#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf s SER 2 N 0.00 -0.15 0.35 1.61 0.15 -1.26 -4.63 113.70 109.77 2yuf s SER 2 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2yuf s SER 2 Cb 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2yuf s SER 2 CO 0.00 -0.37 0.00 -1.20 1.20 0.00 0.00 173.24 172.87 2yuf n SER 3 N -0.26 -8.58 0.00 5.45 7.64 -1.26 -5.06 113.62 111.55 2yuf n SER 3 Ca -0.04 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2yuf n SER 3 Cb 0.60 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 2yuf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 4 N -4.25 4.08 0.79 0.23 0.00 -1.26 -4.99 105.19 99.78 2yuf n GLY 4 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2yuf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuf n SER 5 N 0.00 -0.51 0.09 1.61 2.88 -1.26 -4.96 113.62 111.48 2yuf n SER 5 Ca 0.00 0.20 -0.07 0.00 -1.33 0.00 0.00 58.87 57.67 2yuf n SER 5 Cb 0.00 0.69 -0.02 0.00 -0.75 0.00 0.00 64.21 64.13 2yuf n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2yuf h SER 6 N 0.00 0.15 -0.34 -3.46 0.02 -2.06 -3.49 113.55 104.37 2yuf h SER 6 Ca 0.00 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2yuf h SER 6 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2yuf h SER 6 CO 0.00 0.97 0.17 0.61 -1.14 0.00 0.00 176.83 177.44 2yuf n GLY 7 N 0.94 0.35 3.88 -3.77 0.00 -1.26 -5.16 105.19 100.18 2yuf n GLY 7 Ca -0.02 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 2yuf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuf s GLU 8 N -2.00 3.74 0.19 1.61 2.02 -1.26 -4.66 118.70 118.34 2yuf s GLU 8 Ca 0.05 0.15 -0.08 0.00 0.02 0.00 0.00 54.97 55.12 2yuf s GLU 8 Cb -0.00 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.53 2yuf s GLU 8 CO -0.00 0.38 0.43 0.00 0.02 0.00 0.00 175.26 176.09 2yuf n ALA 9 N 0.01 -0.99 -1.95 5.21 0.00 -1.26 -5.05 120.51 116.48 2yuf n ALA 9 Ca -0.01 -0.65 -0.28 0.00 0.00 0.00 0.00 53.44 52.50 2yuf n ALA 9 Cb 0.52 0.50 0.17 0.00 0.00 0.00 0.00 19.45 20.64 2yuf n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yuf s LEU 10 N 0.00 2.79 0.00 0.00 1.43 -1.26 -5.06 118.68 116.58 2yuf s LEU 10 Ca 0.09 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2yuf s LEU 10 Cb -0.02 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2yuf s LEU 10 CO 0.06 -2.58 0.00 -0.67 0.23 0.00 0.00 176.35 173.39 2yuf n ASP 11 N -3.56 -0.25 0.07 2.29 -0.08 -1.26 -4.75 116.55 109.01 2yuf n ASP 11 Ca 0.16 -0.86 -0.21 0.00 -1.51 0.00 0.00 54.79 52.37 2yuf n ASP 11 Cb 0.60 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.91 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yuf h ALA 12 N -2.00 -0.08 -0.03 -1.67 0.00 -1.98 -1.57 119.26 111.93 2yuf h ALA 12 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 2yuf h ALA 12 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2yuf h ALA 12 CO 0.00 0.46 -0.51 0.00 0.00 0.00 0.00 179.25 179.20 2yuf h ALA 13 N 0.14 1.10 0.00 0.00 0.00 -1.96 -2.09 119.26 116.45 2yuf h ALA 13 Ca -0.16 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2yuf h ALA 13 Cb 1.74 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 2yuf h ALA 13 CO 0.18 0.65 -0.00 0.00 0.00 0.00 0.00 179.25 180.08 2yuf h ALA 14 N 1.42 0.00 -0.11 0.00 0.00 -1.94 -3.28 119.26 115.34 2yuf h ALA 14 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2yuf h ALA 14 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2yuf h ALA 14 CO 0.07 0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.40 2yuf h ALA 15 N -0.08 2.02 0.21 0.00 0.00 -1.33 -2.54 119.26 117.54 2yuf h ALA 15 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2yuf h ALA 15 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2yuf h ALA 15 CO -0.00 -0.04 -0.10 -0.07 0.00 0.00 0.00 179.25 179.04 2yuf h LEU 16 N 0.07 -0.24 -1.88 0.00 3.38 -1.47 0.62 115.31 115.80 2yuf h LEU 16 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2yuf h LEU 16 Cb 0.11 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2yuf h LEU 16 CO -0.01 -0.16 0.08 -1.28 0.09 0.00 0.00 178.44 177.17 2yuf h SER 17 N -0.30 0.14 0.82 -0.43 0.87 -1.52 0.22 113.55 113.35 2yuf h SER 17 Ca -0.03 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.35 2yuf h SER 17 Cb 0.23 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2yuf h SER 17 CO 0.05 0.11 -0.86 0.58 -0.53 0.00 0.00 176.83 176.17 2yuf h VAL 18 N 0.17 1.60 0.00 2.23 2.07 -1.20 -1.79 116.25 119.32 2yuf h VAL 18 Ca 0.05 -2.89 -0.15 0.00 0.82 0.00 0.00 66.70 64.53 2yuf h VAL 18 Cb -0.02 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2yuf h VAL 18 CO -0.01 0.83 -0.98 0.00 0.02 0.00 0.00 177.57 177.43 2yuf h ALA 19 N 1.12 0.63 0.03 1.67 0.00 0.24 -3.12 119.26 119.83 2yuf h ALA 19 Ca -0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 2yuf h ALA 19 Cb 1.51 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2yuf h ALA 19 CO 0.11 0.84 -0.46 0.93 0.00 0.00 0.00 179.25 180.67 2yuf h GLU 20 N 0.00 0.06 -0.31 0.00 5.08 -0.64 -3.29 114.58 115.48 2yuf h GLU 20 Ca -0.08 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2yuf h GLU 20 Cb 1.53 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 2yuf h GLU 20 CO 0.06 1.05 0.19 0.00 -1.00 0.00 0.00 179.01 179.31 2yuf h VAL 22 N 0.39 0.63 0.00 0.00 3.04 -1.70 0.38 116.25 118.98 2yuf h VAL 22 Ca 0.12 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.76 2yuf h VAL 22 Cb -0.01 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 2yuf h VAL 22 CO -0.05 0.00 -0.86 -0.33 -1.01 0.00 0.00 177.57 175.32 2yuf h GLU 23 N 0.00 0.00 0.00 4.17 5.08 -1.39 -2.90 114.58 119.54 2yuf h GLU 23 Ca 0.19 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 2yuf h GLU 23 Cb 0.86 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2yuf h GLU 23 CO -0.00 0.12 -1.38 0.54 -1.00 0.00 0.00 179.01 177.29 2yuf n ARG 24 N -2.86 0.62 0.02 2.33 1.74 0.60 -4.10 116.66 115.00 2yuf n ARG 24 Ca -0.01 0.22 -0.05 0.00 -0.77 0.00 0.00 57.85 57.24 2yuf n ARG 24 Cb 0.63 -1.81 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 2yuf n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yuf h MET 25 N 0.00 0.00 0.21 5.56 -0.00 -0.53 -3.38 114.93 116.80 2yuf h MET 25 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.55 2yuf h MET 25 Cb 1.55 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.14 2yuf h MET 25 CO 0.04 0.49 -0.17 0.00 -0.00 0.00 0.00 176.91 177.27 2yuf h ALA 26 N 1.17 -0.38 -0.89 -3.00 0.00 -1.66 0.40 119.26 114.91 2yuf h ALA 26 Ca -0.19 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 54.86 2yuf h ALA 26 Cb 1.80 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 19.71 2yuf h ALA 26 CO 0.07 -0.73 0.42 -1.35 0.00 0.00 0.00 179.25 177.66 2yuf h PRO 27 N -0.40 0.47 0.03 0.00 0.11 -1.74 -0.30 132.00 130.17 2yuf h PRO 27 Ca -0.01 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.84 2yuf h PRO 27 Cb 0.36 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 2yuf h PRO 27 CO -0.02 0.31 -1.15 0.00 -0.21 0.00 0.00 178.00 176.94 2yuf h THR 28 N 0.49 1.56 -3.68 -1.15 1.03 -1.68 -3.45 112.91 106.02 2yuf h THR 28 Ca 0.53 -3.25 -0.50 0.00 -0.01 0.00 0.00 66.41 63.18 2yuf h THR 28 Cb 0.94 2.81 -0.02 0.00 -1.07 0.00 0.00 68.15 70.82 2yuf h THR 28 CO -0.47 0.90 0.37 -0.76 -0.01 0.00 0.00 175.52 175.56 2yuf s LEU 29 N -6.73 4.59 1.02 0.00 1.43 0.14 -5.06 118.68 114.07 2yuf s LEU 29 Ca -0.01 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.86 2yuf s LEU 29 Cb 0.09 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.92 2yuf s LEU 29 CO 0.83 0.04 1.23 -2.16 0.23 0.00 0.00 176.35 176.52 2yuf s PRO 30 N -0.78 0.18 0.26 1.29 0.04 -1.26 -4.80 135.00 129.92 2yuf s PRO 30 Ca 0.44 -0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.32 2yuf s PRO 30 Cb -0.26 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2yuf s PRO 30 CO 0.32 -2.76 0.01 -1.59 0.04 0.00 0.00 177.00 173.03 2yuf s LYS 31 N -5.65 1.43 0.28 4.56 -2.85 -1.26 -5.10 119.74 111.16 2yuf s LYS 31 Ca 0.71 -1.74 0.10 0.00 -1.00 0.00 0.00 55.97 54.04 2yuf s LYS 31 Cb -0.07 -0.69 -0.05 0.00 -2.06 0.00 0.00 37.83 34.96 2yuf s LYS 31 CO 0.54 -0.12 -0.04 0.45 0.10 0.00 0.00 175.35 176.28 2yuf s SER 32 N -3.36 4.27 0.51 0.03 0.15 -1.26 -5.14 113.70 108.91 2yuf s SER 32 Ca 0.31 -0.80 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 2yuf s SER 32 Cb 0.06 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 2yuf s SER 32 CO 0.11 -0.04 0.84 -1.81 1.20 0.00 0.00 173.24 173.54 2yuf s ASP 33 N -3.65 6.26 -0.10 5.45 1.11 -1.26 -4.96 116.67 119.53 2yuf s ASP 33 Ca 0.32 1.04 0.13 0.00 0.18 0.00 0.00 52.55 54.22 2yuf s ASP 33 Cb -0.05 -2.30 -0.24 0.00 1.07 0.00 0.00 42.92 41.41 2yuf s ASP 33 CO 0.19 -0.64 0.44 0.18 1.18 0.00 0.00 175.17 176.52 2yuf n LEU 34 N -2.35 0.79 0.14 1.23 4.77 -1.26 -3.89 117.00 116.44 2yuf n LEU 34 Ca 0.02 0.26 0.06 0.00 -0.03 0.00 0.00 56.01 56.32 2yuf n LEU 34 Cb 0.55 0.15 0.53 0.00 -2.33 0.00 0.00 43.42 42.32 2yuf n LEU 34 CO 0.54 0.47 1.08 -1.13 -1.33 0.00 0.00 177.39 177.02 2yuf h ASN 35 N 0.00 0.20 0.24 -1.43 -0.73 -1.99 0.12 115.58 111.99 2yuf h ASN 35 Ca -0.38 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 57.77 2yuf h ASN 35 Cb 2.08 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 40.62 2yuf h ASN 35 CO 0.06 0.18 -0.11 -0.33 -0.37 0.00 0.00 177.43 176.85 2yuf h GLU 36 N 0.24 -0.31 -0.11 6.67 5.08 -2.00 -3.19 114.58 120.96 2yuf h GLU 36 Ca 0.06 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2yuf h GLU 36 Cb 0.03 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2yuf h GLU 36 CO -0.01 -0.10 0.08 -0.39 -1.00 0.00 0.00 179.01 177.60 2yuf h VAL 37 N -1.05 0.87 0.72 3.13 -1.51 -1.65 -2.74 116.25 114.03 2yuf h VAL 37 Ca -0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.41 2yuf h VAL 37 Cb 0.35 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 2yuf h VAL 37 CO 0.05 0.00 -0.40 0.11 -1.23 0.00 0.00 177.57 176.10 2yuf h LYS 38 N 0.00 -1.00 -0.26 5.19 1.57 -0.83 -2.40 116.57 118.84 2yuf h LYS 38 Ca 0.05 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2yuf h LYS 38 Cb 0.22 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2yuf h LYS 38 CO -0.00 -0.67 0.18 0.93 -0.57 0.00 0.00 179.45 179.32 2yuf h GLU 39 N -1.04 0.12 -0.00 3.15 5.08 -1.48 -0.41 114.58 120.00 2yuf h GLU 39 Ca -0.09 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2yuf h GLU 39 Cb 0.82 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2yuf h GLU 39 CO 0.12 0.08 -0.21 -0.07 -1.00 0.00 0.00 179.01 177.93 2yuf h LEU 40 N 0.13 0.00 -0.17 1.33 3.38 -1.17 -2.67 115.31 116.13 2yuf h LEU 40 Ca 0.12 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2yuf h LEU 40 Cb 0.30 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2yuf h LEU 40 CO -0.01 0.22 -0.64 -0.07 0.09 0.00 0.00 178.44 178.02 2yuf h LEU 41 N 0.00 0.87 -1.99 1.67 3.38 -0.60 -1.29 115.31 117.35 2yuf h LEU 41 Ca -0.00 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.38 2yuf h LEU 41 Cb 0.38 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2yuf h LEU 41 CO 0.03 1.33 0.05 0.11 0.09 0.00 0.00 178.44 180.04 2yuf h LYS 42 N 0.46 0.01 0.03 1.13 6.56 -1.36 -2.02 116.57 121.37 2yuf h LYS 42 Ca -0.03 -0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.27 2yuf h LYS 42 Cb 1.27 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.89 2yuf h LYS 42 CO 0.14 0.01 -1.63 0.00 -2.06 0.00 0.00 179.45 175.91 2yuf h THR 43 N 0.01 0.97 -2.48 -0.16 1.03 -1.45 -3.47 112.91 107.36 2yuf h THR 43 Ca 0.03 -2.77 -0.44 0.00 -0.01 0.00 0.00 66.41 63.23 2yuf h THR 43 Cb 0.12 2.52 0.04 0.00 -1.07 0.00 0.00 68.15 69.77 2yuf h THR 43 CO -0.00 0.64 -0.05 0.20 -0.01 0.00 0.00 175.52 176.30 2yuf s ASN 44 N -6.38 5.33 0.00 0.00 -0.87 -0.49 -5.04 114.94 107.48 2yuf s ASN 44 Ca -0.06 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 2yuf s ASN 44 Cb 0.08 -0.90 0.00 0.00 -0.02 0.00 0.00 41.25 40.41 2yuf s ASN 44 CO 0.82 -1.10 0.00 1.17 -2.57 0.00 0.00 177.10 175.42 2yuf n LYS 45 N -2.30 0.00 0.12 -0.60 4.81 -1.26 -4.55 118.16 114.37 2yuf n LYS 45 Ca 0.08 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.61 2yuf n LYS 45 Cb 0.60 -0.17 0.58 0.00 0.02 0.00 0.00 35.03 36.05 2yuf n LYS 45 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2yuf h LYS 46 N 0.00 0.18 0.02 1.64 1.57 -1.96 -1.40 116.57 116.62 2yuf h LYS 46 Ca 0.00 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 2yuf h LYS 46 Cb 0.05 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2yuf h LYS 46 CO 0.00 0.12 -1.92 1.28 -0.57 0.00 0.00 179.45 178.36 2yuf n LEU 47 N -4.49 0.98 0.27 2.94 4.77 -1.26 -3.51 117.00 116.70 2yuf n LEU 47 Ca 0.02 0.28 0.14 0.00 -0.03 0.00 0.00 56.01 56.42 2yuf n LEU 47 Cb 0.20 0.04 0.75 0.00 -2.33 0.00 0.00 43.42 42.08 2yuf n LEU 47 CO 0.35 0.49 0.99 0.00 -1.33 0.00 0.00 177.39 177.88 2yuf h ALA 48 N 0.85 1.23 0.00 -1.18 0.00 -1.65 -0.07 119.26 118.44 2yuf h ALA 48 Ca -0.37 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 2yuf h ALA 48 Cb 2.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 2yuf h ALA 48 CO 0.06 0.13 -1.52 1.17 0.00 0.00 0.00 179.25 179.09 2yuf n LYS 49 N -3.54 0.63 -0.06 0.00 4.81 -0.58 -2.29 118.16 117.12 2yuf n LYS 49 Ca -0.02 0.15 -0.02 0.00 -0.87 0.00 0.00 58.31 57.56 2yuf n LYS 49 Cb 0.24 -1.76 -0.01 0.00 0.02 0.00 0.00 35.03 33.52 2yuf n LYS 49 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2yuf h MET 50 N 0.00 0.00 -0.12 1.64 4.05 -1.47 -3.42 114.93 115.61 2yuf h MET 50 Ca -0.17 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.11 2yuf h MET 50 Cb 1.54 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 32.12 2yuf h MET 50 CO 0.04 0.03 -0.78 0.44 0.23 0.00 0.00 176.91 176.86 2yuf n ILE 51 N -4.73 1.38 -0.04 1.77 -5.35 -0.09 -4.78 119.36 107.52 2yuf n ILE 51 Ca -0.02 -2.53 -0.16 0.00 -0.27 0.00 0.00 62.75 59.77 2yuf n ILE 51 Cb 0.09 0.23 -0.14 0.00 -1.74 0.00 0.00 39.64 38.08 2yuf n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yuf n GLY 52 N -0.46 -0.69 0.23 3.28 0.00 -0.94 -4.06 105.19 102.56 2yuf n GLY 52 Ca 0.16 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2yuf n GLY 52 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2yuf h HIS 53 N 0.03 0.00 -0.27 1.61 2.07 -1.85 -2.56 115.15 114.18 2yuf h HIS 53 Ca -0.44 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 56.93 2yuf h HIS 53 Cb 2.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.00 2yuf h HIS 53 CO 0.04 0.21 -0.46 0.82 -3.07 0.00 0.00 177.93 175.47 2yuf h ILE 54 N 0.00 1.29 -0.11 6.12 2.04 -1.91 -1.80 117.51 123.14 2yuf h ILE 54 Ca -0.00 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 2yuf h ILE 54 Cb 0.43 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2yuf h ILE 54 CO 0.03 0.53 0.03 -0.26 0.00 0.00 0.00 178.15 178.48 2yuf h PHE 55 N 0.57 0.18 -0.11 1.37 0.04 -1.60 -2.86 116.94 114.53 2yuf h PHE 55 Ca 0.03 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 2yuf h PHE 55 Cb 1.01 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 2yuf h PHE 55 CO 0.05 0.32 -0.25 0.93 -0.60 0.00 0.00 178.31 178.76 2yuf h GLU 56 N -0.01 0.19 -7.28 1.51 5.08 -1.53 -3.44 114.58 109.10 2yuf h GLU 56 Ca 0.04 -0.06 -0.52 0.00 -1.00 0.00 0.00 59.36 57.82 2yuf h GLU 56 Cb 0.22 -0.02 0.19 0.00 0.50 0.00 0.00 28.75 29.64 2yuf h GLU 56 CO -0.00 0.43 0.24 1.41 -1.00 0.00 0.00 179.01 180.08 2yuf s MET 57 N -4.48 1.19 1.17 2.33 1.75 -0.68 -5.00 119.30 115.58 2yuf s MET 57 Ca -0.05 1.47 -0.20 0.00 -1.25 0.00 0.00 55.69 55.66 2yuf s MET 57 Cb 0.15 -1.75 0.30 0.00 2.84 0.00 0.00 34.83 36.37 2yuf s MET 57 CO 0.74 -2.49 0.69 0.09 -0.65 0.00 0.00 175.02 173.40 2yuf n ASN 58 N -4.13 -3.76 -0.10 1.11 4.13 -1.26 -4.98 115.26 106.27 2yuf n ASN 58 Ca 0.11 -0.70 -0.13 0.00 1.68 0.00 0.00 54.58 55.55 2yuf n ASN 58 Cb 0.52 -0.79 -0.12 0.00 -1.54 0.00 0.00 39.78 37.86 2yuf n ASN 58 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2yuf n ASP 59 N -5.26 1.63 -2.51 6.41 9.92 -1.26 -4.50 116.55 120.97 2yuf n ASP 59 Ca 0.11 -0.08 -0.36 0.00 -0.53 0.00 0.00 54.79 53.93 2yuf n ASP 59 Cb 0.48 0.14 0.07 0.00 -0.64 0.00 0.00 41.12 41.16 2yuf n ASP 59 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2yuf n ASP 60 N -2.97 7.63 -4.40 -2.24 8.00 -1.26 -4.93 116.55 116.39 2yuf n ASP 60 Ca -0.36 -3.81 -0.36 0.00 0.71 0.00 0.00 54.79 50.98 2yuf n ASP 60 Cb 0.98 -1.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.95 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yuf s ASP 61 N -1.61 4.77 0.55 -2.24 2.15 -1.26 -4.98 116.67 114.04 2yuf s ASP 61 Ca 0.61 -0.27 0.28 0.00 0.43 0.00 0.00 52.55 53.60 2yuf s ASP 61 Cb 0.49 -1.84 1.46 0.00 -0.30 0.00 0.00 42.92 42.73 2yuf s ASP 61 CO -0.14 -0.01 1.94 -0.65 -0.17 0.00 0.00 175.17 176.14 2yuf h PRO 62 N 8.05 0.00 0.00 4.34 0.11 -1.98 0.13 132.00 142.65 2yuf h PRO 62 Ca -0.39 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 2yuf h PRO 62 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2yuf h PRO 62 CO 0.59 0.00 -0.12 0.45 -0.21 0.00 0.00 178.00 178.71 2yuf h HIS 63 N 0.00 0.00 0.30 0.65 3.86 -1.99 -2.90 115.15 115.07 2yuf h HIS 63 Ca 0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2yuf h HIS 63 Cb 1.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 2yuf h HIS 63 CO 0.00 0.12 -0.22 -0.22 0.86 0.00 0.00 177.93 178.48 2yuf h LYS 64 N 0.00 -0.50 -0.06 2.45 3.64 -1.09 0.08 116.57 121.10 2yuf h LYS 64 Ca -0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2yuf h LYS 64 Cb 0.22 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2yuf h LYS 64 CO 0.02 -0.33 0.04 0.93 -2.27 0.00 0.00 179.45 177.84 2yuf h GLU 65 N -0.51 0.00 0.00 1.90 3.07 -1.64 0.34 114.58 117.74 2yuf h GLU 65 Ca -0.02 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.69 2yuf h GLU 65 Cb 0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 2yuf h GLU 65 CO 0.00 0.00 -0.68 0.93 -1.40 0.00 0.00 179.01 177.87 2yuf h GLU 66 N 0.00 0.00 0.05 2.33 5.08 -1.26 -2.60 114.58 118.19 2yuf h GLU 66 Ca 0.03 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.15 2yuf h GLU 66 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2yuf h GLU 66 CO -0.00 0.68 -1.28 0.93 -1.00 0.00 0.00 179.01 178.33 2yuf h GLU 67 N 0.00 0.11 -0.72 2.33 4.39 0.54 -3.15 114.58 118.07 2yuf h GLU 67 Ca -0.01 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2yuf h GLU 67 Cb 1.38 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.06 2yuf h GLU 67 CO 0.09 1.09 0.36 0.82 -1.16 0.00 0.00 179.01 180.20 2yuf h ILE 68 N -0.65 1.23 -0.02 3.13 2.04 -0.52 -1.67 117.51 121.05 2yuf h ILE 68 Ca -0.31 -0.62 -0.14 0.00 1.00 0.00 0.00 64.86 64.79 2yuf h ILE 68 Cb 1.51 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2yuf h ILE 68 CO -0.07 0.26 -0.63 0.03 0.00 0.00 0.00 178.15 177.75 2yuf h ARG 69 N 1.02 0.06 -0.33 2.37 3.08 -1.63 0.21 114.38 119.16 2yuf h ARG 69 Ca 0.25 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.08 2yuf h ARG 69 Cb 0.09 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2yuf h ARG 69 CO -0.03 0.67 -0.48 -0.22 -1.07 0.00 0.00 179.97 178.83 2yuf h LYS 70 N 0.04 0.90 0.04 0.04 3.64 -1.36 -3.24 116.57 116.64 2yuf h LYS 70 Ca -0.01 -0.53 -0.27 0.00 -1.27 0.00 0.00 60.65 58.58 2yuf h LYS 70 Cb 1.11 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2yuf h LYS 70 CO 0.09 1.17 -1.37 1.88 -2.27 0.00 0.00 179.45 178.94 2yuf h TYR 71 N 0.71 0.17 -1.01 1.91 0.05 -1.29 -3.42 116.97 114.09 2yuf h TYR 71 Ca 0.03 -0.13 -0.41 0.00 0.05 0.00 0.00 58.73 58.28 2yuf h TYR 71 Cb 1.08 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.75 2yuf h TYR 71 CO 0.07 1.14 1.02 -1.12 -1.05 0.00 0.00 178.16 178.22 2yuf s SER 72 N -6.66 5.58 -0.31 3.88 0.01 0.74 -4.78 113.70 112.16 2yuf s SER 72 Ca -0.04 -0.79 -0.07 0.00 1.31 0.00 0.00 55.95 56.36 2yuf s SER 72 Cb 0.08 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.94 2yuf s SER 72 CO 0.83 -2.33 0.94 0.00 0.41 0.00 0.00 173.24 173.10 2yuf s ALA 73 N 8.38 -3.71 0.04 1.44 0.00 -1.26 -4.62 121.76 122.02 2yuf s ALA 73 Ca 0.62 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 53.66 2yuf s ALA 73 Cb -0.05 -2.80 -0.34 0.00 0.00 0.00 0.00 23.12 19.92 2yuf s ALA 73 CO -0.01 -2.11 1.03 0.82 0.00 0.00 0.00 175.76 175.49 2yuf h ILE 74 N 4.66 1.29 -1.00 0.00 2.04 -1.87 -3.31 117.51 119.32 2yuf h ILE 74 Ca -0.06 -2.65 -0.64 0.00 1.00 0.00 0.00 64.86 62.50 2yuf h ILE 74 Cb 1.19 2.97 -0.29 0.00 -0.74 0.00 0.00 36.82 39.94 2yuf h ILE 74 CO -0.04 0.80 0.83 -1.22 0.00 0.00 0.00 178.15 178.52 2yuf n TYR 75 N -3.73 3.19 -0.00 1.37 4.02 -1.26 -5.03 117.16 115.72 2yuf n TYR 75 Ca -0.16 -2.76 0.00 0.00 -0.01 0.00 0.00 57.90 54.97 2yuf n TYR 75 Cb 1.08 -1.34 -0.00 0.00 -0.02 0.00 0.00 39.34 39.06 2yuf n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2yuf n GLY 76 N -0.96 -1.67 1.20 2.72 0.00 -1.25 -4.88 105.19 100.35 2yuf n GLY 76 Ca 0.62 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2yuf n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yuf n ARG 77 N -1.90 0.00 0.00 1.61 0.63 -1.26 -4.78 116.66 110.96 2yuf n ARG 77 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2yuf n ARG 77 Cb 0.00 -0.11 0.00 0.00 0.45 0.00 0.00 32.46 32.80 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2yuf n PHE 78 N -2.78 -0.57 -1.32 -0.14 -1.74 -1.26 -4.77 117.46 104.88 2yuf n PHE 78 Ca 0.00 0.00 0.17 0.00 -0.56 0.00 0.00 57.45 57.06 2yuf n PHE 78 Cb 0.00 0.11 -0.06 0.00 1.52 0.00 0.00 39.48 41.06 2yuf n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 2yuf n ASP 79 N -1.57 -7.92 -4.68 5.98 2.03 -1.26 -4.81 116.55 104.31 2yuf n ASP 79 Ca 0.00 0.82 -0.34 0.00 0.52 0.00 0.00 54.79 55.79 2yuf n ASP 79 Cb 0.00 -4.20 0.11 0.00 -0.72 0.00 0.00 41.12 36.32 2yuf n ASP 79 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2yuf n SER 80 N -4.10 1.08 -2.20 1.67 2.88 -1.26 -4.91 113.62 106.78 2yuf n SER 80 Ca -0.02 0.64 -0.27 0.00 -1.33 0.00 0.00 58.87 57.88 2yuf n SER 80 Cb 0.61 -1.50 0.12 0.00 -0.75 0.00 0.00 64.21 62.69 2yuf n SER 80 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2yuf n LYS 81 N -2.80 2.36 -1.00 -1.46 2.85 -1.26 -4.24 118.16 112.61 2yuf n LYS 81 Ca 0.14 -2.91 0.05 0.00 -1.05 0.00 0.00 58.31 54.54 2yuf n LYS 81 Cb 0.50 -2.14 0.12 0.00 -0.65 0.00 0.00 35.03 32.86 2yuf n LYS 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2yuf n ARG 82 N -0.88 0.86 -3.60 -1.58 1.74 -1.26 -5.07 116.66 106.87 2yuf n ARG 82 Ca 0.57 -2.70 0.02 0.00 -0.77 0.00 0.00 57.85 54.97 2yuf n ARG 82 Cb 1.11 -0.88 -0.00 0.00 -1.02 0.00 0.00 32.46 31.67 2yuf n ARG 82 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2yuf s LYS 83 N -1.76 0.28 0.72 5.56 2.20 -1.26 -5.18 119.74 120.31 2yuf s LYS 83 Ca 0.36 -0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.69 2yuf s LYS 83 Cb 0.38 0.09 0.17 0.00 -1.51 0.00 0.00 37.83 36.96 2yuf s LYS 83 CO -0.11 -0.13 0.83 -0.25 -0.36 0.00 0.00 175.35 175.33 2yuf n ASP 84 N -0.49 -0.64 0.00 1.43 9.92 -1.26 -4.97 116.55 120.55 2yuf n ASP 84 Ca -0.09 -1.18 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 2yuf n ASP 84 Cb 0.63 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2yuf n GLY 85 N -1.46 0.00 1.44 0.44 0.00 -1.26 -5.02 105.19 99.33 2yuf n GLY 85 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2yuf n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuf n LYS 86 N 0.00 -4.04 -3.92 1.61 4.81 -1.26 -4.91 118.16 110.45 2yuf n LYS 86 Ca 0.00 3.04 -0.35 0.00 -0.87 0.00 0.00 58.31 60.13 2yuf n LYS 86 Cb 0.00 -3.52 -0.14 0.00 0.02 0.00 0.00 35.03 31.39 2yuf n LYS 86 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2yuf s HIS 87 N -3.87 3.17 1.05 5.64 3.76 -1.26 -5.11 115.29 118.67 2yuf s HIS 87 Ca 0.00 -1.68 -0.15 0.00 -0.15 0.00 0.00 55.06 53.08 2yuf s HIS 87 Cb 0.00 -2.10 0.21 0.00 1.11 0.00 0.00 32.58 31.81 2yuf s HIS 87 CO 0.00 -0.76 1.12 -0.51 -0.85 0.00 0.00 174.74 173.74 2yuf s LEU 88 N 1.30 1.42 0.02 0.89 1.43 -1.26 -5.03 118.68 117.45 2yuf s LEU 88 Ca -0.03 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2yuf s LEU 88 Cb -0.18 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2yuf s LEU 88 CO -0.02 -3.35 0.00 1.07 0.23 0.00 0.00 176.35 174.28 2yuf n THR 89 N -4.28 0.09 0.02 5.49 5.66 -1.26 -5.08 114.28 114.92 2yuf n THR 89 Ca 0.08 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2yuf n THR 89 Cb 0.59 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 2yuf n THR 89 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2yuf n LEU 90 N -2.90 -0.39 -0.10 1.09 7.94 -1.26 -4.98 117.00 116.40 2yuf n LEU 90 Ca 0.00 0.28 -0.08 0.00 -1.11 0.00 0.00 56.01 55.10 2yuf n LEU 90 Cb 0.29 0.60 -0.00 0.00 0.53 0.00 0.00 43.42 44.84 2yuf n LEU 90 CO 0.00 -0.02 1.00 -0.74 -1.11 0.00 0.00 177.39 176.52 2yuf h HIS 91 N 0.00 0.39 -0.12 1.96 2.76 -1.98 -0.14 115.15 118.03 2yuf h HIS 91 Ca 0.00 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2yuf h HIS 91 Cb 0.00 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 2yuf h HIS 91 CO 0.00 0.23 0.09 0.93 -1.30 0.00 0.00 177.93 177.88 2yuf h GLU 92 N 0.42 0.00 0.13 5.26 5.08 -1.96 -1.45 114.58 122.06 2yuf h GLU 92 Ca 0.13 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.20 2yuf h GLU 92 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2yuf h GLU 92 CO -0.05 0.00 -1.35 -0.07 -1.00 0.00 0.00 179.01 176.53 2yuf h LEU 93 N 0.00 0.42 -1.27 1.33 3.38 -1.67 -3.30 115.31 114.21 2yuf h LEU 93 Ca 0.05 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2yuf h LEU 93 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2yuf h LEU 93 CO -0.00 1.40 -0.30 0.74 0.09 0.00 0.00 178.44 180.36 2yuf h THR 94 N 0.07 1.24 0.00 0.22 2.02 -0.06 -2.12 112.91 114.28 2yuf h THR 94 Ca -0.18 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 2yuf h THR 94 Cb 1.99 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 2yuf h THR 94 CO 0.19 0.33 -0.24 0.58 0.37 0.00 0.00 175.52 176.76 2yuf h VAL 95 N 0.09 1.15 0.00 3.16 2.07 -1.41 -0.64 116.25 120.66 2yuf h VAL 95 Ca 0.01 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 2yuf h VAL 95 Cb 0.59 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2yuf h VAL 95 CO 0.04 0.23 -0.41 0.78 0.02 0.00 0.00 177.57 178.24 2yuf h ASN 96 N 0.00 0.00 -0.18 0.57 2.35 -1.56 -3.30 115.58 113.46 2yuf h ASN 96 Ca -0.00 -0.63 0.04 0.00 -0.55 0.00 0.00 56.30 55.15 2yuf h ASN 96 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2yuf h ASN 96 CO 0.03 1.05 0.13 -0.33 -1.65 0.00 0.00 177.43 176.66 2yuf h GLU 97 N -1.00 0.08 0.00 0.81 4.39 -1.39 0.45 114.58 117.92 2yuf h GLU 97 Ca -0.10 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 2yuf h GLU 97 Cb 0.91 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2yuf h GLU 97 CO -0.06 0.05 -0.33 0.00 -1.16 0.00 0.00 179.01 177.51 2yuf h ALA 98 N 1.90 1.44 0.00 3.43 0.00 -1.24 -2.99 119.26 121.81 2yuf h ALA 98 Ca 0.08 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.38 2yuf h ALA 98 Cb 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2yuf h ALA 98 CO -0.01 0.42 -2.17 0.00 0.00 0.00 0.00 179.25 177.49 2yuf n ALA 99 N -2.47 1.65 -0.10 0.00 0.00 -0.26 -4.01 120.51 115.31 2yuf n ALA 99 Ca -0.02 -1.11 0.05 0.00 0.00 0.00 0.00 53.44 52.36 2yuf n ALA 99 Cb 0.38 -0.40 0.39 0.00 0.00 0.00 0.00 19.45 19.81 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf h ALA 100 N 1.12 1.71 0.06 0.00 0.00 -0.10 0.13 119.26 122.18 2yuf h ALA 100 Ca -0.43 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 2yuf h ALA 100 Cb 2.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2yuf h ALA 100 CO 0.04 0.22 -1.07 1.96 0.00 0.00 0.00 179.25 180.40 2yuf h GLN 101 N 0.66 0.34 -0.03 0.00 4.20 -1.71 -3.16 115.11 115.41 2yuf h GLN 101 Ca 0.23 -0.44 -0.14 0.00 0.06 0.00 0.00 58.65 58.37 2yuf h GLN 101 Cb 0.11 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2yuf h GLN 101 CO -0.06 1.15 -0.61 -0.07 -0.67 0.00 0.00 178.83 178.56 2yuf h LEU 102 N 0.15 0.12 -1.03 1.46 3.38 -1.49 -3.00 115.31 114.90 2yuf h LEU 102 Ca -0.10 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2yuf h LEU 102 Cb 1.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2yuf h LEU 102 CO 0.18 0.70 -0.42 0.00 0.09 0.00 0.00 178.44 178.99 2yuf h VAL 104 N 0.11 0.00 -0.19 0.00 2.07 -1.49 -2.78 116.25 113.97 2yuf h VAL 104 Ca 0.01 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2yuf h VAL 104 Cb 0.79 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2yuf h VAL 104 CO 0.06 0.00 0.13 0.11 0.02 0.00 0.00 177.57 177.89 2yuf h LYS 105 N -0.99 0.23 -3.36 1.57 1.79 -1.60 -3.34 116.57 110.87 2yuf h LYS 105 Ca -0.07 -0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.78 2yuf h LYS 105 Cb 0.49 -0.05 -0.40 0.00 -1.58 0.00 0.00 32.23 30.69 2yuf h LYS 105 CO 0.11 0.15 -0.74 -0.51 -1.08 0.00 0.00 179.45 177.38 2yuf s ASP 106 N -6.87 3.91 0.46 0.86 1.01 -0.44 -4.96 116.67 110.62 2yuf s ASP 106 Ca -0.06 -2.25 0.14 0.00 0.71 0.00 0.00 52.55 51.09 2yuf s ASP 106 Cb 0.17 -1.05 1.03 0.00 1.01 0.00 0.00 42.92 44.09 2yuf s ASP 106 CO 0.70 -0.33 2.01 -1.13 0.21 0.00 0.00 175.17 176.63 2yuf h ASN 107 N 7.28 0.01 -0.14 0.27 -0.73 -1.63 -2.07 115.58 118.57 2yuf h ASN 107 Ca -0.06 -0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.15 2yuf h ASN 107 Cb 0.97 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 2yuf h ASN 107 CO 0.49 0.16 0.10 0.00 -0.37 0.00 0.00 177.43 177.81 2yuf h ALA 108 N 1.84 2.12 0.00 1.57 0.00 -1.93 -0.12 119.26 122.74 2yuf h ALA 108 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2yuf h ALA 108 Cb 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2yuf h ALA 108 CO 0.02 -0.18 -0.12 -0.07 0.00 0.00 0.00 179.25 178.91 2yuf h LEU 109 N 0.00 0.00 -1.43 0.00 3.38 -1.69 -2.61 115.31 112.97 2yuf h LEU 109 Ca 0.07 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.15 2yuf h LEU 109 Cb 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2yuf h LEU 109 CO -0.00 0.12 0.50 -0.07 0.09 0.00 0.00 178.44 179.08 2yuf h LEU 110 N 0.00 0.56 0.13 1.67 3.38 -1.15 -1.86 115.31 118.04 2yuf h LEU 110 Ca -0.00 0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 2yuf h LEU 110 Cb 0.33 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.01 2yuf h LEU 110 CO 0.02 0.33 -1.24 0.71 0.09 0.00 0.00 178.44 178.35 2yuf h THR 111 N 0.62 1.29 -2.41 0.22 1.35 -1.62 -3.42 112.91 108.94 2yuf h THR 111 Ca 0.36 -2.46 -0.53 0.00 -0.55 0.00 0.00 66.41 63.23 2yuf h THR 111 Cb 0.56 2.72 -0.06 0.00 -1.73 0.00 0.00 68.15 69.64 2yuf h THR 111 CO -0.13 0.75 1.15 -0.13 -0.25 0.00 0.00 175.52 176.91 2yuf s ARG 112 N -2.96 3.07 -0.03 4.72 0.52 -0.70 -4.84 118.95 118.74 2yuf s ARG 112 Ca -0.10 0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 55.17 2yuf s ARG 112 Cb 0.05 -4.22 -0.32 0.00 0.52 0.00 0.00 34.95 30.98 2yuf s ARG 112 CO 0.93 -2.24 0.82 0.00 0.02 0.00 0.00 175.30 174.83 2yuf h ARG 113 N 11.72 0.39 -0.54 3.54 3.08 -1.82 -2.64 114.38 128.11 2yuf h ARG 113 Ca -0.27 -0.66 -0.08 0.00 0.07 0.00 0.00 59.98 59.04 2yuf h ARG 113 Cb 1.09 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 2yuf h ARG 113 CO 1.23 1.32 0.02 -0.44 -1.07 0.00 0.00 179.97 181.03 2yuf h ASP 114 N -0.11 0.91 -0.03 7.04 5.19 -1.95 0.16 116.42 127.63 2yuf h ASP 114 Ca -0.25 -0.29 -0.01 0.00 -0.62 0.00 0.00 57.03 55.86 2yuf h ASP 114 Cb 1.92 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 41.18 2yuf h ASP 114 CO 0.18 0.98 -0.01 -0.08 -3.12 0.00 0.00 179.24 177.19 2yuf h GLU 115 N 0.81 0.07 -0.01 3.56 4.57 -1.95 -2.48 114.58 119.15 2yuf h GLU 115 Ca 0.16 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2yuf h GLU 115 Cb 0.50 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2yuf h GLU 115 CO 0.02 0.45 -0.30 1.25 -1.18 0.00 0.00 179.01 179.25 2yuf h LEU 116 N -0.32 0.02 -1.02 1.64 5.85 -1.45 -0.44 115.31 119.58 2yuf h LEU 116 Ca 0.01 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2yuf h LEU 116 Cb 0.43 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2yuf h LEU 116 CO 0.00 0.32 -0.47 0.15 -0.34 0.00 0.00 178.44 178.10 2yuf h PHE 117 N 0.01 0.05 0.11 1.25 3.57 -0.59 -1.97 116.94 119.37 2yuf h PHE 117 Ca -0.00 -0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.23 2yuf h PHE 117 Cb 0.55 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2yuf h PHE 117 CO 0.00 0.50 -1.29 0.00 -2.23 0.00 0.00 178.31 175.29 2yuf h ALA 118 N 1.50 0.14 -0.83 2.41 0.00 -0.95 -3.01 119.26 118.51 2yuf h ALA 118 Ca -0.00 -1.03 0.01 0.00 0.00 0.00 0.00 54.91 53.90 2yuf h ALA 118 Cb 0.84 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2yuf h ALA 118 CO 0.06 0.74 0.55 -0.07 0.00 0.00 0.00 179.25 180.54 2yuf h LEU 119 N -0.36 0.94 -0.08 0.00 3.38 -1.11 -1.08 115.31 117.01 2yuf h LEU 119 Ca -0.28 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2yuf h LEU 119 Cb 1.71 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2yuf h LEU 119 CO 0.06 0.67 -0.14 0.00 0.09 0.00 0.00 178.44 179.11 2yuf h ALA 120 N 1.49 0.12 0.00 1.53 0.00 -1.49 -3.12 119.26 117.79 2yuf h ALA 120 Ca 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2yuf h ALA 120 Cb -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2yuf h ALA 120 CO -0.07 0.02 -0.01 -0.09 0.00 0.00 0.00 179.25 179.09 2yuf h ARG 121 N -0.23 0.00 0.58 0.00 2.43 -1.35 -1.63 114.38 114.18 2yuf h ARG 121 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2yuf h ARG 121 Cb 0.72 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2yuf h ARG 121 CO 0.03 0.01 -0.38 1.96 -1.51 0.00 0.00 179.97 180.08 2yuf h GLN 122 N 0.00 -0.88 -0.06 0.20 4.20 -1.13 -2.08 115.11 115.35 2yuf h GLN 122 Ca -0.00 0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 2yuf h GLN 122 Cb 0.03 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2yuf h GLN 122 CO 0.00 -0.59 -0.50 0.82 -0.67 0.00 0.00 178.83 177.89 2yuf h ILE 123 N -0.92 1.35 -0.09 2.54 2.04 -1.57 -2.72 117.51 118.15 2yuf h ILE 123 Ca -0.07 -1.73 0.03 0.00 1.00 0.00 0.00 64.86 64.09 2yuf h ILE 123 Cb 0.76 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2yuf h ILE 123 CO 0.05 0.51 0.06 -1.28 0.00 0.00 0.00 178.15 177.49 2yuf h SER 124 N 0.11 0.00 0.27 1.72 0.87 -1.07 -0.62 113.55 114.83 2yuf h SER 124 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2yuf h SER 124 Cb 0.92 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2yuf h SER 124 CO 0.07 0.00 -1.75 -0.09 -0.53 0.00 0.00 176.83 174.54 2yuf h ARG 125 N 0.00 0.30 -0.59 2.24 2.43 -1.16 -3.24 114.38 114.36 2yuf h ARG 125 Ca 0.04 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 2yuf h ARG 125 Cb 0.17 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2yuf h ARG 125 CO -0.00 1.18 0.21 1.49 -1.51 0.00 0.00 179.97 181.34 2yuf h GLU 126 N 0.08 0.87 -0.21 0.20 4.81 -1.11 -0.56 114.58 118.66 2yuf h GLU 126 Ca -0.33 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 2yuf h GLU 126 Cb 2.06 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 2yuf h GLU 126 CO 0.15 0.74 -0.05 0.28 -0.73 0.00 0.00 179.01 179.39 2yuf h VAL 127 N 0.85 1.28 -0.50 0.32 2.07 -1.27 -2.54 116.25 116.47 2yuf h VAL 127 Ca 0.20 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 2yuf h VAL 127 Cb 0.21 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2yuf h VAL 127 CO -0.01 0.32 -0.00 0.74 0.02 0.00 0.00 177.57 178.63 2yuf h THR 128 N 0.13 1.25 0.69 2.57 2.02 -1.54 -3.18 112.91 114.86 2yuf h THR 128 Ca 0.05 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 2yuf h THR 128 Cb 0.50 0.87 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2yuf h THR 128 CO 0.02 0.36 -0.34 0.22 0.37 0.00 0.00 175.52 176.15 2yuf h TYR 129 N 0.77 -0.89 -2.57 3.16 3.20 -1.03 -3.33 116.97 116.29 2yuf h TYR 129 Ca 0.15 -0.02 -0.72 0.00 3.14 0.00 0.00 58.73 61.28 2yuf h TYR 129 Cb 0.47 0.30 -0.19 0.00 1.54 0.00 0.00 36.73 38.84 2yuf h TYR 129 CO 0.03 -0.55 0.89 0.21 -1.64 0.00 0.00 178.16 177.10 2yuf s LYS 130 N -6.05 3.80 0.37 1.82 2.47 -0.96 -4.99 119.74 116.19 2yuf s LYS 130 Ca -0.18 -2.20 0.08 0.00 -1.56 0.00 0.00 55.97 52.12 2yuf s LYS 130 Cb 0.03 -4.89 -0.07 0.00 -1.46 0.00 0.00 37.83 31.45 2yuf s LYS 130 CO 0.62 -1.68 -0.05 -0.47 0.16 0.00 0.00 175.35 173.93 2yuf s TYR 131 N 1.79 2.41 0.74 4.03 6.14 -1.25 -4.84 117.35 126.36 2yuf s TYR 131 Ca 0.34 -0.59 -0.15 0.00 0.64 0.00 0.00 57.07 57.31 2yuf s TYR 131 Cb -0.05 -1.52 0.04 0.00 0.42 0.00 0.00 41.96 40.86 2yuf s TYR 131 CO -0.06 0.49 1.22 0.99 0.64 0.00 0.00 175.55 178.83 2yuf s THR 132 N -2.70 2.20 -0.02 4.34 2.01 -1.26 -5.04 115.64 115.18 2yuf s THR 132 Ca 0.33 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2yuf s THR 132 Cb 0.06 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.89 2yuf s THR 132 CO 0.17 -0.05 0.01 -0.31 -0.69 0.00 0.00 174.62 173.75 2yuf s TYR 133 N -1.93 0.09 0.22 4.92 2.02 -1.26 -5.16 117.35 116.25 2yuf s TYR 133 Ca 0.75 0.06 0.10 0.00 -0.37 0.00 0.00 57.07 57.61 2yuf s TYR 133 Cb -0.30 -0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 2yuf s TYR 133 CO 0.46 -0.07 -0.19 0.50 -1.57 0.00 0.00 175.55 174.68 2yuf s ARG 134 N 0.72 1.47 0.36 -0.62 3.52 -1.26 -5.16 118.95 117.99 2yuf s ARG 134 Ca -0.06 -1.61 0.08 0.00 -0.13 0.00 0.00 55.73 54.01 2yuf s ARG 134 Cb -0.09 -1.51 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 2yuf s ARG 134 CO -0.02 0.29 0.29 0.95 -0.81 0.00 0.00 175.30 176.00 2yuf s THR 135 N -2.41 3.18 0.23 4.11 -4.23 -1.26 -5.12 115.64 110.14 2yuf s THR 135 Ca 0.23 -1.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.21 2yuf s THR 135 Cb -0.04 -3.10 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 2yuf s THR 135 CO 0.10 -0.12 0.58 0.42 -0.54 0.00 0.00 174.62 175.06 2yuf s THR 136 N -2.38 4.87 -0.12 3.99 -4.23 -1.26 -5.09 115.64 111.43 2yuf s THR 136 Ca 0.42 0.64 0.03 0.00 -1.18 0.00 0.00 61.69 61.61 2yuf s THR 136 Cb -0.04 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.16 2yuf s THR 136 CO 0.26 -0.02 -0.21 -0.44 -0.54 0.00 0.00 174.62 173.67 2yuf s SER 137 N -2.19 2.93 -0.16 3.99 0.01 -1.26 -4.87 113.70 112.15 2yuf s SER 137 Ca 0.46 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 57.14 2yuf s SER 137 Cb -0.12 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2yuf s SER 137 CO 0.20 0.10 0.19 0.61 0.41 0.00 0.00 173.24 174.75 2yuf n GLY 138 N 3.87 -0.82 3.68 3.44 0.00 -1.26 -5.04 105.19 109.07 2yuf n GLY 138 Ca -0.20 0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2yuf n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuf s PRO 139 N -1.84 0.52 1.26 1.61 0.04 -1.26 -5.04 135.00 130.29 2yuf s PRO 139 Ca 0.06 0.54 -0.20 0.00 0.04 0.00 0.00 61.00 61.45 2yuf s PRO 139 Cb -0.02 -1.75 0.31 0.00 0.04 0.00 0.00 34.50 33.08 2yuf s PRO 139 CO 0.24 -2.68 1.05 -1.12 0.04 0.00 0.00 177.00 174.53 2yuf s SER 140 N -3.47 0.41 -0.13 6.66 0.01 -1.26 -5.05 113.70 110.87 2yuf s SER 140 Ca 0.65 0.76 -0.01 0.00 1.31 0.00 0.00 55.95 58.66 2yuf s SER 140 Cb -0.18 -1.08 0.04 0.00 0.21 0.00 0.00 66.02 65.00 2yuf s SER 140 CO 0.57 -4.45 -0.04 -0.94 0.41 0.00 0.00 173.24 168.80 2yuf s SER 141 N -3.59 2.40 0.00 2.44 1.04 -1.26 -5.29 113.70 109.44 2yuf s SER 141 Ca 0.70 -0.46 0.18 0.00 0.48 0.00 0.00 55.95 56.85 2yuf s SER 141 Cb -0.12 -0.77 0.14 0.00 0.10 0.00 0.00 66.02 65.38 2yuf s SER 141 CO 0.57 -0.18 1.07 0.61 0.98 0.00 0.00 173.24 176.29