#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gds s HIS 2 N 0.00 2.66 -0.02 2.13 3.76 -1.26 -5.13 115.29 117.43 2gds s HIS 2 Ca 0.00 -0.46 -0.18 0.00 -0.15 0.00 0.00 55.06 54.27 2gds s HIS 2 Cb 0.00 -2.30 0.03 0.00 1.11 0.00 0.00 32.58 31.42 2gds s HIS 2 CO 0.00 -0.39 0.39 -1.54 -0.85 0.00 0.00 174.74 172.35 2gds s SER 3 N -4.31 -0.29 -0.33 1.40 1.04 -1.26 -4.93 113.70 105.02 2gds s SER 3 Ca 0.53 0.21 -0.27 0.00 0.48 0.00 0.00 55.95 56.90 2gds s SER 3 Cb -0.08 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 2gds s SER 3 CO 0.32 -0.49 2.26 -0.22 0.98 0.00 0.00 173.24 176.09 2gds s LEU 4 N -1.34 3.42 0.37 2.42 2.96 -1.26 -4.93 118.68 120.32 2gds s LEU 4 Ca -0.13 1.54 -0.28 0.00 -0.22 0.00 0.00 54.13 55.05 2gds s LEU 4 Cb -0.04 -3.14 -0.10 0.00 0.50 0.00 0.00 46.19 43.41 2gds s LEU 4 CO 0.05 -2.29 1.39 -2.16 -1.32 0.00 0.00 176.35 172.02 2gds s PRO 5 N 7.02 4.13 0.24 0.98 0.04 -1.26 -4.93 135.00 141.23 2gds s PRO 5 Ca 0.98 2.38 -0.30 0.00 0.04 0.00 0.00 61.00 64.10 2gds s PRO 5 Cb -0.26 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 2gds s PRO 5 CO 0.31 -0.44 1.33 -0.51 0.04 0.00 0.00 177.00 177.74 2gds s ASP 6 N -0.38 6.84 0.29 6.66 1.11 -1.26 -4.96 116.67 124.97 2gds s ASP 6 Ca 0.53 2.51 -0.30 0.00 0.18 0.00 0.00 52.55 55.47 2gds s ASP 6 Cb -0.43 -2.62 -0.10 0.00 1.07 0.00 0.00 42.92 40.84 2gds s ASP 6 CO 0.57 -0.55 1.45 -0.22 1.18 0.00 0.00 175.17 177.60 2gds s LEU 7 N -0.58 4.38 0.00 1.23 2.96 -1.26 -4.89 118.68 120.51 2gds s LEU 7 Ca 0.55 2.77 0.15 0.00 -0.22 0.00 0.00 54.13 57.38 2gds s LEU 7 Cb -0.38 -3.64 0.88 0.00 0.50 0.00 0.00 46.19 43.55 2gds s LEU 7 CO 0.42 -0.73 1.33 -0.81 -1.32 0.00 0.00 176.35 175.24 2gds n PRO 8 N 1.79 0.62 -3.67 0.98 -0.04 -1.26 -4.81 135.00 128.62 2gds n PRO 8 Ca 0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 2gds n PRO 8 Cb 0.40 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2gds n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2gds s TYR 9 N -2.00 -0.25 0.45 0.54 1.13 -1.26 -5.10 117.35 110.86 2gds s TYR 9 Ca 0.22 -0.08 -0.21 0.00 -1.41 0.00 0.00 57.07 55.59 2gds s TYR 9 Cb 0.10 0.49 -0.10 0.00 -1.10 0.00 0.00 41.96 41.35 2gds s TYR 9 CO 0.17 -0.95 1.00 0.16 -2.51 0.00 0.00 175.55 173.42 2gds s ASP 10 N -2.85 6.67 0.56 -0.18 1.47 -1.26 -4.92 116.67 116.16 2gds s ASP 10 Ca 0.07 1.84 0.46 0.00 1.18 0.00 0.00 52.55 56.11 2gds s ASP 10 Cb -0.02 -2.56 1.65 0.00 -0.34 0.00 0.00 42.92 41.66 2gds s ASP 10 CO -0.04 -0.55 1.60 1.88 0.68 0.00 0.00 175.17 178.74 2gds h TYR 11 N 1.88 0.00 -0.73 2.11 0.05 -1.93 0.33 116.97 118.69 2gds h TYR 11 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2gds h TYR 11 Cb 1.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.94 2gds h TYR 11 CO 0.59 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.11 2gds n GLY 12 N -1.88 2.40 0.00 3.88 0.00 -1.26 -3.95 105.19 104.38 2gds n GLY 12 Ca 0.39 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.75 2gds n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gds n ALA 13 N 1.62 2.27 -0.02 4.61 0.00 0.12 -3.13 120.51 125.97 2gds n ALA 13 Ca 0.24 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.62 2gds n ALA 13 Cb 0.61 -1.41 0.12 0.00 0.00 0.00 0.00 19.45 18.77 2gds n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gds n LEU 14 N -1.29 2.62 -4.77 0.00 4.77 -1.26 -4.03 117.00 113.03 2gds n LEU 14 Ca 0.12 -1.76 -0.35 0.00 -0.03 0.00 0.00 56.01 53.98 2gds n LEU 14 Cb 0.20 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2gds n LEU 14 CO 0.19 0.63 0.79 -1.61 -1.33 0.00 0.00 177.39 176.06 2gds s GLU 15 N -0.97 3.47 0.00 3.23 0.41 -1.18 -1.04 118.70 122.63 2gds s GLU 15 Ca 0.19 1.64 0.18 0.00 -0.41 0.00 0.00 54.97 56.57 2gds s GLU 15 Cb 0.11 -2.11 0.77 0.00 -1.78 0.00 0.00 34.13 31.12 2gds s GLU 15 CO 0.14 -0.76 1.54 -0.35 -0.49 0.00 0.00 175.26 175.34 2gds n PRO 16 N -1.09 1.48 0.12 0.39 -0.04 -1.26 -4.86 135.00 129.74 2gds n PRO 16 Ca 0.10 -0.72 -0.13 0.00 -0.04 0.00 0.00 63.50 62.71 2gds n PRO 16 Cb 0.50 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 2gds n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gds h HIS 17 N 1.41 -0.30 -3.51 0.54 3.86 -1.68 -3.41 115.15 112.07 2gds h HIS 17 Ca 0.00 -0.01 -0.58 0.00 -1.16 0.00 0.00 60.37 58.62 2gds h HIS 17 Cb 0.31 0.10 -0.38 0.00 1.06 0.00 0.00 27.41 28.49 2gds h HIS 17 CO 0.08 0.05 -0.78 0.42 0.86 0.00 0.00 177.93 178.55 2gds s ILE 18 N -4.63 1.28 1.10 2.45 1.01 -0.20 -4.84 121.20 117.36 2gds s ILE 18 Ca -0.14 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.36 2gds s ILE 18 Cb 0.02 -1.57 0.18 0.00 0.01 0.00 0.00 42.46 41.10 2gds s ILE 18 CO 0.57 -0.08 0.58 -0.46 0.00 0.00 0.00 174.94 175.55 2gds n ASN 19 N 4.78 -1.80 0.25 3.58 0.23 -1.26 -3.30 115.26 117.73 2gds n ASN 19 Ca -0.12 -0.02 0.13 0.00 -0.53 0.00 0.00 54.58 54.04 2gds n ASN 19 Cb 0.45 -1.17 0.55 0.00 -2.08 0.00 0.00 39.78 37.54 2gds n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gds h ALA 20 N -2.24 1.03 0.22 -2.53 0.00 -1.90 -3.00 119.26 110.83 2gds h ALA 20 Ca -0.55 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 53.95 2gds h ALA 20 Cb 1.33 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.13 2gds h ALA 20 CO 0.42 0.16 -1.33 0.37 0.00 0.00 0.00 179.25 178.88 2gds h GLN 21 N 0.00 0.47 -0.09 0.00 4.15 -1.91 -2.17 115.11 115.55 2gds h GLN 21 Ca -0.00 -0.80 -0.00 0.00 0.77 0.00 0.00 58.65 58.62 2gds h GLN 21 Cb 0.64 0.30 -0.00 0.00 0.21 0.00 0.00 27.48 28.63 2gds h GLN 21 CO 0.02 1.38 0.05 0.82 -1.93 0.00 0.00 178.83 179.17 2gds h ILE 22 N -0.00 1.07 -0.44 2.39 2.04 -1.93 0.22 117.51 120.87 2gds h ILE 22 Ca -0.24 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2gds h ILE 22 Cb 2.02 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 2gds h ILE 22 CO 0.23 0.07 0.29 0.24 0.00 0.00 0.00 178.15 178.98 2gds h MET 23 N 0.06 0.59 0.20 2.37 2.86 -1.64 0.14 114.93 119.51 2gds h MET 23 Ca 0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2gds h MET 23 Cb 0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2gds h MET 23 CO -0.01 0.40 -0.22 0.37 1.06 0.00 0.00 176.91 178.52 2gds h GLN 24 N 0.60 -0.40 -0.57 1.72 5.75 -1.12 -2.40 115.11 118.68 2gds h GLN 24 Ca 0.16 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.72 2gds h GLN 24 Cb -0.05 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 2gds h GLN 24 CO -0.03 -0.27 0.34 -0.07 -2.65 0.00 0.00 178.83 176.14 2gds h LEU 25 N -0.42 0.54 -0.01 -2.39 3.38 -0.92 -1.80 115.31 113.70 2gds h LEU 25 Ca -0.02 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2gds h LEU 25 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2gds h LEU 25 CO -0.04 0.37 -0.28 -0.74 0.09 0.00 0.00 178.44 177.85 2gds h HIS 26 N 0.66 -0.75 0.34 1.13 2.76 -0.68 -0.27 115.15 118.34 2gds h HIS 26 Ca 0.23 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2gds h HIS 26 Cb 0.04 0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2gds h HIS 26 CO -0.06 -0.37 -0.16 1.25 -1.30 0.00 0.00 177.93 177.28 2gds h HIS 27 N -0.42 -0.43 0.00 5.26 -0.00 -1.39 0.77 115.15 118.94 2gds h HIS 27 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2gds h HIS 27 Cb 0.50 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.06 2gds h HIS 27 CO -0.31 -0.26 0.00 0.66 -0.00 0.00 0.00 177.93 178.02 2gds h SER 28 N -0.99 0.00 0.00 3.26 4.64 -1.41 -2.80 113.55 116.25 2gds h SER 28 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2gds h SER 28 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2gds h SER 28 CO 0.08 0.00 -1.01 0.29 -0.87 0.00 0.00 176.83 175.32 2gds n LYS 29 N -2.68 0.01 0.06 4.77 4.01 -0.16 -4.60 118.16 119.57 2gds n LYS 29 Ca 0.00 0.01 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 2gds n LYS 29 Cb 0.20 -0.52 -0.06 0.00 -0.51 0.00 0.00 35.03 34.15 2gds n LYS 29 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 2gds h ASN 30 N -0.02 -0.21 0.01 4.39 2.35 -1.01 -2.37 115.58 118.72 2gds h ASN 30 Ca -0.01 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.46 2gds h ASN 30 Cb 0.99 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 2gds h ASN 30 CO -0.01 0.33 -0.11 -0.74 -1.65 0.00 0.00 177.43 175.26 2gds h HIS 31 N -0.97 0.23 -0.40 1.19 2.76 -0.88 -2.48 115.15 114.58 2gds h HIS 31 Ca -0.03 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 2gds h HIS 31 Cb 0.44 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 2gds h HIS 31 CO 0.06 0.33 -0.23 0.00 -1.30 0.00 0.00 177.93 176.79 2gds h ALA 32 N 1.68 0.82 -0.17 5.26 0.00 -1.58 -2.77 119.26 122.51 2gds h ALA 32 Ca 0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2gds h ALA 32 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2gds h ALA 32 CO 0.02 0.64 -0.23 0.00 0.00 0.00 0.00 179.25 179.68 2gds h ALA 33 N 1.02 1.29 0.17 0.00 0.00 -0.96 -2.96 119.26 117.82 2gds h ALA 33 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2gds h ALA 33 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2gds h ALA 33 CO 0.06 0.48 -0.08 1.88 0.00 0.00 0.00 179.25 181.59 2gds h TYR 34 N 0.28 -0.21 -0.82 0.00 0.05 -1.29 -2.03 116.97 112.94 2gds h TYR 34 Ca 0.05 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.91 2gds h TYR 34 Cb 0.57 0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.32 2gds h TYR 34 CO 0.01 0.18 0.54 -0.39 -1.05 0.00 0.00 178.16 177.44 2gds h VAL 35 N -0.67 0.96 -0.03 -2.88 -1.51 -1.51 0.50 116.25 111.11 2gds h VAL 35 Ca -0.02 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 65.16 2gds h VAL 35 Cb 0.48 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.75 2gds h VAL 35 CO 0.04 0.14 -0.04 -1.13 -1.23 0.00 0.00 177.57 175.35 2gds h ASN 36 N 0.79 0.09 0.68 4.19 -0.73 -1.53 -1.76 115.58 117.31 2gds h ASN 36 Ca 0.38 -0.53 -0.01 0.00 1.87 0.00 0.00 56.30 58.01 2gds h ASN 36 Cb 0.42 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.98 2gds h ASN 36 CO -0.15 0.60 -0.06 0.78 -0.37 0.00 0.00 177.43 178.23 2gds h ASN 37 N -0.42 0.00 -0.03 1.15 -0.26 -0.99 -1.41 115.58 113.63 2gds h ASN 37 Ca 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 2gds h ASN 37 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 2gds h ASN 37 CO 0.01 0.06 -0.17 0.25 -1.06 0.00 0.00 177.43 176.52 2gds h LEU 38 N 0.00 0.21 -1.63 1.61 5.85 -0.79 -0.86 115.31 119.71 2gds h LEU 38 Ca -0.00 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.06 2gds h LEU 38 Cb 0.42 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2gds h LEU 38 CO 0.01 0.84 0.23 0.78 -0.34 0.00 0.00 178.44 179.96 2gds h ASN 39 N -0.40 0.42 0.00 1.25 2.35 -0.85 0.16 115.58 118.51 2gds h ASN 39 Ca -0.01 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2gds h ASN 39 Cb 0.83 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2gds h ASN 39 CO 0.04 0.31 -0.00 0.58 -1.65 0.00 0.00 177.43 176.70 2gds h VAL 40 N 0.49 1.45 -0.29 2.81 2.07 -1.26 -3.02 116.25 118.50 2gds h VAL 40 Ca 0.13 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.29 2gds h VAL 40 Cb -0.05 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2gds h VAL 40 CO -0.03 0.35 0.17 0.74 0.02 0.00 0.00 177.57 178.83 2gds h THR 41 N -0.59 1.05 0.11 2.57 2.02 -0.49 -2.01 112.91 115.55 2gds h THR 41 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2gds h THR 41 Cb 0.58 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2gds h THR 41 CO 0.00 0.07 -0.10 -0.33 0.37 0.00 0.00 175.52 175.53 2gds h GLU 42 N 0.36 -0.21 -0.77 6.66 5.08 -0.82 0.84 114.58 125.71 2gds h GLU 42 Ca 0.11 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 2gds h GLU 42 Cb -0.02 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 2gds h GLU 42 CO -0.04 -0.14 0.37 1.49 -1.00 0.00 0.00 179.01 179.68 2gds h GLU 43 N -0.22 0.55 -0.18 2.33 4.81 -1.42 0.29 114.58 120.75 2gds h GLU 43 Ca 0.00 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2gds h GLU 43 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2gds h GLU 43 CO -0.02 0.36 -0.30 0.87 -0.73 0.00 0.00 179.01 179.19 2gds h LYS 44 N 0.57 0.36 -0.09 1.92 1.57 -0.97 -2.38 116.57 117.54 2gds h LYS 44 Ca 0.41 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.86 2gds h LYS 44 Cb 0.54 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.84 2gds h LYS 44 CO -0.34 0.62 -0.67 -0.92 -0.57 0.00 0.00 179.45 177.58 2gds h TYR 45 N 0.31 0.84 0.00 -1.35 5.03 0.16 -1.56 116.97 120.41 2gds h TYR 45 Ca 0.04 -0.39 -0.02 0.00 2.58 0.00 0.00 58.73 60.94 2gds h TYR 45 Cb 0.69 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.84 2gds h TYR 45 CO 0.02 1.20 -0.11 0.37 -1.32 0.00 0.00 178.16 178.32 2gds h GLN 46 N 0.24 0.00 0.56 1.82 4.15 -0.48 0.55 115.11 121.95 2gds h GLN 46 Ca -0.06 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2gds h GLN 46 Cb 1.32 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.01 2gds h GLN 46 CO 0.14 0.11 -0.27 1.49 -1.93 0.00 0.00 178.83 178.36 2gds h GLU 47 N 0.00 -0.73 -0.43 1.69 4.81 -1.26 -2.04 114.58 116.63 2gds h GLU 47 Ca -0.00 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2gds h GLU 47 Cb 0.20 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2gds h GLU 47 CO 0.01 -0.48 0.19 0.00 -0.73 0.00 0.00 179.01 178.00 2gds h ALA 48 N -1.27 1.54 -0.51 2.92 0.00 -0.87 -2.02 119.26 119.04 2gds h ALA 48 Ca -0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2gds h ALA 48 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2gds h ALA 48 CO 0.13 0.36 0.14 1.25 0.00 0.00 0.00 179.25 181.13 2gds h LEU 49 N 0.59 0.77 -1.02 0.00 5.85 0.04 -0.67 115.31 120.88 2gds h LEU 49 Ca 0.15 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2gds h LEU 49 Cb 0.08 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 2gds h LEU 49 CO -0.02 0.79 0.66 0.00 -0.34 0.00 0.00 178.44 179.53 2gds h ALA 50 N 1.00 1.34 0.00 1.25 0.00 -0.63 -1.50 119.26 120.73 2gds h ALA 50 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gds h ALA 50 Cb 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2gds h ALA 50 CO -0.00 0.56 -0.12 1.63 0.00 0.00 0.00 179.25 181.32 2gds n LYS 51 N -4.44 0.10 -1.77 0.00 5.02 -1.05 -4.92 118.16 111.10 2gds n LYS 51 Ca 0.13 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.45 2gds n LYS 51 Cb 0.09 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.49 2gds n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gds n GLY 52 N 1.43 0.36 3.50 0.72 0.00 -0.57 -4.96 105.19 105.67 2gds n GLY 52 Ca 0.06 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2gds n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gds s ASP 53 N -2.85 6.48 0.49 1.61 3.68 -0.33 -4.84 116.67 120.90 2gds s ASP 53 Ca 0.00 -1.55 0.25 0.00 2.13 0.00 0.00 52.55 53.38 2gds s ASP 53 Cb 0.00 -2.48 1.25 0.00 -1.45 0.00 0.00 42.92 40.24 2gds s ASP 53 CO 0.00 -1.35 1.99 0.58 0.13 0.00 0.00 175.17 176.52 2gds h VAL 54 N 6.23 0.62 0.36 1.11 2.07 -1.93 -2.44 116.25 122.27 2gds h VAL 54 Ca 0.08 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2gds h VAL 54 Cb 1.03 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2gds h VAL 54 CO 1.25 0.17 -0.17 0.74 0.02 0.00 0.00 177.57 179.58 2gds h THR 55 N 0.00 0.54 -0.81 2.57 2.02 -1.97 -2.32 112.91 112.93 2gds h THR 55 Ca -0.00 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.59 2gds h THR 55 Cb 0.47 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 2gds h THR 55 CO 0.02 0.10 0.53 0.00 0.37 0.00 0.00 175.52 176.55 2gds h ALA 56 N -0.49 1.54 -0.26 6.16 0.00 -1.93 0.53 119.26 124.81 2gds h ALA 56 Ca -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2gds h ALA 56 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2gds h ALA 56 CO 0.08 0.37 0.11 1.96 0.00 0.00 0.00 179.25 181.77 2gds h GLN 57 N 0.97 0.24 -0.51 0.00 4.20 -1.44 -1.23 115.11 117.35 2gds h GLN 57 Ca 0.33 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.90 2gds h GLN 57 Cb 0.09 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2gds h GLN 57 CO -0.10 0.16 -0.17 0.82 -0.67 0.00 0.00 178.83 178.86 2gds h ILE 58 N 0.25 1.27 0.00 2.54 2.04 -0.74 -2.79 117.51 120.08 2gds h ILE 58 Ca 0.11 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 2gds h ILE 58 Cb 0.05 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2gds h ILE 58 CO -0.09 0.47 -0.01 0.00 0.00 0.00 0.00 178.15 178.51 2gds h ALA 59 N 0.91 1.02 0.00 1.87 0.00 -0.63 -1.93 119.26 120.51 2gds h ALA 59 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gds h ALA 59 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2gds h ALA 59 CO 0.06 0.01 -0.85 1.28 0.00 0.00 0.00 179.25 179.75 2gds n LEU 60 N -3.12 0.72 0.09 0.00 4.32 -0.49 -4.53 117.00 113.99 2gds n LEU 60 Ca -0.01 0.21 -0.16 0.00 -0.02 0.00 0.00 56.01 56.03 2gds n LEU 60 Cb 0.22 -0.12 -0.10 0.00 -1.62 0.00 0.00 43.42 41.79 2gds n LEU 60 CO 0.25 -0.08 0.51 1.56 -1.22 0.00 0.00 177.39 178.41 2gds h GLN 61 N 0.00 -0.70 -0.91 3.23 4.20 -1.13 -1.57 115.11 118.24 2gds h GLN 61 Ca 0.00 0.05 0.16 0.00 0.06 0.00 0.00 58.65 58.92 2gds h GLN 61 Cb 0.83 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.67 2gds h GLN 61 CO 0.00 -0.47 0.50 -1.00 -0.67 0.00 0.00 178.83 177.19 2gds h PRO 62 N -0.73 0.65 -0.08 1.46 0.13 -1.79 0.46 132.00 132.10 2gds h PRO 62 Ca 0.00 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2gds h PRO 62 Cb 0.75 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2gds h PRO 62 CO -0.32 0.43 -0.26 0.00 -0.23 0.00 0.00 178.00 177.62 2gds h ALA 63 N 1.59 1.41 0.02 -0.56 0.00 -1.74 -0.79 119.26 119.18 2gds h ALA 63 Ca 0.51 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2gds h ALA 63 Cb 0.74 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2gds h ALA 63 CO -0.37 0.42 -0.46 1.25 0.00 0.00 0.00 179.25 180.09 2gds h LEU 64 N 0.13 0.38 -0.50 0.00 6.46 0.03 -1.67 115.31 120.13 2gds h LEU 64 Ca 0.02 -0.80 -0.02 0.00 -0.12 0.00 0.00 57.88 56.96 2gds h LEU 64 Cb 0.55 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2gds h LEU 64 CO 0.04 1.13 0.24 0.50 -0.62 0.00 0.00 178.44 179.74 2gds h LYS 65 N -0.34 0.72 0.56 1.25 3.64 -1.08 0.52 116.57 121.85 2gds h LYS 65 Ca -0.06 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2gds h LYS 65 Cb 1.22 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2gds h LYS 65 CO 0.09 0.60 -0.27 0.35 -2.27 0.00 0.00 179.45 177.96 2gds h PHE 66 N 0.67 -0.69 0.13 1.91 -0.00 -1.19 0.19 116.94 117.95 2gds h PHE 66 Ca 0.17 -0.02 -0.29 0.00 -0.00 0.00 0.00 57.97 57.83 2gds h PHE 66 Cb 0.12 0.23 0.02 0.00 -0.00 0.00 0.00 35.95 36.32 2gds h PHE 66 CO -0.01 -0.41 -1.25 -0.91 -0.00 0.00 0.00 178.31 175.74 2gds h ASN 67 N -0.80 0.78 -0.54 0.41 4.21 -1.32 -1.15 115.58 117.17 2gds h ASN 67 Ca -0.08 -0.74 -0.09 0.00 1.21 0.00 0.00 56.30 56.60 2gds h ASN 67 Cb 0.59 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 2gds h ASN 67 CO 0.13 1.55 -0.00 1.23 -1.29 0.00 0.00 177.43 179.05 2gds h GLY 68 N 0.55 1.07 1.32 2.83 0.00 -0.01 -1.43 103.07 107.41 2gds h GLY 68 Ca -0.18 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.24 2gds h GLY 68 CO 0.23 0.71 -0.37 -1.33 0.00 0.00 0.00 176.54 175.78 2gds h GLY 69 N 1.00 0.81 1.09 4.60 0.00 -0.67 -1.45 103.07 108.45 2gds h GLY 69 Ca 0.17 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 2gds h GLY 69 CO 0.03 0.72 0.40 -1.33 0.00 0.00 0.00 176.54 176.36 2gds h GLY 70 N 0.94 1.26 0.73 4.60 0.00 -0.91 0.62 103.07 110.30 2gds h GLY 70 Ca 0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 2gds h GLY 70 CO 0.08 0.58 -0.09 0.84 0.00 0.00 0.00 176.54 177.96 2gds h HIS 71 N 1.17 0.35 -0.08 5.60 6.17 -1.10 -2.54 115.15 124.71 2gds h HIS 71 Ca 0.28 -0.09 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 2gds h HIS 71 Cb 0.10 -0.08 -0.00 0.00 2.52 0.00 0.00 27.41 29.95 2gds h HIS 71 CO 0.01 0.66 0.04 0.82 0.71 0.00 0.00 177.93 180.17 2gds h ILE 72 N -0.06 1.07 0.15 6.26 2.04 -1.08 -2.32 117.51 123.56 2gds h ILE 72 Ca 0.03 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2gds h ILE 72 Cb 0.58 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2gds h ILE 72 CO 0.02 0.06 -0.07 0.78 0.00 0.00 0.00 178.15 178.94 2gds h ASN 73 N 0.05 -0.17 0.32 1.72 2.35 -0.93 -2.71 115.58 116.20 2gds h ASN 73 Ca 0.03 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 2gds h ASN 73 Cb 0.06 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2gds h ASN 73 CO -0.00 -0.08 -0.49 0.45 -1.65 0.00 0.00 177.43 175.66 2gds h HIS 74 N -0.25 0.24 -0.59 1.19 3.86 -1.52 -0.46 115.15 117.62 2gds h HIS 74 Ca -0.02 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2gds h HIS 74 Cb 0.19 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 2gds h HIS 74 CO -0.05 0.65 0.38 0.77 0.86 0.00 0.00 177.93 180.54 2gds h SER 75 N 0.16 0.68 -0.10 2.45 0.02 -1.36 -1.40 113.55 114.00 2gds h SER 75 Ca 0.01 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2gds h SER 75 Cb 0.92 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 2gds h SER 75 CO 0.07 0.51 -0.13 0.40 -1.14 0.00 0.00 176.83 176.54 2gds h ILE 76 N 0.80 1.38 -0.78 3.27 2.04 -1.33 -3.29 117.51 119.58 2gds h ILE 76 Ca 0.21 -1.35 0.17 0.00 1.00 0.00 0.00 64.86 64.90 2gds h ILE 76 Cb -0.07 2.04 -0.11 0.00 -0.74 0.00 0.00 36.82 37.94 2gds h ILE 76 CO -0.04 0.38 0.27 0.15 0.00 0.00 0.00 178.15 178.90 2gds h PHE 77 N -0.17 0.44 0.00 1.37 3.57 -0.62 -0.98 116.94 120.55 2gds h PHE 77 Ca 0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2gds h PHE 77 Cb 0.68 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2gds h PHE 77 CO 0.10 -0.03 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.63 2gds h TRP 78 N 0.36 0.00 0.00 0.41 -0.00 -1.34 -1.71 115.95 113.67 2gds h TRP 78 Ca 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.29 2gds h TRP 78 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.92 2gds h TRP 78 CO -0.20 0.03 -0.41 1.79 -0.00 0.00 0.00 178.44 179.65 2gds h THR 79 N 0.00 0.38 0.00 1.49 1.35 -1.30 -3.25 112.91 111.58 2gds h THR 79 Ca -0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2gds h THR 79 Cb 0.05 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2gds h THR 79 CO 0.00 0.22 0.00 0.59 -0.25 0.00 0.00 175.52 176.08 2gds n ASN 80 N -3.09 0.00 -4.26 5.36 5.03 -0.64 -4.63 115.26 113.02 2gds n ASN 80 Ca 0.02 -0.60 -0.26 0.00 0.87 0.00 0.00 54.58 54.61 2gds n ASN 80 Cb 0.64 -0.11 -0.14 0.00 -1.02 0.00 0.00 39.78 39.15 2gds n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2gds s LEU 81 N -2.23 2.19 -0.16 3.41 1.43 -1.22 0.94 118.68 123.03 2gds s LEU 81 Ca 0.37 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 2gds s LEU 81 Cb 0.20 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.50 2gds s LEU 81 CO 0.37 0.15 0.69 -0.55 0.23 0.00 0.00 176.35 177.25 2gds s SER 82 N -1.30 -0.70 0.27 2.29 0.15 0.12 -4.65 113.70 109.88 2gds s SER 82 Ca 0.08 1.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 2gds s SER 82 Cb -0.09 1.02 0.33 0.00 -1.71 0.00 0.00 66.02 65.57 2gds s SER 82 CO 0.02 -0.42 1.91 1.55 1.20 0.00 0.00 173.24 177.50 2gds h PRO 83 N 4.07 1.15 -0.96 5.44 0.13 -1.84 -2.19 132.00 137.81 2gds h PRO 83 Ca -0.28 -0.11 -0.25 0.00 -0.87 0.00 0.00 66.00 64.49 2gds h PRO 83 Cb 1.15 -0.24 -0.15 0.00 0.13 0.00 0.00 31.00 31.89 2gds h PRO 83 CO 0.21 0.82 0.32 0.27 -0.23 0.00 0.00 178.00 179.39 2gds n ASN 84 N -4.36 3.47 -2.27 1.44 6.94 -1.26 -4.91 115.26 114.31 2gds n ASN 84 Ca 0.09 -2.85 -0.02 0.00 -0.02 0.00 0.00 54.58 51.78 2gds n ASN 84 Cb 0.07 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 36.82 2gds n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gds n GLY 85 N -0.32 2.38 0.00 4.83 0.00 -0.82 -5.03 105.19 106.23 2gds n GLY 85 Ca 0.31 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2gds n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gds n GLY 86 N 4.36 -0.92 7.00 -0.02 0.00 0.63 -4.62 105.19 111.62 2gds n GLY 86 Ca 0.01 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2gds n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gds n GLY 87 N -0.40 0.02 3.46 -0.02 0.00 -1.26 -4.76 105.19 102.23 2gds n GLY 87 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 2gds n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gds s GLU 88 N 0.00 1.67 0.50 1.61 2.02 -1.26 -5.01 118.70 118.23 2gds s GLU 88 Ca 0.00 -1.30 -0.09 0.00 0.02 0.00 0.00 54.97 53.60 2gds s GLU 88 Cb 0.00 -2.01 0.12 0.00 0.10 0.00 0.00 34.13 32.34 2gds s GLU 88 CO 0.00 0.45 0.58 -0.35 0.02 0.00 0.00 175.26 175.96 2gds n PRO 89 N 0.62 -1.18 -2.99 0.39 -0.04 -1.26 -5.03 135.00 125.52 2gds n PRO 89 Ca -0.15 -0.90 -0.09 0.00 -0.04 0.00 0.00 63.50 62.32 2gds n PRO 89 Cb 0.54 -0.69 -0.02 0.00 -0.04 0.00 0.00 33.50 33.29 2gds n PRO 89 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2gds n LYS 90 N -2.62 0.38 0.00 0.54 2.85 -1.26 -4.62 118.16 113.42 2gds n LYS 90 Ca 0.07 -1.63 0.00 0.00 -1.05 0.00 0.00 58.31 55.70 2gds n LYS 90 Cb 0.27 1.53 0.00 0.00 -0.65 0.00 0.00 35.03 36.19 2gds n LYS 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2gds n GLY 91 N -0.33 2.86 0.17 2.58 0.00 -1.26 -2.84 105.19 106.37 2gds n GLY 91 Ca 0.01 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.78 2gds n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gds h GLU 92 N 0.00 0.02 -0.06 1.61 5.08 -2.00 -3.16 114.58 116.08 2gds h GLU 92 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2gds h GLU 92 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2gds h GLU 92 CO 0.00 0.47 -0.01 1.25 -1.00 0.00 0.00 179.01 179.72 2gds h LEU 93 N 0.02 0.10 -1.20 1.33 6.46 -1.92 -0.68 115.31 119.42 2gds h LEU 93 Ca -0.00 -0.35 0.02 0.00 -0.12 0.00 0.00 57.88 57.43 2gds h LEU 93 Cb 0.80 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 2gds h LEU 93 CO 0.06 0.43 0.55 0.25 -0.62 0.00 0.00 178.44 179.10 2gds h LEU 94 N -0.22 0.92 -0.35 2.25 5.85 -1.63 -0.89 115.31 121.23 2gds h LEU 94 Ca 0.01 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2gds h LEU 94 Cb 0.38 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2gds h LEU 94 CO 0.00 0.65 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.32 2gds h GLU 95 N 1.08 0.70 -0.20 1.25 4.39 -1.50 -0.67 114.58 119.62 2gds h GLU 95 Ca 0.31 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.76 2gds h GLU 95 Cb -0.06 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2gds h GLU 95 CO -0.08 0.87 0.03 0.00 -1.16 0.00 0.00 179.01 178.67 2gds h ALA 96 N 0.81 0.20 -0.04 3.43 0.00 -0.58 -0.40 119.26 122.68 2gds h ALA 96 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2gds h ALA 96 Cb 0.63 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2gds h ALA 96 CO 0.04 -0.40 -0.06 0.82 0.00 0.00 0.00 179.25 179.65 2gds h ILE 97 N 0.11 0.83 -0.95 0.00 2.04 -1.07 0.16 117.51 118.63 2gds h ILE 97 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 2gds h ILE 97 Cb 0.10 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2gds h ILE 97 CO -0.13 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.73 2gds h LYS 98 N -0.09 0.89 0.09 2.37 1.57 -0.70 0.34 116.57 121.03 2gds h LYS 98 Ca 0.04 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 2gds h LYS 98 Cb 0.14 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 32.28 2gds h LYS 98 CO -0.09 0.59 -1.02 -0.09 -0.57 0.00 0.00 179.45 178.27 2gds h ARG 99 N 0.92 0.53 -0.00 3.15 2.43 -0.49 -0.43 114.38 120.49 2gds h ARG 99 Ca 0.46 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2gds h ARG 99 Cb 0.48 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2gds h ARG 99 CO -0.22 1.29 -0.45 -0.25 -1.51 0.00 0.00 179.97 178.83 2gds n ASP 100 N -3.95 0.65 0.00 -3.80 8.00 0.52 -4.35 116.55 113.62 2gds n ASP 100 Ca -0.13 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.94 2gds n ASP 100 Cb 0.88 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 2gds n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2gds n PHE 101 N -1.29 0.00 0.00 1.24 3.01 0.12 -5.03 117.46 115.51 2gds n PHE 101 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2gds n PHE 101 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 2gds n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gds n GLY 102 N 0.07 2.70 3.84 1.37 0.00 -0.17 -4.38 105.19 108.62 2gds n GLY 102 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 2gds n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gds s SER 103 N 0.00 -0.16 0.10 1.61 1.04 -1.25 -4.60 113.70 110.45 2gds s SER 103 Ca 0.00 -0.78 -0.21 0.00 0.48 0.00 0.00 55.95 55.44 2gds s SER 103 Cb 0.00 0.75 -0.11 0.00 0.10 0.00 0.00 66.02 66.76 2gds s SER 103 CO 0.00 -1.42 1.74 0.15 0.98 0.00 0.00 173.24 174.68 2gds h PHE 104 N 2.00 0.13 0.00 5.02 3.57 -1.89 -1.26 116.94 124.51 2gds h PHE 104 Ca -0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 2gds h PHE 104 Cb 1.25 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2gds h PHE 104 CO 0.77 0.11 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.49 2gds h ASP 105 N 0.12 0.00 0.15 0.41 5.19 -1.97 -1.00 116.42 119.31 2gds h ASP 105 Ca 0.04 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.23 2gds h ASP 105 Cb 0.01 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.54 2gds h ASP 105 CO -0.01 0.02 -0.93 0.11 -3.12 0.00 0.00 179.24 175.31 2gds h LYS 106 N 0.00 0.38 -0.77 3.56 1.57 -1.72 -3.08 116.57 116.50 2gds h LYS 106 Ca -0.00 -0.60 0.08 0.00 -1.87 0.00 0.00 60.65 58.26 2gds h LYS 106 Cb 0.07 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 2gds h LYS 106 CO 0.00 1.27 0.43 0.35 -0.57 0.00 0.00 179.45 180.94 2gds h PHE 107 N -0.21 0.79 -0.09 -1.35 3.57 -0.30 -1.63 116.94 117.71 2gds h PHE 107 Ca -0.16 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.38 2gds h PHE 107 Cb 1.72 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 2gds h PHE 107 CO 0.18 0.34 0.02 0.87 -2.23 0.00 0.00 178.31 177.48 2gds h LYS 108 N 0.75 0.06 -0.79 1.11 1.57 -1.29 0.14 116.57 118.12 2gds h LYS 108 Ca 0.36 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 2gds h LYS 108 Cb 0.30 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2gds h LYS 108 CO -0.23 0.04 0.50 0.93 -0.57 0.00 0.00 179.45 180.11 2gds h GLU 109 N 0.06 0.93 0.17 3.15 5.08 -1.34 0.19 114.58 122.82 2gds h GLU 109 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2gds h GLU 109 Cb 0.03 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2gds h GLU 109 CO -0.06 0.62 -0.08 0.87 -1.00 0.00 0.00 179.01 179.36 2gds h LYS 110 N 0.96 -0.22 0.00 2.33 1.57 -0.93 0.86 116.57 121.14 2gds h LYS 110 Ca 0.32 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2gds h LYS 110 Cb 0.04 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2gds h LYS 110 CO -0.12 -0.01 -0.08 1.25 -0.57 0.00 0.00 179.45 179.92 2gds h LEU 111 N -0.40 0.00 0.14 2.94 5.85 -0.46 -1.95 115.31 121.42 2gds h LEU 111 Ca -0.02 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.45 2gds h LEU 111 Cb 0.32 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.37 2gds h LEU 111 CO 0.04 0.08 -1.03 0.74 -0.34 0.00 0.00 178.44 177.92 2gds h THR 112 N 0.00 1.39 -0.34 1.05 2.02 -0.39 -3.05 112.91 113.59 2gds h THR 112 Ca -0.00 -2.47 -0.02 0.00 0.77 0.00 0.00 66.41 64.69 2gds h THR 112 Cb 0.43 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 2gds h THR 112 CO 0.01 0.73 0.12 0.00 0.37 0.00 0.00 175.52 176.75 2gds h ALA 113 N 0.19 0.44 -0.79 6.16 0.00 -0.44 0.10 119.26 124.92 2gds h ALA 113 Ca -0.17 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.67 2gds h ALA 113 Cb 1.77 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 2gds h ALA 113 CO 0.20 0.06 0.48 0.00 0.00 0.00 0.00 179.25 179.98 2gds h ALA 114 N 0.97 1.09 -0.23 0.00 0.00 -1.48 0.47 119.26 120.07 2gds h ALA 114 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2gds h ALA 114 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2gds h ALA 114 CO -0.01 0.19 -0.47 0.77 0.00 0.00 0.00 179.25 179.73 2gds h SER 115 N 0.86 0.82 0.54 0.00 0.02 -1.37 -2.97 113.55 111.44 2gds h SER 115 Ca 0.35 -0.55 -0.14 0.00 -0.84 0.00 0.00 61.79 60.62 2gds h SER 115 Cb 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2gds h SER 115 CO -0.18 1.21 -0.63 0.58 -1.14 0.00 0.00 176.83 176.67 2gds h VAL 116 N 0.46 1.43 0.00 2.27 2.07 -0.50 -3.23 116.25 118.75 2gds h VAL 116 Ca 0.01 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.40 2gds h VAL 116 Cb 1.08 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2gds h VAL 116 CO 0.10 0.61 -0.06 1.23 0.02 0.00 0.00 177.57 179.47 2gds h GLY 117 N 1.74 0.00 -4.86 2.17 0.00 0.01 -3.45 103.07 98.69 2gds h GLY 117 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 2gds h GLY 117 CO 0.09 0.00 0.97 -1.34 0.00 0.00 0.00 176.54 176.26 2gds s VAL 118 N -3.61 2.94 -0.33 4.60 -7.23 -1.13 -4.95 120.40 110.69 2gds s VAL 118 Ca 0.02 0.48 -0.19 0.00 -1.81 0.00 0.00 61.98 60.47 2gds s VAL 118 Cb 0.09 -3.31 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 2gds s VAL 118 CO 0.58 0.01 0.56 -1.10 -0.31 0.00 0.00 175.10 174.85 2gds s GLN 119 N 2.28 3.78 1.50 4.82 -0.21 -1.26 -4.87 119.66 125.69 2gds s GLN 119 Ca 0.73 0.07 0.00 0.00 0.02 0.00 0.00 55.36 56.18 2gds s GLN 119 Cb -0.41 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 29.84 2gds s GLN 119 CO 0.32 -0.59 0.00 0.41 -2.12 0.00 0.00 175.29 173.31 2gds n GLY 120 N 4.62 0.05 3.77 3.09 0.00 -1.26 -4.90 105.19 110.55 2gds n GLY 120 Ca -0.03 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 2gds n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gds s SER 121 N -4.00 7.32 0.00 1.61 0.01 -1.26 -4.82 113.70 112.56 2gds s SER 121 Ca 0.00 1.56 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2gds s SER 121 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2gds s SER 121 CO 0.00 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2gds n GLY 122 N 1.77 -1.19 3.01 3.44 0.00 -1.26 -0.67 105.19 110.28 2gds n GLY 122 Ca -0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2gds n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gds s TRP 123 N -3.00 0.19 -0.14 1.61 0.52 0.12 -1.28 118.94 116.97 2gds s TRP 123 Ca 0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 56.10 55.67 2gds s TRP 123 Cb 0.00 -0.15 -0.03 0.00 -1.15 0.00 0.00 33.47 32.14 2gds s TRP 123 CO 0.00 -0.21 0.01 0.20 0.02 0.00 0.00 176.95 176.97 2gds s GLY 124 N -1.39 1.84 0.03 0.98 0.00 -0.75 -0.86 107.32 107.17 2gds s GLY 124 Ca -0.15 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.83 2gds s GLY 124 CO -0.00 -0.21 -0.14 -0.98 0.00 0.00 0.00 173.10 171.76 2gds s TRP 125 N -0.10 1.26 -0.22 1.90 0.52 0.15 -0.86 118.94 121.58 2gds s TRP 125 Ca 0.05 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 55.78 2gds s TRP 125 Cb -0.13 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.43 2gds s TRP 125 CO 0.02 0.03 -0.03 -1.17 0.02 0.00 0.00 176.95 175.82 2gds s LEU 126 N -1.05 2.99 0.00 2.99 2.96 -0.18 -1.03 118.68 125.35 2gds s LEU 126 Ca 0.02 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2gds s LEU 126 Cb -0.08 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2gds s LEU 126 CO 0.01 -0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 2gds n GLY 127 N 4.69 4.62 2.86 7.98 0.00 0.13 -1.53 105.19 123.94 2gds n GLY 127 Ca -0.18 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 2gds n GLY 127 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gds s PHE 128 N -1.13 0.92 -0.74 1.61 5.36 -0.10 -2.11 117.98 121.79 2gds s PHE 128 Ca 0.00 -0.33 -0.21 0.00 -0.96 0.00 0.00 56.93 55.44 2gds s PHE 128 Cb 0.00 -0.86 0.10 0.00 -0.34 0.00 0.00 43.02 41.92 2gds s PHE 128 CO 0.00 -0.31 0.97 1.21 -1.46 0.00 0.00 175.22 175.63 2gds s ASN 129 N 1.45 6.33 0.48 6.13 3.84 0.17 -2.02 114.94 131.33 2gds s ASN 129 Ca -0.02 -1.43 0.32 0.00 0.21 0.00 0.00 52.86 51.94 2gds s ASN 129 Cb -0.13 -2.39 1.38 0.00 -0.55 0.00 0.00 41.25 39.55 2gds s ASN 129 CO -0.03 -1.26 1.95 0.50 -2.79 0.00 0.00 177.10 175.47 2gds h LYS 130 N 9.25 0.00 0.01 0.43 3.64 -1.90 0.81 116.57 128.81 2gds h LYS 130 Ca -0.14 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.04 2gds h LYS 130 Cb 1.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2gds h LYS 130 CO 1.14 0.00 -0.95 1.49 -2.27 0.00 0.00 179.45 178.86 2gds h GLU 131 N 0.00 0.04 -0.07 1.90 4.81 -1.95 -3.31 114.58 116.00 2gds h GLU 131 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2gds h GLU 131 Cb 0.41 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2gds h GLU 131 CO 0.00 0.96 0.00 0.54 -0.73 0.00 0.00 179.01 179.78 2gds n ARG 132 N -3.46 0.78 -3.01 1.92 1.74 -0.87 -5.02 116.66 108.75 2gds n ARG 132 Ca -0.01 -1.18 -0.22 0.00 -0.77 0.00 0.00 57.85 55.66 2gds n ARG 132 Cb 0.89 -1.15 0.02 0.00 -1.02 0.00 0.00 32.46 31.20 2gds n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gds n GLY 133 N 0.36 -0.52 3.40 -0.13 0.00 0.28 -4.99 105.19 103.59 2gds n GLY 133 Ca 0.05 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2gds n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gds s HIS 134 N -3.11 0.88 0.30 1.61 -3.43 -0.99 -4.98 115.29 105.58 2gds s HIS 134 Ca 0.29 -1.14 -0.23 0.00 -0.80 0.00 0.00 55.06 53.18 2gds s HIS 134 Cb -0.13 -0.21 -0.09 0.00 -1.43 0.00 0.00 32.58 30.71 2gds s HIS 134 CO 0.35 -0.87 0.86 -0.51 -2.00 0.00 0.00 174.74 172.58 2gds s LEU 135 N -3.13 4.28 -0.04 5.38 1.43 -1.26 0.42 118.68 125.75 2gds s LEU 135 Ca 0.32 1.65 -0.03 0.00 -1.03 0.00 0.00 54.13 55.03 2gds s LEU 135 Cb 0.03 -3.94 0.02 0.00 0.03 0.00 0.00 46.19 42.32 2gds s LEU 135 CO 0.13 -0.08 0.10 -1.58 0.23 0.00 0.00 176.35 175.15 2gds s GLN 136 N -2.22 0.09 -0.24 1.70 0.74 -0.90 -4.83 119.66 114.00 2gds s GLN 136 Ca 0.49 0.21 -0.12 0.00 0.05 0.00 0.00 55.36 55.99 2gds s GLN 136 Cb -0.16 -0.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.85 2gds s GLN 136 CO 0.21 -0.08 0.22 0.42 -0.55 0.00 0.00 175.29 175.51 2gds s ILE 137 N 0.49 5.31 0.16 -2.34 1.01 -1.26 0.19 121.20 124.77 2gds s ILE 137 Ca -0.04 0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.96 2gds s ILE 137 Cb -0.05 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2gds s ILE 137 CO -0.02 0.31 -0.12 0.00 0.00 0.00 0.00 174.94 175.11 2gds s ALA 138 N 1.25 1.62 -0.05 9.38 0.00 -0.20 -4.99 121.76 128.78 2gds s ALA 138 Ca 0.10 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 50.58 2gds s ALA 138 Cb -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2gds s ALA 138 CO 0.06 -0.04 -0.20 0.00 0.00 0.00 0.00 175.76 175.59 2gds s ALA 139 N -3.15 1.73 -0.07 0.00 0.00 -1.26 0.31 121.76 119.32 2gds s ALA 139 Ca 0.18 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.38 2gds s ALA 139 Cb 0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2gds s ALA 139 CO 0.03 0.33 -0.23 0.00 0.00 0.00 0.00 175.76 175.88 2gds s PRO 141 N -0.11 4.69 5.63 0.00 0.04 -1.26 -0.70 135.00 143.29 2gds s PRO 141 Ca -0.05 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2gds s PRO 141 Cb -0.14 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2gds s PRO 141 CO 0.04 0.48 0.00 0.09 0.04 0.00 0.00 177.00 177.65 2gds n ASN 142 N 1.27 0.00 -1.37 6.66 3.02 0.15 -1.63 115.26 123.37 2gds n ASN 142 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 2gds n ASN 142 Cb 0.48 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.98 2gds n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gds n GLN 143 N 14.00 2.73 -1.61 3.52 1.13 -1.26 -4.29 117.38 131.60 2gds n GLN 143 Ca 0.00 -2.68 -0.48 0.00 -1.94 0.00 0.00 57.00 51.90 2gds n GLN 143 Cb 0.00 -1.58 -0.05 0.00 0.11 0.00 0.00 30.24 28.72 2gds n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2gds n ASP 144 N 1.68 3.11 -4.76 1.08 10.43 -0.64 -3.94 116.55 123.50 2gds n ASP 144 Ca 0.25 0.69 -0.34 0.00 2.57 0.00 0.00 54.79 57.95 2gds n ASP 144 Cb 0.63 -1.38 0.04 0.00 1.84 0.00 0.00 41.12 42.24 2gds n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 2gds s PRO 145 N 5.04 2.90 0.00 -0.24 0.04 -1.26 -4.61 135.00 136.88 2gds s PRO 145 Ca 0.98 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2gds s PRO 145 Cb -0.66 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2gds s PRO 145 CO 0.48 -1.21 0.87 1.25 0.04 0.00 0.00 177.00 178.43 2gds h LEU 146 N 0.52 -0.07 -1.56 -3.56 5.85 -1.91 -2.85 115.31 111.73 2gds h LEU 146 Ca -0.49 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.28 2gds h LEU 146 Cb 1.27 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 2gds h LEU 146 CO 0.54 -0.05 0.35 -0.61 -0.34 0.00 0.00 178.44 178.34 2gds h GLN 147 N -0.10 0.55 -0.02 1.25 4.15 -1.75 0.51 115.11 119.70 2gds h GLN 147 Ca -0.01 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 2gds h GLN 147 Cb 0.07 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2gds h GLN 147 CO 0.01 0.36 -0.77 0.78 -1.93 0.00 0.00 178.83 177.29 2gds h GLY 148 N 0.57 0.19 0.00 2.39 0.00 -1.87 -1.21 103.07 103.13 2gds h GLY 148 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2gds h GLY 148 CO -0.06 0.26 -1.45 -1.30 0.00 0.00 0.00 176.54 173.99 2gds n THR 149 N -3.72 0.00 -0.01 4.70 -2.24 -1.07 -4.73 114.28 107.21 2gds n THR 149 Ca -0.03 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 2gds n THR 149 Cb 0.73 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 2gds n THR 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gds n THR 150 N -1.86 0.10 0.00 4.28 -1.04 0.18 -5.03 114.28 110.91 2gds n THR 150 Ca -0.01 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2gds n THR 150 Cb 0.39 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 2gds n THR 150 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gds n GLY 151 N 3.10 3.06 3.76 3.41 0.00 -0.46 -4.97 105.19 113.09 2gds n GLY 151 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2gds n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gds s LEU 152 N 0.00 4.37 -0.13 0.99 1.43 -1.26 -4.76 118.68 119.31 2gds s LEU 152 Ca 0.00 2.83 -0.28 0.00 -1.03 0.00 0.00 54.13 55.66 2gds s LEU 152 Cb 0.00 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2gds s LEU 152 CO 0.00 -0.78 0.93 -0.63 0.23 0.00 0.00 176.35 176.10 2gds s ILE 153 N -0.37 4.83 0.08 -0.59 1.01 -0.85 -2.26 121.20 123.05 2gds s ILE 153 Ca 0.58 1.86 -0.31 0.00 0.00 0.00 0.00 60.65 62.78 2gds s ILE 153 Cb -0.44 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 37.71 2gds s ILE 153 CO 0.50 0.02 1.53 -2.16 0.00 0.00 0.00 174.94 174.83 2gds s PRO 154 N 2.01 4.24 -0.08 2.79 0.04 -1.26 -0.93 135.00 141.81 2gds s PRO 154 Ca 0.44 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 2gds s PRO 154 Cb -0.18 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 2gds s PRO 154 CO 0.16 -0.62 -0.09 1.28 0.04 0.00 0.00 177.00 177.77 2gds n LEU 155 N 4.93 2.17 -3.72 -3.56 4.77 -0.58 -4.90 117.00 116.11 2gds n LEU 155 Ca 0.14 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2gds n LEU 155 Cb 0.41 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 2gds n LEU 155 CO 0.61 0.48 -0.09 -0.22 -1.33 0.00 0.00 177.39 176.84 2gds s LEU 156 N -5.82 0.28 0.11 2.23 2.96 -0.88 -4.50 118.68 113.06 2gds s LEU 156 Ca -0.11 0.60 0.09 0.00 -0.22 0.00 0.00 54.13 54.49 2gds s LEU 156 Cb 0.03 0.85 -0.04 0.00 0.50 0.00 0.00 46.19 47.54 2gds s LEU 156 CO 0.17 -0.17 -0.23 -0.83 -1.32 0.00 0.00 176.35 173.97 2gds s GLY 157 N 1.35 1.33 -0.26 7.98 0.00 -1.26 -1.01 107.32 115.45 2gds s GLY 157 Ca -0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.31 2gds s GLY 157 CO -0.09 -1.30 0.06 -0.42 0.00 0.00 0.00 173.10 171.35 2gds s ILE 158 N -1.12 0.74 -0.12 0.90 1.01 -0.04 -4.89 121.20 117.68 2gds s ILE 158 Ca 0.09 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 2gds s ILE 158 Cb -0.10 -1.40 -0.06 0.00 0.01 0.00 0.00 42.46 40.92 2gds s ILE 158 CO 0.05 -0.45 1.88 -0.62 0.00 0.00 0.00 174.94 175.80 2gds s ASP 159 N 1.72 6.20 -0.19 3.58 3.68 -1.26 -1.80 116.67 128.60 2gds s ASP 159 Ca 0.04 2.09 0.15 0.00 2.13 0.00 0.00 52.55 56.97 2gds s ASP 159 Cb -0.17 -2.53 0.48 0.00 -1.45 0.00 0.00 42.92 39.25 2gds s ASP 159 CO -0.18 -1.33 1.37 1.33 0.13 0.00 0.00 175.17 176.50 2gds n VAL 160 N 6.36 2.26 -2.12 1.11 0.24 -0.40 -4.83 118.33 120.96 2gds n VAL 160 Ca 0.22 -2.17 -0.34 0.00 -2.04 0.00 0.00 64.34 60.01 2gds n VAL 160 Cb 0.44 -0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.55 2gds n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2gds s TRP 161 N -2.94 2.69 0.51 6.34 0.52 -1.21 -4.42 118.94 120.43 2gds s TRP 161 Ca 0.41 1.55 0.26 0.00 0.02 0.00 0.00 56.10 58.33 2gds s TRP 161 Cb 0.34 -3.23 1.57 0.00 -1.15 0.00 0.00 33.47 31.00 2gds s TRP 161 CO 0.05 -1.54 2.16 0.93 0.02 0.00 0.00 176.95 178.57 2gds h GLU 162 N 0.84 0.00 0.00 4.98 5.08 -1.94 -2.03 114.58 121.52 2gds h GLU 162 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2gds h GLU 162 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2gds h GLU 162 CO 0.56 0.06 0.00 1.12 -1.00 0.00 0.00 179.01 179.75 2gds h HIS 163 N 0.00 0.00 -0.00 4.33 2.07 -1.98 0.32 115.15 119.89 2gds h HIS 163 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2gds h HIS 163 Cb 0.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.12 2gds h HIS 163 CO 0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 177.93 174.81 2gds n ALA 164 N -1.89 2.68 0.00 6.11 0.00 -0.76 -4.63 120.51 122.01 2gds n ALA 164 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2gds n ALA 164 Cb 0.20 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2gds n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2gds n TYR 165 N -0.86 0.00 -0.41 0.00 4.11 -0.81 -4.98 117.16 114.21 2gds n TYR 165 Ca 0.18 0.00 0.33 0.00 -0.00 0.00 0.00 57.90 58.41 2gds n TYR 165 Cb 0.24 0.00 0.61 0.00 -0.00 0.00 0.00 39.34 40.19 2gds n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 2gds h TYR 166 N 0.00 0.58 0.00 -3.48 3.20 -0.54 0.85 116.97 117.57 2gds h TYR 166 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2gds h TYR 166 Cb 0.00 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 2gds h TYR 166 CO 0.00 -0.17 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.20 2gds h LEU 167 N 0.15 0.00 0.00 2.82 3.38 -1.87 -1.30 115.31 118.50 2gds h LEU 167 Ca 0.77 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.74 2gds h LEU 167 Cb 2.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.06 2gds h LEU 167 CO -0.42 0.09 -0.41 1.67 0.09 0.00 0.00 178.44 179.46 2gds n GLN 168 N -3.54 0.22 -0.01 1.13 7.27 0.27 -4.76 117.38 117.95 2gds n GLN 168 Ca -0.02 0.09 0.14 0.00 0.07 0.00 0.00 57.00 57.27 2gds n GLN 168 Cb 0.22 -0.81 0.62 0.00 2.41 0.00 0.00 30.24 32.67 2gds n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2gds n TYR 169 N -3.57 0.03 -2.47 3.69 4.02 0.47 -5.02 117.16 114.31 2gds n TYR 169 Ca -0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2gds n TYR 169 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 2gds n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2gds n LYS 170 N -0.18 0.00 0.29 -0.72 5.02 -0.49 -2.39 118.16 119.69 2gds n LYS 170 Ca 0.20 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.67 2gds n LYS 170 Cb 0.27 0.00 0.80 0.00 -0.02 0.00 0.00 35.03 36.07 2gds n LYS 170 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 2gds h ASN 171 N 4.95 0.00 -1.18 4.39 -1.07 -1.95 -3.37 115.58 117.35 2gds h ASN 171 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 2gds h ASN 171 Cb 0.00 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 36.15 2gds h ASN 171 CO 0.00 0.00 1.47 -0.69 0.07 0.00 0.00 177.43 178.28 2gds s VAL 172 N -3.76 3.97 0.19 6.14 1.01 -1.01 -4.85 120.40 122.09 2gds s VAL 172 Ca -0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 2gds s VAL 172 Cb 0.10 -5.05 0.09 0.00 0.00 0.00 0.00 36.38 31.52 2gds s VAL 172 CO 0.51 -1.92 1.68 -0.09 0.00 0.00 0.00 175.10 175.28 2gds h ARG 173 N 9.71 1.10 -0.88 2.72 2.43 -1.85 -3.08 114.38 124.53 2gds h ARG 173 Ca 0.20 -0.31 0.20 0.00 -0.81 0.00 0.00 59.98 59.26 2gds h ARG 173 Cb 1.01 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 2gds h ARG 173 CO 1.41 1.02 0.59 -1.35 -1.51 0.00 0.00 179.97 180.13 2gds h PRO 174 N 1.02 0.36 -0.32 0.20 0.11 -1.98 -1.81 132.00 129.58 2gds h PRO 174 Ca 0.19 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 2gds h PRO 174 Cb 0.48 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2gds h PRO 174 CO 0.02 0.24 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.58 2gds h ASP 175 N 0.37 0.57 -0.95 -2.05 3.32 -1.93 0.05 116.42 115.80 2gds h ASP 175 Ca 0.45 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 57.20 2gds h ASP 175 Cb 1.17 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 2gds h ASP 175 CO -0.15 0.77 0.62 0.22 -1.72 0.00 0.00 179.24 178.97 2gds h TYR 176 N 0.37 1.17 -0.34 4.55 -0.00 -1.43 -1.16 116.97 120.12 2gds h TYR 176 Ca 0.09 0.03 -0.11 0.00 -0.00 0.00 0.00 58.73 58.74 2gds h TYR 176 Cb 0.49 -0.39 -0.01 0.00 -0.00 0.00 0.00 36.73 36.82 2gds h TYR 176 CO 0.04 0.68 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.61 2gds h LEU 177 N 1.21 0.77 -0.67 2.82 3.38 -1.09 0.58 115.31 122.31 2gds h LEU 177 Ca 0.37 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2gds h LEU 177 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2gds h LEU 177 CO -0.11 1.02 0.37 0.11 0.09 0.00 0.00 178.44 179.92 2gds h LYS 178 N 0.51 0.93 -0.15 1.13 1.57 -0.67 -3.15 116.57 116.74 2gds h LYS 178 Ca 0.07 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2gds h LYS 178 Cb 0.75 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2gds h LYS 178 CO 0.06 0.70 -0.02 0.00 -0.57 0.00 0.00 179.45 179.62 2gds h ALA 179 N 1.18 0.21 -0.43 3.86 0.00 -1.10 -3.23 119.26 119.74 2gds h ALA 179 Ca 0.24 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2gds h ALA 179 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2gds h ALA 179 CO -0.04 -0.07 0.39 0.97 0.00 0.00 0.00 179.25 180.51 2gds h ILE 180 N 0.00 0.51 0.00 0.00 2.10 -0.84 -0.38 117.51 118.90 2gds h ILE 180 Ca 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.98 2gds h ILE 180 Cb 0.42 0.70 -0.00 0.00 -1.09 0.00 0.00 36.82 36.85 2gds h ILE 180 CO 0.01 0.00 -0.02 -0.50 -1.08 0.00 0.00 178.15 176.56 2gds h TRP 181 N 0.00 0.00 -0.08 2.19 4.06 -1.60 -2.60 115.95 117.91 2gds h TRP 181 Ca 0.20 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.01 2gds h TRP 181 Cb 0.98 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 2gds h TRP 181 CO 0.00 0.02 -0.59 -0.91 -3.56 0.00 0.00 178.44 173.40 2gds h ASN 182 N 0.00 0.31 -0.50 -3.49 2.35 -1.26 -3.25 115.58 109.73 2gds h ASN 182 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2gds h ASN 182 Cb 0.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2gds h ASN 182 CO 0.00 0.83 0.00 1.33 -1.65 0.00 0.00 177.43 177.94 2gds n VAL 183 N -3.89 1.60 -2.20 2.81 0.24 -0.99 -3.08 118.33 112.82 2gds n VAL 183 Ca -0.02 -1.25 -0.42 0.00 -2.04 0.00 0.00 64.34 60.61 2gds n VAL 183 Cb 0.61 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 2gds n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2gds s ILE 184 N -1.70 3.56 -1.29 1.34 1.01 -1.15 0.14 121.20 123.10 2gds s ILE 184 Ca 0.41 1.03 -0.17 0.00 0.00 0.00 0.00 60.65 61.92 2gds s ILE 184 Cb 0.26 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 39.16 2gds s ILE 184 CO 0.20 0.03 1.70 -3.20 0.00 0.00 0.00 174.94 173.67 2gds n ASN 185 N 4.84 4.96 0.00 3.58 2.85 0.27 -0.27 115.26 131.48 2gds n ASN 185 Ca 0.12 -2.93 0.04 0.00 -0.11 0.00 0.00 54.58 51.70 2gds n ASN 185 Cb 0.43 -1.71 0.21 0.00 1.24 0.00 0.00 39.78 39.95 2gds n ASN 185 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2gds n TRP 186 N 7.78 0.00 -0.00 1.20 7.02 -1.26 -1.43 117.44 130.74 2gds n TRP 186 Ca 0.47 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.80 2gds n TRP 186 Cb 0.45 -0.04 -0.14 0.00 -2.42 0.00 0.00 31.31 29.16 2gds n TRP 186 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2gds h GLU 187 N 0.00 0.14 -0.22 -0.99 4.81 -1.95 -3.22 114.58 113.15 2gds h GLU 187 Ca 0.00 -0.23 -0.19 0.00 -0.13 0.00 0.00 59.36 58.80 2gds h GLU 187 Cb 0.01 0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.48 2gds h GLU 187 CO 0.00 0.86 -0.63 -0.97 -0.73 0.00 0.00 179.01 177.54 2gds h ASN 188 N 0.04 0.93 -0.33 1.04 -0.73 -1.52 -2.96 115.58 112.05 2gds h ASN 188 Ca -0.34 -0.58 -0.05 0.00 1.87 0.00 0.00 56.30 57.20 2gds h ASN 188 Cb 2.02 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 40.33 2gds h ASN 188 CO 0.09 1.34 0.02 -0.37 -0.37 0.00 0.00 177.43 178.15 2gds h VAL 189 N 0.56 1.25 -0.81 2.57 -1.51 -1.69 -1.41 116.25 115.21 2gds h VAL 189 Ca -0.02 -0.90 0.10 0.00 -1.23 0.00 0.00 66.70 64.66 2gds h VAL 189 Cb 1.25 1.20 -0.06 0.00 -2.13 0.00 0.00 31.29 31.55 2gds h VAL 189 CO 0.13 0.30 0.53 0.74 -1.23 0.00 0.00 177.57 178.04 2gds h THR 190 N 0.37 0.93 -0.11 7.19 2.02 -1.60 0.30 112.91 122.01 2gds h THR 190 Ca 0.10 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2gds h THR 190 Cb 0.40 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2gds h THR 190 CO 0.01 0.13 -0.06 -0.33 0.37 0.00 0.00 175.52 175.65 2gds h GLU 191 N 0.72 0.23 -0.68 6.66 5.08 -1.27 0.34 114.58 125.66 2gds h GLU 191 Ca 0.38 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2gds h GLU 191 Cb 0.50 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2gds h GLU 191 CO -0.15 0.59 0.25 0.00 -1.00 0.00 0.00 179.01 178.70 2gds h ARG 192 N -0.12 1.01 0.03 2.33 3.08 -0.27 -1.79 114.38 118.65 2gds h ARG 192 Ca 0.02 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2gds h ARG 192 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2gds h ARG 192 CO 0.02 0.84 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.82 2gds h TYR 193 N 0.99 -0.04 0.00 3.04 5.03 -0.37 -2.76 116.97 122.85 2gds h TYR 193 Ca 0.23 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 2gds h TYR 193 Cb 0.22 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 2gds h TYR 193 CO 0.02 0.20 -0.03 0.52 -1.32 0.00 0.00 178.16 177.55 2gds h MET 194 N -0.29 0.00 0.00 1.82 2.86 -0.76 -0.64 114.93 117.92 2gds h MET 194 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2gds h MET 194 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2gds h MET 194 CO 0.01 0.03 0.00 0.00 1.06 0.00 0.00 176.91 178.01 2gds h ALA 195 N 1.97 1.00 0.18 6.32 0.00 -1.03 -3.26 119.26 124.43 2gds h ALA 195 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2gds h ALA 195 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.92 2gds h ALA 195 CO 0.00 0.00 -1.36 0.00 0.00 0.00 0.00 179.25 177.89 2gds n LYS 197 N -3.60 1.94 0.00 0.00 5.02 -1.22 -5.03 118.16 115.28 2gds n LYS 197 Ca -0.12 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.28 2gds n LYS 197 Cb 1.06 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 34.53 2gds n LYS 197 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05