#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 126l s ASN 2 N 0.00 0.55 0.27 6.12 2.20 -1.26 -5.03 114.94 117.79 126l s ASN 2 Ca 0.00 -1.31 -0.00 0.00 -0.94 0.00 0.00 52.86 50.60 126l s ASN 2 Cb 0.00 0.66 0.54 0.00 -2.00 0.00 0.00 41.25 40.45 126l s ASN 2 CO 0.00 -1.30 1.79 -0.29 -2.94 0.00 0.00 177.10 174.36 126l h ILE 3 N 2.14 0.80 0.01 0.54 6.09 -1.97 -0.07 117.51 125.05 126l h ILE 3 Ca -0.28 -0.26 -0.00 0.00 -1.37 0.00 0.00 64.86 62.95 126l h ILE 3 Cb 1.24 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.51 126l h ILE 3 CO 0.39 0.14 -0.00 -0.26 -3.07 0.00 0.00 178.15 175.34 126l h PHE 4 N 0.76 -0.01 -0.43 2.19 0.04 -1.99 -0.28 116.94 117.22 126l h PHE 4 Ca 0.48 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.19 126l h PHE 4 Cb 0.60 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 126l h PHE 4 CO -0.05 0.22 0.04 0.93 -0.60 0.00 0.00 178.31 178.84 126l h GLU 5 N -0.24 0.68 0.36 1.51 5.08 -1.87 -0.58 114.58 119.51 126l h GLU 5 Ca -0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 126l h GLU 5 Cb 0.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 126l h GLU 5 CO 0.00 0.67 -0.17 1.98 -1.00 0.00 0.00 179.01 180.49 126l h MET 6 N 0.65 -0.46 -0.06 2.33 4.05 -0.86 -2.30 114.93 118.27 126l h MET 6 Ca 0.14 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.52 126l h MET 6 Cb 0.35 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 126l h MET 6 CO 0.01 -0.23 -0.29 -0.07 0.23 0.00 0.00 176.91 176.56 126l h LEU 7 N -0.63 0.11 -1.06 3.39 3.38 -0.96 -2.19 115.31 117.36 126l h LEU 7 Ca -0.05 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 126l h LEU 7 Cb 0.45 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 126l h LEU 7 CO 0.08 0.41 -0.15 -0.09 0.09 0.00 0.00 178.44 178.78 126l h ARG 8 N 0.10 0.50 -0.28 1.13 9.65 -0.98 0.87 114.38 125.37 126l h ARG 8 Ca 0.02 -0.15 -0.08 0.00 -1.10 0.00 0.00 59.98 58.66 126l h ARG 8 Cb 0.57 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 126l h ARG 8 CO 0.04 0.64 -0.16 0.82 2.80 0.00 0.00 179.97 184.11 126l h ILE 9 N 0.46 1.30 -0.21 1.20 2.04 -1.04 -1.66 117.51 119.59 126l h ILE 9 Ca 0.08 -1.26 -0.14 0.00 1.00 0.00 0.00 64.86 64.54 126l h ILE 9 Cb 0.52 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 126l h ILE 9 CO 0.03 0.40 -0.45 0.44 0.00 0.00 0.00 178.15 178.57 126l h ASP 10 N 0.34 0.58 0.11 1.72 3.32 -1.03 -3.34 116.42 118.11 126l h ASP 10 Ca 0.06 -0.27 -0.32 0.00 0.02 0.00 0.00 57.03 56.52 126l h ASP 10 Cb 0.68 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 126l h ASP 10 CO 0.05 0.95 -2.21 -0.62 -1.72 0.00 0.00 179.24 175.68 126l n GLU 11 N -4.00 0.68 0.00 3.56 -0.58 0.27 -5.08 120.64 115.48 126l n GLU 11 Ca -0.02 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 126l n GLU 11 Cb 0.54 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 126l n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 126l n GLY 12 N 1.67 -1.83 2.72 0.62 0.00 -0.62 -4.50 105.19 103.24 126l n GLY 12 Ca -0.27 -1.37 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 126l n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 126l s LEU 13 N 0.00 0.47 -0.05 0.99 2.96 -1.26 -4.32 118.68 117.46 126l s LEU 13 Ca 0.00 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 126l s LEU 13 Cb 0.00 -0.07 0.02 0.00 0.50 0.00 0.00 46.19 46.64 126l s LEU 13 CO 0.00 -0.20 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.64 126l s ARG 14 N 1.76 0.98 0.00 1.98 0.52 -0.55 -4.99 118.95 118.66 126l s ARG 14 Ca -0.00 -0.14 0.27 0.00 -0.52 0.00 0.00 55.73 55.33 126l s ARG 14 Cb -0.12 -0.98 0.81 0.00 0.52 0.00 0.00 34.95 35.18 126l s ARG 14 CO -0.03 -0.09 1.60 1.28 0.02 0.00 0.00 175.30 178.07 126l n LEU 15 N 4.16 1.06 -4.33 2.53 4.77 -1.26 0.57 117.00 124.50 126l n LEU 15 Ca -0.22 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.20 126l n LEU 15 Cb 0.51 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 126l n LEU 15 CO 0.22 0.19 -0.55 -0.75 -1.33 0.00 0.00 177.39 175.17 126l s LYS 16 N -2.44 1.46 0.26 3.23 2.20 -1.26 -1.30 119.74 121.88 126l s LYS 16 Ca 0.26 -1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 54.40 126l s LYS 16 Cb 0.19 -1.75 -0.14 0.00 -1.51 0.00 0.00 37.83 34.63 126l s LYS 16 CO 0.50 0.43 1.25 -0.89 -0.36 0.00 0.00 175.35 176.28 126l n ILE 17 N 1.36 1.36 -4.19 5.43 5.41 -1.02 -4.72 119.36 123.00 126l n ILE 17 Ca -0.18 -0.34 -0.12 0.00 1.00 0.00 0.00 62.75 63.11 126l n ILE 17 Cb 0.53 -1.26 -0.09 0.00 -0.71 0.00 0.00 39.64 38.10 126l n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 126l s TYR 18 N -0.49 1.13 -0.14 1.39 1.13 0.85 -4.96 117.35 116.26 126l s TYR 18 Ca 0.65 -1.34 -0.06 0.00 -1.41 0.00 0.00 57.07 54.91 126l s TYR 18 Cb -0.69 -0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 39.64 126l s TYR 18 CO 0.55 -0.70 0.08 0.15 -2.51 0.00 0.00 175.55 173.12 126l s LYS 19 N -4.07 3.54 0.37 -3.49 1.02 -1.26 -0.20 119.74 115.66 126l s LYS 19 Ca 0.37 -0.27 -0.06 0.00 0.02 0.00 0.00 55.97 56.04 126l s LYS 19 Cb 0.06 -3.12 0.09 0.00 -0.52 0.00 0.00 37.83 34.34 126l s LYS 19 CO 0.13 0.58 0.48 -0.40 -0.92 0.00 0.00 175.35 175.22 126l n ASP 20 N 2.59 -0.15 0.31 2.83 5.75 0.17 -4.81 116.55 123.23 126l n ASP 20 Ca -0.18 -1.12 0.18 0.00 -0.01 0.00 0.00 54.79 53.66 126l n ASP 20 Cb 0.54 -0.37 0.99 0.00 -1.03 0.00 0.00 41.12 41.24 126l n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 126l h THR 21 N -1.37 0.29 -0.06 2.12 1.35 -1.99 -0.47 112.91 112.77 126l h THR 21 Ca -0.16 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 126l h THR 21 Cb 0.44 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 126l h THR 21 CO 0.11 0.02 0.00 -0.62 -0.25 0.00 0.00 175.52 174.78 126l n GLU 22 N -3.45 1.89 -0.66 4.72 -0.58 -1.26 -4.93 120.64 116.36 126l n GLU 22 Ca -0.02 -1.30 0.00 0.00 -0.42 0.00 0.00 57.16 55.42 126l n GLU 22 Cb 0.12 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 126l n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 126l n GLY 23 N 1.23 0.61 3.90 0.62 0.00 -0.19 -5.07 105.19 106.30 126l n GLY 23 Ca 0.17 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 126l n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 126l s TYR 24 N -2.00 3.52 0.12 1.61 2.02 -1.26 -4.65 117.35 116.71 126l s TYR 24 Ca 0.00 0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 56.83 126l s TYR 24 Cb 0.00 -1.90 -0.09 0.00 -0.40 0.00 0.00 41.96 39.57 126l s TYR 24 CO 0.00 0.55 1.51 0.71 -1.57 0.00 0.00 175.55 176.75 126l s TYR 25 N -1.48 3.00 0.16 2.71 2.02 -1.21 0.41 117.35 122.96 126l s TYR 25 Ca 0.34 0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 126l s TYR 25 Cb -0.13 -3.83 -0.03 0.00 -0.40 0.00 0.00 41.96 37.58 126l s TYR 25 CO 0.23 -3.07 0.17 0.99 -1.57 0.00 0.00 175.55 172.30 126l s THR 26 N 1.50 0.07 0.16 -0.71 2.01 0.73 -0.77 115.64 118.62 126l s THR 26 Ca 0.68 -1.70 -0.14 0.00 0.31 0.00 0.00 61.69 60.84 126l s THR 26 Cb -0.40 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.10 126l s THR 26 CO 0.31 -0.32 0.41 -0.51 -0.69 0.00 0.00 174.62 173.82 126l s ILE 27 N -4.03 0.05 0.00 1.82 2.07 -0.88 -0.11 121.20 120.13 126l s ILE 27 Ca 0.23 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.56 126l s ILE 27 Cb 0.05 -1.54 0.00 0.00 0.13 0.00 0.00 42.46 41.11 126l s ILE 27 CO 0.03 -0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.42 126l n GLY 28 N -0.26 2.64 3.05 1.50 0.00 0.19 -1.65 105.19 110.67 126l n GLY 28 Ca -0.11 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 126l n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 126l n ILE 29 N 0.00 4.45 -2.16 -0.61 5.41 -1.26 -1.48 119.36 123.70 126l n ILE 29 Ca 0.00 -5.58 -0.13 0.00 1.00 0.00 0.00 62.75 58.03 126l n ILE 29 Cb 0.00 -2.27 -0.01 0.00 -0.71 0.00 0.00 39.64 36.65 126l n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 126l n GLY 30 N 1.80 -0.02 3.47 7.39 0.00 -1.25 -4.90 105.19 111.69 126l n GLY 30 Ca 0.25 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 126l n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 126l s HIS 31 N -2.66 2.77 0.21 1.61 5.04 -0.66 -4.94 115.29 116.66 126l s HIS 31 Ca 0.00 -0.37 -0.31 0.00 -1.54 0.00 0.00 55.06 52.84 126l s HIS 31 Cb 0.00 -4.12 -0.10 0.00 0.04 0.00 0.00 32.58 28.40 126l s HIS 31 CO 0.00 -1.47 1.53 -1.17 -2.34 0.00 0.00 174.74 171.29 126l s LEU 32 N 3.82 4.37 -0.20 8.88 2.96 -1.26 -2.06 118.68 135.19 126l s LEU 32 Ca 0.24 2.66 -0.17 0.00 -0.22 0.00 0.00 54.13 56.64 126l s LEU 32 Cb -0.16 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.80 126l s LEU 32 CO 0.13 -0.79 -0.05 0.18 -1.32 0.00 0.00 176.35 174.50 126l n LEU 33 N 3.25 1.87 -3.48 -0.68 4.77 0.05 -4.95 117.00 117.83 126l n LEU 33 Ca 0.11 0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 56.42 126l n LEU 33 Cb 0.39 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 126l n LEU 33 CO 0.61 0.11 0.54 0.28 -1.33 0.00 0.00 177.39 177.60 126l s THR 34 N -2.42 0.00 -1.35 -5.08 -1.32 -1.17 -4.94 115.64 99.37 126l s THR 34 Ca -0.28 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.44 126l s THR 34 Cb 0.07 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 126l s THR 34 CO 0.47 0.00 1.18 0.29 -2.21 0.00 0.00 174.62 174.35 126l n LYS 35 N -0.01 0.40 -2.15 7.08 5.02 -1.26 -3.28 118.16 123.95 126l n LYS 35 Ca -0.14 -0.30 -0.38 0.00 -2.02 0.00 0.00 58.31 55.48 126l n LYS 35 Cb 0.62 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.13 126l n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 126l s SER 36 N -2.81 6.05 0.00 4.39 0.15 -1.26 -4.89 113.70 115.34 126l s SER 36 Ca 0.14 2.43 0.19 0.00 0.70 0.00 0.00 55.95 59.41 126l s SER 36 Cb 0.17 -2.61 0.99 0.00 -1.71 0.00 0.00 66.02 62.86 126l s SER 36 CO 0.71 -1.01 1.60 -2.65 1.20 0.00 0.00 173.24 173.09 126l n PRO 37 N -0.47 0.29 -3.14 5.44 -0.02 -1.26 -4.74 135.00 131.10 126l n PRO 37 Ca 0.07 0.10 -0.40 0.00 -2.02 0.00 0.00 63.50 61.25 126l n PRO 37 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.39 126l n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 126l s SER 38 N -2.54 6.73 0.45 2.55 0.15 -1.26 -4.89 113.70 114.89 126l s SER 38 Ca 0.19 0.89 0.19 0.00 0.70 0.00 0.00 55.95 57.92 126l s SER 38 Cb 0.13 -2.35 1.07 0.00 -1.71 0.00 0.00 66.02 63.16 126l s SER 38 CO 0.29 -0.20 1.95 0.25 1.20 0.00 0.00 173.24 176.74 126l h LEU 39 N 7.68 0.00 -0.23 3.45 5.85 -2.00 -1.74 115.31 128.33 126l h LEU 39 Ca -0.35 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.16 126l h LEU 39 Cb 1.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 126l h LEU 39 CO 0.77 0.23 -0.91 0.78 -0.34 0.00 0.00 178.44 178.96 126l h ASN 40 N 0.00 0.42 0.29 1.25 2.35 -1.97 -1.51 115.58 116.41 126l h ASN 40 Ca -0.00 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.38 126l h ASN 40 Cb 0.47 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 126l h ASN 40 CO 0.03 1.13 -0.18 0.00 -1.65 0.00 0.00 177.43 176.76 126l h ALA 41 N 0.84 1.47 -0.10 -0.83 0.00 -1.73 -1.93 119.26 116.98 126l h ALA 41 Ca -0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 126l h ALA 41 Cb 1.54 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.31 126l h ALA 41 CO 0.15 0.22 -0.47 0.00 0.00 0.00 0.00 179.25 179.16 126l h ALA 42 N 1.82 0.19 -0.48 0.00 0.00 -0.94 -2.01 119.26 117.83 126l h ALA 42 Ca -0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 126l h ALA 42 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 126l h ALA 42 CO 0.02 0.35 0.02 0.87 0.00 0.00 0.00 179.25 180.52 126l h LYS 43 N 0.08 0.78 -0.10 0.00 1.57 -1.12 0.75 116.57 118.54 126l h LYS 43 Ca -0.03 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 126l h LYS 43 Cb 1.11 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 126l h LYS 43 CO 0.10 0.78 0.04 1.03 -0.57 0.00 0.00 179.45 180.82 126l h SER 44 N 0.74 0.13 -0.91 0.86 0.87 -1.33 0.70 113.55 114.61 126l h SER 44 Ca 0.15 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 126l h SER 44 Cb 0.42 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 126l h SER 44 CO 0.02 0.25 0.51 -0.33 -0.53 0.00 0.00 176.83 176.74 126l h GLU 45 N 0.01 1.27 -0.15 2.24 4.39 -1.10 -1.67 114.58 119.57 126l h GLU 45 Ca 0.03 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 126l h GLU 45 Cb 0.16 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 126l h GLU 45 CO -0.00 0.92 0.08 1.25 -1.16 0.00 0.00 179.01 180.10 126l h LEU 46 N 1.28 0.18 -1.03 1.33 5.85 -0.32 0.06 115.31 122.66 126l h LEU 46 Ca 0.32 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 126l h LEU 46 Cb 0.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 126l h LEU 46 CO -0.05 0.20 0.27 0.44 -0.34 0.00 0.00 178.44 178.96 126l h ASP 47 N 0.15 0.88 -0.56 1.25 3.32 -0.63 -1.34 116.42 119.49 126l h ASP 47 Ca 0.05 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 126l h ASP 47 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 126l h ASP 47 CO -0.01 0.78 0.22 0.50 -1.72 0.00 0.00 179.24 179.02 126l h LYS 48 N 0.95 0.84 -0.42 3.56 3.64 -1.04 0.18 116.57 124.28 126l h LYS 48 Ca 0.22 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 126l h LYS 48 Cb 0.17 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 126l h LYS 48 CO -0.02 0.72 -0.08 0.00 -2.27 0.00 0.00 179.45 177.80 126l h ALA 49 N 1.07 1.07 0.00 5.00 0.00 -0.30 -3.25 119.26 122.86 126l h ALA 49 Ca 0.19 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 126l h ALA 49 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 126l h ALA 49 CO -0.02 0.57 -1.56 -0.89 0.00 0.00 0.00 179.25 177.35 126l n ILE 50 N -4.18 1.14 -1.54 0.00 2.08 -0.57 -5.00 119.36 111.28 126l n ILE 50 Ca 0.02 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.63 126l n ILE 50 Cb 0.34 -0.67 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 126l n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 126l n GLY 51 N 1.43 0.53 3.65 7.39 0.00 0.61 -5.04 105.19 113.75 126l n GLY 51 Ca -0.12 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 126l n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 126l s ARG 52 N -3.17 1.41 -0.64 1.61 1.70 -1.08 -5.05 118.95 113.73 126l s ARG 52 Ca 0.00 -0.68 -0.27 0.00 -0.47 0.00 0.00 55.73 54.31 126l s ARG 52 Cb 0.00 0.55 0.03 0.00 -0.57 0.00 0.00 34.95 34.96 126l s ARG 52 CO 0.00 -0.63 1.20 1.21 -1.08 0.00 0.00 175.30 175.99 126l s ASN 53 N -2.81 6.33 0.08 -2.89 2.47 -1.26 -4.38 114.94 112.48 126l s ASN 53 Ca 0.07 -0.16 0.21 0.00 0.42 0.00 0.00 52.86 53.40 126l s ASN 53 Cb -0.03 -2.54 -0.14 0.00 -1.45 0.00 0.00 41.25 37.09 126l s ASN 53 CO -0.03 -1.59 0.78 0.35 -3.72 0.00 0.00 177.10 172.90 126l n THR 54 N 6.51 0.64 -3.07 -5.21 -2.24 -1.26 -4.96 114.28 104.69 126l n THR 54 Ca 0.06 -0.59 -0.22 0.00 -2.27 0.00 0.00 64.05 61.02 126l n THR 54 Cb 0.49 -0.35 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 126l n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 126l n ASN 55 N -2.62 -5.51 0.00 3.42 5.15 -1.26 -2.12 115.26 112.32 126l n ASN 55 Ca -0.05 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 126l n ASN 55 Cb 0.66 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.44 126l n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 126l n GLY 56 N -1.41 0.35 3.14 8.20 0.00 -1.26 -5.01 105.19 109.20 126l n GLY 56 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 126l n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 126l s VAL 57 N -1.71 1.23 0.28 1.61 1.01 -0.90 -2.42 120.40 119.49 126l s VAL 57 Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.32 126l s VAL 57 Cb 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 126l s VAL 57 CO 0.00 0.33 0.05 0.27 0.00 0.00 0.00 175.10 175.75 126l s ILE 58 N -0.39 0.94 0.48 2.22 -4.36 -0.42 -4.76 121.20 114.90 126l s ILE 58 Ca 0.06 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.47 126l s ILE 58 Cb -0.06 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 41.04 126l s ILE 58 CO -0.00 -0.09 0.68 0.42 0.24 0.00 0.00 174.94 176.19 126l s THR 59 N -3.48 3.21 0.20 8.37 -4.23 -1.26 -4.81 115.64 113.65 126l s THR 59 Ca 0.35 -0.71 -0.10 0.00 -1.18 0.00 0.00 61.69 60.05 126l s THR 59 Cb 0.08 -3.17 0.13 0.00 1.34 0.00 0.00 72.50 70.88 126l s THR 59 CO 0.13 -0.10 1.83 0.50 -0.54 0.00 0.00 174.62 176.44 126l h LYS 60 N 0.33 0.74 -0.67 3.99 3.64 -1.99 -0.76 116.57 121.86 126l h LYS 60 Ca -0.43 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.95 126l h LYS 60 Cb 1.28 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 126l h LYS 60 CO 0.52 0.49 0.39 -0.44 -2.27 0.00 0.00 179.45 178.14 126l h ASP 61 N 0.76 0.60 -0.49 4.20 3.32 -1.98 0.95 116.42 123.78 126l h ASP 61 Ca 0.28 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 126l h ASP 61 Cb 0.09 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 126l h ASP 61 CO -0.14 0.40 0.06 -0.33 -1.72 0.00 0.00 179.24 177.51 126l h GLU 62 N 0.73 0.83 -0.49 3.56 5.08 -1.81 -0.60 114.58 121.88 126l h GLU 62 Ca 0.29 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 126l h GLU 62 Cb 0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 126l h GLU 62 CO -0.16 0.84 0.32 0.00 -1.00 0.00 0.00 179.01 179.01 126l h ALA 63 N 0.96 0.63 0.00 3.43 0.00 -0.47 -1.83 119.26 121.97 126l h ALA 63 Ca 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 126l h ALA 63 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 126l h ALA 63 CO 0.01 0.05 -0.37 0.93 0.00 0.00 0.00 179.25 179.88 126l h GLU 64 N 0.65 0.00 -0.24 0.00 5.08 -0.65 -1.85 114.58 117.56 126l h GLU 64 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 126l h GLU 64 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 126l h GLU 64 CO -0.05 0.37 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.93 126l h LYS 65 N 0.00 0.55 -0.58 2.33 3.64 -0.61 -0.68 116.57 121.23 126l h LYS 65 Ca -0.00 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 126l h LYS 65 Cb 0.66 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 126l h LYS 65 CO 0.05 0.84 0.27 -0.07 -2.27 0.00 0.00 179.45 178.27 126l h LEU 66 N 0.26 0.74 -0.27 5.20 3.38 -1.20 -2.06 115.31 121.36 126l h LEU 66 Ca 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 126l h LEU 66 Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 126l h LEU 66 CO 0.05 0.63 0.09 0.15 0.09 0.00 0.00 178.44 179.45 126l h PHE 67 N 0.82 0.43 -0.79 1.13 3.57 -1.06 0.89 116.94 121.92 126l h PHE 67 Ca 0.20 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 126l h PHE 67 Cb 0.10 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 126l h PHE 67 CO 0.01 0.45 0.45 -0.91 -2.23 0.00 0.00 178.31 176.09 126l h ASN 68 N 0.28 0.96 -0.61 0.41 2.35 -0.76 -1.08 115.58 117.14 126l h ASN 68 Ca 0.09 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 126l h ASN 68 Cb 0.22 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 126l h ASN 68 CO -0.00 0.76 0.01 1.56 -1.65 0.00 0.00 177.43 178.10 126l h GLN 69 N 1.10 1.07 -0.37 0.81 4.20 -0.87 -2.04 115.11 119.01 126l h GLN 69 Ca 0.28 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 126l h GLN 69 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 126l h GLN 69 CO -0.05 1.04 -0.21 -0.44 -0.67 0.00 0.00 178.83 178.50 126l h ASP 70 N 0.98 0.72 -0.16 1.46 3.32 -0.22 -0.66 116.42 121.87 126l h ASP 70 Ca 0.17 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 126l h ASP 70 Cb 0.55 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 126l h ASP 70 CO 0.03 0.92 -0.13 0.58 -1.72 0.00 0.00 179.24 178.92 126l h VAL 71 N 0.63 1.34 -0.52 -1.35 2.07 -1.20 -0.91 116.25 116.31 126l h VAL 71 Ca 0.09 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.41 126l h VAL 71 Cb 0.70 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 126l h VAL 71 CO 0.05 0.37 0.24 -0.78 0.02 0.00 0.00 177.57 177.47 126l h ASP 72 N 0.01 0.32 -0.79 0.57 3.58 -1.28 -0.34 116.42 118.47 126l h ASP 72 Ca 0.03 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 126l h ASP 72 Cb 0.64 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.64 126l h ASP 72 CO 0.03 0.22 0.40 0.00 -2.88 0.00 0.00 179.24 177.01 126l h ALA 73 N 1.30 1.02 0.23 -0.78 0.00 -1.01 -0.92 119.26 119.10 126l h ALA 73 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 126l h ALA 73 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 126l h ALA 73 CO -0.19 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.51 126l h ALA 74 N 1.21 -0.31 -0.22 0.00 0.00 -0.21 0.18 119.26 119.90 126l h ALA 74 Ca 0.27 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.17 126l h ALA 74 Cb 0.08 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 126l h ALA 74 CO -0.04 -0.67 -0.10 0.28 0.00 0.00 0.00 179.25 178.72 126l h VAL 75 N -0.31 0.68 -0.49 0.00 2.07 -0.90 -1.44 116.25 115.86 126l h VAL 75 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 126l h VAL 75 Cb 0.24 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 126l h VAL 75 CO 0.05 0.00 0.16 0.03 0.02 0.00 0.00 177.57 177.83 126l h ARG 76 N -0.07 0.72 -0.47 1.57 2.47 -1.02 -1.77 114.38 115.81 126l h ARG 76 Ca 0.12 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.69 126l h ARG 76 Cb 0.24 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 126l h ARG 76 CO -0.27 0.62 0.15 0.78 0.56 0.00 0.00 179.97 181.81 126l h GLY 77 N 0.87 0.78 0.67 0.04 0.00 -0.11 -1.54 103.07 103.78 126l h GLY 77 Ca 0.17 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.07 126l h GLY 77 CO -0.01 0.43 0.03 -2.22 0.00 0.00 0.00 176.54 174.77 126l h ILE 78 N 0.63 0.86 0.00 2.60 2.04 -0.89 -2.03 117.51 120.71 126l h ILE 78 Ca 0.15 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 126l h ILE 78 Cb 0.26 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 126l h ILE 78 CO -0.01 0.02 -0.09 -0.07 0.00 0.00 0.00 178.15 178.01 126l h LEU 79 N 0.12 0.00 0.00 1.44 3.38 -1.08 -1.93 115.31 117.25 126l h LEU 79 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 126l h LEU 79 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 126l h LEU 79 CO -0.17 0.09 -0.89 0.54 0.09 0.00 0.00 178.44 178.09 126l n ARG 80 N -3.42 0.31 -3.09 1.13 1.74 -0.60 -4.81 116.66 107.92 126l n ARG 80 Ca -0.01 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 126l n ARG 80 Cb 0.25 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 126l n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 126l s ASN 81 N -4.10 6.74 0.46 0.55 3.84 -0.75 -4.95 114.94 116.73 126l s ASN 81 Ca 0.04 0.90 0.11 0.00 0.21 0.00 0.00 52.86 54.12 126l s ASN 81 Cb 0.14 -2.36 1.05 0.00 -0.55 0.00 0.00 41.25 39.52 126l s ASN 81 CO 0.77 -0.28 2.10 0.00 -2.79 0.00 0.00 177.10 176.90 126l h ALA 82 N 7.41 1.84 0.17 1.71 0.00 -1.90 -0.10 119.26 128.38 126l h ALA 82 Ca -0.32 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 126l h ALA 82 Cb 1.14 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.86 126l h ALA 82 CO 0.78 0.15 -1.45 0.87 0.00 0.00 0.00 179.25 179.60 126l h LYS 83 N 0.29 0.36 0.20 0.00 6.56 -1.92 -3.39 116.57 118.67 126l h LYS 83 Ca 0.08 -0.62 -0.34 0.00 -1.06 0.00 0.00 60.65 58.71 126l h LYS 83 Cb -0.02 0.23 0.02 0.00 -0.57 0.00 0.00 32.23 31.89 126l h LYS 83 CO -0.02 1.27 -1.61 -0.07 -2.06 0.00 0.00 179.45 176.97 126l h LEU 84 N 0.10 0.67 -0.38 2.94 3.38 -1.76 -3.38 115.31 116.88 126l h LEU 84 Ca -0.22 -0.86 0.07 0.00 0.09 0.00 0.00 57.88 56.96 126l h LEU 84 Cb 2.06 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.53 126l h LEU 84 CO 0.21 1.70 -0.02 0.50 0.09 0.00 0.00 178.44 180.92 126l h LYS 85 N 0.12 0.08 -0.26 1.13 3.64 -0.74 -1.18 116.57 119.36 126l h LYS 85 Ca -0.29 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 126l h LYS 85 Cb 2.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.90 126l h LYS 85 CO 0.21 0.05 0.02 -1.00 -2.27 0.00 0.00 179.45 176.47 126l h PRO 86 N 0.08 0.37 0.15 1.90 0.13 -1.77 -0.93 132.00 131.92 126l h PRO 86 Ca 0.19 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 126l h PRO 86 Cb 0.27 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.34 126l h PRO 86 CO -0.33 0.38 -0.07 0.28 -0.23 0.00 0.00 178.00 178.03 126l h VAL 87 N 0.37 0.98 -0.53 1.56 2.07 -1.52 -2.53 116.25 116.65 126l h VAL 87 Ca 0.09 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.12 126l h VAL 87 Cb 0.21 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 126l h VAL 87 CO 0.00 0.13 0.18 0.22 0.02 0.00 0.00 177.57 178.13 126l h TYR 88 N -0.47 0.32 -0.28 1.57 5.03 -1.04 -1.97 116.97 120.14 126l h TYR 88 Ca -0.02 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 126l h TYR 88 Cb 0.37 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 126l h TYR 88 CO 0.01 0.09 0.09 -0.44 -1.32 0.00 0.00 178.16 176.59 126l h ASP 89 N 0.36 0.35 1.48 -2.11 3.32 -1.14 -2.01 116.42 116.67 126l h ASP 89 Ca 0.26 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.28 126l h ASP 89 Cb 0.30 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.76 126l h ASP 89 CO -0.27 0.34 0.00 0.77 -1.72 0.00 0.00 179.24 178.36 126l h SER 90 N 0.39 0.00 -3.22 6.45 4.64 -0.91 -3.47 113.55 117.43 126l h SER 90 Ca 0.10 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.94 126l h SER 90 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.24 126l h SER 90 CO -0.01 0.00 0.02 -0.76 -0.87 0.00 0.00 176.83 175.21 126l s LEU 91 N -5.91 3.60 0.84 5.97 1.43 -0.76 -5.06 118.68 118.79 126l s LEU 91 Ca 0.05 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.64 126l s LEU 91 Cb 0.08 -3.50 0.10 0.00 0.03 0.00 0.00 46.19 42.90 126l s LEU 91 CO 0.59 -0.69 1.17 1.51 0.23 0.00 0.00 176.35 179.16 126l s ASP 92 N -4.18 4.17 0.30 2.29 -4.77 -1.26 -4.79 116.67 108.43 126l s ASP 92 Ca 0.48 0.82 -0.01 0.00 -3.30 0.00 0.00 52.55 50.55 126l s ASP 92 Cb -0.10 -1.33 0.47 0.00 -1.09 0.00 0.00 42.92 40.87 126l s ASP 92 CO 0.41 -2.12 1.91 0.00 0.70 0.00 0.00 175.17 176.07 126l h ALA 93 N -1.21 1.35 -0.04 2.11 0.00 -1.97 -0.95 119.26 118.56 126l h ALA 93 Ca -0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 126l h ALA 93 Cb 1.33 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 126l h ALA 93 CO 0.64 0.51 -0.01 0.28 0.00 0.00 0.00 179.25 180.67 126l h VAL 94 N 0.91 1.29 0.00 0.00 2.07 -1.93 -2.80 116.25 115.78 126l h VAL 94 Ca 0.23 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 126l h VAL 94 Cb 0.07 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 126l h VAL 94 CO -0.03 0.24 -0.28 0.03 0.02 0.00 0.00 177.57 177.55 126l h ARG 95 N -0.28 0.00 -0.87 1.57 3.08 -1.79 -2.12 114.38 113.98 126l h ARG 95 Ca 0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.11 126l h ARG 95 Cb 0.39 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 126l h ARG 95 CO 0.00 0.28 0.55 0.00 -1.07 0.00 0.00 179.97 179.73 126l h ARG 96 N 0.00 1.00 -0.75 0.04 3.08 -1.01 -1.71 114.38 115.03 126l h ARG 96 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 126l h ARG 96 Cb 0.53 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 126l h ARG 96 CO 0.04 0.66 0.41 0.00 -1.07 0.00 0.00 179.97 180.00 126l h ALA 97 N 1.39 1.30 -0.59 0.04 0.00 -1.13 -0.44 119.26 119.84 126l h ALA 97 Ca 0.36 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 126l h ALA 97 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 126l h ALA 97 CO -0.15 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.73 126l h ALA 98 N 1.40 1.00 -0.44 0.00 0.00 -1.12 -0.62 119.26 119.48 126l h ALA 98 Ca 0.27 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 126l h ALA 98 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 126l h ALA 98 CO -0.04 0.63 -0.20 1.25 0.00 0.00 0.00 179.25 180.88 126l h LEU 99 N 0.91 0.88 -0.68 0.00 5.85 -0.71 -1.91 115.31 119.66 126l h LEU 99 Ca 0.18 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 126l h LEU 99 Cb 0.44 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 126l h LEU 99 CO 0.02 1.06 0.31 0.40 -0.34 0.00 0.00 178.44 179.88 126l h ILE 100 N 0.76 1.23 -0.41 4.05 2.04 -0.66 -1.20 117.51 123.32 126l h ILE 100 Ca 0.11 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.31 126l h ILE 100 Cb 0.74 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 126l h ILE 100 CO 0.06 0.28 0.21 -1.13 0.00 0.00 0.00 178.15 177.56 126l h ASN 101 N 0.96 0.30 -0.77 1.72 -0.73 -0.89 0.36 115.58 116.53 126l h ASN 101 Ca 0.23 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.38 126l h ASN 101 Cb 0.15 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 126l h ASN 101 CO -0.03 0.22 0.33 0.24 -0.37 0.00 0.00 177.43 177.82 126l h MET 102 N 0.42 1.13 -0.58 6.67 2.86 -1.06 -1.26 114.93 123.11 126l h MET 102 Ca 0.18 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 126l h MET 102 Cb 0.08 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 126l h MET 102 CO -0.12 0.91 -0.01 0.28 1.06 0.00 0.00 176.91 179.02 126l h VAL 103 N 1.10 1.26 -0.81 -2.22 2.07 -0.17 0.04 116.25 117.53 126l h VAL 103 Ca 0.26 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.64 126l h VAL 103 Cb 0.18 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 126l h VAL 103 CO -0.03 0.41 0.53 0.15 0.02 0.00 0.00 177.57 178.66 126l h PHE 104 N 0.93 1.02 -0.08 1.57 3.04 0.09 0.78 116.94 124.30 126l h PHE 104 Ca 0.17 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 126l h PHE 104 Cb 0.56 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.72 126l h PHE 104 CO 0.04 0.65 -0.16 0.37 -2.02 0.00 0.00 178.31 177.18 126l h GLN 105 N 1.09 0.25 -0.02 1.11 4.15 -0.90 -3.38 115.11 117.41 126l h GLN 105 Ca 0.29 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.55 126l h GLN 105 Cb -0.12 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.59 126l h GLN 105 CO -0.06 0.75 0.00 0.00 -1.93 0.00 0.00 178.83 177.59 126l n MET 106 N -4.59 1.07 -0.20 1.69 0.00 -0.03 -5.10 117.12 109.96 126l n MET 106 Ca -0.08 -1.07 0.01 0.00 0.00 0.00 0.00 57.70 56.57 126l n MET 106 Cb 0.39 -1.03 -0.01 0.00 0.00 0.00 0.00 33.22 32.57 126l n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 126l n GLY 107 N -0.14 -2.82 0.37 3.17 0.00 0.26 -3.83 105.19 102.20 126l n GLY 107 Ca 0.01 -1.33 0.01 0.00 0.00 0.00 0.00 46.02 44.71 126l n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 126l h GLU 108 N -0.11 1.20 -0.39 1.61 4.81 -1.92 -1.80 114.58 117.98 126l h GLU 108 Ca -0.02 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 126l h GLU 108 Cb 0.17 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 126l h GLU 108 CO 0.01 0.79 0.06 1.15 -0.73 0.00 0.00 179.01 180.29 126l h THR 109 N 1.24 1.24 0.18 0.32 2.02 -1.97 -1.00 112.91 114.94 126l h THR 109 Ca 0.41 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.74 126l h THR 109 Cb 0.06 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 126l h THR 109 CO -0.14 0.29 -0.34 1.23 0.37 0.00 0.00 175.52 176.93 126l h GLY 110 N 0.50 -0.69 0.95 2.16 0.00 -1.52 -2.49 103.07 101.98 126l h GLY 110 Ca 0.12 0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.86 126l h GLY 110 CO 0.01 -0.26 0.32 -2.08 0.00 0.00 0.00 176.54 174.53 126l h VAL 111 N -0.60 1.09 -0.10 4.60 2.07 -1.22 -1.80 116.25 120.28 126l h VAL 111 Ca 0.02 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.34 126l h VAL 111 Cb 0.61 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 126l h VAL 111 CO -0.16 0.12 0.17 0.00 0.02 0.00 0.00 177.57 177.71 126l h ALA 112 N 1.20 1.55 0.00 1.67 0.00 -1.05 0.11 119.26 122.74 126l h ALA 112 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 126l h ALA 112 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 126l h ALA 112 CO -0.06 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.37 126l n GLY 113 N -1.30 -1.25 2.37 0.00 0.00 -0.68 -3.88 105.19 100.45 126l n GLY 113 Ca -0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 126l n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 126l n PHE 114 N -1.71 1.54 -0.29 1.61 3.01 0.37 -4.75 117.46 117.25 126l n PHE 114 Ca 0.04 -2.13 -0.02 0.00 1.01 0.00 0.00 57.45 56.35 126l n PHE 114 Cb 0.25 -1.62 0.04 0.00 -0.01 0.00 0.00 39.48 38.14 126l n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 126l h THR 115 N 2.21 0.11 -0.47 4.37 2.02 -1.81 -0.58 112.91 118.75 126l h THR 115 Ca 0.46 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.56 126l h THR 115 Cb 0.76 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 126l h THR 115 CO 0.94 0.00 0.00 0.78 0.37 0.00 0.00 175.52 177.62 126l h ASN 116 N -0.07 0.81 -0.27 4.18 2.35 -1.95 -2.60 115.58 118.04 126l h ASN 116 Ca 0.31 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 126l h ASN 116 Cb 0.58 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 126l h ASN 116 CO -0.83 0.92 0.15 0.28 -1.65 0.00 0.00 177.43 176.30 126l h SER 117 N 0.68 0.33 -0.90 5.81 0.02 -1.77 -2.01 113.55 115.72 126l h SER 117 Ca 0.13 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 126l h SER 117 Cb 0.50 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 126l h SER 117 CO 0.02 0.31 0.57 -0.07 -1.14 0.00 0.00 176.83 176.52 126l h LEU 118 N 0.32 0.90 -0.59 5.07 3.38 -1.11 0.21 115.31 123.49 126l h LEU 118 Ca 0.09 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 126l h LEU 118 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 126l h LEU 118 CO -0.02 0.58 0.10 -0.09 0.09 0.00 0.00 178.44 179.10 126l h ARG 119 N 1.03 0.98 -0.52 1.13 2.43 -1.30 -0.78 114.38 117.35 126l h ARG 119 Ca 0.39 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 126l h ARG 119 Cb 0.16 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 126l h ARG 119 CO -0.17 0.93 -0.13 0.52 -1.51 0.00 0.00 179.97 179.61 126l h MET 120 N 0.88 0.99 -0.38 0.20 2.86 -0.62 -0.50 114.93 118.36 126l h MET 120 Ca 0.18 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 126l h MET 120 Cb 0.42 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 126l h MET 120 CO 0.01 1.05 0.07 -0.07 1.06 0.00 0.00 176.91 179.03 126l h LEU 121 N 0.88 0.60 -1.58 1.22 3.38 -0.27 -1.49 115.31 118.05 126l h LEU 121 Ca 0.13 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.92 126l h LEU 121 Cb 0.69 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 126l h LEU 121 CO 0.05 0.70 0.39 -0.61 0.09 0.00 0.00 178.44 179.06 126l h GLN 122 N 0.48 0.48 -0.00 1.13 4.15 -0.88 0.23 115.11 120.70 126l h GLN 122 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 126l h GLN 122 Cb 0.35 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.93 126l h GLN 122 CO 0.01 0.32 -0.06 1.04 -1.93 0.00 0.00 178.83 178.20 126l n GLN 123 N -4.47 0.73 -2.54 1.69 6.02 -0.22 -4.91 117.38 113.68 126l n GLN 123 Ca 0.08 -0.18 -0.15 0.00 -0.01 0.00 0.00 57.00 56.74 126l n GLN 123 Cb 0.28 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.05 126l n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 126l n LYS 124 N -0.98 -2.31 -3.20 -1.09 5.02 0.80 -4.94 118.16 111.45 126l n LYS 124 Ca 0.16 0.67 -0.44 0.00 -2.02 0.00 0.00 58.31 56.68 126l n LYS 124 Cb 0.25 -4.97 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 126l n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 126l n ARG 125 N -2.72 3.68 0.08 1.97 1.74 -0.64 -4.90 116.66 115.87 126l n ARG 125 Ca -0.13 -4.37 -0.12 0.00 -0.77 0.00 0.00 57.85 52.47 126l n ARG 125 Cb 0.61 -2.62 -0.05 0.00 -1.02 0.00 0.00 32.46 29.37 126l n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 126l h TRP 126 N 6.48 -0.38 -0.85 -1.55 -0.00 -1.90 -0.51 115.95 117.25 126l h TRP 126 Ca 0.21 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 59.08 126l h TRP 126 Cb 0.82 0.16 -0.04 0.00 -0.00 0.00 0.00 29.16 30.10 126l h TRP 126 CO 0.85 -0.22 0.43 -0.44 -0.00 0.00 0.00 178.44 179.06 126l h ASP 127 N -0.28 1.09 -0.48 -3.49 5.19 -1.90 -1.25 116.42 115.30 126l h ASP 127 Ca 0.03 -0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 56.20 126l h ASP 127 Cb 0.31 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 126l h ASP 127 CO -0.10 0.90 -0.17 -0.33 -3.12 0.00 0.00 179.24 176.43 126l h GLU 128 N 1.20 0.95 -0.80 3.56 5.08 -1.92 -2.13 114.58 120.53 126l h GLU 128 Ca 0.29 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 126l h GLU 128 Cb 0.09 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 126l h GLU 128 CO -0.04 1.06 0.33 0.00 -1.00 0.00 0.00 179.01 179.36 126l h ALA 129 N 0.87 1.04 -0.77 3.43 0.00 -0.85 -1.97 119.26 121.01 126l h ALA 129 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 126l h ALA 129 Cb 0.74 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 126l h ALA 129 CO 0.06 0.66 0.35 0.00 0.00 0.00 0.00 179.25 180.32 126l h ALA 130 N 1.18 1.18 -0.20 0.00 0.00 -0.96 0.14 119.26 120.60 126l h ALA 130 Ca 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 126l h ALA 130 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 126l h ALA 130 CO -0.02 0.62 0.01 0.28 0.00 0.00 0.00 179.25 180.14 126l h VAL 131 N 1.09 1.24 -0.48 0.00 2.07 -1.09 -2.92 116.25 116.17 126l h VAL 131 Ca 0.26 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 126l h VAL 131 Cb 0.13 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 126l h VAL 131 CO -0.03 0.25 -0.04 -1.13 0.02 0.00 0.00 177.57 176.64 126l h ASN 132 N 0.11 0.81 -0.55 0.57 -0.73 -1.02 -2.89 115.58 111.87 126l h ASN 132 Ca 0.06 -0.22 0.01 0.00 1.87 0.00 0.00 56.30 58.02 126l h ASN 132 Cb 0.36 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 126l h ASN 132 CO 0.01 0.90 0.37 -0.07 -0.37 0.00 0.00 177.43 178.26 126l h LEU 133 N 0.76 0.61 -1.24 0.34 3.38 -0.67 -2.46 115.31 116.03 126l h LEU 133 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 126l h LEU 133 Cb 0.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 126l h LEU 133 CO 0.03 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.00 126l h ALA 134 N 1.66 1.00 -0.76 1.53 0.00 -1.31 -3.35 119.26 118.03 126l h ALA 134 Ca 0.21 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.37 126l h ALA 134 Cb -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.61 126l h ALA 134 CO -0.05 0.00 2.21 1.63 0.00 0.00 0.00 179.25 183.04 126l n LYS 135 N -3.02 3.53 -3.64 0.00 5.02 -0.93 -4.63 118.16 114.50 126l n LYS 135 Ca 0.01 -3.38 -0.13 0.00 -2.02 0.00 0.00 58.31 52.79 126l n LYS 135 Cb 0.32 -2.97 -0.06 0.00 -0.02 0.00 0.00 35.03 32.30 126l n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 126l s SER 136 N 1.18 -0.33 0.32 4.39 1.04 -1.26 -5.01 113.70 114.03 126l s SER 136 Ca 0.41 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.91 126l s SER 136 Cb 0.11 0.45 0.59 0.00 0.10 0.00 0.00 66.02 67.26 126l s SER 136 CO -0.01 -0.69 1.91 -0.09 0.98 0.00 0.00 173.24 175.34 126l h ARG 137 N 2.93 0.92 -0.25 4.02 2.43 -1.93 -1.83 114.38 120.67 126l h ARG 137 Ca -0.31 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 58.87 126l h ARG 137 Cb 1.21 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.48 126l h ARG 137 CO 0.43 0.61 -0.26 2.35 -1.51 0.00 0.00 179.97 181.59 126l h TRP 138 N 0.95 -0.70 -0.46 2.20 7.01 -1.94 0.31 115.95 123.32 126l h TRP 138 Ca 0.39 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.36 126l h TRP 138 Cb 0.27 0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 126l h TRP 138 CO -0.00 -0.34 0.01 -0.92 -2.79 0.00 0.00 178.44 174.40 126l h TYR 139 N -0.27 0.87 -0.32 2.65 3.20 -1.73 -1.76 116.97 119.61 126l h TYR 139 Ca 0.14 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 126l h TYR 139 Cb 0.48 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 126l h TYR 139 CO -0.42 0.84 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.91 126l h ASN 140 N 0.65 0.53 0.22 -2.11 4.21 -0.61 -2.36 115.58 116.10 126l h ASN 140 Ca 0.13 -0.14 -0.29 0.00 1.21 0.00 0.00 56.30 57.21 126l h ASN 140 Cb 0.48 -0.14 0.03 0.00 -1.12 0.00 0.00 38.32 37.57 126l h ASN 140 CO 0.02 0.69 -1.29 1.56 -1.29 0.00 0.00 177.43 177.12 126l h GLN 141 N 0.50 0.46 -2.12 0.81 1.08 -0.30 -3.39 115.11 112.15 126l h GLN 141 Ca 0.09 -0.78 -0.58 0.00 -1.45 0.00 0.00 58.65 55.93 126l h GLN 141 Cb 0.51 0.29 -0.41 0.00 -0.05 0.00 0.00 27.48 27.83 126l h GLN 141 CO 0.03 1.37 -0.83 0.25 -0.95 0.00 0.00 178.83 178.71 126l n THR 142 N -3.85 0.95 -0.28 -0.54 -2.24 -0.67 -4.99 114.28 102.67 126l n THR 142 Ca -0.17 -4.66 -0.05 0.00 -2.27 0.00 0.00 64.05 56.90 126l n THR 142 Cb 1.01 -2.03 0.06 0.00 -2.10 0.00 0.00 70.33 67.27 126l n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 126l h PRO 143 N 4.13 1.07 -0.38 -0.78 0.13 -1.63 -0.92 132.00 133.61 126l h PRO 143 Ca 0.14 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 126l h PRO 143 Cb 0.76 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 126l h PRO 143 CO 0.66 0.80 0.08 -0.91 -0.23 0.00 0.00 178.00 178.40 126l h ASN 144 N 1.05 0.59 -0.21 1.44 2.35 -1.94 0.56 115.58 119.42 126l h ASN 144 Ca 0.27 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 126l h ASN 144 Cb 0.05 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 126l h ASN 144 CO -0.04 0.68 -0.33 -0.09 -1.65 0.00 0.00 177.43 176.00 126l h ARG 145 N 0.47 0.60 -0.62 0.81 2.43 -1.97 -2.57 114.38 113.53 126l h ARG 145 Ca 0.12 -0.36 0.06 0.00 -0.81 0.00 0.00 59.98 58.99 126l h ARG 145 Cb 0.33 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 126l h ARG 145 CO 0.00 0.97 0.32 0.00 -1.51 0.00 0.00 179.97 179.75 126l h ALA 146 N 0.63 0.82 -0.93 2.80 0.00 -1.08 -1.96 119.26 119.54 126l h ALA 146 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 126l h ALA 146 Cb 0.91 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 126l h ALA 146 CO 0.08 -0.02 0.62 0.87 0.00 0.00 0.00 179.25 180.80 126l h LYS 147 N 0.60 1.21 -0.50 0.00 1.57 -0.82 0.26 116.57 118.90 126l h LYS 147 Ca 0.28 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 126l h LYS 147 Cb 0.19 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 126l h LYS 147 CO -0.19 0.80 0.24 0.00 -0.57 0.00 0.00 179.45 179.73 126l h ARG 148 N 1.24 0.71 -0.32 3.15 3.08 -1.01 0.71 114.38 121.95 126l h ARG 148 Ca 0.35 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 126l h ARG 148 Cb -0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 126l h ARG 148 CO -0.08 0.59 -0.12 1.15 -1.07 0.00 0.00 179.97 180.44 126l h THR 149 N 0.66 1.29 -0.49 2.04 2.02 -0.71 -2.30 112.91 115.41 126l h THR 149 Ca 0.17 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.18 126l h THR 149 Cb 0.11 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 126l h THR 149 CO -0.02 0.39 0.28 0.40 0.37 0.00 0.00 175.52 176.94 126l h ILE 150 N 0.42 1.02 -0.62 3.11 2.04 -0.39 -1.56 117.51 121.54 126l h ILE 150 Ca 0.08 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 126l h ILE 150 Cb 0.63 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 126l h ILE 150 CO 0.04 0.10 0.32 0.74 0.00 0.00 0.00 178.15 179.35 126l h THR 151 N 0.56 1.20 -0.55 -0.27 2.02 -0.79 0.35 112.91 115.42 126l h THR 151 Ca 0.20 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 126l h THR 151 Cb 0.05 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 126l h THR 151 CO -0.11 0.22 0.29 0.74 0.37 0.00 0.00 175.52 177.03 126l h THR 152 N 0.87 1.19 -0.61 3.16 2.02 -0.93 -0.18 112.91 118.42 126l h THR 152 Ca 0.22 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 126l h THR 152 Cb 0.05 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 126l h THR 152 CO -0.03 0.21 0.21 -0.26 0.37 0.00 0.00 175.52 176.02 126l h PHE 153 N 0.74 0.97 -0.46 3.16 0.04 -0.63 0.15 116.94 120.91 126l h PHE 153 Ca 0.19 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.79 126l h PHE 153 Cb 0.07 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 126l h PHE 153 CO -0.01 0.79 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.35 126l h ARG 154 N 0.87 0.84 0.00 1.51 2.43 -0.61 -3.35 114.38 116.07 126l h ARG 154 Ca 0.20 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 126l h ARG 154 Cb 0.26 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 126l h ARG 154 CO -0.01 0.92 -2.06 0.25 -1.51 0.00 0.00 179.97 177.56 126l n THR 155 N -4.32 0.38 -1.30 0.20 -2.24 -0.11 -4.79 114.28 102.11 126l n THR 155 Ca 0.00 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 126l n THR 155 Cb 0.34 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 126l n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 126l n GLY 156 N 1.46 1.15 3.51 3.38 0.00 0.51 -4.99 105.19 110.20 126l n GLY 156 Ca -0.12 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 126l n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 126l s THR 157 N -2.32 1.09 -1.20 2.61 -4.23 -1.26 -4.81 115.64 105.52 126l s THR 157 Ca 0.00 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 126l s THR 157 Cb 0.00 -2.64 0.52 0.00 1.34 0.00 0.00 72.50 71.72 126l s THR 157 CO 0.00 0.00 1.38 0.79 -0.54 0.00 0.00 174.62 176.25 126l n TRP 158 N -0.81 1.11 -0.35 3.99 7.02 -1.26 -4.57 117.44 122.56 126l n TRP 158 Ca -0.05 -0.43 0.18 0.00 -1.02 0.00 0.00 57.50 56.17 126l n TRP 158 Cb 0.66 -0.21 0.39 0.00 -2.42 0.00 0.00 31.31 29.73 126l n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 126l h ASP 159 N 2.94 0.68 0.58 -0.99 3.32 -1.96 0.18 116.42 121.17 126l h ASP 159 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 126l h ASP 159 Cb 1.14 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.72 126l h ASP 159 CO 0.18 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 126l h ALA 160 N 1.73 1.00 -0.19 3.45 0.00 -1.89 -2.39 119.26 120.98 126l h ALA 160 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 126l h ALA 160 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 126l h ALA 160 CO -0.47 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.44 126l n TYR 161 N -2.34 0.23 0.38 0.00 4.02 0.04 -4.96 117.16 114.53 126l n TYR 161 Ca 0.01 -0.18 0.05 0.00 -0.01 0.00 0.00 57.90 57.77 126l n TYR 161 Cb 0.19 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.54 126l n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48