h LEU 39 N 9.91 0.70 -0.87 3.45 5.85 -2.00 -1.99 115.31 130.36 3dna h LEU 39 Ca -0.22 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3dna h LEU 39 Cb 1.08 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 3dna h LEU 39 CO 0.97 0.61 0.40 0.78 -0.34 0.00 0.00 178.44 180.86 3dna h ASN 40 N 0.77 1.11 -0.81 1.25 2.35 -1.97 0.10 115.58 118.38 3dna h ASN 40 Ca 0.19 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3dna h ASN 40 Cb 0.11 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3dna h ASN 40 CO -0.02 0.94 0.40 0.00 -1.65 0.00 0.00 177.43 177.09 3dna h ALA 41 N 1.23 1.04 -0.32 -0.83 0.00 -1.82 -1.32 119.26 117.24 3dna h ALA 41 Ca 0.29 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dna h ALA 41 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3dna h ALA 41 CO -0.04 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.82 3dna h ALA 42 N 1.21 0.44 -0.75 0.00 0.00 -0.89 -1.69 119.26 117.58 3dna h ALA 42 Ca 0.28 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dna h ALA 42 Cb 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3dna h ALA 42 CO -0.04 0.18 0.49 0.87 0.00 0.00 0.00 179.25 180.76 3dna h LYS 43 N 0.37 0.95 -0.14 0.00 1.57 -0.63 0.03 116.57 118.73 3dna h LYS 43 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3dna h LYS 43 Cb 0.42 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3dna h LYS 43 CO 0.01 0.63 0.03 1.03 -0.57 0.00 0.00 179.45 180.59 3dna h SER 44 N 0.98 0.21 -0.94 0.86 0.87 -1.03 -0.81 113.55 113.70 3dna h SER 44 Ca 0.28 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3dna h SER 44 Cb -0.06 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 3dna h SER 44 CO -0.07 0.39 0.61 -0.33 -0.53 0.00 0.00 176.83 176.90 3dna h GLU 45 N 0.03 1.14 0.04 2.24 4.39 -0.85 -0.31 114.58 121.27 3dna h GLU 45 Ca 0.04 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3dna h GLU 45 Cb 0.26 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3dna h GLU 45 CO 0.00 0.76 -0.02 1.25 -1.16 0.00 0.00 179.01 179.84 3dna h LEU 46 N 1.18 -0.04 -0.75 1.33 5.85 -0.78 0.35 115.31 122.44 3dna h LEU 46 Ca 0.38 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.11 3dna h LEU 46 Cb 0.02 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3dna h LEU 46 CO -0.13 0.05 0.41 0.44 -0.34 0.00 0.00 178.44 178.87 3dna h ASP 47 N -0.13 0.58 -0.73 1.25 3.32 -0.82 -0.56 116.42 119.33 3dna h ASP 47 Ca -0.01 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3dna h ASP 47 Cb 0.12 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3dna h ASP 47 CO 0.01 0.34 0.39 0.50 -1.72 0.00 0.00 179.24 178.77 3dna h LYS 48 N 0.71 1.02 -0.39 3.56 3.64 -0.75 0.16 116.57 124.52 3dna h LYS 48 Ca 0.36 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 3dna h LYS 48 Cb 0.32 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3dna h LYS 48 CO -0.24 0.76 -0.18 0.00 -2.27 0.00 0.00 179.45 177.53 3dna h ALA 49 N 1.20 0.95 0.00 5.00 0.00 0.02 -3.31 119.26 123.11 3dna h ALA 49 Ca 0.26 -0.35 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 3dna h ALA 49 Cb 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3dna h ALA 49 CO -0.04 0.61 -1.89 -0.89 0.00 0.00 0.00 179.25 177.04 3dna n ILE 50 N -4.13 1.49 -0.43 0.00 2.08 -0.31 -5.00 119.36 113.06 3dna n ILE 50 Ca 0.01 -0.80 0.00 0.00 0.56 0.00 0.00 62.75 62.51 3dna n ILE 50 Cb 0.40 -0.83 0.00 0.00 -0.75 0.00 0.00 39.64 38.47 3dna n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dna n GLY 51 N 1.60 0.74 3.55 7.39 0.00 0.56 -5.07 105.19 113.96 3dna n GLY 51 Ca -0.21 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3dna n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dna s ARG 52 N -0.80 1.45 -0.61 1.61 1.70 -1.17 -5.05 118.95 116.08 3dna s ARG 52 Ca 0.00 -1.09 -0.28 0.00 -0.47 0.00 0.00 55.73 53.90 3dna s ARG 52 Cb 0.00 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 3dna s ARG 52 CO 0.00 -0.60 1.33 1.21 -1.08 0.00 0.00 175.30 176.15 3dna s ASN 53 N -2.95 6.21 0.07 -2.89 3.84 -1.26 -4.38 114.94 113.59 3dna s ASN 53 Ca 0.16 0.07 0.18 0.00 0.21 0.00 0.00 52.86 53.48 3dna s ASN 53 Cb -0.01 -2.55 -0.12 0.00 -0.55 0.00 0.00 41.25 38.02 3dna s ASN 53 CO 0.03 -1.68 0.83 0.35 -2.79 0.00 0.00 177.10 173.84 3dna n THR 54 N 6.71 1.06 -3.43 -5.21 -2.24 -1.26 -4.97 114.28 104.94 3dna n THR 54 Ca 0.09 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 60.96 3dna n THR 54 Cb 0.49 -0.64 0.03 0.00 -2.10 0.00 0.00 70.33 68.11 3dna n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dna n ASN 55 N -2.83 -5.10 0.00 3.42 5.15 -1.26 -2.70 115.26 111.93 3dna n ASN 55 Ca -0.09 -0.48 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 3dna n ASN 55 Cb 0.79 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 3dna n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dna n GLY 56 N -1.52 0.61 3.06 8.20 0.00 -1.26 -5.02 105.19 109.26 3dna n GLY 56 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 3dna n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dna s VAL 57 N -2.40 0.99 0.29 1.61 1.01 -1.10 -1.81 120.40 118.98 3dna s VAL 57 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3dna s VAL 57 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 3dna s VAL 57 CO 0.00 0.29 0.05 0.27 0.00 0.00 0.00 175.10 175.72 3dna s ILE 58 N -0.02 0.99 0.55 2.22 -4.36 -0.12 -4.76 121.20 115.70 3dna s ILE 58 Ca -0.00 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 3dna s ILE 58 Cb -0.08 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 41.00 3dna s ILE 58 CO 0.00 -0.07 0.80 0.42 0.24 0.00 0.00 174.94 176.33 3dna s THR 59 N -3.44 3.19 0.20 8.37 -4.23 -1.26 -4.77 115.64 113.69 3dna s THR 59 Ca 0.35 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 3dna s THR 59 Cb 0.08 -3.23 0.13 0.00 1.34 0.00 0.00 72.50 70.82 3dna s THR 59 CO 0.14 -0.18 1.85 0.50 -0.54 0.00 0.00 174.62 176.38 3dna h LYS 60 N 0.03 0.82 -0.54 3.99 3.64 -1.99 -0.64 116.57 121.88 3dna h LYS 60 Ca -0.44 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 3dna h LYS 60 Cb 1.28 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 3dna h LYS 60 CO 0.56 0.54 0.33 -0.44 -2.27 0.00 0.00 179.45 178.17 3dna h ASP 61 N 0.84 0.53 -0.54 4.20 5.19 -1.99 0.33 116.42 124.99 3dna h ASP 61 Ca 0.26 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 3dna h ASP 61 Cb -0.02 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 3dna h ASP 61 CO -0.09 0.38 0.25 -0.33 -3.12 0.00 0.00 179.24 176.33 3dna h GLU 62 N 0.65 0.78 -0.51 3.56 5.08 -1.88 0.04 114.58 122.30 3dna h GLU 62 Ca 0.22 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3dna h GLU 62 Cb 0.02 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 3dna h GLU 62 CO -0.09 0.65 0.26 0.00 -1.00 0.00 0.00 179.01 178.82 3dna h ALA 63 N 1.09 0.66 -0.16 3.43 0.00 -0.64 -1.99 119.26 121.64 3dna h ALA 63 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3dna h ALA 63 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dna h ALA 63 CO -0.02 -0.09 -0.33 0.93 0.00 0.00 0.00 179.25 179.74 3dna h GLU 64 N 0.50 0.33 0.08 0.00 5.08 -0.56 -1.19 114.58 118.82 3dna h GLU 64 Ca 0.23 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3dna h GLU 64 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dna h GLU 64 CO -0.16 0.62 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.22 3dna h LYS 65 N 0.29 -0.10 -0.82 2.33 3.64 -0.62 0.54 116.57 121.83 3dna h LYS 65 Ca 0.04 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3dna h LYS 65 Cb 0.72 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 3dna h LYS 65 CO 0.05 0.04 0.50 -0.07 -2.27 0.00 0.00 179.45 177.71 3dna h LEU 66 N -0.23 0.77 -0.04 5.20 3.38 -1.22 -1.59 115.31 121.58 3dna h LEU 66 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dna h LEU 66 Cb 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dna h LEU 66 CO 0.02 0.49 0.02 0.15 0.09 0.00 0.00 178.44 179.20 3dna h PHE 67 N 0.90 0.03 -0.56 1.13 3.57 -0.92 0.20 116.94 121.28 3dna h PHE 67 Ca 0.36 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.95 3dna h PHE 67 Cb 0.20 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 3dna h PHE 67 CO -0.04 0.02 0.18 -0.91 -2.23 0.00 0.00 178.31 175.32 3dna h ASN 68 N 0.04 0.14 -0.54 0.41 2.35 -0.52 -0.18 115.58 117.26 3dna h ASN 68 Ca 0.02 0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3dna h ASN 68 Cb 0.01 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3dna h ASN 68 CO -0.02 0.09 0.14 1.56 -1.65 0.00 0.00 177.43 177.56 3dna h GLN 69 N 0.34 0.87 -0.46 0.81 4.20 -0.84 -1.75 115.11 118.27 3dna h GLN 69 Ca 0.28 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3dna h GLN 69 Cb 0.36 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3dna h GLN 69 CO -0.31 0.81 0.11 -0.44 -0.67 0.00 0.00 178.83 178.33 3dna h ASP 70 N 0.77 0.71 -0.11 1.46 3.32 0.08 0.65 116.42 123.29 3dna h ASP 70 Ca 0.17 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3dna h ASP 70 Cb 0.33 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3dna h ASP 70 CO 0.00 0.76 0.05 0.58 -1.72 0.00 0.00 179.24 178.90 3dna h VAL 71 N 0.62 1.14 -0.22 -1.35 2.07 -1.02 -0.58 116.25 116.91 3dna h VAL 71 Ca 0.15 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3dna h VAL 71 Cb 0.33 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3dna h VAL 71 CO 0.00 0.12 -0.15 -0.78 0.02 0.00 0.00 177.57 176.79 3dna h ASP 72 N 0.03 -0.48 -0.89 0.57 -0.00 -1.16 -1.38 116.42 113.10 3dna h ASP 72 Ca 0.04 0.10 -0.01 0.00 -0.00 0.00 0.00 57.03 57.16 3dna h ASP 72 Cb 0.15 0.25 -0.04 0.00 -0.00 0.00 0.00 39.33 39.69 3dna h ASP 72 CO -0.00 -0.19 0.51 0.00 -0.00 0.00 0.00 179.24 179.56 3dna h ALA 73 N 1.01 1.22 0.17 -0.78 0.00 -0.76 -0.86 119.26 119.26 3dna h ALA 73 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dna h ALA 73 Cb 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dna h ALA 73 CO -0.31 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.51 3dna h ALA 74 N 1.32 -0.22 -0.35 0.00 0.00 -0.52 0.84 119.26 120.33 3dna h ALA 74 Ca 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3dna h ALA 74 Cb -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dna h ALA 74 CO -0.06 -0.62 0.12 0.28 0.00 0.00 0.00 179.25 178.98 3dna h VAL 75 N -0.24 1.20 -0.82 0.00 2.07 -1.09 -2.22 116.25 115.16 3dna h VAL 75 Ca -0.02 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3dna h VAL 75 Cb 0.18 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3dna h VAL 75 CO 0.04 0.23 0.53 0.03 0.02 0.00 0.00 177.57 178.41 3dna h ARG 76 N 0.42 1.01 -0.71 1.57 2.47 -1.05 -1.84 114.38 116.25 3dna h ARG 76 Ca 0.12 -0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.84 3dna h ARG 76 Cb 0.24 -0.23 -0.06 0.00 -1.65 0.00 0.00 29.97 28.27 3dna h ARG 76 CO -0.01 0.67 0.41 0.78 0.56 0.00 0.00 179.97 182.38 3dna h GLY 77 N 1.04 1.05 0.87 0.04 0.00 -0.62 -0.65 103.07 104.80 3dna h GLY 77 Ca 0.32 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.38 3dna h GLY 77 CO -0.10 0.18 0.05 -2.22 0.00 0.00 0.00 176.54 174.45 3dna h ILE 78 N 0.75 0.96 0.00 2.60 2.04 -0.74 -2.08 117.51 121.05 3dna h ILE 78 Ca 0.32 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 66.07 3dna h ILE 78 Cb 0.19 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3dna h ILE 78 CO -0.18 0.02 -0.29 -0.07 0.00 0.00 0.00 178.15 177.63 3dna h LEU 79 N 0.12 0.00 -0.05 1.44 3.38 -0.97 -1.83 115.31 117.40 3dna h LEU 79 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dna h LEU 79 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3dna h LEU 79 CO -0.07 0.29 0.00 -0.09 0.09 0.00 0.00 178.44 178.66 3dna h ARG 80 N 0.00 0.00 -5.39 1.13 2.43 -0.86 -3.44 114.38 108.24 3dna h ARG 80 Ca -0.00 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.55 3dna h ARG 80 Cb 0.64 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.06 3dna h ARG 80 CO 0.04 0.00 0.04 1.21 -1.51 0.00 0.00 179.97 179.74 3dna s ASN 81 N -4.80 6.45 0.45 -3.80 3.84 -0.70 -4.96 114.94 111.42 3dna s ASN 81 Ca 0.10 0.48 0.13 0.00 0.21 0.00 0.00 52.86 53.78 3dna s ASN 81 Cb 0.11 -2.30 1.02 0.00 -0.55 0.00 0.00 41.25 39.53 3dna s ASN 81 CO 0.60 -0.35 2.03 0.00 -2.79 0.00 0.00 177.10 176.59 3dna h ALA 82 N 8.07 1.75 0.20 1.71 0.00 -1.85 0.38 119.26 129.52 3dna h ALA 82 Ca -0.28 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.18 3dna h ALA 82 Cb 1.13 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.89 3dna h ALA 82 CO 0.74 0.19 -1.66 0.87 0.00 0.00 0.00 179.25 179.40 3dna h LYS 83 N 0.12 0.42 0.10 0.00 1.57 -1.93 -3.39 116.57 113.47 3dna h LYS 83 Ca 0.03 -0.72 -0.27 0.00 -1.87 0.00 0.00 60.65 57.82 3dna h LYS 83 Cb 0.18 0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.77 3dna h LYS 83 CO 0.01 1.33 -1.17 -0.07 -0.57 0.00 0.00 179.45 178.99 3dna h LEU 84 N 0.11 0.56 -0.36 2.94 3.38 -1.74 -3.37 115.31 116.84 3dna h LEU 84 Ca -0.31 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.19 3dna h LEU 84 Cb 2.11 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.62 3dna h LEU 84 CO 0.20 1.38 -0.04 0.50 0.09 0.00 0.00 178.44 180.57 3dna h LYS 85 N 0.16 0.05 -0.56 1.13 3.64 -0.82 -0.78 116.57 119.38 3dna h LYS 85 Ca -0.14 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3dna h LYS 85 Cb 1.85 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.64 3dna h LYS 85 CO 0.20 0.03 0.20 -1.35 -2.27 0.00 0.00 179.45 176.26 3dna h PRO 86 N 0.05 0.82 -0.17 1.90 0.11 -1.77 0.65 132.00 133.60 3dna h PRO 86 Ca 0.17 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3dna h PRO 86 Cb 0.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3dna h PRO 86 CO -0.33 0.70 -0.00 0.28 -0.21 0.00 0.00 178.00 178.44 3dna h VAL 87 N 0.81 1.26 -0.19 3.15 2.07 -1.60 -2.02 116.25 119.72 3dna h VAL 87 Ca 0.19 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3dna h VAL 87 Cb 0.20 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3dna h VAL 87 CO -0.01 0.26 -0.04 0.22 0.02 0.00 0.00 177.57 178.01 3dna h TYR 88 N 0.04 -0.08 0.00 1.57 3.20 -0.82 -2.36 116.97 118.52 3dna h TYR 88 Ca 0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3dna h TYR 88 Cb 0.38 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3dna h TYR 88 CO 0.04 -0.07 -0.08 -0.44 -1.64 0.00 0.00 178.16 175.97 3dna h ASP 89 N 0.01 0.00 1.25 -2.11 3.32 -0.83 -1.52 116.42 116.54 3dna h ASP 89 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dna h ASP 89 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3dna h ASP 89 CO -0.18 0.08 0.00 0.77 -1.72 0.00 0.00 179.24 178.18 3dna h SER 90 N 0.00 0.00 -3.64 6.45 4.64 -0.82 -3.46 113.55 116.72 3dna h SER 90 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3dna h SER 90 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3dna h SER 90 CO 0.01 0.00 0.08 -0.76 -0.87 0.00 0.00 176.83 175.29 3dna s LEU 91 N -5.61 3.89 0.89 5.97 1.43 -0.57 -5.06 118.68 119.63 3dna s LEU 91 Ca 0.04 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 3dna s LEU 91 Cb 0.09 -3.96 0.13 0.00 0.03 0.00 0.00 46.19 42.47 3dna s LEU 91 CO 0.55 -0.34 1.12 1.51 0.23 0.00 0.00 176.35 179.41 3dna s ASP 92 N -3.02 3.62 0.34 2.29 -4.77 -1.26 -4.82 116.67 109.05 3dna s ASP 92 Ca 0.51 1.12 0.04 0.00 -3.30 0.00 0.00 52.55 50.91 3dna s ASP 92 Cb -0.10 -1.76 0.63 0.00 -1.09 0.00 0.00 42.92 40.60 3dna s ASP 92 CO 0.29 -2.50 1.93 0.00 0.70 0.00 0.00 175.17 175.59 3dna h ALA 93 N -1.46 1.44 -0.07 2.11 0.00 -1.98 -0.45 119.26 118.86 3dna h ALA 93 Ca -0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3dna h ALA 93 Cb 1.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dna h ALA 93 CO 0.60 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 180.53 3dna h VAL 94 N 0.63 1.30 0.00 0.00 2.07 -1.94 -2.56 116.25 115.75 3dna h VAL 94 Ca 0.15 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 3dna h VAL 94 Cb 0.17 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3dna h VAL 94 CO -0.01 0.26 -0.37 0.03 0.02 0.00 0.00 177.57 177.50 3dna h ARG 95 N -0.21 0.00 -0.95 1.57 3.08 -1.77 -1.87 114.38 114.23 3dna h ARG 95 Ca 0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3dna h ARG 95 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 3dna h ARG 95 CO 0.01 0.37 0.63 0.00 -1.07 0.00 0.00 179.97 179.91 3dna h ARG 96 N 0.00 1.19 -0.64 0.04 3.08 -0.99 -0.48 114.38 116.58 3dna h ARG 96 Ca -0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3dna h ARG 96 Cb 0.69 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3dna h ARG 96 CO 0.05 0.79 0.31 0.00 -1.07 0.00 0.00 179.97 180.05 3dna h ALA 97 N 1.43 0.82 -0.95 0.04 0.00 -0.92 -0.91 119.26 118.77 3dna h ALA 97 Ca 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3dna h ALA 97 Cb -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3dna h ALA 97 CO -0.11 0.38 0.58 0.00 0.00 0.00 0.00 179.25 180.11 3dna h ALA 98 N 1.14 1.24 -0.36 0.00 0.00 -1.03 -0.39 119.26 119.86 3dna h ALA 98 Ca 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dna h ALA 98 Cb 0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dna h ALA 98 CO -0.03 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.11 3dna h ALA 99 N 1.33 0.45 -0.60 0.00 0.00 -0.63 -2.87 119.26 116.94 3dna h ALA 99 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3dna h ALA 99 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3dna h ALA 99 CO -0.07 -0.10 0.28 0.82 0.00 0.00 0.00 179.25 180.18 3dna h ILE 100 N 0.47 1.22 0.00 0.00 2.04 -0.67 -2.18 117.51 118.39 3dna h ILE 100 Ca 0.13 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3dna h ILE 100 Cb -0.04 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3dna h ILE 100 CO -0.04 0.25 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 3dna n ASN 101 N -4.51 0.00 0.00 1.72 2.85 -0.20 -0.29 115.26 114.83 3dna n ASN 101 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 3dna n ASN 101 Cb 0.13 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.15 3dna n ASN 101 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3dna n VAL 103 N 0.11 0.00 -0.17 3.44 0.31 -0.82 -1.55 118.33 119.64 3dna n VAL 103 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3dna n VAL 103 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 3dna n VAL 103 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3dna h PHE 104 N 0.00 0.49 0.00 3.52 3.04 -0.92 0.30 116.94 123.37 3dna h PHE 104 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3dna h PHE 104 Cb 0.00 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.37 3dna h PHE 104 CO 0.00 0.24 0.00 0.94 -2.02 0.00 0.00 178.31 177.47 3dna n GLN 105 N -4.88 0.56 -3.66 1.11 7.27 -0.60 -5.06 117.38 112.12 3dna n GLN 105 Ca 0.05 0.03 -0.08 0.00 0.07 0.00 0.00 57.00 57.07 3dna n GLN 105 Cb 0.14 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.27 3dna n GLN 105 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3dna s GLY 107 N -2.20 -0.32 0.51 1.69 0.00 0.11 -5.11 107.32 102.00 3dna s GLY 107 Ca 0.29 0.22 0.19 0.00 0.00 0.00 0.00 44.72 45.41 3dna s GLY 107 CO 0.28 0.07 2.12 0.83 0.00 0.00 0.00 173.10 176.39 3dna h GLU 108 N 2.00 0.00 -0.48 2.90 5.08 -1.99 -1.91 114.58 120.18 3dna h GLU 108 Ca -0.25 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 3dna h GLU 108 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3dna h GLU 108 CO 0.29 0.06 -0.17 1.15 -1.00 0.00 0.00 179.01 179.34 3dna h THR 109 N 0.00 1.27 -0.27 1.13 2.02 -2.00 -0.98 112.91 114.08 3dna h THR 109 Ca -0.00 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.78 3dna h THR 109 Cb 0.12 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3dna h THR 109 CO 0.01 0.45 -0.19 1.23 0.37 0.00 0.00 175.52 177.39 3dna h GLY 110 N 0.93 0.52 2.00 2.16 0.00 -1.83 -3.00 103.07 103.85 3dna h GLY 110 Ca 0.12 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 3dna h GLY 110 CO 0.06 0.36 -0.32 -2.08 0.00 0.00 0.00 176.54 174.56 3dna h VAL 111 N 0.44 0.71 -0.98 4.60 2.07 -0.92 -3.26 116.25 118.91 3dna h VAL 111 Ca 0.07 -1.44 0.23 0.00 0.82 0.00 0.00 66.70 66.38 3dna h VAL 111 Cb 0.58 1.94 -0.08 0.00 -1.52 0.00 0.00 31.29 32.20 3dna h VAL 111 CO 0.04 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.58 3dna h ALA 112 N 1.68 2.16 0.00 1.67 0.00 -1.04 0.65 119.26 124.38 3dna h ALA 112 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dna h ALA 112 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3dna h ALA 112 CO 0.04 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.20 3dna n GLY 113 N -1.48 -1.10 1.54 0.00 0.00 -1.23 -3.42 105.19 99.51 3dna n GLY 113 Ca 0.22 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3dna n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dna n PHE 114 N -1.34 1.50 -0.31 1.61 3.01 0.22 -4.64 117.46 117.51 3dna n PHE 114 Ca 0.09 -0.56 0.11 0.00 1.01 0.00 0.00 57.45 58.10 3dna n PHE 114 Cb 0.20 -0.30 0.24 0.00 -0.01 0.00 0.00 39.48 39.61 3dna n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3dna h THR 115 N 3.61 0.17 -0.44 4.37 2.02 -1.71 0.39 112.91 121.32 3dna h THR 115 Ca 0.00 -0.03 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 3dna h THR 115 Cb 1.48 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3dna h THR 115 CO 0.28 0.01 -0.24 0.78 0.37 0.00 0.00 175.52 176.73 3dna h ASN 116 N 0.07 0.93 -0.60 4.18 2.35 -1.92 -2.06 115.58 118.53 3dna h ASN 116 Ca 0.53 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 3dna h ASN 116 Cb 1.04 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 3dna h ASN 116 CO -0.80 1.12 0.23 0.28 -1.65 0.00 0.00 177.43 176.61 3dna h SER 117 N 0.78 0.83 -0.90 5.81 0.02 -1.44 -3.07 113.55 115.59 3dna h SER 117 Ca 0.10 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3dna h SER 117 Cb 0.79 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 3dna h SER 117 CO 0.07 0.78 0.60 -0.07 -1.14 0.00 0.00 176.83 177.07 3dna h LEU 118 N 0.84 1.02 -1.13 5.07 3.38 -0.78 -0.01 115.31 123.70 3dna h LEU 118 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dna h LEU 118 Cb 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3dna h LEU 118 CO -0.01 0.73 0.00 -1.14 0.09 0.00 0.00 178.44 178.11 3dna n ARG 119 N -4.47 0.08 0.00 1.13 0.63 -0.79 -0.94 116.66 112.30 3dna n ARG 119 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3dna n ARG 119 Cb 0.03 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 31.84 3dna n ARG 119 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3dna n LEU 121 N 0.52 0.00 0.06 6.15 4.77 -0.02 -1.37 117.00 127.12 3dna n LEU 121 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3dna n LEU 121 Cb 0.02 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.50 3dna n LEU 121 CO 0.00 0.00 0.99 -0.61 -1.33 0.00 0.00 177.39 176.44 3dna h GLN 122 N 0.00 0.39 0.00 3.23 4.15 -1.31 -1.18 115.11 120.39 3dna h GLN 122 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3dna h GLN 122 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3dna h GLN 122 CO 0.00 0.40 0.00 1.04 -1.93 0.00 0.00 178.83 178.34 3dna n GLN 123 N -4.35 0.06 -2.72 1.69 6.02 -0.47 -4.90 117.38 112.72 3dna n GLN 123 Ca 0.01 0.10 -0.21 0.00 -0.01 0.00 0.00 57.00 56.89 3dna n GLN 123 Cb 0.19 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.97 3dna n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dna n LYS 124 N -1.46 -3.27 -2.68 -1.09 5.02 -0.45 -4.92 118.16 109.31 3dna n LYS 124 Ca 0.06 0.94 -0.43 0.00 -2.02 0.00 0.00 58.31 56.86 3dna n LYS 124 Cb 0.25 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.56 3dna n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dna n ARG 125 N -3.51 3.46 -0.10 1.97 1.74 -1.26 -4.88 116.66 114.08 3dna n ARG 125 Ca -0.18 -3.69 -0.10 0.00 -0.77 0.00 0.00 57.85 53.12 3dna n ARG 125 Cb 0.65 -3.01 -0.02 0.00 -1.02 0.00 0.00 32.46 29.05 3dna n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dna h TRP 126 N 6.58 0.45 -0.46 -1.55 -0.00 -1.90 0.15 115.95 119.22 3dna h TRP 126 Ca 0.36 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.89 59.14 3dna h TRP 126 Cb 0.77 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.78 3dna h TRP 126 CO 1.18 0.43 -0.01 -0.44 -0.00 0.00 0.00 178.44 179.59 3dna h ASP 127 N 0.35 0.81 -0.32 -3.49 5.19 -1.90 -1.10 116.42 115.97 3dna h ASP 127 Ca 0.10 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3dna h ASP 127 Cb 0.16 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3dna h ASP 127 CO -0.01 0.93 0.14 -0.33 -3.12 0.00 0.00 179.24 176.85 3dna h GLU 128 N 0.67 0.47 -0.47 3.56 5.08 -1.94 -1.44 114.58 120.51 3dna h GLU 128 Ca 0.13 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3dna h GLU 128 Cb 0.52 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3dna h GLU 128 CO 0.03 0.45 0.14 0.00 -1.00 0.00 0.00 179.01 178.62 3dna h ALA 129 N 0.99 0.55 -0.34 3.43 0.00 -0.61 -0.17 119.26 123.12 3dna h ALA 129 Ca 0.11 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3dna h ALA 129 Cb 0.15 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3dna h ALA 129 CO -0.01 -0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.15 3dna h ALA 130 N 1.34 0.42 -0.42 0.00 0.00 -0.96 0.18 119.26 119.82 3dna h ALA 130 Ca 0.23 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3dna h ALA 130 Cb 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dna h ALA 130 CO -0.26 -0.20 0.26 0.28 0.00 0.00 0.00 179.25 179.33 3dna h VAL 131 N 0.36 1.08 -0.57 0.00 2.07 -0.84 -2.84 116.25 115.51 3dna h VAL 131 Ca 0.14 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3dna h VAL 131 Cb 0.04 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3dna h VAL 131 CO -0.09 0.10 -0.02 -1.13 0.02 0.00 0.00 177.57 176.45 3dna h ASN 132 N 0.54 0.99 -0.66 0.57 -0.73 -0.49 -2.88 115.58 112.91 3dna h ASN 132 Ca 0.16 -0.28 0.05 0.00 1.87 0.00 0.00 56.30 58.10 3dna h ASN 132 Cb -0.03 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.25 3dna h ASN 132 CO -0.05 1.05 0.44 -0.07 -0.37 0.00 0.00 177.43 178.43 3dna h LEU 133 N 0.92 0.63 -0.35 0.34 3.38 -0.48 -2.28 115.31 117.47 3dna h LEU 133 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dna h LEU 133 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dna h LEU 133 CO 0.03 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3dna n ALA 134 N -2.46 1.97 -2.05 1.53 0.00 -1.09 -4.03 120.51 114.39 3dna n ALA 134 Ca 0.09 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 3dna n ALA 134 Cb 0.19 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.21 3dna n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dna n LYS 135 N -2.26 3.54 -3.61 0.00 5.02 -0.86 -4.68 118.16 115.32 3dna n LYS 135 Ca 0.04 -3.17 -0.15 0.00 -2.02 0.00 0.00 58.31 53.01 3dna n LYS 135 Cb 0.33 -2.98 -0.07 0.00 -0.02 0.00 0.00 35.03 32.30 3dna n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dna s SER 136 N 1.53 -0.45 0.24 4.39 1.04 -1.26 -5.02 113.70 114.17 3dna s SER 136 Ca 0.46 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 57.21 3dna s SER 136 Cb 0.13 0.46 0.40 0.00 0.10 0.00 0.00 66.02 67.10 3dna s SER 136 CO -0.04 -0.59 1.80 -0.09 0.98 0.00 0.00 173.24 175.30 3dna h ARG 137 N 3.20 0.71 -0.45 4.02 2.43 -1.93 -2.48 114.38 119.89 3dna h ARG 137 Ca -0.29 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 3dna h ARG 137 Cb 1.17 -0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 30.46 3dna h ARG 137 CO 0.40 0.47 -0.36 2.35 -1.51 0.00 0.00 179.97 181.32 3dna h TRP 138 N 0.73 -1.01 -0.49 2.20 7.01 -1.95 0.14 115.95 122.58 3dna h TRP 138 Ca 0.39 0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.46 3dna h TRP 138 Cb 0.39 0.51 -0.02 0.00 -2.10 0.00 0.00 29.16 27.94 3dna h TRP 138 CO -0.07 -0.40 0.32 -0.92 -2.79 0.00 0.00 178.44 174.58 3dna h TYR 139 N -0.25 0.63 -0.26 2.65 3.20 -1.76 -0.56 116.97 120.62 3dna h TYR 139 Ca 0.18 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 3dna h TYR 139 Cb 0.55 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3dna h TYR 139 CO -0.59 0.40 -0.23 -0.91 -1.64 0.00 0.00 178.16 175.20 3dna h ASN 140 N 0.66 0.48 0.39 -2.11 4.21 -0.89 -1.10 115.58 117.22 3dna h ASN 140 Ca 0.18 -0.15 -0.32 0.00 1.21 0.00 0.00 56.30 57.22 3dna h ASN 140 Cb -0.06 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.02 3dna h ASN 140 CO -0.04 0.71 -1.54 1.56 -1.29 0.00 0.00 177.43 176.83 3dna h GLN 141 N 0.43 0.33 -2.13 0.81 1.08 -0.57 -3.39 115.11 111.67 3dna h GLN 141 Ca 0.07 -0.56 -0.57 0.00 -1.45 0.00 0.00 58.65 56.13 3dna h GLN 141 Cb 0.64 0.21 -0.41 0.00 -0.05 0.00 0.00 27.48 27.87 3dna h GLN 141 CO 0.05 1.22 -0.83 0.25 -0.95 0.00 0.00 178.83 178.57 3dna n THR 142 N -3.53 1.29 -0.28 -0.54 -2.24 -0.23 -4.97 114.28 103.77 3dna n THR 142 Ca -0.17 -4.86 -0.06 0.00 -2.27 0.00 0.00 64.05 56.69 3dna n THR 142 Cb 1.06 -1.68 0.06 0.00 -2.10 0.00 0.00 70.33 67.67 3dna n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3dna h PRO 143 N 3.74 1.11 -0.37 -0.78 0.13 -1.40 -0.05 132.00 134.38 3dna h PRO 143 Ca 0.14 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3dna h PRO 143 Cb 0.73 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3dna h PRO 143 CO 0.68 0.87 0.17 -0.91 -0.23 0.00 0.00 178.00 178.58 3dna h ASN 144 N 1.08 0.49 -0.32 1.44 4.21 -1.93 0.21 115.58 120.76 3dna h ASN 144 Ca 0.26 -0.14 -0.07 0.00 1.21 0.00 0.00 56.30 57.56 3dna h ASN 144 Cb 0.14 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 3dna h ASN 144 CO -0.03 0.49 -0.07 -0.09 -1.29 0.00 0.00 177.43 176.44 3dna h ARG 145 N 0.46 0.61 -0.71 0.81 2.43 -1.93 -2.67 114.38 113.38 3dna h ARG 145 Ca 0.13 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3dna h ARG 145 Cb 0.14 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3dna h ARG 145 CO -0.01 0.79 0.46 0.00 -1.51 0.00 0.00 179.97 179.70 3dna h ALA 146 N 0.80 0.91 -0.97 2.80 0.00 -0.76 -1.36 119.26 120.69 3dna h ALA 146 Ca 0.08 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3dna h ALA 146 Cb 0.56 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3dna h ALA 146 CO 0.03 0.27 0.63 0.87 0.00 0.00 0.00 179.25 181.05 3dna h LYS 147 N 0.91 1.17 -0.22 0.00 1.57 -0.51 0.27 116.57 119.76 3dna h LYS 147 Ca 0.27 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3dna h LYS 147 Cb -0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 3dna h LYS 147 CO -0.08 0.77 0.06 0.00 -0.57 0.00 0.00 179.45 179.63 3dna h ARG 148 N 1.20 0.35 -0.43 3.15 3.08 -1.01 -0.35 114.38 120.37 3dna h ARG 148 Ca 0.39 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 3dna h ARG 148 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3dna h ARG 148 CO -0.13 0.46 -0.02 0.28 -1.07 0.00 0.00 179.97 179.48 3dna h VAL 149 N 0.18 1.26 -0.53 2.04 2.07 -0.90 -1.95 116.25 118.42 3dna h VAL 149 Ca 0.07 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3dna h VAL 149 Cb 0.27 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3dna h VAL 149 CO 0.00 0.37 0.22 0.40 0.02 0.00 0.00 177.57 178.58 3dna h ILE 150 N 0.61 1.21 -0.94 4.57 2.04 -0.42 -1.04 117.51 123.54 3dna h ILE 150 Ca 0.12 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3dna h ILE 150 Cb 0.52 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3dna h ILE 150 CO 0.03 0.25 0.62 0.74 0.00 0.00 0.00 178.15 179.79 3dna h THR 151 N 0.72 1.21 -0.44 -0.27 2.02 -0.92 0.28 112.91 115.50 3dna h THR 151 Ca 0.18 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3dna h THR 151 Cb 0.18 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 3dna h THR 151 CO -0.02 0.23 0.24 0.74 0.37 0.00 0.00 175.52 177.08 3dna h THR 152 N 1.24 1.16 -0.46 3.16 2.02 -0.87 -0.24 112.91 118.92 3dna h THR 152 Ca 0.36 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3dna h THR 152 Cb -0.08 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3dna h THR 152 CO -0.09 0.17 0.01 -0.26 0.37 0.00 0.00 175.52 175.71 3dna h PHE 153 N 0.58 0.80 -0.37 3.16 0.04 -0.50 0.61 116.94 121.26 3dna h PHE 153 Ca 0.16 -0.11 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 3dna h PHE 153 Cb 0.05 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 3dna h PHE 153 CO -0.02 0.74 -0.39 -0.09 -0.60 0.00 0.00 178.31 177.95 3dna h ARG 154 N 0.71 0.92 0.00 1.51 2.43 -0.08 -3.38 114.38 116.50 3dna h ARG 154 Ca 0.14 -0.50 -0.18 0.00 -0.81 0.00 0.00 59.98 58.63 3dna h ARG 154 Cb 0.43 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3dna h ARG 154 CO 0.02 1.15 -1.95 0.25 -1.51 0.00 0.00 179.97 177.92 3dna n THR 155 N -4.07 0.68 -1.88 0.20 -2.24 -0.14 -4.73 114.28 102.11 3dna n THR 155 Ca -0.03 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 3dna n THR 155 Cb 0.55 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 3dna n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dna n GLY 156 N 1.87 0.52 3.46 3.38 0.00 0.20 -5.01 105.19 109.62 3dna n GLY 156 Ca -0.17 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 3dna n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dna s THR 157 N -2.61 1.42 -0.75 2.61 -4.23 -1.26 -4.81 115.64 106.02 3dna s THR 157 Ca 0.00 -2.04 0.12 0.00 -1.18 0.00 0.00 61.69 58.59 3dna s THR 157 Cb 0.00 -2.71 0.58 0.00 1.34 0.00 0.00 72.50 71.71 3dna s THR 157 CO 0.00 -0.10 1.42 0.79 -0.54 0.00 0.00 174.62 176.19 3dna n TRP 158 N -0.69 1.39 -0.25 3.99 7.02 -1.26 -4.47 117.44 123.16 3dna n TRP 158 Ca -0.04 -0.50 0.15 0.00 -1.02 0.00 0.00 57.50 56.09 3dna n TRP 158 Cb 0.66 -0.33 0.43 0.00 -2.42 0.00 0.00 31.31 29.65 3dna n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3dna h ASP 159 N 3.00 0.56 0.67 -0.99 3.32 -1.96 0.91 116.42 121.93 3dna h ASP 159 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3dna h ASP 159 Cb 1.43 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3dna h ASP 159 CO 0.29 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 178.07 3dna n ALA 160 N -2.46 1.69 0.00 3.45 0.00 -1.26 -3.40 120.51 118.53 3dna n ALA 160 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3dna n ALA 160 Cb 0.55 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 3dna n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dna n TYR 161 N -1.98 0.00 1.53 0.00 4.02 0.11 -4.94 117.16 115.90 3dna n TYR 161 Ca 0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.06 3dna n TYR 161 Cb 0.22 -0.01 0.55 0.00 -0.02 0.00 0.00 39.34 40.08 3dna n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02