#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yxm n GLY 4 N 0.00 -0.96 0.34 0.46 0.00 -1.26 -2.89 105.19 100.88 2yxm n GLY 4 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2yxm n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yxm h SER 5 N 0.00 0.90 0.07 1.61 0.87 -2.06 0.18 113.55 115.12 2yxm h SER 5 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2yxm h SER 5 Cb 0.21 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2yxm h SER 5 CO 0.00 0.58 0.00 -1.54 -0.53 0.00 0.00 176.83 175.34 2yxm n SER 6 N -4.58 0.00 -0.51 6.23 3.41 -1.14 -2.34 113.62 114.69 2yxm n SER 6 Ca 0.13 -0.47 0.05 0.00 -0.26 0.00 0.00 58.87 58.32 2yxm n SER 6 Cb 0.18 -0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.16 2yxm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yxm n GLY 7 N 0.23 1.00 3.68 5.00 0.00 0.04 -5.01 105.19 110.12 2yxm n GLY 7 Ca 0.13 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 2yxm n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yxm n ALA 8 N 0.55 1.45 0.00 4.61 0.00 -0.99 -4.60 120.51 121.53 2yxm n ALA 8 Ca 0.08 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2yxm n ALA 8 Cb 0.33 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2yxm n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yxm n ALA 9 N 4.67 1.52 -2.55 0.00 0.00 -1.26 -4.95 120.51 117.94 2yxm n ALA 9 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 2yxm n ALA 9 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 2yxm n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2yxm s PHE 10 N -1.26 3.23 0.09 0.00 0.08 -1.26 -2.39 117.98 116.48 2yxm s PHE 10 Ca 0.00 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.89 2yxm s PHE 10 Cb 0.00 -2.46 -0.25 0.00 -0.57 0.00 0.00 43.02 39.75 2yxm s PHE 10 CO 0.00 -0.33 1.20 0.00 -0.10 0.00 0.00 175.22 176.00 2yxm h ALA 11 N 8.47 0.20 -3.22 5.36 0.00 -0.62 -3.45 119.26 126.00 2yxm h ALA 11 Ca -0.32 -0.89 -0.25 0.00 0.00 0.00 0.00 54.91 53.45 2yxm h ALA 11 Cb 1.16 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.58 2yxm h ALA 11 CO 0.62 1.07 -0.60 0.21 0.00 0.00 0.00 179.25 180.55 2yxm s LYS 12 N -2.70 0.09 0.53 0.00 2.20 -0.74 -4.94 119.74 114.19 2yxm s LYS 12 Ca -0.02 0.40 0.09 0.00 -0.36 0.00 0.00 55.97 56.08 2yxm s LYS 12 Cb 0.08 -0.19 0.06 0.00 -1.51 0.00 0.00 37.83 36.27 2yxm s LYS 12 CO 0.86 -0.18 0.65 0.96 -0.36 0.00 0.00 175.35 177.28 2yxm s ILE 13 N 1.32 2.26 0.57 5.43 -4.36 -1.26 -1.19 121.20 123.97 2yxm s ILE 13 Ca -0.08 -1.11 -0.19 0.00 -0.26 0.00 0.00 60.65 59.02 2yxm s ILE 13 Cb -0.12 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 2yxm s ILE 13 CO -0.06 0.00 1.15 -0.76 0.24 0.00 0.00 174.94 175.50 2yxm s LEU 14 N -4.50 3.68 0.82 0.37 1.43 -1.26 -4.83 118.68 114.39 2yxm s LEU 14 Ca 0.55 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.75 2yxm s LEU 14 Cb -0.06 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.67 2yxm s LEU 14 CO 0.34 -1.37 1.09 -1.81 0.23 0.00 0.00 176.35 174.83 2yxm s ASP 15 N -1.84 4.04 0.35 2.29 1.01 -1.26 -4.92 116.67 116.34 2yxm s ASP 15 Ca 0.73 1.75 0.04 0.00 0.71 0.00 0.00 52.55 55.78 2yxm s ASP 15 Cb -0.25 -2.42 0.68 0.00 1.01 0.00 0.00 42.92 41.95 2yxm s ASP 15 CO 0.30 -2.32 1.96 -0.65 0.21 0.00 0.00 175.17 174.68 2yxm h PRO 16 N -1.33 0.80 -2.51 8.23 0.11 -1.95 -3.41 132.00 131.94 2yxm h PRO 16 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2yxm h PRO 16 Cb 1.25 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 2yxm h PRO 16 CO 0.52 0.53 0.26 0.00 -0.21 0.00 0.00 178.00 179.09 2yxm s ALA 17 N -5.72 -1.70 0.09 -0.75 0.00 -1.26 -2.42 121.76 110.00 2yxm s ALA 17 Ca -0.10 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.76 2yxm s ALA 17 Cb 0.19 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2yxm s ALA 17 CO 0.77 -0.60 -0.07 0.71 0.00 0.00 0.00 175.76 176.57 2yxm s TYR 18 N -2.70 0.89 0.16 0.00 2.02 0.07 -4.92 117.35 112.88 2yxm s TYR 18 Ca -0.03 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 55.87 2yxm s TYR 18 Cb -0.01 -0.51 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 2yxm s TYR 18 CO -0.04 -0.13 -0.10 1.14 -1.57 0.00 0.00 175.55 174.85 2yxm s GLN 19 N -3.56 1.13 -0.08 -0.62 1.03 -1.26 -0.42 119.66 115.89 2yxm s GLN 19 Ca 0.09 -1.50 -0.30 0.00 0.04 0.00 0.00 55.36 53.70 2yxm s GLN 19 Cb 0.03 -0.71 0.07 0.00 0.03 0.00 0.00 33.01 32.43 2yxm s GLN 19 CO -0.04 0.08 0.68 0.54 -2.54 0.00 0.00 175.29 174.01 2yxm s VAL 20 N -3.27 0.00 0.39 3.63 0.11 -0.50 -4.91 120.40 115.84 2yxm s VAL 20 Ca 0.19 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 2yxm s VAL 20 Cb 0.02 -0.99 -0.09 0.00 -1.53 0.00 0.00 36.38 33.79 2yxm s VAL 20 CO 0.02 -0.01 0.84 -1.81 -3.33 0.00 0.00 175.10 170.82 2yxm s ASP 21 N -0.95 6.80 0.23 3.54 1.01 -1.26 -0.51 116.67 125.54 2yxm s ASP 21 Ca -0.09 1.45 -0.31 0.00 0.71 0.00 0.00 52.55 54.30 2yxm s ASP 21 Cb -0.01 -2.45 -0.13 0.00 1.01 0.00 0.00 42.92 41.34 2yxm s ASP 21 CO 0.08 -0.31 1.44 0.29 0.21 0.00 0.00 175.17 176.88 2yxm n LYS 22 N -0.65 2.11 -0.26 8.23 5.02 -1.16 -0.36 118.16 131.08 2yxm n LYS 22 Ca 0.05 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 2yxm n LYS 22 Cb 0.54 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 2yxm n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yxm n GLY 23 N 2.31 1.92 3.98 0.72 0.00 0.20 -4.92 105.19 109.39 2yxm n GLY 23 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2yxm n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yxm s GLY 24 N -1.94 1.78 -0.04 -0.02 0.00 0.52 -4.15 107.32 103.47 2yxm s GLY 24 Ca 0.00 -1.66 0.07 0.00 0.00 0.00 0.00 44.72 43.13 2yxm s GLY 24 CO 0.00 -0.95 -0.24 -1.60 0.00 0.00 0.00 173.10 170.31 2yxm s ARG 25 N -5.50 2.36 0.07 2.90 3.52 -1.26 -0.70 118.95 120.34 2yxm s ARG 25 Ca 0.72 -0.89 0.08 0.00 -0.13 0.00 0.00 55.73 55.50 2yxm s ARG 25 Cb -0.03 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 2yxm s ARG 25 CO 0.49 0.48 -0.17 0.54 -0.81 0.00 0.00 175.30 175.83 2yxm s VAL 26 N -0.41 2.85 -0.16 7.11 0.11 -0.77 -4.97 120.40 124.16 2yxm s VAL 26 Ca 0.04 -1.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 2yxm s VAL 26 Cb -0.12 -2.25 0.02 0.00 -1.53 0.00 0.00 36.38 32.50 2yxm s VAL 26 CO 0.01 0.23 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.23 2yxm s ARG 27 N -1.75 2.80 -0.12 1.54 3.52 -1.26 -1.52 118.95 122.15 2yxm s ARG 27 Ca 0.16 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 2yxm s ARG 27 Cb -0.11 -2.40 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 2yxm s ARG 27 CO 0.08 -0.17 0.03 -0.06 -0.81 0.00 0.00 175.30 174.37 2yxm s PHE 28 N 1.22 3.22 -0.01 5.12 0.08 0.32 -4.98 117.98 122.95 2yxm s PHE 28 Ca 0.02 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.22 2yxm s PHE 28 Cb -0.14 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2yxm s PHE 28 CO -0.10 0.37 -0.02 0.08 -0.10 0.00 0.00 175.22 175.45 2yxm s VAL 29 N -0.46 0.24 0.12 -0.44 1.01 -1.26 -1.28 120.40 118.33 2yxm s VAL 29 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2yxm s VAL 29 Cb -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2yxm s VAL 29 CO 0.02 0.10 -0.09 0.68 0.00 0.00 0.00 175.10 175.80 2yxm s VAL 30 N 0.27 0.98 -0.09 2.92 -7.23 -0.70 -4.41 120.40 112.15 2yxm s VAL 30 Ca -0.03 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2yxm s VAL 30 Cb -0.05 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.28 2yxm s VAL 30 CO -0.01 -0.69 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.20 2yxm s GLU 31 N -3.36 2.47 0.28 4.82 2.12 -0.34 -1.10 118.70 123.59 2yxm s GLU 31 Ca 0.11 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.79 2yxm s GLU 31 Cb 0.01 -1.93 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 2yxm s GLU 31 CO -0.01 0.10 0.43 -0.51 -0.54 0.00 0.00 175.26 174.74 2yxm s LEU 32 N 0.51 4.20 0.05 2.70 1.43 0.28 0.06 118.68 127.91 2yxm s LEU 32 Ca -0.16 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2yxm s LEU 32 Cb -0.17 -3.03 -0.33 0.00 0.03 0.00 0.00 46.19 42.69 2yxm s LEU 32 CO 0.06 -0.15 1.05 0.00 0.23 0.00 0.00 176.35 177.53 2yxm h ALA 33 N 1.03 -0.06 -2.57 4.21 0.00 -1.79 -3.42 119.26 116.66 2yxm h ALA 33 Ca -0.51 -0.88 -0.70 0.00 0.00 0.00 0.00 54.91 52.82 2yxm h ALA 33 Cb 1.23 0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.94 2yxm h ALA 33 CO 0.61 0.81 -0.42 0.34 0.00 0.00 0.00 179.25 180.59 2yxm s ASP 34 N -7.42 6.10 0.05 0.00 -1.08 -1.26 -4.96 116.67 108.11 2yxm s ASP 34 Ca -0.07 -0.69 0.10 0.00 -0.52 0.00 0.00 52.55 51.36 2yxm s ASP 34 Cb 0.05 -2.16 0.44 0.00 -1.46 0.00 0.00 42.92 39.80 2yxm s ASP 34 CO 0.92 -0.38 1.31 -0.81 0.52 0.00 0.00 175.17 176.73 2yxm n PRO 35 N 5.18 0.03 0.00 4.34 -0.04 -1.26 -1.97 135.00 141.28 2yxm n PRO 35 Ca -0.11 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2yxm n PRO 35 Cb 0.48 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2yxm n PRO 35 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2yxm n LYS 36 N -1.63 0.40 -2.21 0.54 4.76 -1.26 -4.77 118.16 113.99 2yxm n LYS 36 Ca 0.01 -0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 54.94 2yxm n LYS 36 Cb 0.09 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 2yxm n LYS 36 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2yxm s LEU 37 N -2.90 4.44 0.24 -0.35 2.96 -0.83 -5.02 118.68 117.22 2yxm s LEU 37 Ca 0.09 2.49 -0.09 0.00 -0.22 0.00 0.00 54.13 56.39 2yxm s LEU 37 Cb 0.16 -3.63 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 2yxm s LEU 37 CO 0.80 -0.48 0.56 -1.61 -1.32 0.00 0.00 176.35 174.31 2yxm s GLU 38 N -0.85 3.79 0.16 1.98 0.41 -1.26 -5.04 118.70 117.89 2yxm s GLU 38 Ca 0.53 0.27 0.06 0.00 -0.41 0.00 0.00 54.97 55.42 2yxm s GLU 38 Cb -0.37 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 2yxm s GLU 38 CO 0.44 0.29 -0.13 0.14 -0.49 0.00 0.00 175.26 175.51 2yxm s VAL 39 N -1.87 1.44 -0.02 2.63 -7.23 -1.26 -4.46 120.40 109.63 2yxm s VAL 39 Ca 0.47 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 2yxm s VAL 39 Cb -0.11 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 2yxm s VAL 39 CO 0.22 -0.61 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.75 2yxm s LYS 40 N -3.44 1.08 0.01 4.82 1.02 -1.02 -4.97 119.74 117.23 2yxm s LYS 40 Ca 0.17 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.77 2yxm s LYS 40 Cb -0.01 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 2yxm s LYS 40 CO 0.04 0.20 0.02 -1.58 -0.92 0.00 0.00 175.35 173.11 2yxm s TRP 41 N -0.07 3.10 0.03 3.18 0.52 -1.26 -0.86 118.94 123.58 2yxm s TRP 41 Ca 0.01 0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.24 2yxm s TRP 41 Cb -0.07 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 2yxm s TRP 41 CO 0.00 0.48 -0.09 0.71 0.02 0.00 0.00 176.95 178.07 2yxm s TYR 42 N -1.14 0.82 -0.26 -1.98 2.02 0.57 -0.24 117.35 117.14 2yxm s TYR 42 Ca 0.21 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2yxm s TYR 42 Cb -0.12 -0.49 0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2yxm s TYR 42 CO 0.12 -0.02 -0.06 0.21 -1.57 0.00 0.00 175.55 174.23 2yxm s LYS 43 N -1.09 2.68 -1.39 -0.62 2.20 0.56 -1.78 119.74 120.30 2yxm s LYS 43 Ca -0.03 -1.08 -0.12 0.00 -0.36 0.00 0.00 55.97 54.38 2yxm s LYS 43 Cb -0.07 -2.99 0.10 0.00 -1.51 0.00 0.00 37.83 33.35 2yxm s LYS 43 CO 0.01 -0.46 0.59 -1.71 -0.36 0.00 0.00 175.35 173.42 2yxm n ASN 44 N 4.63 -3.64 0.00 1.43 4.05 -0.39 -1.16 115.26 120.17 2yxm n ASN 44 Ca -0.16 -0.57 0.00 0.00 0.45 0.00 0.00 54.58 54.31 2yxm n ASN 44 Cb 0.46 -3.00 0.00 0.00 1.23 0.00 0.00 39.78 38.47 2yxm n ASN 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2yxm n GLY 45 N -1.25 0.66 3.47 8.20 0.00 -1.26 -5.06 105.19 109.95 2yxm n GLY 45 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2yxm n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yxm s GLN 46 N -0.77 3.49 0.25 1.61 -1.52 -0.31 -5.05 119.66 117.36 2yxm s GLN 46 Ca 0.00 -0.57 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 2yxm s GLN 46 Cb 0.00 -2.80 -0.11 0.00 -0.22 0.00 0.00 33.01 29.88 2yxm s GLN 46 CO 0.00 0.29 1.57 -2.00 -0.25 0.00 0.00 175.29 174.89 2yxm s GLU 47 N 0.21 4.17 0.00 2.91 2.12 -1.26 -0.32 118.70 126.53 2yxm s GLU 47 Ca -0.04 2.48 -0.16 0.00 0.36 0.00 0.00 54.97 57.61 2yxm s GLU 47 Cb -0.14 -3.07 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 2yxm s GLU 47 CO 0.04 -0.59 0.44 0.42 -0.54 0.00 0.00 175.26 175.02 2yxm s ILE 48 N 0.31 5.00 0.19 -3.70 1.01 0.67 -4.86 121.20 119.82 2yxm s ILE 48 Ca 0.65 0.91 0.09 0.00 0.00 0.00 0.00 60.65 62.29 2yxm s ILE 48 Cb -0.46 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2yxm s ILE 48 CO 0.42 0.55 -0.17 -0.13 0.00 0.00 0.00 174.94 175.61 2yxm s ARG 49 N -0.92 1.34 0.22 2.79 1.81 -1.26 -4.57 118.95 118.36 2yxm s ARG 49 Ca 0.25 -1.51 -0.32 0.00 -1.72 0.00 0.00 55.73 52.43 2yxm s ARG 49 Cb -0.17 -1.31 -0.13 0.00 -0.45 0.00 0.00 34.95 32.88 2yxm s ARG 49 CO 0.14 0.25 1.47 -2.30 -0.68 0.00 0.00 175.30 174.18 2yxm n PRO 50 N -0.04 2.12 0.00 3.54 -0.02 -1.26 -4.66 135.00 134.68 2yxm n PRO 50 Ca -0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2yxm n PRO 50 Cb 0.58 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2yxm n PRO 50 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2yxm n SER 51 N 2.52 0.00 0.04 2.55 3.41 -0.30 -4.96 113.62 116.88 2yxm n SER 51 Ca 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.72 2yxm n SER 51 Cb 0.31 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 2yxm n SER 51 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2yxm h THR 52 N 0.00 0.74 0.05 6.66 1.35 -2.01 -3.32 112.91 116.38 2yxm h THR 52 Ca 0.00 -2.31 -0.25 0.00 -0.55 0.00 0.00 66.41 63.29 2yxm h THR 52 Cb 0.00 2.25 0.01 0.00 -1.73 0.00 0.00 68.15 68.68 2yxm h THR 52 CO 0.00 0.42 -1.07 0.11 -0.25 0.00 0.00 175.52 174.74 2yxm h LYS 53 N 0.00 0.48 -4.96 4.72 1.79 -1.93 -3.43 116.57 113.24 2yxm h LYS 53 Ca -0.15 -0.57 -0.67 0.00 -2.18 0.00 0.00 60.65 57.08 2yxm h LYS 53 Cb 1.66 0.18 -0.32 0.00 -1.58 0.00 0.00 32.23 32.16 2yxm h LYS 53 CO 0.06 1.21 -0.77 0.71 -1.08 0.00 0.00 179.45 179.58 2yxm s TYR 54 N -3.12 2.99 -0.14 -1.35 2.02 -1.25 -0.75 117.35 115.74 2yxm s TYR 54 Ca -0.07 -1.52 0.01 0.00 -0.37 0.00 0.00 57.07 55.12 2yxm s TYR 54 Cb 0.08 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2yxm s TYR 54 CO 0.89 -0.73 -0.16 0.42 -1.57 0.00 0.00 175.55 174.41 2yxm s ILE 55 N 1.33 2.72 -0.05 2.71 1.01 -0.77 -1.15 121.20 126.98 2yxm s ILE 55 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2yxm s ILE 55 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2yxm s ILE 55 CO -0.06 0.52 -0.03 -0.36 0.00 0.00 0.00 174.94 175.01 2yxm s PHE 56 N 0.61 3.04 0.03 3.97 0.08 -1.26 -0.73 117.98 123.71 2yxm s PHE 56 Ca -0.09 0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.08 2yxm s PHE 56 Cb -0.16 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2yxm s PHE 56 CO 0.03 0.41 -0.09 -1.21 -0.10 0.00 0.00 175.22 174.26 2yxm s GLU 57 N -1.04 0.61 -0.22 0.44 2.02 -0.42 -4.99 118.70 115.10 2yxm s GLU 57 Ca 0.14 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.55 2yxm s GLU 57 Cb -0.11 -0.52 0.06 0.00 0.10 0.00 0.00 34.13 33.66 2yxm s GLU 57 CO 0.04 0.12 -0.03 -1.58 0.02 0.00 0.00 175.26 173.83 2yxm s HIS 58 N -0.83 2.02 -0.45 1.61 5.65 -1.26 -0.63 115.29 121.39 2yxm s HIS 58 Ca -0.03 -1.48 0.03 0.00 0.25 0.00 0.00 55.06 53.84 2yxm s HIS 58 Cb -0.07 -1.43 0.12 0.00 -1.18 0.00 0.00 32.58 30.03 2yxm s HIS 58 CO 0.00 -0.72 0.20 0.15 -0.65 0.00 0.00 174.74 173.72 2yxm s LYS 59 N 1.52 1.68 6.11 2.88 1.02 -0.55 -5.00 119.74 127.40 2yxm s LYS 59 Ca -0.04 -2.27 0.00 0.00 0.02 0.00 0.00 55.97 53.68 2yxm s LYS 59 Cb -0.18 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2yxm s LYS 59 CO -0.07 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 173.70 2yxm n GLY 60 N 3.53 1.51 0.04 -3.33 0.00 -1.26 -1.02 105.19 104.65 2yxm n GLY 60 Ca 0.05 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.46 2yxm n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yxm s GLN 62 N -3.15 4.70 -0.16 0.00 -0.21 -0.19 -0.56 119.66 120.10 2yxm s GLN 62 Ca 0.06 1.36 0.01 0.00 0.02 0.00 0.00 55.36 56.80 2yxm s GLN 62 Cb 0.15 -3.32 0.02 0.00 1.00 0.00 0.00 33.01 30.86 2yxm s GLN 62 CO 0.76 0.41 -0.16 1.03 -2.12 0.00 0.00 175.29 175.20 2yxm s ARG 63 N -0.67 2.53 0.05 2.91 1.81 -0.26 -1.49 118.95 123.84 2yxm s ARG 63 Ca 0.41 -0.65 0.09 0.00 -1.72 0.00 0.00 55.73 53.87 2yxm s ARG 63 Cb -0.24 -2.26 -0.03 0.00 -0.45 0.00 0.00 34.95 31.98 2yxm s ARG 63 CO 0.29 -0.22 -0.26 0.42 -0.68 0.00 0.00 175.30 174.85 2yxm s ILE 64 N 1.40 2.18 -0.07 1.52 1.01 0.20 -1.72 121.20 125.72 2yxm s ILE 64 Ca 0.04 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.29 2yxm s ILE 64 Cb -0.13 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.50 2yxm s ILE 64 CO -0.11 0.34 -0.06 -0.22 0.00 0.00 0.00 174.94 174.89 2yxm s LEU 65 N -1.32 1.24 -0.12 2.97 2.96 -0.40 -1.31 118.68 122.70 2yxm s LEU 65 Ca 0.12 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2yxm s LEU 65 Cb -0.10 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 2yxm s LEU 65 CO 0.03 -0.07 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.59 2yxm s PHE 66 N 1.22 3.04 -0.22 5.38 0.08 0.09 -0.52 117.98 127.05 2yxm s PHE 66 Ca -0.05 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 56.87 2yxm s PHE 66 Cb -0.14 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2yxm s PHE 66 CO -0.02 0.15 -0.10 0.42 -0.10 0.00 0.00 175.22 175.58 2yxm s ILE 67 N -0.16 2.75 0.29 0.64 1.01 -0.58 -1.85 121.20 123.30 2yxm s ILE 67 Ca 0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 2yxm s ILE 67 Cb -0.13 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2yxm s ILE 67 CO 0.02 0.34 0.52 0.20 0.00 0.00 0.00 174.94 176.03 2yxm s ASN 68 N 1.35 6.39 -1.21 3.58 -0.87 0.07 -1.85 114.94 122.39 2yxm s ASN 68 Ca 0.03 0.59 -0.24 0.00 -1.57 0.00 0.00 52.86 51.67 2yxm s ASN 68 Cb -0.15 -2.09 0.02 0.00 -0.02 0.00 0.00 41.25 39.00 2yxm s ASN 68 CO -0.07 -0.20 0.68 -3.20 -2.57 0.00 0.00 177.10 171.75 2yxm n ASN 69 N -1.11 -4.11 -4.73 -1.22 5.15 -1.08 -4.84 115.26 103.32 2yxm n ASN 69 Ca -0.03 -1.15 -0.42 0.00 -0.60 0.00 0.00 54.58 52.38 2yxm n ASN 69 Cb 0.54 -2.54 -0.03 0.00 -0.53 0.00 0.00 39.78 37.23 2yxm n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yxm s GLN 71 N 0.54 1.86 0.62 0.00 -1.52 -1.26 0.60 119.66 120.49 2yxm s GLN 71 Ca 0.66 -2.11 0.34 0.00 -1.95 0.00 0.00 55.36 52.29 2yxm s GLN 71 Cb -0.43 -0.49 1.96 0.00 -0.22 0.00 0.00 33.01 33.82 2yxm s GLN 71 CO 0.36 -0.47 2.23 0.52 -0.25 0.00 0.00 175.29 177.68 2yxm h MET 72 N 1.89 0.00 0.00 2.91 2.86 -1.95 0.20 114.93 120.84 2yxm h MET 72 Ca -0.35 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 2yxm h MET 72 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2yxm h MET 72 CO 0.55 0.00 -0.06 1.79 1.06 0.00 0.00 176.91 180.25 2yxm h THR 73 N 0.00 0.26 0.00 2.22 1.35 -1.99 -1.71 112.91 113.05 2yxm h THR 73 Ca 0.02 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2yxm h THR 73 Cb 0.16 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2yxm h THR 73 CO -0.00 0.06 -0.56 0.47 -0.25 0.00 0.00 175.52 175.24 2yxm n ASP 74 N -3.33 0.54 -4.58 5.36 8.00 0.69 -4.78 116.55 118.45 2yxm n ASP 74 Ca -0.01 -0.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.83 2yxm n ASP 74 Cb 0.23 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2yxm n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yxm s ASP 75 N -3.16 5.78 0.11 -2.24 -1.08 -0.64 -4.81 116.67 110.62 2yxm s ASP 75 Ca 0.10 0.90 -0.25 0.00 -0.52 0.00 0.00 52.55 52.78 2yxm s ASP 75 Cb 0.17 -2.53 0.08 0.00 -1.46 0.00 0.00 42.92 39.18 2yxm s ASP 75 CO 0.71 -1.87 1.13 -0.55 0.52 0.00 0.00 175.17 175.11 2yxm s SER 76 N 6.31 -0.01 0.16 -0.34 0.15 -1.11 -5.00 113.70 113.87 2yxm s SER 76 Ca 0.72 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2yxm s SER 76 Cb -0.18 0.37 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 2yxm s SER 76 CO 0.29 -0.73 0.52 -0.70 1.20 0.00 0.00 173.24 173.83 2yxm s GLU 77 N -2.18 3.89 0.04 5.44 2.12 -1.26 -1.10 118.70 125.65 2yxm s GLU 77 Ca 0.23 0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.95 2yxm s GLU 77 Cb -0.01 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 2yxm s GLU 77 CO 0.03 0.44 -0.05 0.71 -0.54 0.00 0.00 175.26 175.85 2yxm s TYR 78 N -1.56 0.54 0.12 5.30 2.02 -0.18 -1.27 117.35 122.33 2yxm s TYR 78 Ca 0.40 -0.64 -0.09 0.00 -0.37 0.00 0.00 57.07 56.37 2yxm s TYR 78 Cb -0.14 -0.34 -0.00 0.00 -0.40 0.00 0.00 41.96 41.07 2yxm s TYR 78 CO 0.20 -0.17 0.23 1.52 -1.57 0.00 0.00 175.55 175.76 2yxm s TYR 79 N -2.05 0.26 -0.00 2.71 1.13 -0.73 -0.70 117.35 117.97 2yxm s TYR 79 Ca -0.07 -0.66 0.02 0.00 -1.41 0.00 0.00 57.07 54.96 2yxm s TYR 79 Cb -0.06 -0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.74 2yxm s TYR 79 CO -0.02 -0.62 -0.08 0.54 -2.51 0.00 0.00 175.55 172.86 2yxm s VAL 80 N -3.91 0.60 0.05 -3.49 0.11 -0.51 -0.31 120.40 112.94 2yxm s VAL 80 Ca 0.10 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 2yxm s VAL 80 Cb 0.04 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2yxm s VAL 80 CO -0.06 0.13 -0.10 0.42 -3.33 0.00 0.00 175.10 172.16 2yxm s THR 81 N -0.25 3.38 -0.18 5.04 -4.23 -0.04 -1.89 115.64 117.47 2yxm s THR 81 Ca 0.02 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.43 2yxm s THR 81 Cb -0.03 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.39 2yxm s THR 81 CO -0.00 0.28 0.38 0.00 -0.54 0.00 0.00 174.62 174.73 2yxm s ALA 82 N -1.07 -1.01 0.00 3.99 0.00 -0.39 -2.44 121.76 120.85 2yxm s ALA 82 Ca 0.18 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2yxm s ALA 82 Cb -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2yxm s ALA 82 CO 0.10 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2yxm n GLY 83 N 5.38 2.89 1.53 0.00 0.00 -1.26 -1.52 105.19 112.21 2yxm n GLY 83 Ca -0.08 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.81 2yxm n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yxm n ASP 84 N 5.35 4.57 -4.68 1.61 9.92 -1.26 -4.97 116.55 127.10 2yxm n ASP 84 Ca 0.00 -2.33 -0.26 0.00 -0.53 0.00 0.00 54.79 51.67 2yxm n ASP 84 Cb 0.00 -0.56 -0.09 0.00 -0.64 0.00 0.00 41.12 39.83 2yxm n ASP 84 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2yxm s GLU 85 N -1.63 2.10 -0.02 -1.24 2.02 -0.58 -5.13 118.70 114.22 2yxm s GLU 85 Ca 0.51 -1.92 -0.25 0.00 0.02 0.00 0.00 54.97 53.32 2yxm s GLU 85 Cb 0.31 -1.85 0.05 0.00 0.10 0.00 0.00 34.13 32.75 2yxm s GLU 85 CO 0.27 -0.05 0.55 -1.59 0.02 0.00 0.00 175.26 174.47 2yxm s LYS 86 N -3.80 0.95 0.06 1.61 -2.85 -1.26 -1.26 119.74 113.20 2yxm s LYS 86 Ca 0.38 0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.41 2yxm s LYS 86 Cb 0.05 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.23 2yxm s LYS 86 CO 0.20 -0.30 -0.05 0.00 0.10 0.00 0.00 175.35 175.30 2yxm s SER 88 N -2.42 1.72 0.24 0.00 1.04 -1.26 -1.42 113.70 111.60 2yxm s SER 88 Ca 0.01 -1.37 -0.16 0.00 0.48 0.00 0.00 55.95 54.91 2yxm s SER 88 Cb -0.00 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.18 2yxm s SER 88 CO -0.04 -0.67 0.55 0.28 0.98 0.00 0.00 173.24 174.34 2yxm s THR 89 N -3.54 0.01 -0.06 2.02 -1.32 0.13 -4.73 115.64 108.14 2yxm s THR 89 Ca 0.37 -1.09 0.06 0.00 -1.21 0.00 0.00 61.69 59.82 2yxm s THR 89 Cb 0.08 -1.93 -0.01 0.00 -1.51 0.00 0.00 72.50 69.13 2yxm s THR 89 CO 0.14 -0.05 -0.23 -1.61 -2.21 0.00 0.00 174.62 170.66 2yxm s GLU 90 N -3.94 2.53 -0.21 7.08 2.02 -1.02 -1.01 118.70 124.15 2yxm s GLU 90 Ca 0.15 -0.88 -0.05 0.00 0.02 0.00 0.00 54.97 54.21 2yxm s GLU 90 Cb -0.02 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 2yxm s GLU 90 CO 0.04 0.42 -0.01 -1.17 0.02 0.00 0.00 175.26 174.57 2yxm s LEU 91 N -0.26 3.14 -0.25 1.80 2.96 -0.26 -0.75 118.68 125.06 2yxm s LEU 91 Ca -0.00 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 2yxm s LEU 91 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 2yxm s LEU 91 CO 0.03 0.02 0.08 -0.36 -1.32 0.00 0.00 176.35 174.80 2yxm s PHE 92 N 1.24 3.09 -0.23 5.38 0.08 0.44 -2.74 117.98 125.25 2yxm s PHE 92 Ca 0.03 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.54 2yxm s PHE 92 Cb -0.15 -2.25 -0.05 0.00 -0.57 0.00 0.00 43.02 40.01 2yxm s PHE 92 CO 0.01 -0.37 0.17 0.08 -0.10 0.00 0.00 175.22 175.01 2yxm s VAL 93 N 1.61 5.36 -2.48 -0.44 1.01 -1.26 -1.41 120.40 122.78 2yxm s VAL 93 Ca 0.06 0.22 0.28 0.00 0.00 0.00 0.00 61.98 62.54 2yxm s VAL 93 Cb -0.15 -3.51 0.56 0.00 0.00 0.00 0.00 36.38 33.28 2yxm s VAL 93 CO 0.04 0.35 1.76 -1.14 0.00 0.00 0.00 175.10 176.11