#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 225l s ASN 2 N 0.00 0.97 0.23 6.12 2.20 -1.26 -5.03 114.94 118.17 225l s ASN 2 Ca 0.00 -1.51 -0.06 0.00 -0.94 0.00 0.00 52.86 50.35 225l s ASN 2 Cb 0.00 0.61 0.31 0.00 -2.00 0.00 0.00 41.25 40.17 225l s ASN 2 CO 0.00 -1.20 1.84 -0.29 -2.94 0.00 0.00 177.10 174.50 225l h ILE 3 N 2.16 1.01 -0.47 0.54 6.09 -1.98 0.62 117.51 125.48 225l h ILE 3 Ca -0.28 -0.30 -0.06 0.00 -1.37 0.00 0.00 64.86 62.85 225l h ILE 3 Cb 1.24 0.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.57 225l h ILE 3 CO 0.39 0.16 0.05 -0.26 -3.07 0.00 0.00 178.15 175.42 225l h PHE 4 N 0.87 0.86 -0.44 2.19 -1.00 -1.98 0.20 116.94 117.64 225l h PHE 4 Ca 0.35 -0.13 -0.09 0.00 2.81 0.00 0.00 57.97 60.91 225l h PHE 4 Cb 0.19 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 225l h PHE 4 CO -0.05 0.81 -0.08 0.93 -1.61 0.00 0.00 178.31 178.30 225l h GLU 5 N 0.66 0.77 0.29 1.51 5.08 -1.78 0.14 114.58 121.24 225l h GLU 5 Ca 0.14 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 225l h GLU 5 Cb 0.43 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.62 225l h GLU 5 CO 0.01 0.83 -0.14 1.98 -1.00 0.00 0.00 179.01 180.70 225l h MET 6 N 0.70 -0.38 -0.26 2.33 4.05 -0.61 -2.29 114.93 118.47 225l h MET 6 Ca 0.12 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 225l h MET 6 Cb 0.55 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 225l h MET 6 CO 0.03 -0.13 -0.13 -0.07 0.23 0.00 0.00 176.91 176.84 225l h LEU 7 N -0.57 0.42 -1.40 3.39 3.38 -0.49 -2.44 115.31 117.59 225l h LEU 7 Ca -0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 225l h LEU 7 Cb 0.42 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 225l h LEU 7 CO 0.07 0.58 0.14 -0.09 0.09 0.00 0.00 178.44 179.23 225l h ARG 8 N 0.40 0.55 -0.26 1.13 9.65 -0.56 -0.30 114.38 124.99 225l h ARG 8 Ca 0.08 -0.07 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 225l h ARG 8 Cb 0.48 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 225l h ARG 8 CO 0.03 0.46 -0.34 0.82 2.80 0.00 0.00 179.97 183.74 225l h ILE 9 N 0.54 1.31 -0.01 1.20 2.04 -0.98 -2.11 117.51 119.51 225l h ILE 9 Ca 0.13 -1.53 -0.14 0.00 1.00 0.00 0.00 64.86 64.32 225l h ILE 9 Cb 0.13 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 225l h ILE 9 CO -0.01 0.49 -0.66 0.44 0.00 0.00 0.00 178.15 178.40 225l h ASP 10 N 0.42 0.05 0.00 1.72 3.32 -1.10 -3.36 116.42 117.46 225l h ASP 10 Ca 0.03 -0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 225l h ASP 10 Cb 0.93 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 225l h ASP 10 CO 0.08 0.70 -2.06 -0.62 -1.72 0.00 0.00 179.24 175.62 225l n GLU 11 N -3.77 1.04 -0.12 3.56 -0.58 -0.15 -5.06 120.64 115.56 225l n GLU 11 Ca -0.01 -0.06 0.02 0.00 -0.42 0.00 0.00 57.16 56.69 225l n GLU 11 Cb 0.65 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 30.09 225l n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 225l n GLY 12 N 1.81 -2.09 2.67 0.62 0.00 -0.79 -4.41 105.19 103.00 225l n GLY 12 Ca -0.20 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 225l n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 225l s LEU 13 N 0.00 0.46 -0.09 0.99 2.96 -1.26 -4.16 118.68 117.58 225l s LEU 13 Ca 0.00 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 225l s LEU 13 Cb 0.00 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.40 225l s LEU 13 CO 0.00 -0.29 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.47 225l s ARG 14 N 2.08 2.06 0.00 1.98 0.52 -0.21 -4.99 118.95 120.38 225l s ARG 14 Ca 0.03 -0.51 0.28 0.00 -0.52 0.00 0.00 55.73 55.01 225l s ARG 14 Cb -0.14 -1.74 1.10 0.00 0.52 0.00 0.00 34.95 34.69 225l s ARG 14 CO -0.07 -0.03 1.77 1.28 0.02 0.00 0.00 175.30 178.27 225l n LEU 15 N 4.09 1.10 -4.20 2.53 4.77 -1.26 0.44 117.00 124.48 225l n LEU 15 Ca -0.20 -0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 55.22 225l n LEU 15 Cb 0.51 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 225l n LEU 15 CO 0.24 0.19 -0.49 -0.75 -1.33 0.00 0.00 177.39 175.25 225l s LYS 16 N -2.17 1.16 0.19 3.23 2.47 -1.26 -1.09 119.74 122.27 225l s LYS 16 Ca 0.35 -0.86 -0.32 0.00 -1.56 0.00 0.00 55.97 53.58 225l s LYS 16 Cb 0.21 -1.23 -0.15 0.00 -1.46 0.00 0.00 37.83 35.19 225l s LYS 16 CO 0.40 0.31 1.19 -0.89 0.16 0.00 0.00 175.35 176.51 225l n ILE 17 N 1.84 0.95 -4.04 5.43 5.41 -0.96 -4.74 119.36 123.25 225l n ILE 17 Ca -0.18 -0.24 -0.09 0.00 1.00 0.00 0.00 62.75 63.24 225l n ILE 17 Cb 0.54 -0.93 -0.08 0.00 -0.71 0.00 0.00 39.64 38.45 225l n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 225l s TYR 18 N -0.21 0.57 -0.17 1.39 1.13 0.81 -4.95 117.35 115.92 225l s TYR 18 Ca 0.72 -0.96 -0.15 0.00 -1.41 0.00 0.00 57.07 55.27 225l s TYR 18 Cb -0.82 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 39.74 225l s TYR 18 CO 0.52 -0.59 0.33 0.15 -2.51 0.00 0.00 175.55 173.45 225l s LYS 19 N -3.99 4.23 0.00 -3.49 1.02 -1.26 0.03 119.74 116.29 225l s LYS 19 Ca 0.18 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.30 225l s LYS 19 Cb 0.06 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 225l s LYS 19 CO -0.01 0.14 0.00 -0.40 -0.92 0.00 0.00 175.35 174.16 225l n ASP 20 N 3.89 -0.71 0.28 2.83 5.75 0.23 -4.80 116.55 124.02 225l n ASP 20 Ca -0.11 -0.40 0.18 0.00 -0.01 0.00 0.00 54.79 54.45 225l n ASP 20 Cb 0.52 0.00 0.77 0.00 -1.03 0.00 0.00 41.12 41.37 225l n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 225l h THR 21 N -1.22 0.00 -0.37 2.12 1.03 -1.98 -2.25 112.91 110.23 225l h THR 21 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 66.01 225l h THR 21 Cb 0.00 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 225l h THR 21 CO 0.00 0.00 0.00 -0.62 -0.01 0.00 0.00 175.52 174.89 225l n GLU 22 N -3.01 2.44 -0.68 0.00 -0.58 -1.26 -4.92 120.64 112.63 225l n GLU 22 Ca 0.00 -2.18 0.00 0.00 -0.42 0.00 0.00 57.16 54.56 225l n GLU 22 Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 225l n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 225l n GLY 23 N 1.48 0.59 3.86 0.62 0.00 -0.85 -5.06 105.19 105.83 225l n GLY 23 Ca 0.19 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 225l n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 225l s TYR 24 N -2.00 3.61 0.02 1.61 2.02 -1.26 -4.68 117.35 116.67 225l s TYR 24 Ca 0.00 0.81 -0.30 0.00 -0.37 0.00 0.00 57.07 57.20 225l s TYR 24 Cb 0.00 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.32 225l s TYR 24 CO 0.00 0.55 1.65 0.71 -1.57 0.00 0.00 175.55 176.89 225l s TYR 25 N -1.32 2.24 0.15 2.71 2.02 -1.19 0.76 117.35 122.72 225l s TYR 25 Ca 0.30 0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 57.28 225l s TYR 25 Cb -0.14 -3.93 -0.04 0.00 -0.40 0.00 0.00 41.96 37.44 225l s TYR 25 CO 0.17 -3.83 0.06 0.99 -1.57 0.00 0.00 175.55 171.37 225l s THR 26 N 3.21 0.18 0.17 -0.71 2.01 0.10 -0.06 115.64 120.55 225l s THR 26 Ca 0.74 -1.94 -0.16 0.00 0.31 0.00 0.00 61.69 60.64 225l s THR 26 Cb -0.37 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.01 225l s THR 26 CO 0.31 -0.37 0.46 -0.51 -0.69 0.00 0.00 174.62 173.82 225l s ILE 27 N -4.01 0.04 0.00 1.82 2.07 -0.86 -0.13 121.20 120.14 225l s ILE 27 Ca 0.27 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 225l s ILE 27 Cb 0.07 -1.51 0.00 0.00 0.13 0.00 0.00 42.46 41.15 225l s ILE 27 CO 0.04 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.49 225l n GLY 28 N -0.29 2.21 2.98 1.50 0.00 0.17 -1.53 105.19 110.23 225l n GLY 28 Ca -0.11 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 225l n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 225l n ILE 29 N 0.00 4.16 -2.28 -0.61 5.41 -1.26 -1.05 119.36 123.73 225l n ILE 29 Ca 0.00 -5.53 -0.13 0.00 1.00 0.00 0.00 62.75 58.09 225l n ILE 29 Cb 0.00 -2.24 -0.00 0.00 -0.71 0.00 0.00 39.64 36.69 225l n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 225l n GLY 30 N 1.69 -0.14 3.49 7.39 0.00 -1.24 -4.90 105.19 111.47 225l n GLY 30 Ca 0.25 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 225l n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 225l s HIS 31 N -2.65 2.97 0.09 1.61 5.04 -0.58 -4.94 115.29 116.82 225l s HIS 31 Ca 0.02 -0.25 -0.31 0.00 -1.54 0.00 0.00 55.06 52.98 225l s HIS 31 Cb -0.01 -3.66 -0.08 0.00 0.04 0.00 0.00 32.58 28.87 225l s HIS 31 CO 0.02 -1.09 1.59 -1.17 -2.34 0.00 0.00 174.74 171.75 225l s LEU 32 N 3.09 4.36 -0.21 8.88 2.96 -1.26 -2.02 118.68 134.48 225l s LEU 32 Ca 0.22 2.46 -0.17 0.00 -0.22 0.00 0.00 54.13 56.42 225l s LEU 32 Cb -0.16 -3.57 -0.19 0.00 0.50 0.00 0.00 46.19 42.77 225l s LEU 32 CO 0.16 -0.84 0.13 0.18 -1.32 0.00 0.00 176.35 174.66 225l n LEU 33 N 5.12 2.03 -3.51 -0.68 4.77 0.91 -4.96 117.00 120.68 225l n LEU 33 Ca 0.15 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 225l n LEU 33 Cb 0.40 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 225l n LEU 33 CO 0.62 0.44 0.56 0.28 -1.33 0.00 0.00 177.39 177.95 225l s THR 34 N -2.42 0.00 -2.40 -5.08 -1.32 -1.14 -4.94 115.64 98.33 225l s THR 34 Ca -0.30 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.40 225l s THR 34 Cb 0.08 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.50 225l s THR 34 CO 0.60 0.00 1.45 0.29 -2.21 0.00 0.00 174.62 174.75 225l n LYS 35 N 0.38 2.21 -3.28 7.08 5.02 -1.26 -3.16 118.16 125.15 225l n LYS 35 Ca -0.15 -1.82 -0.38 0.00 -2.02 0.00 0.00 58.31 53.94 225l n LYS 35 Cb 0.60 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 225l n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 225l s SER 36 N -1.51 6.86 0.33 4.39 0.15 -1.26 -4.96 113.70 117.71 225l s SER 36 Ca 0.36 1.03 0.16 0.00 0.70 0.00 0.00 55.95 58.20 225l s SER 36 Cb 0.20 -2.32 0.87 0.00 -1.71 0.00 0.00 66.02 63.06 225l s SER 36 CO 0.29 0.10 1.42 1.55 1.20 0.00 0.00 173.24 177.81 225l h PRO 37 N 5.83 0.00 -5.70 5.44 0.13 -1.94 -3.43 132.00 132.34 225l h PRO 37 Ca -0.45 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 225l h PRO 37 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 225l h PRO 37 CO 0.70 0.00 0.15 0.45 -0.23 0.00 0.00 178.00 179.07 225l s SER 38 N -3.62 6.72 0.54 1.44 0.15 -1.26 -4.93 113.70 112.75 225l s SER 38 Ca -0.02 0.88 0.32 0.00 0.70 0.00 0.00 55.95 57.83 225l s SER 38 Cb 0.05 -2.36 1.50 0.00 -1.71 0.00 0.00 66.02 63.50 225l s SER 38 CO 0.15 -0.28 2.05 0.25 1.20 0.00 0.00 173.24 176.60 225l h LEU 39 N 8.19 0.00 -0.08 3.45 5.85 -1.99 -1.63 115.31 129.09 225l h LEU 39 Ca -0.31 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.21 225l h LEU 39 Cb 1.14 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.18 225l h LEU 39 CO 0.78 0.07 -0.71 0.78 -0.34 0.00 0.00 178.44 179.03 225l h ASN 40 N 0.00 0.76 -0.38 1.25 2.35 -1.95 1.00 115.58 118.61 225l h ASN 40 Ca -0.00 -0.68 -0.02 0.00 -0.55 0.00 0.00 56.30 55.05 225l h ASN 40 Cb 0.41 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 225l h ASN 40 CO 0.01 1.33 0.18 0.00 -1.65 0.00 0.00 177.43 177.29 225l h ALA 41 N 0.46 1.52 -0.12 -0.83 0.00 -1.77 0.15 119.26 118.67 225l h ALA 41 Ca -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 225l h ALA 41 Cb 1.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 225l h ALA 41 CO 0.14 0.38 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 225l h ALA 42 N 1.60 0.16 -0.50 0.00 0.00 -1.00 -1.02 119.26 118.51 225l h ALA 42 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 225l h ALA 42 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 225l h ALA 42 CO -0.02 -0.11 0.21 0.87 0.00 0.00 0.00 179.25 180.20 225l h LYS 43 N -0.09 0.71 0.22 0.00 1.57 -0.44 0.53 116.57 119.07 225l h LYS 43 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 225l h LYS 43 Cb 0.42 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.60 225l h LYS 43 CO 0.01 0.57 -0.10 1.03 -0.57 0.00 0.00 179.45 180.39 225l h SER 44 N 0.70 -0.25 -0.84 0.86 0.87 -0.41 -2.37 113.55 112.11 225l h SER 44 Ca 0.17 -0.18 0.15 0.00 -1.23 0.00 0.00 61.79 60.70 225l h SER 44 Cb 0.12 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 62.05 225l h SER 44 CO -0.02 0.05 0.42 -0.33 -0.53 0.00 0.00 176.83 176.42 225l h GLU 45 N -0.56 0.57 -0.38 2.24 4.39 -0.91 -1.32 114.58 118.61 225l h GLU 45 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 225l h GLU 45 Cb 0.42 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 225l h GLU 45 CO 0.05 0.38 0.19 1.25 -1.16 0.00 0.00 179.01 179.72 225l h LEU 46 N 0.59 0.50 -1.04 1.33 5.85 -0.71 -0.62 115.31 121.21 225l h LEU 46 Ca 0.46 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 225l h LEU 46 Cb 0.67 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 225l h LEU 46 CO -0.37 0.48 0.43 0.44 -0.34 0.00 0.00 178.44 179.08 225l h ASP 47 N 0.48 0.98 -0.32 1.25 3.32 -0.75 -0.12 116.42 121.26 225l h ASP 47 Ca 0.13 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 225l h ASP 47 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 225l h ASP 47 CO -0.02 0.79 -0.18 0.50 -1.72 0.00 0.00 179.24 178.61 225l h LYS 48 N 1.10 0.79 -0.07 3.56 3.64 -1.06 0.53 116.57 125.06 225l h LYS 48 Ca 0.28 -0.30 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 225l h LYS 48 Cb 0.03 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 225l h LYS 48 CO -0.04 0.91 -0.76 0.00 -2.27 0.00 0.00 179.45 177.28 225l h ALA 49 N 1.10 0.54 0.02 5.00 0.00 -0.46 -3.32 119.26 122.14 225l h ALA 49 Ca 0.10 -0.62 -0.29 0.00 0.00 0.00 0.00 54.91 54.11 225l h ALA 49 Cb 0.69 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 225l h ALA 49 CO 0.05 0.77 -1.59 0.82 0.00 0.00 0.00 179.25 179.30 225l h ILE 50 N 0.28 1.01 0.00 0.00 1.08 -0.93 -3.49 117.51 115.47 225l h ILE 50 Ca -0.04 -2.81 0.00 0.00 -0.39 0.00 0.00 64.86 61.62 225l h ILE 50 Cb 1.35 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 37.64 225l h ILE 50 CO 0.13 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 178.84 225l n GLY 51 N 1.57 0.74 3.80 5.37 0.00 0.18 -5.05 105.19 111.80 225l n GLY 51 Ca -0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 225l n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 225l s ARG 52 N -0.81 1.88 -0.65 1.61 1.70 -1.01 -5.04 118.95 116.62 225l s ARG 52 Ca 0.00 -1.17 -0.25 0.00 -0.47 0.00 0.00 55.73 53.85 225l s ARG 52 Cb 0.00 0.59 0.05 0.00 -0.57 0.00 0.00 34.95 35.02 225l s ARG 52 CO 0.00 -0.86 1.06 -0.80 -1.08 0.00 0.00 175.30 173.63 225l s ASN 53 N -2.98 6.22 -0.04 -2.89 -0.87 -1.26 -4.33 114.94 108.79 225l s ASN 53 Ca 0.14 -0.63 0.12 0.00 -1.57 0.00 0.00 52.86 50.93 225l s ASN 53 Cb -0.05 -2.47 -0.23 0.00 -0.02 0.00 0.00 41.25 38.48 225l s ASN 53 CO 0.09 -1.51 0.67 0.00 -2.57 0.00 0.00 177.10 173.78 225l n ASN 55 N -3.07 -5.63 0.00 0.00 5.15 -1.26 -1.95 115.26 108.50 225l n ASN 55 Ca -0.17 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 225l n ASN 55 Cb 1.05 -4.24 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 225l n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 225l n GLY 56 N -1.47 0.00 3.11 8.20 0.00 -1.26 -4.93 105.19 108.83 225l n GLY 56 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 225l n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 225l s VAL 57 N -0.85 1.12 0.33 1.61 1.01 -0.82 -2.26 120.40 120.54 225l s VAL 57 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.42 225l s VAL 57 Cb 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 225l s VAL 57 CO 0.00 0.32 0.07 0.27 0.00 0.00 0.00 175.10 175.76 225l s ILE 58 N -0.28 1.01 0.31 2.22 -4.36 -0.25 -4.71 121.20 115.14 225l s ILE 58 Ca 0.04 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 225l s ILE 58 Cb -0.06 -2.69 -0.01 0.00 1.25 0.00 0.00 42.46 40.94 225l s ILE 58 CO -0.00 0.00 0.45 0.42 0.24 0.00 0.00 174.94 176.05 225l s THR 59 N -3.34 4.37 0.20 8.37 -4.23 -1.26 -4.79 115.64 114.95 225l s THR 59 Ca 0.34 -0.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.77 225l s THR 59 Cb 0.08 -3.52 0.12 0.00 1.34 0.00 0.00 72.50 70.51 225l s THR 59 CO 0.15 -0.21 1.76 0.50 -0.54 0.00 0.00 174.62 176.28 225l h LYS 60 N 0.95 0.41 -0.47 3.99 3.64 -1.99 -0.14 116.57 122.96 225l h LYS 60 Ca -0.47 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 225l h LYS 60 Cb 1.25 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 225l h LYS 60 CO 0.55 0.27 0.14 -0.44 -2.27 0.00 0.00 179.45 177.70 225l h ASP 61 N 0.42 0.10 -0.78 4.20 5.19 -1.99 -0.45 116.42 123.12 225l h ASP 61 Ca 0.27 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.70 225l h ASP 61 Cb 0.29 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 225l h ASP 61 CO -0.26 0.09 0.30 -0.33 -3.12 0.00 0.00 179.24 175.92 225l h GLU 62 N 0.29 1.17 -0.73 3.56 5.08 -1.58 -1.91 114.58 120.46 225l h GLU 62 Ca 0.23 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 225l h GLU 62 Cb 0.26 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 225l h GLU 62 CO -0.26 0.96 0.30 0.00 -1.00 0.00 0.00 179.01 179.01 225l h ALA 63 N 1.16 1.15 0.00 3.43 0.00 -0.26 -2.05 119.26 122.68 225l h ALA 63 Ca 0.26 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 225l h ALA 63 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 225l h ALA 63 CO -0.02 0.62 -0.44 0.93 0.00 0.00 0.00 179.25 180.34 225l h GLU 64 N 1.06 0.00 -0.14 0.00 5.08 -0.81 -1.21 114.58 118.55 225l h GLU 64 Ca 0.25 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 225l h GLU 64 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 225l h GLU 64 CO -0.02 0.44 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.99 225l h LYS 65 N 0.00 0.40 -0.89 2.33 3.64 -0.89 -0.95 116.57 120.21 225l h LYS 65 Ca -0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 225l h LYS 65 Cb 0.90 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 225l h LYS 65 CO 0.06 0.83 0.56 -0.07 -2.27 0.00 0.00 179.45 178.56 225l h LEU 66 N 0.01 1.05 -0.35 5.20 3.38 -1.27 -1.13 115.31 122.21 225l h LEU 66 Ca 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 225l h LEU 66 Cb 0.80 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 225l h LEU 66 CO 0.05 0.79 0.13 0.15 0.09 0.00 0.00 178.44 179.65 225l h PHE 67 N 1.22 0.55 -0.66 1.13 3.57 -1.02 -0.02 116.94 121.71 225l h PHE 67 Ca 0.32 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.80 225l h PHE 67 Cb -0.09 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 225l h PHE 67 CO 0.00 0.52 0.41 -0.91 -2.23 0.00 0.00 178.31 176.10 225l h ASN 68 N 0.42 0.69 -0.59 0.41 2.35 -0.84 -0.33 115.58 117.69 225l h ASN 68 Ca 0.12 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 225l h ASN 68 Cb 0.21 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 225l h ASN 68 CO -0.01 0.48 0.16 1.56 -1.65 0.00 0.00 177.43 177.97 225l h GLN 69 N 0.82 0.93 -0.47 0.81 4.20 -0.79 -2.45 115.11 118.16 225l h GLN 69 Ca 0.26 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 225l h GLN 69 Cb -0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 225l h GLN 69 CO -0.09 0.85 -0.12 -0.44 -0.67 0.00 0.00 178.83 178.36 225l h ASP 70 N 0.84 0.88 -0.33 1.46 3.32 -0.47 0.03 116.42 122.16 225l h ASP 70 Ca 0.19 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 225l h ASP 70 Cb 0.33 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 225l h ASP 70 CO -0.00 1.01 -0.02 0.58 -1.72 0.00 0.00 179.24 179.08 225l h VAL 71 N 0.79 1.26 -0.50 -1.35 2.07 -1.04 -0.33 116.25 117.15 225l h VAL 71 Ca 0.13 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.66 225l h VAL 71 Cb 0.64 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 225l h VAL 71 CO 0.04 0.33 0.30 -0.78 0.02 0.00 0.00 177.57 177.49 225l h ASP 72 N 0.38 0.49 -0.85 0.57 3.58 -1.35 -1.31 116.42 117.94 225l h ASP 72 Ca 0.09 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.55 225l h ASP 72 Cb 0.48 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 225l h ASP 72 CO 0.02 0.35 0.56 0.00 -2.88 0.00 0.00 179.24 177.29 225l h ALA 73 N 1.22 1.08 0.14 -0.78 0.00 -0.74 -0.64 119.26 119.54 225l h ALA 73 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 225l h ALA 73 Cb 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.46 225l h ALA 73 CO -0.09 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.58 225l h ALA 74 N 1.31 -0.19 -0.18 0.00 0.00 -0.38 0.10 119.26 119.93 225l h ALA 74 Ca 0.31 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.18 225l h ALA 74 Cb -0.13 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 225l h ALA 74 CO -0.07 -0.55 -0.13 0.28 0.00 0.00 0.00 179.25 178.78 225l h VAL 75 N -0.31 0.62 -0.55 0.00 2.07 -1.02 -0.07 116.25 117.00 225l h VAL 75 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 225l h VAL 75 Cb 0.24 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 225l h VAL 75 CO 0.03 0.00 0.22 0.03 0.02 0.00 0.00 177.57 177.87 225l h ARG 76 N -0.14 0.79 -0.33 1.57 3.08 -1.05 -1.16 114.38 117.14 225l h ARG 76 Ca 0.11 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 225l h ARG 76 Cb 0.30 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 225l h ARG 76 CO -0.27 0.64 0.19 0.78 -1.07 0.00 0.00 179.97 180.25 225l h GLY 77 N 0.91 0.48 0.80 0.04 0.00 0.01 -2.01 103.07 103.30 225l h GLY 77 Ca 0.19 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.34 225l h GLY 77 CO -0.02 0.20 0.19 -2.22 0.00 0.00 0.00 176.54 174.69 225l h ILE 78 N 0.42 0.97 0.00 2.60 2.04 -0.46 -1.89 117.51 121.20 225l h ILE 78 Ca 0.12 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.84 225l h ILE 78 Cb 0.02 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 225l h ILE 78 CO -0.02 0.07 0.00 -0.07 0.00 0.00 0.00 178.15 178.13 225l h LEU 79 N 0.39 0.00 0.00 1.44 3.38 -0.85 -1.91 115.31 117.77 225l h LEU 79 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 225l h LEU 79 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 225l h LEU 79 CO -0.12 0.00 -1.47 0.54 0.09 0.00 0.00 178.44 177.48 225l n ARG 80 N -2.77 0.48 -2.79 1.13 1.74 -0.79 -4.84 116.66 108.82 225l n ARG 80 Ca -0.00 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 225l n ARG 80 Cb 0.20 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 225l n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 225l s ASN 81 N -4.34 6.83 0.42 0.55 3.84 -0.73 -4.92 114.94 116.58 225l s ASN 81 Ca -0.02 0.92 0.16 0.00 0.21 0.00 0.00 52.86 54.13 225l s ASN 81 Cb 0.14 -2.48 1.04 0.00 -0.55 0.00 0.00 41.25 39.40 225l s ASN 81 CO 0.86 -0.71 1.88 0.00 -2.79 0.00 0.00 177.10 176.34 225l h ALA 82 N 7.99 2.13 0.15 1.71 0.00 -1.91 0.99 119.26 130.31 225l h ALA 82 Ca -0.22 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 225l h ALA 82 Cb 1.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.82 225l h ALA 82 CO 0.95 -0.37 -1.41 0.87 0.00 0.00 0.00 179.25 179.29 225l h LYS 83 N 0.44 0.31 0.14 0.00 1.57 -1.92 -3.39 116.57 113.72 225l h LYS 83 Ca 0.42 -0.53 -0.33 0.00 -1.87 0.00 0.00 60.65 58.34 225l h LYS 83 Cb 0.98 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 225l h LYS 83 CO -0.15 1.22 -1.67 -0.07 -0.57 0.00 0.00 179.45 178.20 225l h LEU 84 N 0.08 0.47 -0.27 2.94 3.38 -1.57 -3.39 115.31 116.95 225l h LEU 84 Ca -0.20 -0.71 0.07 0.00 0.09 0.00 0.00 57.88 57.12 225l h LEU 84 Cb 2.03 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 42.55 225l h LEU 84 CO 0.20 1.60 -0.24 0.50 0.09 0.00 0.00 178.44 180.59 225l h LYS 85 N 0.08 -0.22 -0.65 1.13 3.64 -0.71 -1.05 116.57 118.79 225l h LYS 85 Ca -0.30 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 225l h LYS 85 Cb 2.05 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.89 225l h LYS 85 CO 0.16 -0.15 0.43 -1.35 -2.27 0.00 0.00 179.45 176.27 225l h PRO 86 N -0.23 0.77 0.09 1.90 0.11 -1.79 0.21 132.00 133.06 225l h PRO 86 Ca 0.15 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 225l h PRO 86 Cb 0.45 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.39 225l h PRO 86 CO -0.41 0.51 -0.04 0.28 -0.21 0.00 0.00 178.00 178.13 225l h VAL 87 N 0.79 1.05 -0.34 3.15 2.07 -1.60 -1.46 116.25 119.92 225l h VAL 87 Ca 0.25 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.31 225l h VAL 87 Cb 0.03 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 225l h VAL 87 CO -0.07 0.13 -0.05 0.22 0.02 0.00 0.00 177.57 177.82 225l h TYR 88 N -0.37 -0.12 -0.20 1.57 3.20 -0.54 -1.10 116.97 119.41 225l h TYR 88 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 225l h TYR 88 Cb 0.31 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 225l h TYR 88 CO 0.01 -0.12 0.06 -0.44 -1.64 0.00 0.00 178.16 176.03 225l h ASP 89 N 0.03 0.24 1.08 -2.11 3.32 -0.53 -1.67 116.42 116.80 225l h ASP 89 Ca 0.16 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 225l h ASP 89 Cb 0.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 225l h ASP 89 CO -0.32 0.24 0.00 -1.54 -1.72 0.00 0.00 179.24 175.90 225l n SER 90 N -4.44 0.34 -4.93 6.45 3.41 -0.45 -4.90 113.62 109.10 225l n SER 90 Ca -0.00 0.54 -0.25 0.00 -0.26 0.00 0.00 58.87 58.90 225l n SER 90 Cb 0.13 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.43 225l n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 225l s LEU 91 N -3.67 4.05 0.94 1.04 1.43 -0.63 -5.07 118.68 116.78 225l s LEU 91 Ca 0.11 0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 225l s LEU 91 Cb 0.15 -3.33 0.16 0.00 0.03 0.00 0.00 46.19 43.20 225l s LEU 91 CO 0.51 -0.24 1.15 1.51 0.23 0.00 0.00 176.35 179.51 225l s ASP 92 N -3.75 3.24 0.17 2.29 1.47 -1.26 -4.81 116.67 114.03 225l s ASP 92 Ca 0.40 0.90 -0.14 0.00 1.18 0.00 0.00 52.55 54.89 225l s ASP 92 Cb -0.10 -1.41 0.12 0.00 -0.34 0.00 0.00 42.92 41.19 225l s ASP 92 CO 0.34 -2.71 1.78 0.00 0.68 0.00 0.00 175.17 175.26 225l h ALA 93 N -1.61 0.60 -0.12 2.11 0.00 -1.97 -1.96 119.26 116.31 225l h ALA 93 Ca -0.50 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 225l h ALA 93 Cb 1.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 225l h ALA 93 CO 0.58 -0.13 -0.00 0.28 0.00 0.00 0.00 179.25 179.97 225l h VAL 94 N 0.45 1.25 -0.22 0.00 2.07 -1.94 -2.78 116.25 115.08 225l h VAL 94 Ca 0.21 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.91 225l h VAL 94 Cb 0.14 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 225l h VAL 94 CO -0.16 0.24 0.14 0.03 0.02 0.00 0.00 177.57 177.83 225l h ARG 95 N -0.06 0.29 -0.80 1.57 3.08 -1.82 -0.84 114.38 115.80 225l h ARG 95 Ca 0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.08 225l h ARG 95 Cb 0.36 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 225l h ARG 95 CO 0.01 0.20 0.53 0.00 -1.07 0.00 0.00 179.97 179.63 225l h ARG 96 N 0.30 1.04 -0.81 0.04 3.08 -1.08 -1.46 114.38 115.48 225l h ARG 96 Ca 0.08 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.12 225l h ARG 96 Cb -0.02 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.74 225l h ARG 96 CO -0.02 0.68 0.50 0.00 -1.07 0.00 0.00 179.97 180.07 225l h ALA 98 N 1.37 1.37 -0.32 0.00 0.00 -0.83 0.20 119.26 121.04 225l h ALA 98 Ca 0.34 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 225l h ALA 98 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 225l h ALA 98 CO -0.15 0.56 -0.35 1.25 0.00 0.00 0.00 179.25 180.56 225l h LEU 99 N 1.12 0.78 -0.74 0.00 5.85 -0.78 -2.45 115.31 119.09 225l h LEU 99 Ca 0.30 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 225l h LEU 99 Cb -0.08 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 225l h LEU 99 CO -0.06 1.06 0.24 0.40 -0.34 0.00 0.00 178.44 179.73 225l h ILE 100 N 0.62 1.26 -0.22 4.05 2.04 0.11 -2.52 117.51 122.85 225l h ILE 100 Ca 0.06 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.07 225l h ILE 100 Cb 0.89 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 225l h ILE 100 CO 0.08 0.35 -0.07 -1.13 0.00 0.00 0.00 178.15 177.38 225l h ASN 101 N 1.09 -0.25 -0.36 1.72 -0.73 -0.76 -1.36 115.58 114.92 225l h ASN 101 Ca 0.24 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.48 225l h ASN 101 Cb 0.30 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 225l h ASN 101 CO -0.01 -0.09 0.24 0.24 -0.37 0.00 0.00 177.43 177.44 225l h MET 102 N -0.02 0.48 -0.79 6.67 2.86 -1.30 -1.84 114.93 120.99 225l h MET 102 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 225l h MET 102 Cb 0.19 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 225l h MET 102 CO -0.24 0.33 0.51 0.28 1.06 0.00 0.00 176.91 178.84 225l h VAL 103 N 0.49 1.21 -0.73 -2.22 2.07 -1.15 0.26 116.25 116.18 225l h VAL 103 Ca 0.13 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 225l h VAL 103 Cb -0.05 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 225l h VAL 103 CO -0.03 0.21 0.27 0.15 0.02 0.00 0.00 177.57 178.19 225l h PHE 104 N 1.08 1.13 -0.05 1.57 3.04 -0.94 0.29 116.94 123.07 225l h PHE 104 Ca 0.29 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 62.06 225l h PHE 104 Cb -0.09 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.08 225l h PHE 104 CO 0.00 0.88 -0.28 0.37 -2.02 0.00 0.00 178.31 177.26 225l h GLN 105 N 1.06 0.27 0.00 1.11 4.15 -0.53 -3.39 115.11 117.78 225l h GLN 105 Ca 0.24 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.43 225l h GLN 105 Cb 0.24 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.98 225l h GLN 105 CO -0.02 0.89 0.00 0.00 -1.93 0.00 0.00 178.83 177.77 225l n MET 106 N -4.48 0.72 0.00 1.69 0.00 0.85 -5.10 117.12 110.81 225l n MET 106 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 57.70 56.74 225l n MET 106 Cb 0.48 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 32.76 225l n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 225l n GLY 107 N -0.20 -2.44 0.29 3.17 0.00 0.10 -3.81 105.19 102.29 225l n GLY 107 Ca 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.58 225l n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 225l h GLU 108 N 0.00 0.73 -0.01 1.61 5.08 -1.93 -1.53 114.58 118.54 225l h GLU 108 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 225l h GLU 108 Cb 0.00 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 225l h GLU 108 CO 0.00 0.49 0.01 1.15 -1.00 0.00 0.00 179.01 179.65 225l h THR 109 N 0.76 1.11 0.01 1.13 2.02 -1.97 0.36 112.91 116.32 225l h THR 109 Ca 0.35 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.23 225l h THR 109 Cb 0.28 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 225l h THR 109 CO -0.22 0.08 -0.06 1.23 0.37 0.00 0.00 175.52 176.93 225l h GLY 110 N -0.11 -0.07 1.06 2.16 0.00 -1.58 -2.22 103.07 102.31 225l h GLY 110 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 225l h GLY 110 CO -0.00 -0.07 0.26 -2.08 0.00 0.00 0.00 176.54 174.66 225l h VAL 111 N -0.11 1.26 -0.00 4.60 2.07 -1.21 -1.69 116.25 121.17 225l h VAL 111 Ca 0.02 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.65 225l h VAL 111 Cb 0.13 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 225l h VAL 111 CO -0.06 0.35 0.10 0.00 0.02 0.00 0.00 177.57 177.98 225l h ALA 112 N 1.14 1.10 0.00 1.67 0.00 0.10 -0.79 119.26 122.49 225l h ALA 112 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 225l h ALA 112 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 225l h ALA 112 CO -0.01 -0.10 0.00 0.78 0.00 0.00 0.00 179.25 179.92 225l h GLY 113 N 0.00 0.00 -4.82 0.00 0.00 -0.70 -3.33 103.07 94.22 225l h GLY 113 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 225l h GLY 113 CO -0.00 0.00 1.50 0.69 0.00 0.00 0.00 176.54 178.73 225l n PHE 114 N -2.44 1.68 -0.16 5.60 3.01 -0.30 -4.68 117.46 120.16 225l n PHE 114 Ca 0.03 -2.33 -0.07 0.00 1.01 0.00 0.00 57.45 56.09 225l n PHE 114 Cb 0.32 -1.79 -0.01 0.00 -0.01 0.00 0.00 39.48 37.98 225l n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 225l h THR 115 N 2.38 0.19 -0.44 4.37 2.02 -1.82 0.18 112.91 119.79 225l h THR 115 Ca 0.54 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.65 225l h THR 115 Cb 0.70 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 225l h THR 115 CO 1.09 0.00 -0.00 0.78 0.37 0.00 0.00 175.52 177.76 225l h ASN 116 N -0.22 0.76 -0.65 4.18 2.35 -1.95 -1.51 115.58 118.53 225l h ASN 116 Ca 0.20 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 225l h ASN 116 Cb 0.55 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 225l h ASN 116 CO -0.61 0.88 0.39 0.28 -1.65 0.00 0.00 177.43 176.72 225l h SER 117 N 0.61 0.79 -0.82 5.81 0.02 -1.76 -1.35 113.55 116.85 225l h SER 117 Ca 0.12 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 225l h SER 117 Cb 0.49 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 225l h SER 117 CO 0.02 0.63 0.38 -0.07 -1.14 0.00 0.00 176.83 176.65 225l h LEU 118 N 0.89 1.08 -0.64 5.07 3.38 -0.56 0.60 115.31 125.14 225l h LEU 118 Ca 0.23 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 225l h LEU 118 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 225l h LEU 118 CO -0.04 0.92 0.21 -0.09 0.09 0.00 0.00 178.44 179.53 225l h ARG 119 N 1.17 0.99 -0.58 1.13 2.43 -0.82 -0.64 114.38 118.06 225l h ARG 119 Ca 0.28 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 225l h ARG 119 Cb 0.14 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 225l h ARG 119 CO -0.03 0.87 -0.02 0.52 -1.51 0.00 0.00 179.97 179.79 225l h MET 120 N 0.92 1.03 -0.78 0.20 2.86 -0.84 -0.97 114.93 117.35 225l h MET 120 Ca 0.21 -0.33 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 225l h MET 120 Cb 0.28 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 225l h MET 120 CO -0.01 1.02 0.46 -0.07 1.06 0.00 0.00 176.91 179.37 225l h LEU 121 N 0.93 0.70 -1.54 1.22 3.38 -0.35 0.39 115.31 120.04 225l h LEU 121 Ca 0.16 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 225l h LEU 121 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 225l h LEU 121 CO 0.03 0.44 -0.23 -0.61 0.09 0.00 0.00 178.44 178.15 225l h GLN 122 N 0.83 0.00 -0.25 1.13 4.15 -0.41 -1.47 115.11 119.09 225l h GLN 122 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 225l h GLN 122 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 225l h GLN 122 CO -0.19 0.23 0.00 1.04 -1.93 0.00 0.00 178.83 177.98 225l n GLN 123 N -4.19 1.79 -2.34 1.69 6.02 0.04 -4.91 117.38 115.47 225l n GLN 123 Ca -0.02 -1.20 -0.19 0.00 -0.01 0.00 0.00 57.00 55.58 225l n GLN 123 Cb 0.29 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 30.19 225l n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 225l n LYS 124 N 0.44 -1.48 -2.86 -1.09 5.02 -0.55 -4.91 118.16 112.72 225l n LYS 124 Ca 0.15 0.91 -0.43 0.00 -2.02 0.00 0.00 58.31 56.91 225l n LYS 124 Cb 0.33 -5.44 0.01 0.00 -0.02 0.00 0.00 35.03 29.90 225l n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 225l n ARG 125 N -2.78 4.21 -0.02 1.97 1.74 -0.96 -4.89 116.66 115.93 225l n ARG 125 Ca -0.22 -4.29 -0.09 0.00 -0.77 0.00 0.00 57.85 52.48 225l n ARG 125 Cb 0.67 -2.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.46 225l n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 225l h TRP 126 N 5.60 -0.43 -0.79 -1.55 -0.00 -1.89 -1.74 115.95 115.14 225l h TRP 126 Ca 0.25 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.12 225l h TRP 126 Cb 0.63 0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.98 225l h TRP 126 CO 1.06 -0.24 0.32 -0.44 -0.00 0.00 0.00 178.44 179.14 225l h ASP 127 N -0.19 1.08 -0.57 -3.49 5.19 -1.90 -2.11 116.42 114.43 225l h ASP 127 Ca 0.11 -0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.26 225l h ASP 127 Cb 0.36 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 225l h ASP 127 CO -0.29 0.95 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.41 225l h GLU 128 N 1.15 1.05 -0.79 3.56 5.08 -1.91 -2.17 114.58 120.54 225l h GLU 128 Ca 0.27 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 225l h GLU 128 Cb 0.20 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 225l h GLU 128 CO -0.02 1.04 0.51 0.00 -1.00 0.00 0.00 179.01 179.54 225l h ALA 129 N 1.00 1.00 -0.64 3.43 0.00 -1.08 -0.82 119.26 122.15 225l h ALA 129 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 225l h ALA 129 Cb 0.59 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 225l h ALA 129 CO 0.04 0.43 0.21 0.00 0.00 0.00 0.00 179.25 179.92 225l h ALA 130 N 1.28 1.16 -0.20 0.00 0.00 -1.06 0.15 119.26 120.58 225l h ALA 130 Ca 0.29 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 225l h ALA 130 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.44 225l h ALA 130 CO -0.06 0.59 -0.51 0.28 0.00 0.00 0.00 179.25 179.55 225l h VAL 131 N 0.94 1.31 -0.42 0.00 2.07 -1.07 -2.85 116.25 116.23 225l h VAL 131 Ca 0.21 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 225l h VAL 131 Cb 0.26 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 225l h VAL 131 CO -0.01 0.54 0.01 -1.13 0.02 0.00 0.00 177.57 177.00 225l h ASN 132 N 0.40 0.72 0.33 0.57 -0.73 -0.76 -2.95 115.58 113.15 225l h ASN 132 Ca -0.01 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 57.85 225l h ASN 132 Cb 1.12 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.52 225l h ASN 132 CO 0.11 0.84 -0.06 1.23 -0.37 0.00 0.00 177.43 179.19 225l h GLY 133 N 0.57 0.00 2.00 1.57 0.00 -0.75 -1.62 103.07 104.83 225l h GLY 133 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 225l h GLY 133 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 225l h ALA 134 N 1.94 1.00 -1.17 3.60 0.00 -1.32 -3.34 119.26 119.98 225l h ALA 134 Ca -0.00 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 225l h ALA 134 Cb 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.86 225l h ALA 134 CO 0.01 0.00 1.78 1.63 0.00 0.00 0.00 179.25 182.67 225l n LYS 135 N -2.67 3.63 -3.54 0.00 5.02 -0.61 -4.69 118.16 115.29 225l n LYS 135 Ca 0.02 -3.68 -0.14 0.00 -2.02 0.00 0.00 58.31 52.50 225l n LYS 135 Cb 0.33 -2.92 -0.05 0.00 -0.02 0.00 0.00 35.03 32.38 225l n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 225l s SER 136 N 1.10 -0.47 0.22 4.39 1.04 -1.25 -5.01 113.70 113.73 225l s SER 136 Ca 0.40 0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.90 225l s SER 136 Cb 0.06 0.52 0.30 0.00 0.10 0.00 0.00 66.02 67.00 225l s SER 136 CO 0.01 -0.77 1.81 -0.09 0.98 0.00 0.00 173.24 175.18 225l h ARG 137 N 2.61 0.73 -0.55 4.02 2.43 -1.92 -1.84 114.38 119.85 225l h ARG 137 Ca -0.31 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 58.92 225l h ARG 137 Cb 1.23 -0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 30.51 225l h ARG 137 CO 0.41 0.48 -0.16 2.35 -1.51 0.00 0.00 179.97 181.54 225l h TRP 138 N 0.75 -0.36 -0.58 2.20 7.01 -1.95 0.20 115.95 123.23 225l h TRP 138 Ca 0.34 0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.34 225l h TRP 138 Cb 0.24 0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 225l h TRP 138 CO -0.07 -0.26 0.16 -0.92 -2.79 0.00 0.00 178.44 174.56 225l h TYR 139 N -0.02 0.95 0.00 2.65 3.20 -1.64 -2.29 116.97 119.81 225l h TYR 139 Ca 0.26 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 225l h TYR 139 Cb 0.43 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 225l h TYR 139 CO -0.48 0.80 -0.41 -0.91 -1.64 0.00 0.00 178.16 175.53 225l h ASN 140 N 0.82 0.00 0.38 -2.11 4.21 -0.49 -2.31 115.58 116.09 225l h ASN 140 Ca 0.18 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.38 225l h ASN 140 Cb 0.32 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.53 225l h ASN 140 CO -0.00 0.41 -1.50 1.56 -1.29 0.00 0.00 177.43 176.60 225l h GLN 141 N 0.00 0.37 -2.05 0.81 1.08 -0.48 -3.40 115.11 111.44 225l h GLN 141 Ca -0.00 -0.63 -0.55 0.00 -1.45 0.00 0.00 58.65 56.01 225l h GLN 141 Cb 0.89 0.24 -0.40 0.00 -0.05 0.00 0.00 27.48 28.15 225l h GLN 141 CO 0.05 1.27 -1.01 0.25 -0.95 0.00 0.00 178.83 178.45 225l n THR 142 N -3.57 0.14 -0.19 -0.54 -2.24 -0.88 -5.00 114.28 102.01 225l n THR 142 Ca -0.17 -4.41 -0.01 0.00 -2.27 0.00 0.00 64.05 57.19 225l n THR 142 Cb 1.06 -1.65 0.09 0.00 -2.10 0.00 0.00 70.33 67.73 225l n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 225l h PRO 143 N 3.80 0.42 -0.24 -0.78 0.13 -1.63 -1.28 132.00 132.42 225l h PRO 143 Ca 0.10 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 225l h PRO 143 Cb 0.84 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 225l h PRO 143 CO 0.55 0.28 0.12 -0.91 -0.23 0.00 0.00 178.00 177.82 225l h ASN 144 N 0.44 0.31 -0.02 1.44 2.35 -1.94 0.42 115.58 118.57 225l h ASN 144 Ca 0.28 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 225l h ASN 144 Cb 0.30 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 225l h ASN 144 CO -0.26 0.33 0.01 -0.09 -1.65 0.00 0.00 177.43 175.76 225l h ARG 145 N 0.26 0.02 -0.63 0.81 2.43 -1.95 -2.42 114.38 112.91 225l h ARG 145 Ca 0.08 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 225l h ARG 145 Cb 0.10 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.56 225l h ARG 145 CO -0.01 0.18 0.23 0.00 -1.51 0.00 0.00 179.97 178.85 225l h ALA 146 N 0.84 0.82 -0.65 2.80 0.00 -1.08 -0.86 119.26 121.13 225l h ALA 146 Ca 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 225l h ALA 146 Cb 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 225l h ALA 146 CO -0.00 -0.21 0.36 0.87 0.00 0.00 0.00 179.25 180.27 225l h LYS 147 N 0.39 0.89 -0.41 0.00 1.57 0.02 -0.10 116.57 118.94 225l h LYS 147 Ca 0.33 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 225l h LYS 147 Cb 0.43 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 225l h LYS 147 CO -0.34 0.65 -0.05 0.00 -0.57 0.00 0.00 179.45 179.14 225l h ARG 148 N 0.90 0.75 -0.40 3.15 3.08 -0.70 -0.55 114.38 120.61 225l h ARG 148 Ca 0.23 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 225l h ARG 148 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 225l h ARG 148 CO -0.04 0.86 -0.26 0.28 -1.07 0.00 0.00 179.97 179.74 225l h VAL 149 N 0.57 1.27 -0.63 2.04 2.07 -0.84 -2.49 116.25 118.25 225l h VAL 149 Ca 0.11 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 225l h VAL 149 Cb 0.55 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 225l h VAL 149 CO 0.03 0.47 0.19 0.40 0.02 0.00 0.00 177.57 178.68 225l h ILE 150 N 0.71 1.25 -0.41 4.57 2.04 -0.94 -1.25 117.51 123.48 225l h ILE 150 Ca 0.09 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 225l h ILE 150 Cb 0.80 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 225l h ILE 150 CO 0.07 0.33 -0.02 0.74 0.00 0.00 0.00 178.15 179.26 225l h THR 151 N 0.92 1.23 -0.49 -0.27 2.02 -1.01 0.58 112.91 115.88 225l h THR 151 Ca 0.20 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 225l h THR 151 Cb 0.31 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 225l h THR 151 CO -0.00 0.33 0.15 0.74 0.37 0.00 0.00 175.52 177.10 225l h THR 152 N 0.63 1.23 -0.49 3.16 2.02 -1.05 0.83 112.91 119.24 225l h THR 152 Ca 0.12 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 225l h THR 152 Cb 0.43 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 225l h THR 152 CO 0.02 0.28 0.01 -0.26 0.37 0.00 0.00 175.52 175.94 225l h PHE 153 N 0.66 0.94 -0.42 3.16 0.04 -0.93 0.29 116.94 120.68 225l h PHE 153 Ca 0.16 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 225l h PHE 153 Cb 0.28 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 225l h PHE 153 CO 0.02 0.89 0.06 -0.09 -0.60 0.00 0.00 178.31 178.58 225l h ARG 154 N 0.73 0.70 0.00 1.51 2.43 -0.64 -3.36 114.38 115.75 225l h ARG 154 Ca 0.14 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 225l h ARG 154 Cb 0.51 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 225l h ARG 154 CO 0.02 0.74 -1.78 0.25 -1.51 0.00 0.00 179.97 177.70 225l n THR 155 N -4.49 0.00 -1.15 0.20 -2.24 0.26 -4.77 114.28 102.10 225l n THR 155 Ca -0.00 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 225l n THR 155 Cb 0.24 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 225l n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 225l n GLY 156 N 1.38 0.70 3.56 3.38 0.00 0.10 -4.99 105.19 109.32 225l n GLY 156 Ca -0.03 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 225l n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 225l s THR 157 N -1.93 1.43 -1.16 2.61 -4.23 -1.26 -4.73 115.64 106.37 225l s THR 157 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 225l s THR 157 Cb 0.00 -2.75 0.61 0.00 1.34 0.00 0.00 72.50 71.70 225l s THR 157 CO 0.00 0.00 1.49 0.79 -0.54 0.00 0.00 174.62 176.36 225l n TRP 158 N -0.88 1.29 -0.35 3.99 7.02 -1.26 -4.54 117.44 122.71 225l n TRP 158 Ca -0.06 -0.51 0.24 0.00 -1.02 0.00 0.00 57.50 56.15 225l n TRP 158 Cb 0.67 -0.23 0.49 0.00 -2.42 0.00 0.00 31.31 29.81 225l n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 225l h ASP 159 N 3.43 0.49 0.63 -0.99 3.32 -1.95 0.89 116.42 122.24 225l h ASP 159 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 225l h ASP 159 Cb 1.29 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.90 225l h ASP 159 CO 0.21 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 225l h ALA 160 N 1.70 1.00 -0.02 3.45 0.00 -1.88 -2.28 119.26 121.23 225l h ALA 160 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 225l h ALA 160 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 225l h ALA 160 CO -0.43 0.00 -0.13 0.66 0.00 0.00 0.00 179.25 179.35 225l n TYR 161 N -2.78 0.00 0.33 0.00 4.02 0.29 -4.96 117.16 114.05 225l n TYR 161 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 225l n TYR 161 Cb 0.21 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.56 225l n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48