#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yxj n GLN 3 N 0.00 2.19 -0.02 1.43 1.13 -1.26 -4.38 117.38 116.47 2yxj n GLN 3 Ca 0.00 -1.82 -0.16 0.00 -1.94 0.00 0.00 57.00 53.08 2yxj n GLN 3 Cb 0.00 -1.44 -0.11 0.00 0.11 0.00 0.00 30.24 28.80 2yxj n GLN 3 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2yxj h SER 4 N 3.34 0.33 -0.92 1.08 0.02 -2.03 -1.16 113.55 114.21 2yxj h SER 4 Ca 0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 2yxj h SER 4 Cb 0.75 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2yxj h SER 4 CO 0.00 1.01 0.58 0.78 -1.14 0.00 0.00 176.83 178.06 2yxj h ASN 5 N -0.33 1.08 -0.25 3.07 2.35 -1.97 -1.61 115.58 117.93 2yxj h ASN 5 Ca -0.04 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 2yxj h ASN 5 Cb 1.05 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 2yxj h ASN 5 CO 0.07 0.81 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.47 2yxj h ARG 6 N 1.25 0.64 -0.64 0.81 2.43 -1.80 -1.70 114.38 115.38 2yxj h ARG 6 Ca 0.33 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2yxj h ARG 6 Cb -0.09 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2yxj h ARG 6 CO -0.07 0.72 0.22 0.93 -1.51 0.00 0.00 179.97 180.27 2yxj h GLU 7 N 0.59 0.96 -0.47 0.20 5.08 -0.82 -1.17 114.58 118.95 2yxj h GLU 7 Ca 0.11 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2yxj h GLU 7 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2yxj h GLU 7 CO 0.03 0.80 0.15 -0.07 -1.00 0.00 0.00 179.01 178.93 2yxj h LEU 8 N 0.93 0.68 0.28 1.33 3.38 -0.93 -0.78 115.31 120.20 2yxj h LEU 8 Ca 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2yxj h LEU 8 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2yxj h LEU 8 CO -0.01 0.70 -0.13 0.58 0.09 0.00 0.00 178.44 179.66 2yxj h VAL 9 N 0.63 0.75 -0.51 1.22 2.07 -1.05 -1.12 116.25 118.23 2yxj h VAL 9 Ca 0.15 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2yxj h VAL 9 Cb 0.26 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2yxj h VAL 9 CO -0.01 0.03 0.20 0.58 0.02 0.00 0.00 177.57 178.39 2yxj h VAL 10 N -0.44 0.84 -0.11 2.57 2.07 -1.15 0.07 116.25 120.10 2yxj h VAL 10 Ca -0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2yxj h VAL 10 Cb 0.33 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2yxj h VAL 10 CO 0.06 0.07 0.06 -0.78 0.02 0.00 0.00 177.57 177.00 2yxj h ASP 11 N 0.38 0.09 -0.17 0.57 3.58 -0.99 -0.32 116.42 119.56 2yxj h ASP 11 Ca 0.24 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 2yxj h ASP 11 Cb 0.25 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2yxj h ASP 11 CO -0.24 0.07 0.04 0.15 -2.88 0.00 0.00 179.24 176.38 2yxj h PHE 12 N 0.12 0.30 -0.83 0.28 3.04 -0.80 -2.04 116.94 117.02 2yxj h PHE 12 Ca 0.04 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2yxj h PHE 12 Cb -0.00 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.39 2yxj h PHE 12 CO -0.08 0.42 0.42 -0.07 -2.02 0.00 0.00 178.31 176.98 2yxj h LEU 13 N 0.08 1.06 -0.78 0.59 3.38 -0.91 -0.37 115.31 118.36 2yxj h LEU 13 Ca 0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2yxj h LEU 13 Cb 0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2yxj h LEU 13 CO 0.00 0.88 0.34 0.28 0.09 0.00 0.00 178.44 180.04 2yxj h SER 14 N 1.16 1.05 -0.01 -0.43 0.02 -0.93 -0.11 113.55 114.30 2yxj h SER 14 Ca 0.29 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2yxj h SER 14 Cb 0.08 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 2yxj h SER 14 CO -0.04 0.91 0.00 0.22 -1.14 0.00 0.00 176.83 176.79 2yxj h TYR 15 N 1.12 0.01 -0.45 3.45 3.20 -0.90 -0.30 116.97 123.10 2yxj h TYR 15 Ca 0.26 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 2yxj h TYR 15 Cb 0.17 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2yxj h TYR 15 CO 0.02 0.03 -0.08 0.87 -1.64 0.00 0.00 178.16 177.36 2yxj h LYS 16 N -0.02 0.85 -0.12 1.82 6.56 -0.78 -1.51 116.57 123.38 2yxj h LYS 16 Ca 0.00 -0.31 -0.00 0.00 -1.06 0.00 0.00 60.65 59.28 2yxj h LYS 16 Cb 0.02 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 2yxj h LYS 16 CO -0.00 0.94 0.07 -0.07 -2.06 0.00 0.00 179.45 178.33 2yxj h LEU 17 N 0.69 0.15 -0.77 2.94 3.38 -1.01 -2.90 115.31 117.79 2yxj h LEU 17 Ca 0.12 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.19 2yxj h LEU 17 Cb 0.61 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.20 2yxj h LEU 17 CO 0.04 0.19 0.12 -1.28 0.09 0.00 0.00 178.44 177.59 2yxj h SER 18 N 0.11 -0.14 -0.07 -0.43 0.87 0.01 0.15 113.55 114.05 2yxj h SER 18 Ca 0.04 0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2yxj h SER 18 Cb 0.06 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2yxj h SER 18 CO -0.01 -0.12 0.11 1.56 -0.53 0.00 0.00 176.83 177.84 2yxj h GLN 19 N 0.19 0.00 -0.61 2.24 4.20 -1.07 -1.00 115.11 119.06 2yxj h GLN 19 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2yxj h GLN 19 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2yxj h GLN 19 CO -0.60 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.19 2yxj n LYS 20 N -3.63 3.23 -0.92 1.46 4.76 0.39 -4.94 118.16 118.50 2yxj n LYS 20 Ca -0.01 -2.69 0.00 0.00 -2.87 0.00 0.00 58.31 52.74 2yxj n LYS 20 Cb 0.20 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 2yxj n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yxj n GLY 21 N 1.11 0.48 3.65 0.72 0.00 -0.38 -5.05 105.19 105.72 2yxj n GLY 21 Ca 0.23 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2yxj n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yxj s TYR 22 N -2.00 2.90 -0.18 1.61 2.02 -0.40 -4.97 117.35 116.33 2yxj s TYR 22 Ca 0.00 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2yxj s TYR 22 Cb 0.00 -1.49 -0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2yxj s TYR 22 CO 0.00 0.47 -0.11 0.45 -1.57 0.00 0.00 175.55 174.79 2yxj s SER 23 N -2.35 3.92 0.32 2.29 0.15 -1.26 -1.55 113.70 115.22 2yxj s SER 23 Ca 0.25 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.56 2yxj s SER 23 Cb -0.11 -1.63 0.90 0.00 -1.71 0.00 0.00 66.02 63.47 2yxj s SER 23 CO 0.17 0.05 1.71 -0.25 1.20 0.00 0.00 173.24 176.12 2yxj h TRP 24 N 7.55 0.93 0.00 3.44 2.91 -1.92 -1.81 115.95 127.04 2yxj h TRP 24 Ca -0.36 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.69 2yxj h TRP 24 Cb 1.18 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.57 2yxj h TRP 24 CO 0.53 -0.01 -0.03 0.66 -1.03 0.00 0.00 178.44 178.56 2yxj h SER 25 N 0.49 0.00 0.03 2.65 4.64 -1.95 -2.30 113.55 117.11 2yxj h SER 25 Ca 0.65 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2yxj h SER 25 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2yxj h SER 25 CO -0.52 0.03 -0.02 1.56 -0.87 0.00 0.00 176.83 177.01 2yxj h GLN 26 N 0.00 0.00 -0.00 4.77 4.20 -1.75 -3.27 115.11 119.05 2yxj h GLN 26 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2yxj h GLN 26 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2yxj h GLN 26 CO 0.00 0.02 -0.12 1.19 -0.67 0.00 0.00 178.83 179.26 2yxj n PHE 27 N -4.11 0.00 -4.05 2.96 3.72 -0.90 -5.05 117.46 110.04 2yxj n PHE 27 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.28 2yxj n PHE 27 Cb 0.10 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.56 2yxj n PHE 27 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yxj s SER 28 N -1.01 0.18 -0.80 4.37 0.01 -1.03 -4.51 113.70 110.91 2yxj s SER 28 Ca 0.03 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 2yxj s SER 28 Cb 0.03 0.36 0.37 0.00 0.21 0.00 0.00 66.02 67.00 2yxj s SER 28 CO 0.12 -0.81 2.01 0.47 0.41 0.00 0.00 173.24 175.44 2yxj n ASP 29 N -0.15 7.50 -4.33 2.44 8.00 -1.26 -4.60 116.55 124.15 2yxj n ASP 29 Ca -0.07 -3.83 -0.50 0.00 0.71 0.00 0.00 54.79 51.11 2yxj n ASP 29 Cb 0.63 -1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 2yxj n ASP 29 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2yxj n SER 83 N -0.62 -0.88 0.16 -2.24 2.88 -1.26 -5.11 113.62 106.55 2yxj n SER 83 Ca 0.56 1.11 0.05 0.00 -1.33 0.00 0.00 58.87 59.26 2yxj n SER 83 Cb 0.34 -0.92 0.49 0.00 -0.75 0.00 0.00 64.21 63.37 2yxj n SER 83 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2yxj h GLU 84 N 1.53 0.16 -0.43 -1.46 4.39 -2.05 -2.25 114.58 114.48 2yxj h GLU 84 Ca -0.34 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.37 2yxj h GLU 84 Cb 1.41 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.99 2yxj h GLU 84 CO 0.58 0.23 0.23 0.00 -1.16 0.00 0.00 179.01 178.88 2yxj h ALA 85 N 1.80 0.54 -0.21 3.43 0.00 -2.02 0.93 119.26 123.74 2yxj h ALA 85 Ca 0.04 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2yxj h ALA 85 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2yxj h ALA 85 CO 0.01 -0.11 -0.14 0.28 0.00 0.00 0.00 179.25 179.28 2yxj h VAL 86 N 0.46 1.32 0.08 0.00 2.07 -1.81 -2.29 116.25 116.07 2yxj h VAL 86 Ca 0.18 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2yxj h VAL 86 Cb 0.06 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2yxj h VAL 86 CO -0.11 0.38 -0.06 0.11 0.02 0.00 0.00 177.57 177.91 2yxj h LYS 87 N 0.15 -0.15 -0.16 1.57 1.57 -1.28 -1.95 116.57 116.33 2yxj h LYS 87 Ca 0.04 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2yxj h LYS 87 Cb 0.66 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 2yxj h LYS 87 CO 0.04 -0.10 -0.47 1.96 -0.57 0.00 0.00 179.45 180.32 2yxj h GLN 88 N -0.15 -0.49 -0.20 3.15 1.08 -0.86 -1.62 115.11 116.02 2yxj h GLN 88 Ca -0.00 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2yxj h GLN 88 Cb 0.14 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2yxj h GLN 88 CO -0.01 -0.33 0.09 0.00 -0.95 0.00 0.00 178.83 177.64 2yxj h ALA 89 N 0.00 1.80 -0.11 3.87 0.00 -1.30 -1.83 119.26 121.69 2yxj h ALA 89 Ca 0.07 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2yxj h ALA 89 Cb 0.65 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2yxj h ALA 89 CO -0.43 0.17 -0.55 1.25 0.00 0.00 0.00 179.25 179.69 2yxj h LEU 90 N 0.27 0.67 -0.53 0.00 5.85 -1.15 -0.80 115.31 119.61 2yxj h LEU 90 Ca 0.07 -0.64 0.08 0.00 0.84 0.00 0.00 57.88 58.22 2yxj h LEU 90 Cb 0.03 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2yxj h LEU 90 CO -0.01 1.21 0.19 0.03 -0.34 0.00 0.00 178.44 179.52 2yxj h ARG 91 N 0.19 0.36 -0.28 1.25 3.08 -1.02 0.47 114.38 118.43 2yxj h ARG 91 Ca -0.04 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 2yxj h ARG 91 Cb 1.20 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 2yxj h ARG 91 CO 0.11 0.24 -0.37 0.93 -1.07 0.00 0.00 179.97 179.82 2yxj h GLU 92 N 0.37 0.74 -0.45 0.04 5.08 -1.34 -1.31 114.58 117.72 2yxj h GLU 92 Ca 0.26 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2yxj h GLU 92 Cb 0.29 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2yxj h GLU 92 CO -0.26 1.05 0.05 0.00 -1.00 0.00 0.00 179.01 178.84 2yxj h ALA 93 N 0.68 1.24 -0.25 3.43 0.00 -0.99 -1.89 119.26 121.49 2yxj h ALA 93 Ca 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2yxj h ALA 93 Cb 0.95 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2yxj h ALA 93 CO 0.09 0.51 0.07 0.78 0.00 0.00 0.00 179.25 180.70 2yxj h GLY 94 N 0.92 0.42 0.67 0.00 0.00 -0.65 -0.17 103.07 104.26 2yxj h GLY 94 Ca 0.14 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.29 2yxj h GLY 94 CO 0.01 0.24 0.61 -0.55 0.00 0.00 0.00 176.54 176.85 2yxj h ASP 95 N 0.23 0.96 0.01 0.19 3.32 -1.07 -0.28 116.42 119.77 2yxj h ASP 95 Ca 0.08 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2yxj h ASP 95 Cb 0.26 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2yxj h ASP 95 CO -0.00 0.59 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.77 2yxj h GLU 96 N 1.08 -0.01 -0.61 3.56 5.08 -1.06 -2.16 114.58 120.47 2yxj h GLU 96 Ca 0.43 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.89 2yxj h GLU 96 Cb 0.24 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 2yxj h GLU 96 CO -0.20 0.52 0.20 0.35 -1.00 0.00 0.00 179.01 178.88 2yxj h PHE 97 N -0.53 0.34 -0.29 4.33 3.04 -0.93 -1.26 116.94 121.65 2yxj h PHE 97 Ca -0.00 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 2yxj h PHE 97 Cb 0.53 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2yxj h PHE 97 CO 0.11 0.06 -0.20 0.93 -2.02 0.00 0.00 178.31 177.19 2yxj h GLU 98 N 0.36 0.52 -0.26 1.11 5.08 -0.92 0.15 114.58 120.62 2yxj h GLU 98 Ca 0.31 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2yxj h GLU 98 Cb 0.41 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2yxj h GLU 98 CO -0.33 0.69 -0.34 1.25 -1.00 0.00 0.00 179.01 179.28 2yxj h LEU 99 N 0.47 0.75 -0.47 1.33 5.85 -1.02 -2.20 115.31 120.02 2yxj h LEU 99 Ca 0.08 -0.50 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 2yxj h LEU 99 Cb 0.61 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2yxj h LEU 99 CO 0.04 1.10 -0.51 0.03 -0.34 0.00 0.00 178.44 178.76 2yxj h ARG 100 N 0.42 0.68 -0.82 1.25 3.08 -0.67 -3.18 114.38 115.14 2yxj h ARG 100 Ca 0.03 -0.41 -0.53 0.00 0.07 0.00 0.00 59.98 59.14 2yxj h ARG 100 Cb 0.92 0.04 -0.29 0.00 0.08 0.00 0.00 29.97 30.72 2yxj h ARG 100 CO 0.08 1.03 0.29 0.66 -1.07 0.00 0.00 179.97 180.95 2yxj n TYR 101 N -3.99 2.70 0.22 3.04 4.01 0.47 -4.69 117.16 118.92 2yxj n TYR 101 Ca -0.03 -2.39 0.06 0.00 -0.16 0.00 0.00 57.90 55.38 2yxj n TYR 101 Cb 0.59 -0.95 0.54 0.00 -0.31 0.00 0.00 39.34 39.21 2yxj n TYR 101 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 2yxj h ARG 102 N 1.68 0.03 0.23 -0.72 0.11 -1.37 -0.67 114.38 113.66 2yxj h ARG 102 Ca 0.49 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.55 2yxj h ARG 102 Cb 1.48 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.56 2yxj h ARG 102 CO 1.10 0.14 -0.11 -0.09 0.10 0.00 0.00 179.97 181.12 2yxj h ARG 103 N 0.03 -0.30 -0.94 0.08 1.12 -1.87 -2.34 114.38 110.17 2yxj h ARG 103 Ca 0.01 0.02 0.15 0.00 -1.11 0.00 0.00 59.98 59.04 2yxj h ARG 103 Cb 0.21 0.07 -0.08 0.00 -0.01 0.00 0.00 29.97 30.16 2yxj h ARG 103 CO 0.01 0.08 0.60 0.00 -3.11 0.00 0.00 179.97 177.55 2yxj h ALA 104 N -0.32 1.73 0.11 2.80 0.00 -1.90 0.20 119.26 121.87 2yxj h ALA 104 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yxj h ALA 104 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2yxj h ALA 104 CO 0.05 0.00 -0.09 0.35 0.00 0.00 0.00 179.25 179.57 2yxj h PHE 105 N 0.78 -0.22 0.03 0.00 3.57 -1.12 -1.81 116.94 118.18 2yxj h PHE 105 Ca 0.48 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.77 2yxj h PHE 105 Cb 0.70 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2yxj h PHE 105 CO -0.00 -0.13 -0.97 0.66 -2.23 0.00 0.00 178.31 175.63 2yxj h SER 106 N -0.20 0.26 -0.60 0.41 4.64 -0.78 -2.51 113.55 114.77 2yxj h SER 106 Ca -0.00 -0.24 0.07 0.00 -0.47 0.00 0.00 61.79 61.15 2yxj h SER 106 Cb 0.18 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 2yxj h SER 106 CO -0.01 1.09 0.29 0.44 -0.87 0.00 0.00 176.83 177.77 2yxj h ASP 107 N 0.09 0.39 -0.10 4.97 3.32 -0.65 -2.03 116.42 122.42 2yxj h ASP 107 Ca -0.06 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2yxj h ASP 107 Cb 1.64 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.16 2yxj h ASP 107 CO 0.15 0.25 0.04 0.25 -1.72 0.00 0.00 179.24 178.21 2yxj h LEU 108 N 0.54 0.14 -0.96 1.55 5.85 -1.24 -2.51 115.31 118.66 2yxj h LEU 108 Ca 0.28 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2yxj h LEU 108 Cb 0.23 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2yxj h LEU 108 CO -0.21 0.26 -0.16 0.71 -0.34 0.00 0.00 178.44 178.69 2yxj h THR 109 N 0.01 1.25 0.00 1.05 1.35 -1.40 0.01 112.91 115.18 2yxj h THR 109 Ca 0.03 -1.14 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 2yxj h THR 109 Cb 0.16 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2yxj h THR 109 CO -0.00 0.37 -0.04 0.77 -0.25 0.00 0.00 175.52 176.37 2yxj h SER 110 N 0.51 0.00 0.64 5.36 4.64 -1.38 -3.24 113.55 120.09 2yxj h SER 110 Ca 0.09 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.23 2yxj h SER 110 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2yxj h SER 110 CO 0.04 0.04 -1.49 0.00 -0.87 0.00 0.00 176.83 174.55 2yxj n GLN 111 N -3.14 0.63 -2.81 4.77 6.02 -0.67 -4.80 117.38 117.39 2yxj n GLN 111 Ca 0.01 0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.78 2yxj n GLN 111 Cb 0.39 -1.78 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 2yxj n GLN 111 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2yxj s LEU 112 N -5.73 4.12 -0.94 1.08 1.02 -0.10 -4.96 118.68 113.17 2yxj s LEU 112 Ca -0.03 1.21 -0.06 0.00 0.02 0.00 0.00 54.13 55.26 2yxj s LEU 112 Cb 0.09 -3.33 0.24 0.00 0.02 0.00 0.00 46.19 43.20 2yxj s LEU 112 CO 0.82 -0.53 0.87 -1.00 0.02 0.00 0.00 176.35 176.53 2yxj s HIS 113 N 2.71 3.97 0.02 0.29 3.76 -1.26 -4.91 115.29 119.87 2yxj s HIS 113 Ca 0.39 -2.74 -0.30 0.00 -0.15 0.00 0.00 55.06 52.26 2yxj s HIS 113 Cb -0.16 -3.53 -0.07 0.00 1.11 0.00 0.00 32.58 29.93 2yxj s HIS 113 CO 0.09 -0.86 1.59 0.42 -0.85 0.00 0.00 174.74 175.13 2yxj s ILE 114 N -1.00 3.34 0.11 0.60 -1.09 -1.26 -4.98 121.20 116.92 2yxj s ILE 114 Ca 0.26 0.69 0.03 0.00 -2.23 0.00 0.00 60.65 59.41 2yxj s ILE 114 Cb -0.10 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2yxj s ILE 114 CO -0.09 -0.02 -0.09 0.42 -1.23 0.00 0.00 174.94 173.93 2yxj s THR 115 N 2.94 0.93 0.41 2.92 -4.23 -1.26 -5.03 115.64 112.32 2yxj s THR 115 Ca 0.71 -1.84 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 2yxj s THR 115 Cb -0.36 -1.58 0.28 0.00 1.34 0.00 0.00 72.50 72.19 2yxj s THR 115 CO 0.30 -0.70 2.03 -0.65 -0.54 0.00 0.00 174.62 175.06 2yxj h PRO 116 N 3.18 0.52 0.00 3.99 0.11 -1.98 -1.18 132.00 136.65 2yxj h PRO 116 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2yxj h PRO 116 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2yxj h PRO 116 CO 0.59 0.35 -0.06 0.78 -0.21 0.00 0.00 178.00 179.45 2yxj h GLY 117 N 0.54 0.00 -0.81 -0.55 0.00 -2.00 -3.25 103.07 97.00 2yxj h GLY 117 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2yxj h GLY 117 CO -0.05 0.00 -0.01 -1.30 0.00 0.00 0.00 176.54 175.18 2yxj n THR 118 N -2.82 0.00 0.02 4.70 -2.24 -1.13 -4.78 114.28 108.03 2yxj n THR 118 Ca 0.04 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 2yxj n THR 118 Cb 0.50 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.90 2yxj n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yxj h ALA 119 N 1.99 -0.25 -0.67 6.98 0.00 -1.25 -1.11 119.26 124.95 2yxj h ALA 119 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2yxj h ALA 119 Cb 0.42 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2yxj h ALA 119 CO 0.00 -0.71 0.14 -0.92 0.00 0.00 0.00 179.25 177.76 2yxj h TYR 120 N -0.32 1.16 -0.67 0.00 3.20 -1.86 0.13 116.97 118.61 2yxj h TYR 120 Ca 0.09 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2yxj h TYR 120 Cb 0.45 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2yxj h TYR 120 CO -0.31 0.96 0.41 0.37 -1.64 0.00 0.00 178.16 177.94 2yxj h GLN 121 N 1.02 0.90 -0.09 1.82 4.15 -1.83 0.22 115.11 121.30 2yxj h GLN 121 Ca 0.21 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2yxj h GLN 121 Cb 0.40 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 2yxj h GLN 121 CO 0.01 0.64 0.01 0.77 -1.93 0.00 0.00 178.83 178.33 2yxj h SER 122 N 0.90 0.15 -0.02 -0.69 0.02 -0.90 -1.88 113.55 111.14 2yxj h SER 122 Ca 0.24 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2yxj h SER 122 Cb -0.03 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2yxj h SER 122 CO -0.05 0.39 -0.27 0.15 -1.14 0.00 0.00 176.83 175.92 2yxj h PHE 123 N -0.09 -0.79 -0.18 3.45 3.57 -0.68 -2.31 116.94 119.91 2yxj h PHE 123 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2yxj h PHE 123 Cb 0.31 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2yxj h PHE 123 CO 0.02 -0.28 0.05 1.49 -2.23 0.00 0.00 178.31 177.36 2yxj h GLU 124 N -0.32 0.25 -0.55 1.11 4.22 -0.57 -2.00 114.58 116.71 2yxj h GLU 124 Ca 0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.34 2yxj h GLU 124 Cb 0.35 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2yxj h GLU 124 CO -0.19 0.23 0.02 0.37 -2.18 0.00 0.00 179.01 177.26 2yxj h GLN 125 N 0.25 0.93 0.12 1.92 4.15 -1.21 0.44 115.11 121.71 2yxj h GLN 125 Ca 0.06 -0.26 -0.18 0.00 0.77 0.00 0.00 58.65 59.04 2yxj h GLN 125 Cb 0.09 -0.10 0.02 0.00 0.21 0.00 0.00 27.48 27.70 2yxj h GLN 125 CO -0.00 0.91 -0.79 0.28 -1.93 0.00 0.00 178.83 177.30 2yxj h VAL 126 N 0.87 1.49 -0.74 2.39 2.07 -0.85 -2.81 116.25 118.67 2yxj h VAL 126 Ca 0.17 -2.50 0.03 0.00 0.82 0.00 0.00 66.70 65.21 2yxj h VAL 126 Cb 0.48 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.38 2yxj h VAL 126 CO 0.02 0.70 0.47 0.58 0.02 0.00 0.00 177.57 179.36 2yxj h VAL 127 N -0.44 1.12 -0.23 2.57 2.07 -1.37 0.75 116.25 120.72 2yxj h VAL 127 Ca -0.14 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2yxj h VAL 127 Cb 1.58 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 2yxj h VAL 127 CO 0.12 0.17 -0.12 -1.13 0.02 0.00 0.00 177.57 176.63 2yxj h ASN 128 N 0.93 -0.41 -0.65 0.57 -1.24 -0.96 -1.90 115.58 111.92 2yxj h ASN 128 Ca 0.29 0.10 0.07 0.00 0.71 0.00 0.00 56.30 57.47 2yxj h ASN 128 Cb -0.01 0.22 -0.06 0.00 0.73 0.00 0.00 38.32 39.20 2yxj h ASN 128 CO -0.10 -0.16 0.33 -0.08 -1.29 0.00 0.00 177.43 176.13 2yxj h GLU 129 N -0.10 0.57 -0.38 6.67 4.81 -1.18 -0.96 114.58 124.02 2yxj h GLU 129 Ca 0.13 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2yxj h GLU 129 Cb 0.29 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2yxj h GLU 129 CO -0.29 0.38 0.24 1.25 -0.73 0.00 0.00 179.01 179.85 2yxj h LEU 130 N 0.59 0.44 -3.07 1.64 5.85 -0.10 -2.65 115.31 118.01 2yxj h LEU 130 Ca 0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2yxj h LEU 130 Cb 0.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2yxj h LEU 130 CO -0.22 0.33 0.00 0.49 -0.34 0.00 0.00 178.44 178.70 2yxj n PHE 131 N -4.47 0.56 -0.16 1.25 3.72 -0.85 -4.77 117.46 112.75 2yxj n PHE 131 Ca 0.03 -0.72 -0.04 0.00 -0.05 0.00 0.00 57.45 56.67 2yxj n PHE 131 Cb 0.07 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 38.48 2yxj n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2yxj h ARG 132 N 1.49 -0.08 -1.18 -1.08 2.43 -0.80 -1.11 114.38 114.05 2yxj h ARG 132 Ca 0.00 0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 2yxj h ARG 132 Cb 1.04 0.02 -0.40 0.00 -0.42 0.00 0.00 29.97 30.21 2yxj h ARG 132 CO 0.09 -0.06 -0.50 -0.40 -1.51 0.00 0.00 179.97 177.60 2yxj n ASP 133 N -5.41 5.27 0.00 -3.80 5.68 -1.26 -5.06 116.55 111.97 2yxj n ASP 133 Ca 0.04 -3.75 0.00 0.00 -0.50 0.00 0.00 54.79 50.59 2yxj n ASP 133 Cb 0.31 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 2yxj n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2yxj n GLY 134 N -0.62 2.34 3.81 6.12 0.00 -0.42 -5.05 105.19 111.38 2yxj n GLY 134 Ca 0.44 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 2yxj n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yxj s VAL 135 N -2.45 5.38 0.31 1.61 1.01 -1.26 -4.61 120.40 120.40 2yxj s VAL 135 Ca 0.00 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2yxj s VAL 135 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2yxj s VAL 135 CO 0.00 0.53 0.32 0.54 0.00 0.00 0.00 175.10 176.50 2yxj s ASN 136 N -0.46 1.20 0.24 3.32 2.20 -1.26 -5.05 114.94 115.13 2yxj s ASN 136 Ca 0.15 -1.61 -0.01 0.00 -0.94 0.00 0.00 52.86 50.45 2yxj s ASN 136 Cb -0.13 0.57 0.29 0.00 -2.00 0.00 0.00 41.25 39.97 2yxj s ASN 136 CO 0.04 -1.10 1.68 -0.50 -2.94 0.00 0.00 177.10 174.27 2yxj h TRP 137 N 2.20 0.74 -0.74 1.54 4.06 -2.00 -2.59 115.95 119.16 2yxj h TRP 137 Ca -0.27 -0.16 -0.04 0.00 2.06 0.00 0.00 58.89 60.48 2yxj h TRP 137 Cb 1.24 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 29.18 2yxj h TRP 137 CO 1.43 0.82 0.32 0.78 -3.56 0.00 0.00 178.44 178.23 2yxj h GLY 138 N 0.99 1.16 1.46 1.49 0.00 -1.99 -1.61 103.07 104.57 2yxj h GLY 138 Ca 0.09 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 2yxj h GLY 138 CO 0.05 0.57 -0.28 3.21 0.00 0.00 0.00 176.54 180.09 2yxj h ARG 139 N 1.07 0.62 -0.44 4.80 3.08 -1.87 -0.46 114.38 121.17 2yxj h ARG 139 Ca 0.25 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2yxj h ARG 139 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2yxj h ARG 139 CO -0.03 0.83 0.19 0.82 -1.07 0.00 0.00 179.97 180.71 2yxj h ILE 140 N 0.54 1.20 -0.11 2.04 2.04 -1.09 -1.50 117.51 120.62 2yxj h ILE 140 Ca 0.07 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.34 2yxj h ILE 140 Cb 0.75 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2yxj h ILE 140 CO 0.06 0.22 0.03 0.58 0.00 0.00 0.00 178.15 179.05 2yxj h VAL 141 N 0.58 0.97 -0.93 1.67 2.07 -0.93 -2.55 116.25 117.13 2yxj h VAL 141 Ca 0.15 -0.03 0.22 0.00 0.82 0.00 0.00 66.70 67.85 2yxj h VAL 141 Cb 0.17 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 30.69 2yxj h VAL 141 CO -0.01 0.02 0.47 0.00 0.02 0.00 0.00 177.57 178.06 2yxj h ALA 142 N 1.07 1.53 -0.37 1.67 0.00 -0.96 -1.15 119.26 121.05 2yxj h ALA 142 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2yxj h ALA 142 Cb 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2yxj h ALA 142 CO -0.05 -0.27 0.19 0.35 0.00 0.00 0.00 179.25 179.47 2yxj h PHE 143 N 0.50 0.53 0.02 0.00 3.57 -0.89 0.25 116.94 120.92 2yxj h PHE 143 Ca 0.57 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.05 2yxj h PHE 143 Cb 1.04 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2yxj h PHE 143 CO -0.09 0.43 -0.01 0.74 -2.23 0.00 0.00 178.31 177.15 2yxj h PHE 144 N 0.47 -0.03 -0.64 0.41 0.04 -1.00 -1.75 116.94 114.44 2yxj h PHE 144 Ca 0.13 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.94 2yxj h PHE 144 Cb 0.09 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 2yxj h PHE 144 CO -0.02 0.11 0.42 0.77 -0.60 0.00 0.00 178.31 178.99 2yxj h SER 145 N -0.16 0.63 -0.27 2.17 0.02 -0.93 0.04 113.55 115.05 2yxj h SER 145 Ca -0.00 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2yxj h SER 145 Cb 0.15 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2yxj h SER 145 CO 0.01 0.43 -0.07 0.15 -1.14 0.00 0.00 176.83 176.20 2yxj h PHE 146 N 0.73 0.59 -0.97 3.45 3.57 -0.33 -1.13 116.94 122.85 2yxj h PHE 146 Ca 0.26 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 61.70 2yxj h PHE 146 Cb 0.11 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 2yxj h PHE 146 CO -0.00 0.74 0.63 0.78 -2.23 0.00 0.00 178.31 178.23 2yxj h GLY 147 N 0.27 1.47 0.89 2.40 0.00 -0.76 -0.26 103.07 107.08 2yxj h GLY 147 Ca 0.07 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2yxj h GLY 147 CO 0.03 0.31 0.09 -1.33 0.00 0.00 0.00 176.54 175.64 2yxj h GLY 148 N 1.12 0.39 1.01 4.60 0.00 -0.79 -1.97 103.07 107.42 2yxj h GLY 148 Ca 0.42 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.54 2yxj h GLY 148 CO -0.17 0.21 0.50 0.00 0.00 0.00 0.00 176.54 177.08 2yxj h ALA 149 N 0.92 0.96 -0.45 3.60 0.00 -0.99 -0.95 119.26 122.35 2yxj h ALA 149 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2yxj h ALA 149 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2yxj h ALA 149 CO -0.00 0.38 0.26 1.25 0.00 0.00 0.00 179.25 181.13 2yxj h LEU 150 N 1.03 0.56 -0.05 0.00 5.85 -0.95 0.21 115.31 121.96 2yxj h LEU 150 Ca 0.28 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2yxj h LEU 150 Cb -0.12 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 2yxj h LEU 150 CO -0.06 0.48 0.01 0.00 -0.34 0.00 0.00 178.44 178.52 2yxj h VAL 152 N -0.16 1.06 -0.79 0.00 2.07 -1.02 -1.95 116.25 115.45 2yxj h VAL 152 Ca 0.02 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2yxj h VAL 152 Cb 0.28 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2yxj h VAL 152 CO 0.00 0.14 0.36 -0.08 0.02 0.00 0.00 177.57 178.02 2yxj h GLU 153 N 0.78 1.15 -0.27 1.57 4.57 -0.48 -0.81 114.58 121.09 2yxj h GLU 153 Ca 0.27 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2yxj h GLU 153 Cb 0.06 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2yxj h GLU 153 CO -0.12 0.90 0.16 0.77 -1.18 0.00 0.00 179.01 179.54 2yxj h SER 154 N 1.13 0.33 -0.51 1.04 0.02 -0.77 0.99 113.55 115.78 2yxj h SER 154 Ca 0.27 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2yxj h SER 154 Cb 0.14 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2yxj h SER 154 CO -0.03 0.30 0.08 0.58 -1.14 0.00 0.00 176.83 176.62 2yxj h VAL 155 N 0.34 1.25 -0.74 2.27 2.07 -1.21 0.24 116.25 120.47 2yxj h VAL 155 Ca 0.10 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.76 2yxj h VAL 155 Cb 0.03 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 2yxj h VAL 155 CO -0.02 0.34 0.40 0.44 0.02 0.00 0.00 177.57 178.75 2yxj h ASP 156 N 0.73 0.55 -0.38 0.57 3.32 -0.89 -1.33 116.42 119.00 2yxj h ASP 156 Ca 0.16 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2yxj h ASP 156 Cb 0.40 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2yxj h ASP 156 CO 0.01 0.32 0.00 0.29 -1.72 0.00 0.00 179.24 178.14 2yxj n LYS 157 N -4.81 2.61 -1.75 3.56 4.76 0.32 -4.91 118.16 117.95 2yxj n LYS 157 Ca 0.11 -1.67 -0.08 0.00 -2.87 0.00 0.00 58.31 53.80 2yxj n LYS 157 Cb 0.25 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 2yxj n LYS 157 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2yxj n GLU 158 N 0.56 -0.60 -3.21 1.97 -0.58 -0.50 -4.95 120.64 113.32 2yxj n GLU 158 Ca 0.15 0.56 -0.31 0.00 -0.42 0.00 0.00 57.16 57.14 2yxj n GLU 158 Cb 0.58 -4.46 -0.05 0.00 -0.57 0.00 0.00 31.44 26.94 2yxj n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2yxj n MET 159 N -2.20 3.24 0.22 3.49 2.81 0.73 -4.88 117.12 120.53 2yxj n MET 159 Ca -0.09 -4.68 0.08 0.00 -1.81 0.00 0.00 57.70 51.20 2yxj n MET 159 Cb 0.44 -2.32 0.52 0.00 -0.71 0.00 0.00 33.22 31.15 2yxj n MET 159 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2yxj h GLN 160 N 4.27 0.00 0.00 0.03 4.20 -1.88 -2.68 115.11 119.05 2yxj h GLN 160 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2yxj h GLN 160 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2yxj h GLN 160 CO 0.97 0.24 0.00 -0.24 -0.67 0.00 0.00 178.83 179.13 2yxj h VAL 161 N 0.00 0.00 0.00 -0.54 3.04 -1.93 -2.21 116.25 114.62 2yxj h VAL 161 Ca -0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2yxj h VAL 161 Cb 0.57 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 2yxj h VAL 161 CO 0.03 0.00 0.00 -0.07 -1.01 0.00 0.00 177.57 176.52 2yxj h LEU 162 N 0.00 0.00 0.53 3.16 3.38 -1.87 -3.33 115.31 117.18 2yxj h LEU 162 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2yxj h LEU 162 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2yxj h LEU 162 CO 0.00 0.00 -0.26 0.58 0.09 0.00 0.00 178.44 178.85 2yxj h VAL 163 N 0.00 0.47 0.00 1.22 2.07 -1.59 0.52 116.25 118.93 2yxj h VAL 163 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2yxj h VAL 163 Cb 0.68 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2yxj h VAL 163 CO 0.00 0.01 -0.18 0.77 0.02 0.00 0.00 177.57 178.20 2yxj h SER 164 N -0.77 0.00 -0.00 0.57 4.64 -1.78 -0.60 113.55 115.61 2yxj h SER 164 Ca -0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2yxj h SER 164 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2yxj h SER 164 CO 0.12 0.18 -0.00 0.03 -0.87 0.00 0.00 176.83 176.29 2yxj h ARG 165 N 0.00 0.00 -0.42 4.77 3.08 -1.61 -2.26 114.38 117.94 2yxj h ARG 165 Ca -0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2yxj h ARG 165 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 2yxj h ARG 165 CO 0.02 0.62 0.20 0.82 -1.07 0.00 0.00 179.97 180.56 2yxj h ILE 166 N -0.61 0.95 -0.58 2.04 2.04 -0.60 -1.74 117.51 119.01 2yxj h ILE 166 Ca -0.00 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 65.83 2yxj h ILE 166 Cb 0.62 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 2yxj h ILE 166 CO 0.00 0.07 0.11 0.00 0.00 0.00 0.00 178.15 178.34 2yxj h ALA 167 N 1.23 0.67 -0.38 1.87 0.00 -1.12 0.19 119.26 121.72 2yxj h ALA 167 Ca 0.18 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2yxj h ALA 167 Cb 0.11 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2yxj h ALA 167 CO -0.14 -0.31 -0.21 0.00 0.00 0.00 0.00 179.25 178.58 2yxj h ALA 168 N 1.47 0.91 -0.31 0.00 0.00 -1.11 -1.52 119.26 118.70 2yxj h ALA 168 Ca 0.30 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2yxj h ALA 168 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2yxj h ALA 168 CO -0.40 0.62 -0.27 -1.49 0.00 0.00 0.00 179.25 177.72 2yxj h TRP 169 N 0.65 0.71 0.15 0.00 6.55 -0.66 -2.22 115.95 121.13 2yxj h TRP 169 Ca 0.09 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 59.76 2yxj h TRP 169 Cb 0.71 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.85 2yxj h TRP 169 CO 0.04 0.83 -0.07 0.52 -1.05 0.00 0.00 178.44 178.70 2yxj h MET 170 N 0.54 -0.19 -0.52 0.49 2.86 -0.68 -1.72 114.93 115.70 2yxj h MET 170 Ca 0.07 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.82 2yxj h MET 170 Cb 0.74 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.37 2yxj h MET 170 CO 0.06 -0.02 0.09 0.00 1.06 0.00 0.00 176.91 178.10 2yxj h ALA 171 N 0.49 0.58 -0.90 6.32 0.00 -1.24 -0.51 119.26 124.02 2yxj h ALA 171 Ca -0.02 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2yxj h ALA 171 Cb 0.27 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2yxj h ALA 171 CO 0.03 -0.32 0.59 1.15 0.00 0.00 0.00 179.25 180.71 2yxj h THR 172 N 0.23 1.22 -0.46 0.00 2.02 -1.35 -0.55 112.91 114.02 2yxj h THR 172 Ca 0.27 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 2yxj h THR 172 Cb 0.37 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2yxj h THR 172 CO -0.36 0.22 -0.18 0.22 0.37 0.00 0.00 175.52 175.79 2yxj h TYR 173 N 1.21 1.07 0.06 3.16 5.03 -0.32 -0.86 116.97 126.31 2yxj h TYR 173 Ca 0.33 -0.25 0.02 0.00 2.58 0.00 0.00 58.73 61.41 2yxj h TYR 173 Cb -0.13 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 37.85 2yxj h TYR 173 CO -0.01 1.05 -0.42 -0.07 -1.32 0.00 0.00 178.16 177.39 2yxj h LEU 174 N 0.78 -1.27 -0.39 2.82 3.38 -0.84 0.70 115.31 120.48 2yxj h LEU 174 Ca 0.11 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2yxj h LEU 174 Cb 0.75 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2yxj h LEU 174 CO 0.06 -0.48 0.26 0.78 0.09 0.00 0.00 178.44 179.15 2yxj h ASN 175 N -0.62 0.46 0.42 -0.43 4.21 -0.97 0.26 115.58 118.91 2yxj h ASN 175 Ca 0.03 -0.02 -0.31 0.00 1.21 0.00 0.00 56.30 57.21 2yxj h ASN 175 Cb 0.67 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 2yxj h ASN 175 CO -0.28 0.34 -1.67 0.44 -1.29 0.00 0.00 177.43 174.97 2yxj h ASP 176 N 0.53 0.23 0.00 5.81 3.32 -1.18 -3.39 116.42 121.74 2yxj h ASP 176 Ca 0.14 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2yxj h ASP 176 Cb -0.05 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2yxj h ASP 176 CO -0.03 1.36 -0.57 1.41 -1.72 0.00 0.00 179.24 179.69 2yxj n HIS 177 N -3.31 0.00 0.00 4.55 8.25 0.22 -4.81 115.22 120.12 2yxj n HIS 177 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2yxj n HIS 177 Cb 1.04 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2yxj n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2yxj n LEU 178 N -1.30 0.87 -0.07 2.41 4.32 -0.77 -4.76 117.00 117.70 2yxj n LEU 178 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.01 2yxj n LEU 178 Cb 0.06 0.00 0.35 0.00 -1.62 0.00 0.00 43.42 42.21 2yxj n LEU 178 CO 0.06 0.14 1.15 -0.08 -1.22 0.00 0.00 177.39 177.45 2yxj h GLU 179 N 0.00 0.68 -0.52 3.23 4.57 -0.70 -1.51 114.58 120.33 2yxj h GLU 179 Ca 0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2yxj h GLU 179 Cb 0.98 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2yxj h GLU 179 CO 0.00 0.48 0.27 -1.35 -1.18 0.00 0.00 179.01 177.23 2yxj h PRO 180 N 0.69 0.73 -0.61 0.92 0.11 -1.84 -2.53 132.00 129.48 2yxj h PRO 180 Ca 0.18 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 2yxj h PRO 180 Cb -0.02 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 2yxj h PRO 180 CO -0.03 0.58 0.11 2.35 -0.21 0.00 0.00 178.00 180.80 2yxj h TRP 181 N 0.69 1.06 -0.86 0.65 7.01 -1.68 -1.54 115.95 121.28 2yxj h TRP 181 Ca 0.18 -0.14 0.11 0.00 2.11 0.00 0.00 58.89 61.15 2yxj h TRP 181 Cb 0.07 -0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 26.78 2yxj h TRP 181 CO -0.01 0.91 0.56 0.82 -2.79 0.00 0.00 178.44 177.92 2yxj h ILE 182 N 0.91 0.92 0.17 2.65 2.04 -1.19 -1.30 117.51 121.70 2yxj h ILE 182 Ca 0.19 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2yxj h ILE 182 Cb 0.41 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2yxj h ILE 182 CO 0.01 0.14 -0.08 1.56 0.00 0.00 0.00 178.15 179.78 2yxj h GLN 183 N 0.77 -0.22 0.00 2.37 1.08 -1.02 0.46 115.11 118.55 2yxj h GLN 183 Ca 0.41 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 2yxj h GLN 183 Cb 0.52 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2yxj h GLN 183 CO -0.17 0.21 0.63 0.93 -0.95 0.00 0.00 178.83 179.48 2yxj h GLU 184 N -0.85 0.00 0.00 1.46 3.07 -0.89 -2.77 114.58 114.61 2yxj h GLU 184 Ca -0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2yxj h GLU 184 Cb 0.52 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.38 2yxj h GLU 184 CO 0.04 0.00 -0.38 0.09 -1.40 0.00 0.00 179.01 177.36 2yxj n ASN 185 N -2.37 1.53 0.00 1.42 3.02 -0.53 -5.00 115.26 113.34 2yxj n ASN 185 Ca -0.01 -2.95 0.00 0.00 -0.03 0.00 0.00 54.58 51.60 2yxj n ASN 185 Cb 0.65 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2yxj n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yxj n GLY 186 N -0.80 0.82 2.30 7.41 0.00 -1.04 -4.84 105.19 109.03 2yxj n GLY 186 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2yxj n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yxj n GLY 187 N -2.18 -1.81 0.03 -0.02 0.00 0.16 -3.29 105.19 98.08 2yxj n GLY 187 Ca 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 44.91 2yxj n GLY 187 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2yxj n TRP 188 N -3.33 0.19 -0.04 1.61 7.02 -1.26 -2.30 117.44 119.34 2yxj n TRP 188 Ca 0.01 0.08 -0.16 0.00 -1.02 0.00 0.00 57.50 56.40 2yxj n TRP 188 Cb 0.45 -0.62 -0.06 0.00 -2.42 0.00 0.00 31.31 28.66 2yxj n TRP 188 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2yxj h ASP 189 N 0.00 0.96 -0.17 -0.99 3.32 -1.98 -2.77 116.42 114.78 2yxj h ASP 189 Ca 0.00 -0.58 -0.08 0.00 0.02 0.00 0.00 57.03 56.39 2yxj h ASP 189 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2yxj h ASP 189 CO 0.00 1.38 -0.13 0.74 -1.72 0.00 0.00 179.24 179.51 2yxj h THR 190 N 0.59 1.24 -0.24 0.35 2.02 -1.44 -1.42 112.91 114.01 2yxj h THR 190 Ca -0.03 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.10 2yxj h THR 190 Cb 1.31 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 2yxj h THR 190 CO 0.15 0.36 0.07 0.15 0.37 0.00 0.00 175.52 176.61 2yxj h PHE 191 N 0.51 0.12 -0.56 3.16 3.57 -1.55 -0.92 116.94 121.27 2yxj h PHE 191 Ca 0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2yxj h PHE 191 Cb 0.53 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2yxj h PHE 191 CO 0.02 0.05 0.07 0.28 -2.23 0.00 0.00 178.31 176.50 2yxj h VAL 192 N 0.17 1.26 -0.42 1.41 2.07 -1.18 0.19 116.25 119.75 2yxj h VAL 192 Ca 0.11 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.64 2yxj h VAL 192 Cb 0.09 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2yxj h VAL 192 CO -0.13 0.36 0.25 -0.08 0.02 0.00 0.00 177.57 178.00 2yxj h GLU 193 N 0.84 0.50 -0.19 1.57 4.81 -1.22 0.20 114.58 121.08 2yxj h GLU 193 Ca 0.17 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 2yxj h GLU 193 Cb 0.44 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2yxj h GLU 193 CO 0.01 0.33 -0.59 -0.07 -0.73 0.00 0.00 179.01 177.96 2yxj h LEU 194 N 0.51 0.71 -2.74 1.64 3.38 -0.81 -3.40 115.31 114.61 2yxj h LEU 194 Ca 0.16 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 2yxj h LEU 194 Cb -0.00 -0.20 -0.27 0.00 0.09 0.00 0.00 40.66 40.27 2yxj h LEU 194 CO -0.07 1.14 -0.86 -1.22 0.09 0.00 0.00 178.44 177.51 2yxj n TYR 195 N -3.95 0.00 -0.10 1.13 4.02 0.63 -5.09 117.16 113.80 2yxj n TYR 195 Ca -0.04 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.44 2yxj n TYR 195 Cb 0.63 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2yxj n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26