#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf n SER 2 N 0.00 -8.33 -4.90 1.61 7.64 -1.26 -4.90 113.62 103.48 2yuf n SER 2 Ca 0.00 1.27 -0.29 0.00 1.01 0.00 0.00 58.87 60.86 2yuf n SER 2 Cb 0.00 -4.88 0.08 0.00 -1.01 0.00 0.00 64.21 58.40 2yuf n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuf s SER 3 N -7.28 4.79 0.00 6.43 1.04 -1.26 -5.01 113.70 112.41 2yuf s SER 3 Ca 0.00 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2yuf s SER 3 Cb 0.00 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2yuf s SER 3 CO 0.00 -1.71 0.00 0.61 0.98 0.00 0.00 173.24 173.12 2yuf n GLY 4 N -3.17 2.76 3.49 7.32 0.00 -1.26 -5.14 105.19 109.19 2yuf n GLY 4 Ca 0.08 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 2yuf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuf s SER 5 N 0.00 2.71 -0.32 1.61 0.15 -1.26 -5.12 113.70 111.47 2yuf s SER 5 Ca 0.00 -1.71 -0.07 0.00 0.70 0.00 0.00 55.95 54.87 2yuf s SER 5 Cb 0.00 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2yuf s SER 5 CO 0.00 -0.98 0.10 -0.94 1.20 0.00 0.00 173.24 172.62 2yuf s SER 6 N -3.59 5.25 0.47 5.45 1.04 -1.26 -5.10 113.70 115.96 2yuf s SER 6 Ca 0.25 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2yuf s SER 6 Cb 0.02 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2yuf s SER 6 CO 0.16 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2yuf n GLY 7 N 4.84 -2.01 3.59 7.32 0.00 -1.26 -4.84 105.19 112.83 2yuf n GLY 7 Ca -0.13 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.42 2.86 0.30 1.61 2.02 -1.26 -4.89 118.70 117.93 2yuf s GLU 8 Ca 0.00 1.84 -0.18 0.00 0.02 0.00 0.00 54.97 56.64 2yuf s GLU 8 Cb 0.00 -4.42 0.03 0.00 0.10 0.00 0.00 34.13 29.83 2yuf s GLU 8 CO 0.00 -2.41 0.70 0.00 0.02 0.00 0.00 175.26 173.57 2yuf s ALA 9 N 9.30 -0.93 1.13 5.21 0.00 -1.26 -5.06 121.76 130.14 2yuf s ALA 9 Ca 0.99 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 2yuf s ALA 9 Cb -0.28 0.84 0.20 0.00 0.00 0.00 0.00 23.12 23.88 2yuf s ALA 9 CO 0.33 -1.00 0.81 1.28 0.00 0.00 0.00 175.76 177.17 2yuf n LEU 10 N -0.47 0.00 -5.01 0.00 4.77 -1.26 -5.07 117.00 109.95 2yuf n LEU 10 Ca -0.05 -0.86 -0.20 0.00 -0.03 0.00 0.00 56.01 54.87 2yuf n LEU 10 Cb 0.60 -0.70 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2yuf n LEU 10 CO 0.19 -1.63 0.28 -0.62 -1.33 0.00 0.00 177.39 174.27 2yuf s ASP 11 N -3.79 5.12 0.26 -1.43 -1.08 -1.26 -4.90 116.67 109.59 2yuf s ASP 11 Ca 0.50 -0.84 -0.04 0.00 -0.52 0.00 0.00 52.55 51.66 2yuf s ASP 11 Cb -0.04 0.17 0.31 0.00 -1.46 0.00 0.00 42.92 41.90 2yuf s ASP 11 CO 0.38 -1.22 1.84 0.00 0.52 0.00 0.00 175.17 176.68 2yuf h ALA 12 N 0.33 1.19 -0.16 3.66 0.00 -1.98 0.69 119.26 122.97 2yuf h ALA 12 Ca -0.32 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2yuf h ALA 12 Cb 1.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2yuf h ALA 12 CO 0.44 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 179.99 2yuf h ALA 13 N 1.30 0.26 -0.41 0.00 0.00 -2.00 -2.78 119.26 115.63 2yuf h ALA 13 Ca 0.24 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2yuf h ALA 13 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2yuf h ALA 13 CO -0.02 0.27 0.09 0.00 0.00 0.00 0.00 179.25 179.59 2yuf h ALA 14 N 0.57 0.55 -0.16 0.00 0.00 -1.91 -2.61 119.26 115.70 2yuf h ALA 14 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2yuf h ALA 14 Cb 0.88 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2yuf h ALA 14 CO 0.07 0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.66 2yuf h ALA 15 N 0.95 1.90 -0.32 0.00 0.00 -0.91 -1.96 119.26 118.92 2yuf h ALA 15 Ca 0.13 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2yuf h ALA 15 Cb 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yuf h ALA 15 CO 0.00 0.09 -0.50 -0.07 0.00 0.00 0.00 179.25 178.77 2yuf h LEU 16 N 0.20 1.00 -1.14 0.00 3.38 -1.18 -2.01 115.31 115.57 2yuf h LEU 16 Ca 0.06 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2yuf h LEU 16 Cb -0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 2yuf h LEU 16 CO -0.01 1.32 0.55 -1.28 0.09 0.00 0.00 178.44 179.11 2yuf h SER 17 N 0.71 0.99 -0.13 -0.43 0.87 -1.01 -1.58 113.55 112.97 2yuf h SER 17 Ca 0.03 -0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 2yuf h SER 17 Cb 1.10 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.82 2yuf h SER 17 CO 0.11 0.73 -0.65 0.58 -0.53 0.00 0.00 176.83 177.08 2yuf h VAL 18 N 1.16 1.32 -0.09 2.23 2.07 -1.43 -2.31 116.25 119.20 2yuf h VAL 18 Ca 0.31 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 2yuf h VAL 18 Cb -0.11 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2yuf h VAL 18 CO -0.07 0.59 0.01 0.00 0.02 0.00 0.00 177.57 178.13 2yuf h ALA 19 N 0.51 1.86 0.09 1.67 0.00 -1.02 -0.78 119.26 121.59 2yuf h ALA 19 Ca -0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2yuf h ALA 19 Cb 1.29 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.05 2yuf h ALA 19 CO 0.13 0.12 -0.70 0.93 0.00 0.00 0.00 179.25 179.73 2yuf h GLU 20 N 0.12 0.32 -0.36 0.00 5.08 -1.26 -3.13 114.58 115.34 2yuf h GLU 20 Ca 0.03 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2yuf h GLU 20 Cb 0.07 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2yuf h GLU 20 CO -0.00 1.18 0.23 0.00 -1.00 0.00 0.00 179.01 179.42 2yuf h VAL 22 N 0.48 0.98 0.00 0.00 3.04 -1.27 -0.26 116.25 119.22 2yuf h VAL 22 Ca 0.13 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.72 2yuf h VAL 22 Cb -0.03 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 2yuf h VAL 22 CO -0.03 0.00 -0.52 -0.33 -1.01 0.00 0.00 177.57 175.69 2yuf h GLU 23 N 0.00 0.00 0.00 4.17 5.08 -1.31 -2.26 114.58 120.26 2yuf h GLU 23 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 2yuf h GLU 23 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2yuf h GLU 23 CO -0.00 0.44 -1.24 0.00 -1.00 0.00 0.00 179.01 177.21 2yuf h ARG 24 N 0.00 0.00 0.00 2.33 3.08 0.02 -3.32 114.38 116.49 2yuf h ARG 24 Ca -0.01 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2yuf h ARG 24 Cb 1.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.40 2yuf h ARG 24 CO 0.06 0.84 -0.97 0.00 -1.07 0.00 0.00 179.97 178.82 2yuf h MET 25 N 0.00 0.00 -0.02 0.04 -0.00 -1.17 -3.37 114.93 110.41 2yuf h MET 25 Ca -0.10 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.63 2yuf h MET 25 Cb 1.85 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 33.41 2yuf h MET 25 CO 0.11 0.22 -0.21 0.00 -0.00 0.00 0.00 176.91 177.03 2yuf h ALA 26 N 1.66 -0.26 -0.62 -3.00 0.00 -1.50 0.43 119.26 115.98 2yuf h ALA 26 Ca -0.07 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2yuf h ALA 26 Cb 1.32 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 2yuf h ALA 26 CO 0.03 -0.70 0.12 -1.35 0.00 0.00 0.00 179.25 177.35 2yuf h PRO 27 N -0.33 0.24 -0.04 0.00 0.11 -1.73 -1.03 132.00 129.22 2yuf h PRO 27 Ca 0.07 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.00 2yuf h PRO 27 Cb 0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2yuf h PRO 27 CO -0.21 0.16 -0.70 1.79 -0.21 0.00 0.00 178.00 178.84 2yuf h THR 28 N 0.25 1.42 -2.83 -1.15 1.35 -1.67 -3.44 112.91 106.85 2yuf h THR 28 Ca 0.33 -2.20 -0.54 0.00 -0.55 0.00 0.00 66.41 63.45 2yuf h THR 28 Cb 0.50 2.16 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2yuf h THR 28 CO -0.43 0.65 0.90 -0.76 -0.25 0.00 0.00 175.52 175.63 2yuf s LEU 29 N -7.75 4.32 0.89 3.87 1.43 0.15 -4.98 118.68 116.61 2yuf s LEU 29 Ca -0.04 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 2yuf s LEU 29 Cb 0.11 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.82 2yuf s LEU 29 CO 0.81 -0.78 0.59 -2.65 0.23 0.00 0.00 176.35 174.55 2yuf n PRO 30 N 5.76 -0.16 -4.07 1.29 -0.02 -1.26 -4.87 135.00 131.66 2yuf n PRO 30 Ca 0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 2yuf n PRO 30 Cb 0.43 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 2yuf n PRO 30 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2yuf s LYS 31 N -3.65 2.96 0.20 -0.52 2.47 -1.26 -5.10 119.74 114.85 2yuf s LYS 31 Ca 0.61 -0.87 0.09 0.00 -1.56 0.00 0.00 55.97 54.24 2yuf s LYS 31 Cb -0.24 -2.67 -0.04 0.00 -1.46 0.00 0.00 37.83 33.41 2yuf s LYS 31 CO 0.63 0.47 -0.18 0.45 0.16 0.00 0.00 175.35 176.88 2yuf s SER 32 N -3.24 2.92 -0.12 1.43 0.15 -1.26 -5.13 113.70 108.45 2yuf s SER 32 Ca 0.32 -0.94 -0.16 0.00 0.70 0.00 0.00 55.95 55.87 2yuf s SER 32 Cb -0.10 -0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 2yuf s SER 32 CO 0.24 -0.04 0.38 -0.62 1.20 0.00 0.00 173.24 174.41 2yuf s ASP 33 N -3.01 6.59 0.38 5.45 2.15 -1.26 -4.97 116.67 122.00 2yuf s ASP 33 Ca 0.21 0.70 0.10 0.00 0.43 0.00 0.00 52.55 53.98 2yuf s ASP 33 Cb -0.04 -2.23 0.75 0.00 -0.30 0.00 0.00 42.92 41.09 2yuf s ASP 33 CO 0.09 0.09 1.88 -0.07 -0.17 0.00 0.00 175.17 176.99 2yuf h LEU 34 N 6.40 0.18 -1.07 -1.34 3.38 -2.00 -2.36 115.31 118.51 2yuf h LEU 34 Ca -0.43 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 2yuf h LEU 34 Cb 1.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2yuf h LEU 34 CO 0.73 0.40 -0.40 -1.13 0.09 0.00 0.00 178.44 178.13 2yuf h ASN 35 N 0.18 0.13 -0.43 -0.43 -1.24 -1.98 0.96 115.58 112.76 2yuf h ASN 35 Ca 0.03 -0.05 -0.08 0.00 0.71 0.00 0.00 56.30 56.91 2yuf h ASN 35 Cb 0.46 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2yuf h ASN 35 CO 0.03 0.52 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.31 2yuf h GLU 36 N 0.11 0.80 0.00 6.67 4.39 -1.84 -2.89 114.58 121.81 2yuf h GLU 36 Ca 0.01 -0.28 -0.19 0.00 0.34 0.00 0.00 59.36 59.24 2yuf h GLU 36 Cb 0.76 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2yuf h GLU 36 CO 0.06 0.89 -0.97 -0.39 -1.16 0.00 0.00 179.01 177.44 2yuf h VAL 37 N 0.63 1.43 -0.02 3.13 -1.51 -1.44 -3.33 116.25 115.13 2yuf h VAL 37 Ca 0.12 -3.07 0.02 0.00 -1.23 0.00 0.00 66.70 62.53 2yuf h VAL 37 Cb 0.56 2.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.41 2yuf h VAL 37 CO 0.03 0.81 -0.07 0.11 -1.23 0.00 0.00 177.57 177.23 2yuf h LYS 38 N 0.00 -0.10 -0.29 5.19 1.57 -0.73 -1.67 116.57 120.55 2yuf h LYS 38 Ca -0.04 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2yuf h LYS 38 Cb 1.70 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 2yuf h LYS 38 CO 0.11 -0.07 0.21 0.93 -0.57 0.00 0.00 179.45 180.06 2yuf h GLU 39 N -0.10 0.01 -0.26 3.15 5.08 -1.63 -0.59 114.58 120.23 2yuf h GLU 39 Ca 0.04 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 2yuf h GLU 39 Cb 0.15 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2yuf h GLU 39 CO -0.09 0.00 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.46 2yuf h LEU 40 N 0.01 0.64 -0.81 1.33 3.38 -1.43 -3.02 115.31 115.41 2yuf h LEU 40 Ca 0.14 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2yuf h LEU 40 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2yuf h LEU 40 CO -0.00 0.97 0.00 -0.07 0.09 0.00 0.00 178.44 179.43 2yuf h LEU 41 N 0.50 0.87 -1.67 1.67 3.38 -0.64 0.56 115.31 119.98 2yuf h LEU 41 Ca 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2yuf h LEU 41 Cb 0.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2yuf h LEU 41 CO 0.08 0.93 -0.19 0.11 0.09 0.00 0.00 178.44 179.45 2yuf h LYS 42 N 0.83 0.00 0.03 1.13 6.56 -1.38 -2.95 116.57 120.79 2yuf h LYS 42 Ca 0.16 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.40 2yuf h LYS 42 Cb 0.49 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.10 2yuf h LYS 42 CO 0.02 0.19 -2.06 0.25 -2.06 0.00 0.00 179.45 175.80 2yuf n THR 43 N -3.99 1.57 -1.96 -0.16 -2.24 -0.93 -4.96 114.28 101.61 2yuf n THR 43 Ca -0.02 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.72 2yuf n THR 43 Cb 0.28 -1.09 0.16 0.00 -2.10 0.00 0.00 70.33 67.57 2yuf n THR 43 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2yuf s ASN 44 N -6.20 3.51 0.15 3.42 -0.87 0.19 -5.05 114.94 110.10 2yuf s ASN 44 Ca -0.14 0.36 0.00 0.00 -1.57 0.00 0.00 52.86 51.51 2yuf s ASN 44 Cb 0.07 -0.53 0.00 0.00 -0.02 0.00 0.00 41.25 40.77 2yuf s ASN 44 CO 0.78 -2.49 0.00 0.29 -2.57 0.00 0.00 177.10 173.11 2yuf n LYS 45 N -3.61 0.00 -0.08 -0.60 5.02 -1.26 -4.64 118.16 112.99 2yuf n LYS 45 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 2yuf n LYS 45 Cb 0.60 -0.09 -0.02 0.00 -0.02 0.00 0.00 35.03 35.50 2yuf n LYS 45 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2yuf h LYS 46 N 0.00 0.37 -0.17 1.97 3.11 -1.96 0.84 116.57 120.72 2yuf h LYS 46 Ca 0.00 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.68 2yuf h LYS 46 Cb 0.08 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2yuf h LYS 46 CO 0.00 0.25 -0.48 -0.07 -2.81 0.00 0.00 179.45 176.34 2yuf h LEU 47 N 0.37 0.48 -1.15 5.20 3.38 -1.96 -0.68 115.31 120.95 2yuf h LEU 47 Ca 0.10 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2yuf h LEU 47 Cb -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2yuf h LEU 47 CO -0.02 0.88 -0.34 0.00 0.09 0.00 0.00 178.44 179.05 2yuf h ALA 48 N 1.13 1.11 0.00 1.53 0.00 -1.74 -0.93 119.26 120.37 2yuf h ALA 48 Ca 0.02 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 2yuf h ALA 48 Cb 0.97 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2yuf h ALA 48 CO 0.08 0.43 -1.50 0.87 0.00 0.00 0.00 179.25 179.13 2yuf h LYS 49 N 0.00 0.00 0.00 0.00 1.57 -0.62 -2.76 116.57 114.76 2yuf h LYS 49 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2yuf h LYS 49 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2yuf h LYS 49 CO 0.04 0.43 -0.01 1.98 -0.57 0.00 0.00 179.45 181.32 2yuf h MET 50 N 0.00 0.00 -0.53 3.15 4.05 -0.98 -3.42 114.93 117.20 2yuf h MET 50 Ca -0.21 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 58.82 2yuf h MET 50 Cb 1.80 0.00 -0.34 0.00 -0.80 0.00 0.00 31.60 32.26 2yuf h MET 50 CO 0.07 0.00 -0.79 0.44 0.23 0.00 0.00 176.91 176.85 2yuf n ILE 51 N -2.81 2.23 -0.04 1.77 -5.35 -0.43 -4.74 119.36 110.00 2yuf n ILE 51 Ca -0.00 -3.76 -0.14 0.00 -0.27 0.00 0.00 62.75 58.58 2yuf n ILE 51 Cb 0.01 -0.61 -0.14 0.00 -1.74 0.00 0.00 39.64 37.16 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 -0.74 -0.77 0.15 3.28 0.00 -0.77 -4.02 105.19 102.32 2yuf n GLY 52 Ca 0.33 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.02 0.00 -0.24 1.61 2.07 -1.85 -3.07 115.15 113.70 2yuf h HIS 53 Ca -0.41 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.00 2yuf h HIS 53 Cb 2.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.01 2yuf h HIS 53 CO 0.03 0.55 -0.29 0.82 -3.07 0.00 0.00 177.93 175.97 2yuf h ILE 54 N 0.00 1.28 -0.14 6.12 2.04 -1.90 -2.73 117.51 122.18 2yuf h ILE 54 Ca -0.01 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 2yuf h ILE 54 Cb 1.05 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2yuf h ILE 54 CO 0.07 0.42 -0.01 -0.26 0.00 0.00 0.00 178.15 178.37 2yuf h PHE 55 N 0.42 0.19 -0.02 1.37 0.04 -1.67 -1.91 116.94 115.36 2yuf h PHE 55 Ca 0.06 -0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.65 2yuf h PHE 55 Cb 0.72 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2yuf h PHE 55 CO 0.02 0.22 -0.73 0.93 -0.60 0.00 0.00 178.31 178.15 2yuf h GLU 56 N 0.19 0.16 -7.32 1.51 5.08 -1.56 -3.45 114.58 109.19 2yuf h GLU 56 Ca 0.05 -0.14 -0.49 0.00 -1.00 0.00 0.00 59.36 57.78 2yuf h GLU 56 Cb 0.16 0.03 0.15 0.00 0.50 0.00 0.00 28.75 29.59 2yuf h GLU 56 CO 0.00 0.82 0.25 1.41 -1.00 0.00 0.00 179.01 180.49 2yuf s MET 57 N -3.46 1.28 0.83 2.33 1.75 -0.72 -5.03 119.30 116.27 2yuf s MET 57 Ca -0.03 0.92 -0.12 0.00 -1.25 0.00 0.00 55.69 55.21 2yuf s MET 57 Cb 0.11 -1.80 0.09 0.00 2.84 0.00 0.00 34.83 36.07 2yuf s MET 57 CO 0.80 -2.25 1.16 -0.80 -0.65 0.00 0.00 175.02 173.28 2yuf s ASN 58 N -3.33 4.33 -0.45 1.11 0.01 -1.26 -4.98 114.94 110.37 2yuf s ASN 58 Ca 0.64 0.87 0.04 0.00 -0.71 0.00 0.00 52.86 53.70 2yuf s ASN 58 Cb -0.18 -1.42 0.59 0.00 0.41 0.00 0.00 41.25 40.65 2yuf s ASN 58 CO 0.57 -2.03 1.81 0.47 -1.51 0.00 0.00 177.10 176.41 2yuf n ASP 59 N -3.41 4.17 -1.68 -1.22 9.92 -1.26 -4.31 116.55 118.76 2yuf n ASP 59 Ca 0.07 -3.69 -0.02 0.00 -0.53 0.00 0.00 54.79 50.62 2yuf n ASP 59 Cb 0.60 -0.80 0.01 0.00 -0.64 0.00 0.00 41.12 40.29 2yuf n ASP 59 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2yuf n ASP 60 N -1.09 -0.31 -4.44 -2.24 5.75 -1.26 -5.11 116.55 107.85 2yuf n ASP 60 Ca 0.54 -2.05 -0.33 0.00 -0.01 0.00 0.00 54.79 52.94 2yuf n ASP 60 Cb 1.33 0.14 -0.14 0.00 -1.03 0.00 0.00 41.12 41.43 2yuf n ASP 60 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2yuf s ASP 61 N -1.60 3.93 0.56 -1.12 1.11 -1.26 -5.01 116.67 113.29 2yuf s ASP 61 Ca 0.13 -0.25 0.27 0.00 0.18 0.00 0.00 52.55 52.88 2yuf s ASP 61 Cb 0.22 -0.99 1.49 0.00 1.07 0.00 0.00 42.92 44.71 2yuf s ASP 61 CO -0.07 0.30 2.01 -0.65 1.18 0.00 0.00 175.17 177.94 2yuf h PRO 62 N 5.68 0.00 -0.18 8.23 0.11 -1.99 -0.05 132.00 143.80 2yuf h PRO 62 Ca -0.41 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 2yuf h PRO 62 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2yuf h PRO 62 CO 0.51 0.00 -0.08 0.45 -0.21 0.00 0.00 178.00 178.67 2yuf h HIS 63 N 0.00 0.28 -0.82 0.65 3.86 -1.98 -2.64 115.15 114.50 2yuf h HIS 63 Ca 0.19 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 2yuf h HIS 63 Cb 0.87 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 2yuf h HIS 63 CO 0.00 0.35 0.53 0.87 0.86 0.00 0.00 177.93 180.54 2yuf h LYS 64 N 0.26 1.01 -0.07 2.45 1.57 -1.34 0.11 116.57 120.55 2yuf h LYS 64 Ca 0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2yuf h LYS 64 Cb 0.31 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2yuf h LYS 64 CO 0.02 0.67 0.02 0.93 -0.57 0.00 0.00 179.45 180.51 2yuf h GLU 65 N 1.04 0.10 0.01 3.15 5.08 -1.58 0.33 114.58 122.71 2yuf h GLU 65 Ca 0.32 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.41 2yuf h GLU 65 Cb -0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2yuf h GLU 65 CO -0.10 0.10 -1.40 0.93 -1.00 0.00 0.00 179.01 177.53 2yuf h GLU 66 N 0.10 0.01 0.02 2.33 5.08 -1.28 -3.04 114.58 117.79 2yuf h GLU 66 Ca 0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2yuf h GLU 66 Cb 0.04 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2yuf h GLU 66 CO -0.00 0.74 -0.26 0.93 -1.00 0.00 0.00 179.01 179.42 2yuf h GLU 67 N 0.00 0.15 -0.47 2.33 5.08 -0.09 -2.70 114.58 118.88 2yuf h GLU 67 Ca -0.17 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 2yuf h GLU 67 Cb 1.91 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 2yuf h GLU 67 CO 0.10 0.97 0.20 0.82 -1.00 0.00 0.00 179.01 180.11 2yuf h ILE 68 N -0.60 1.20 0.00 3.13 2.04 -0.53 -2.17 117.51 120.58 2yuf h ILE 68 Ca -0.04 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 2yuf h ILE 68 Cb 1.07 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2yuf h ILE 68 CO 0.05 0.23 -0.24 0.03 0.00 0.00 0.00 178.15 178.21 2yuf h ARG 69 N 0.62 0.00 -0.07 2.37 3.08 -1.65 0.87 114.38 119.60 2yuf h ARG 69 Ca 0.16 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 2yuf h ARG 69 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2yuf h ARG 69 CO -0.02 0.24 -0.65 -0.22 -1.07 0.00 0.00 179.97 178.26 2yuf h LYS 70 N 0.00 0.29 0.01 0.04 3.11 -1.10 -3.27 116.57 115.65 2yuf h LYS 70 Ca -0.00 -0.21 -0.32 0.00 -2.81 0.00 0.00 60.65 57.31 2yuf h LYS 70 Cb 0.44 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.66 2yuf h LYS 70 CO 0.03 0.84 -1.91 0.66 -2.81 0.00 0.00 179.45 176.25 2yuf n TYR 71 N -3.85 0.77 -2.23 1.91 4.01 -0.86 -4.64 117.16 112.27 2yuf n TYR 71 Ca -0.03 0.26 -0.38 0.00 -0.16 0.00 0.00 57.90 57.59 2yuf n TYR 71 Cb 0.65 -1.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.52 2yuf n TYR 71 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2yuf n SER 72 N -3.03 4.05 -3.30 7.72 7.64 0.30 -4.75 113.62 122.25 2yuf n SER 72 Ca -0.23 -2.82 -0.10 0.00 1.01 0.00 0.00 58.87 56.73 2yuf n SER 72 Cb 1.07 -1.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.53 2yuf n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuf s ALA 73 N 6.51 -1.14 0.07 -0.43 0.00 -1.26 -4.67 121.76 120.84 2yuf s ALA 73 Ca 0.58 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 2yuf s ALA 73 Cb 0.04 -2.28 -0.28 0.00 0.00 0.00 0.00 23.12 20.59 2yuf s ALA 73 CO 0.09 -2.13 1.13 0.82 0.00 0.00 0.00 175.76 175.66 2yuf h ILE 74 N 5.14 1.48 -2.92 0.00 2.04 -1.87 -3.45 117.51 117.94 2yuf h ILE 74 Ca 0.04 -3.06 -0.65 0.00 1.00 0.00 0.00 64.86 62.19 2yuf h ILE 74 Cb 1.10 2.94 -0.08 0.00 -0.74 0.00 0.00 36.82 40.04 2yuf h ILE 74 CO 0.17 0.89 -0.53 -0.31 0.00 0.00 0.00 178.15 178.38 2yuf s TYR 75 N -2.65 3.44 0.00 1.37 1.51 -1.26 -4.92 117.35 114.84 2yuf s TYR 75 Ca -0.04 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.33 2yuf s TYR 75 Cb 0.07 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2yuf s TYR 75 CO 0.88 0.62 0.00 0.41 -1.11 0.00 0.00 175.55 176.35 2yuf n GLY 76 N 1.21 2.47 3.65 0.71 0.00 -1.26 -4.87 105.19 107.10 2yuf n GLY 76 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 6.57 0.68 -1.05 1.61 0.63 -1.26 -5.04 116.66 118.80 2yuf n ARG 77 Ca 0.00 -1.51 -0.14 0.00 -0.92 0.00 0.00 57.85 55.28 2yuf n ARG 77 Cb 0.00 2.01 0.18 0.00 0.45 0.00 0.00 32.46 35.10 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 -0.67 1.98 -3.16 -0.14 -1.74 -1.26 -4.87 117.46 107.61 2yuf n PHE 78 Ca -0.03 -1.83 0.04 0.00 -0.56 0.00 0.00 57.45 55.07 2yuf n PHE 78 Cb 0.56 -0.71 -0.01 0.00 1.52 0.00 0.00 39.48 40.84 2yuf n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2yuf s ASP 79 N -2.14 -1.14 -0.89 5.98 1.11 -1.26 -5.04 116.67 113.29 2yuf s ASP 79 Ca 0.51 0.73 0.00 0.00 0.18 0.00 0.00 52.55 53.97 2yuf s ASP 79 Cb 0.44 1.96 0.29 0.00 1.07 0.00 0.00 42.92 46.68 2yuf s ASP 79 CO 0.03 -0.21 1.19 -1.20 1.18 0.00 0.00 175.17 176.16 2yuf n SER 80 N 5.44 5.37 -0.02 0.27 7.64 -1.26 -4.65 113.62 126.40 2yuf n SER 80 Ca -0.03 -3.45 -0.03 0.00 1.01 0.00 0.00 58.87 56.37 2yuf n SER 80 Cb 0.52 -1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 2yuf n SER 80 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2yuf n LYS 81 N 1.00 0.96 -4.98 1.43 5.02 -1.26 -5.03 118.16 115.30 2yuf n LYS 81 Ca 0.29 0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 56.28 2yuf n LYS 81 Cb 0.36 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 34.13 2yuf n LYS 81 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2yuf s ARG 82 N -2.10 2.24 -0.25 1.97 1.81 -1.26 -4.90 118.95 116.45 2yuf s ARG 82 Ca -0.06 -0.86 -0.07 0.00 -1.72 0.00 0.00 55.73 53.03 2yuf s ARG 82 Cb 0.02 -2.20 0.03 0.00 -0.45 0.00 0.00 34.95 32.34 2yuf s ARG 82 CO 0.13 0.58 0.13 1.17 -0.68 0.00 0.00 175.30 176.63 2yuf n LYS 83 N 2.15 -4.11 -3.98 3.54 4.81 -1.26 -5.01 118.16 114.31 2yuf n LYS 83 Ca -0.17 3.17 -0.31 0.00 -0.87 0.00 0.00 58.31 60.13 2yuf n LYS 83 Cb 0.52 -5.26 -0.15 0.00 0.02 0.00 0.00 35.03 30.16 2yuf n LYS 83 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2yuf s ASP 84 N -1.14 4.38 0.00 3.14 1.11 -1.26 -4.92 116.67 117.98 2yuf s ASP 84 Ca -0.15 -1.67 0.09 0.00 0.18 0.00 0.00 52.55 51.00 2yuf s ASP 84 Cb 0.01 -1.41 0.15 0.00 1.07 0.00 0.00 42.92 42.74 2yuf s ASP 84 CO 0.80 -0.30 1.05 0.61 1.18 0.00 0.00 175.17 178.51 2yuf n GLY 85 N 4.47 0.69 1.40 0.21 0.00 -1.26 -5.14 105.19 105.56 2yuf n GLY 85 Ca -0.05 -0.30 0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 0.18 -3.05 0.00 1.61 4.81 -1.26 -5.03 118.16 115.42 2yuf n LYS 86 Ca 0.02 2.39 0.00 0.00 -0.87 0.00 0.00 58.31 59.85 2yuf n LYS 86 Cb 0.86 -3.64 0.00 0.00 0.02 0.00 0.00 35.03 32.27 2yuf n LYS 86 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2yuf n HIS 87 N -4.23 -1.56 -0.89 5.64 1.44 -1.26 -5.15 115.22 109.22 2yuf n HIS 87 Ca -0.06 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.35 2yuf n HIS 87 Cb 0.66 0.31 0.24 0.00 0.12 0.00 0.00 29.99 31.32 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2yuf s LEU 88 N -4.40 0.46 0.00 2.39 1.43 -1.26 -5.01 118.68 112.29 2yuf s LEU 88 Ca 0.00 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2yuf s LEU 88 Cb 0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2yuf s LEU 88 CO 0.00 -4.25 0.00 1.07 0.23 0.00 0.00 176.35 173.40 2yuf n THR 89 N -4.88 0.00 0.02 5.49 5.66 -1.26 -5.05 114.28 114.27 2yuf n THR 89 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2yuf n THR 89 Cb 0.59 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 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 -2.39 -0.41 0.10 1.09 0.00 -1.26 -4.95 117.00 109.18 2yuf n LEU 90 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 56.01 56.15 2yuf n LEU 90 Cb 0.00 0.61 -0.08 0.00 0.00 0.00 0.00 43.42 43.95 2yuf n LEU 90 CO 0.00 -0.02 0.72 -0.74 0.00 0.00 0.00 177.39 177.35 2yuf h HIS 91 N 0.00 -0.20 -0.09 1.96 2.76 -1.98 -2.76 115.15 114.85 2yuf h HIS 91 Ca 0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2yuf h HIS 91 Cb 0.00 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 2yuf h HIS 91 CO 0.00 0.02 0.05 0.93 -1.30 0.00 0.00 177.93 177.63 2yuf h GLU 92 N -0.39 0.12 -0.06 5.26 5.08 -1.98 -1.07 114.58 121.55 2yuf h GLU 92 Ca -0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2yuf h GLU 92 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2yuf h GLU 92 CO 0.04 0.09 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.84 2yuf h LEU 93 N 0.12 0.09 0.17 1.33 3.38 -1.86 -2.21 115.31 116.32 2yuf h LEU 93 Ca 0.03 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.67 2yuf h LEU 93 Cb 0.00 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.76 2yuf h LEU 93 CO -0.01 0.32 -1.34 0.74 0.09 0.00 0.00 178.44 178.24 2yuf h THR 94 N 0.09 1.32 0.00 0.22 2.02 -0.97 -3.00 112.91 112.58 2yuf h THR 94 Ca 0.01 -2.65 -0.05 0.00 0.77 0.00 0.00 66.41 64.50 2yuf h THR 94 Cb 0.44 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 2yuf h THR 94 CO 0.03 0.80 -0.22 0.58 0.37 0.00 0.00 175.52 177.08 2yuf h VAL 95 N 0.19 0.93 0.01 3.16 2.07 -1.21 0.88 116.25 122.28 2yuf h VAL 95 Ca -0.21 -0.80 -0.22 0.00 0.82 0.00 0.00 66.70 66.29 2yuf h VAL 95 Cb 2.03 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 2yuf h VAL 95 CO 0.25 0.21 -1.05 -1.13 0.02 0.00 0.00 177.57 175.87 2yuf h ASN 96 N 0.00 0.03 0.44 0.57 -0.73 -1.45 -3.28 115.58 111.15 2yuf h ASN 96 Ca -0.00 -0.03 -0.28 0.00 1.87 0.00 0.00 56.30 57.85 2yuf h ASN 96 Cb 0.44 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.97 2yuf h ASN 96 CO 0.03 1.03 -1.78 -0.62 -0.37 0.00 0.00 177.43 175.71 2yuf n GLU 97 N -3.35 0.64 0.40 6.67 -0.58 -0.95 -3.87 120.64 119.60 2yuf n GLU 97 Ca -0.01 0.23 -0.19 0.00 -0.42 0.00 0.00 57.16 56.77 2yuf n GLU 97 Cb 0.95 -1.75 -0.10 0.00 -0.57 0.00 0.00 31.44 29.98 2yuf n GLU 97 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yuf h ALA 98 N 1.08 -1.25 -0.07 0.62 0.00 0.67 -2.40 119.26 117.90 2yuf h ALA 98 Ca -0.31 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2yuf h ALA 98 Cb 1.97 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 20.37 2yuf h ALA 98 CO 0.06 -1.22 0.06 0.00 0.00 0.00 0.00 179.25 178.16 2yuf h ALA 99 N -1.17 1.89 -0.61 0.00 0.00 -1.77 -1.43 119.26 116.17 2yuf h ALA 99 Ca -0.10 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2yuf h ALA 99 Cb 0.93 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2yuf h ALA 99 CO 0.08 -0.09 0.40 0.00 0.00 0.00 0.00 179.25 179.64 2yuf h ALA 100 N 1.95 1.76 0.07 0.00 0.00 -1.54 0.40 119.26 121.89 2yuf h ALA 100 Ca 0.03 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 2yuf h ALA 100 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2yuf h ALA 100 CO -0.00 0.16 -1.69 1.96 0.00 0.00 0.00 179.25 179.68 2yuf h GLN 101 N 0.64 0.15 -0.16 0.00 4.20 -1.11 -3.30 115.11 115.53 2yuf h GLN 101 Ca 0.26 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2yuf h GLN 101 Cb 0.20 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2yuf h GLN 101 CO -0.07 0.92 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.75 2yuf h LEU 102 N 0.04 0.25 -0.76 1.46 3.38 -0.92 -2.44 115.31 116.32 2yuf h LEU 102 Ca -0.29 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2yuf h LEU 102 Cb 2.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 2yuf h LEU 102 CO 0.11 0.46 -0.60 0.00 0.09 0.00 0.00 178.44 178.50 2yuf h VAL 104 N 0.07 1.15 -0.14 0.00 2.07 -1.52 -2.86 116.25 115.02 2yuf h VAL 104 Ca -0.01 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2yuf h VAL 104 Cb 1.07 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2yuf h VAL 104 CO 0.08 0.16 0.05 0.11 0.02 0.00 0.00 177.57 177.99 2yuf h LYS 105 N 0.37 0.21 -4.32 1.57 1.79 -1.52 -3.39 116.57 111.28 2yuf h LYS 105 Ca 0.11 -0.04 -0.63 0.00 -2.18 0.00 0.00 60.65 57.91 2yuf h LYS 105 Cb 0.11 -0.03 -0.39 0.00 -1.58 0.00 0.00 32.23 30.33 2yuf h LYS 105 CO -0.01 0.33 -0.75 0.34 -1.08 0.00 0.00 179.45 178.28 2yuf s ASP 106 N -5.56 4.35 0.55 0.86 -1.08 -1.11 -4.97 116.67 109.70 2yuf s ASP 106 Ca -0.14 -1.75 0.24 0.00 -0.52 0.00 0.00 52.55 50.38 2yuf s ASP 106 Cb 0.06 -1.32 1.56 0.00 -1.46 0.00 0.00 42.92 41.77 2yuf s ASP 106 CO 0.70 -0.35 2.18 -1.13 0.52 0.00 0.00 175.17 177.10 2yuf h ASN 107 N 7.83 0.00 -0.11 -0.34 -0.00 -1.72 -1.51 115.58 119.73 2yuf h ASN 107 Ca -0.11 0.00 0.03 0.00 -0.00 0.00 0.00 56.30 56.23 2yuf h ASN 107 Cb 1.03 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.35 2yuf h ASN 107 CO 0.48 0.03 0.08 0.00 -0.00 0.00 0.00 177.43 178.02 2yuf h ALA 108 N 1.97 1.99 0.00 1.57 0.00 -1.93 -0.62 119.26 122.24 2yuf h ALA 108 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2yuf h ALA 108 Cb 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2yuf h ALA 108 CO 0.00 -0.14 -0.07 -0.07 0.00 0.00 0.00 179.25 178.98 2yuf h LEU 109 N 0.00 0.00 -2.00 0.00 3.38 -1.59 -1.86 115.31 113.24 2yuf h LEU 109 Ca 0.05 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2yuf h LEU 109 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2yuf h LEU 109 CO -0.00 0.07 0.20 -0.07 0.09 0.00 0.00 178.44 178.72 2yuf h LEU 110 N 0.00 0.00 0.04 1.67 3.38 -1.27 -2.56 115.31 116.58 2yuf h LEU 110 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2yuf h LEU 110 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2yuf h LEU 110 CO 0.01 0.00 -0.60 0.71 0.09 0.00 0.00 178.44 178.65 2yuf h THR 111 N 0.00 1.47 -1.00 0.22 1.35 -1.50 -3.41 112.91 110.04 2yuf h THR 111 Ca 0.13 -2.36 -0.53 0.00 -0.55 0.00 0.00 66.41 63.10 2yuf h THR 111 Cb 0.53 3.04 -0.09 0.00 -1.73 0.00 0.00 68.15 69.91 2yuf h THR 111 CO -0.00 0.59 1.34 -0.13 -0.25 0.00 0.00 175.52 177.07 2yuf s ARG 112 N -2.32 3.35 0.06 4.72 0.52 -0.96 -4.78 118.95 119.53 2yuf s ARG 112 Ca -0.20 -0.97 -0.16 0.00 -0.52 0.00 0.00 55.73 53.89 2yuf s ARG 112 Cb 0.00 -5.30 -0.22 0.00 0.52 0.00 0.00 34.95 29.96 2yuf s ARG 112 CO 0.71 -2.52 1.19 -0.09 0.02 0.00 0.00 175.30 174.61 2yuf h ARG 113 N 10.05 0.63 -0.11 3.54 2.43 -1.81 -1.63 114.38 127.48 2yuf h ARG 113 Ca 0.19 -0.64 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2yuf h ARG 113 Cb 1.00 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2yuf h ARG 113 CO 1.38 1.24 0.02 -0.44 -1.51 0.00 0.00 179.97 180.66 2yuf h ASP 114 N 0.27 0.14 0.12 -3.80 3.32 -1.94 0.11 116.42 114.65 2yuf h ASP 114 Ca -0.10 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.72 2yuf h ASP 114 Cb 1.51 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 41.04 2yuf h ASP 114 CO 0.17 0.15 -1.05 -0.08 -1.72 0.00 0.00 179.24 176.71 2yuf h GLU 115 N 0.16 0.26 -0.08 3.56 4.81 -1.93 -3.23 114.58 118.12 2yuf h GLU 115 Ca 0.04 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2yuf h GLU 115 Cb 0.08 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2yuf h GLU 115 CO -0.00 1.21 -0.18 1.25 -0.73 0.00 0.00 179.01 180.56 2yuf h LEU 116 N -0.38 0.12 -0.97 1.64 5.85 -1.03 -1.43 115.31 119.11 2yuf h LEU 116 Ca -0.21 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 2yuf h LEU 116 Cb 1.66 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2yuf h LEU 116 CO 0.10 0.31 -0.48 0.15 -0.34 0.00 0.00 178.44 178.18 2yuf h PHE 117 N 0.12 0.08 0.01 1.25 3.57 -0.89 -0.93 116.94 120.15 2yuf h PHE 117 Ca 0.02 -0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 2yuf h PHE 117 Cb 0.39 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2yuf h PHE 117 CO 0.00 0.54 -1.23 0.00 -2.23 0.00 0.00 178.31 175.39 2yuf h ALA 118 N 1.46 0.45 0.06 2.41 0.00 -1.42 -3.26 119.26 118.96 2yuf h ALA 118 Ca -0.00 -1.07 -0.27 0.00 0.00 0.00 0.00 54.91 53.57 2yuf h ALA 118 Cb 0.88 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.73 2yuf h ALA 118 CO 0.07 1.32 -1.11 -0.07 0.00 0.00 0.00 179.25 179.46 2yuf h LEU 119 N 0.01 0.71 -0.43 0.00 3.38 -1.16 -3.23 115.31 114.58 2yuf h LEU 119 Ca -0.10 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.25 2yuf h LEU 119 Cb 1.86 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 2yuf h LEU 119 CO 0.12 1.43 0.28 0.00 0.09 0.00 0.00 178.44 180.37 2yuf h ALA 120 N 0.50 0.55 -0.05 1.53 0.00 -1.28 -1.96 119.26 118.55 2yuf h ALA 120 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2yuf h ALA 120 Cb 1.77 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2yuf h ALA 120 CO 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 179.25 179.48 2yuf h ARG 121 N 0.58 0.06 0.85 0.00 3.08 -1.64 -0.47 114.38 116.84 2yuf h ARG 121 Ca 0.16 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 2yuf h ARG 121 Cb -0.06 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 29.99 2yuf h ARG 121 CO -0.04 0.04 -0.42 0.37 -1.07 0.00 0.00 179.97 178.85 2yuf h GLN 122 N 0.06 -1.11 0.00 0.04 4.15 -1.37 -2.81 115.11 114.07 2yuf h GLN 122 Ca 0.02 0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 2yuf h GLN 122 Cb 0.00 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2yuf h GLN 122 CO -0.00 -0.74 -0.34 0.82 -1.93 0.00 0.00 178.83 176.63 2yuf h ILE 123 N -1.15 0.98 -0.37 2.39 2.04 -1.43 -2.84 117.51 117.12 2yuf h ILE 123 Ca -0.12 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.51 2yuf h ILE 123 Cb 0.89 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 2yuf h ILE 123 CO 0.19 0.34 0.26 -1.28 0.00 0.00 0.00 178.15 177.65 2yuf h SER 124 N 0.00 0.21 0.61 1.72 0.87 -0.88 -1.44 113.55 114.63 2yuf h SER 124 Ca -0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 2yuf h SER 124 Cb 0.73 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 2yuf h SER 124 CO 0.04 0.14 -1.50 0.03 -0.53 0.00 0.00 176.83 175.01 2yuf h ARG 125 N 0.24 0.06 -0.04 2.24 3.08 -1.26 -3.12 114.38 115.56 2yuf h ARG 125 Ca 0.17 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2yuf h ARG 125 Cb 0.36 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2yuf h ARG 125 CO -0.03 0.77 -0.23 1.49 -1.07 0.00 0.00 179.97 180.90 2yuf h GLU 126 N 0.02 0.07 0.00 0.04 4.22 -1.18 -0.26 114.58 117.49 2yuf h GLU 126 Ca -0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.20 2yuf h GLU 126 Cb 1.95 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 2yuf h GLU 126 CO 0.11 0.30 -0.09 0.28 -2.18 0.00 0.00 179.01 177.43 2yuf h VAL 127 N 0.07 1.35 -0.41 0.32 2.07 -1.44 -2.97 116.25 115.24 2yuf h VAL 127 Ca 0.01 -2.05 0.01 0.00 0.82 0.00 0.00 66.70 65.49 2yuf h VAL 127 Cb 0.44 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2yuf h VAL 127 CO 0.03 0.46 0.27 0.74 0.02 0.00 0.00 177.57 179.09 2yuf h THR 128 N -1.00 1.09 -0.32 2.57 2.02 -1.52 -2.26 112.91 113.49 2yuf h THR 128 Ca -0.02 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.86 2yuf h THR 128 Cb 0.81 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2yuf h THR 128 CO -0.01 0.10 -0.23 0.22 0.37 0.00 0.00 175.52 175.96 2yuf h TYR 129 N 0.53 0.86 -3.71 3.16 3.20 -1.16 -3.40 116.97 116.45 2yuf h TYR 129 Ca 0.16 -0.24 -0.68 0.00 3.14 0.00 0.00 58.73 61.11 2yuf h TYR 129 Cb -0.01 -0.19 -0.34 0.00 1.54 0.00 0.00 36.73 37.73 2yuf h TYR 129 CO -0.00 0.98 -0.68 0.21 -1.64 0.00 0.00 178.16 177.03 2yuf s LYS 130 N -4.48 2.29 -0.03 1.82 2.47 -0.85 -5.08 119.74 115.87 2yuf s LYS 130 Ca -0.12 -1.41 0.02 0.00 -1.56 0.00 0.00 55.97 52.90 2yuf s LYS 130 Cb 0.09 -3.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.21 2yuf s LYS 130 CO 0.83 -0.72 -0.09 -0.47 0.16 0.00 0.00 175.35 175.05 2yuf s TYR 131 N 1.21 0.95 -0.22 4.03 5.04 -1.25 -4.64 117.35 122.47 2yuf s TYR 131 Ca -0.02 -0.24 -0.29 0.00 -2.44 0.00 0.00 57.07 54.08 2yuf s TYR 131 Cb -0.20 -0.68 -0.03 0.00 0.35 0.00 0.00 41.96 41.39 2yuf s TYR 131 CO -0.02 -0.10 1.72 0.95 -1.34 0.00 0.00 175.55 176.75 2yuf s THR 132 N 0.22 3.56 -0.32 4.34 -4.23 -1.26 -4.97 115.64 112.98 2yuf s THR 132 Ca -0.04 0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 60.91 2yuf s THR 132 Cb -0.09 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 2yuf s THR 132 CO 0.01 -0.27 0.53 -0.72 -0.54 0.00 0.00 174.62 173.62 2yuf s TYR 133 N 5.67 3.20 -0.15 3.99 -0.85 -1.26 -5.06 117.35 122.90 2yuf s TYR 133 Ca 0.76 0.34 -0.06 0.00 -0.52 0.00 0.00 57.07 57.59 2yuf s TYR 133 Cb -0.26 -2.89 -0.04 0.00 0.38 0.00 0.00 41.96 39.15 2yuf s TYR 133 CO 0.31 -0.47 0.07 -0.98 -1.52 0.00 0.00 175.55 172.97 2yuf s ARG 134 N 2.41 3.66 0.02 -3.49 1.70 -1.26 -5.10 118.95 116.89 2yuf s ARG 134 Ca 0.20 -0.29 0.02 0.00 -0.47 0.00 0.00 55.73 55.18 2yuf s ARG 134 Cb -0.15 -3.14 -0.02 0.00 -0.57 0.00 0.00 34.95 31.07 2yuf s ARG 134 CO 0.12 0.49 -0.06 0.99 -1.08 0.00 0.00 175.30 175.76 2yuf s THR 135 N -0.23 0.40 0.99 4.99 2.01 -1.26 -5.15 115.64 117.39 2yuf s THR 135 Ca 0.08 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 2yuf s THR 135 Cb -0.12 -0.45 0.18 0.00 0.01 0.00 0.00 72.50 72.12 2yuf s THR 135 CO 0.01 -0.26 1.08 -0.89 -0.69 0.00 0.00 174.62 173.87 2yuf s THR 136 N -1.01 2.31 0.28 -0.82 2.01 -1.26 -5.05 115.64 112.10 2yuf s THR 136 Ca -0.08 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.09 2yuf s THR 136 Cb -0.07 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2yuf s THR 136 CO 0.00 -0.13 0.32 -0.94 -0.69 0.00 0.00 174.62 173.18 2yuf s SER 137 N -3.15 5.86 0.10 3.53 1.04 -1.26 -5.14 113.70 114.68 2yuf s SER 137 Ca 0.65 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.94 2yuf s SER 137 Cb -0.20 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.42 2yuf s SER 137 CO 0.59 -0.18 -0.08 -0.83 0.98 0.00 0.00 173.24 173.72 2yuf s GLY 138 N -3.98 0.79 0.22 7.32 0.00 -1.26 -5.05 107.32 105.35 2yuf s GLY 138 Ca 0.37 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 2yuf s GLY 138 CO 0.28 -1.37 1.58 -0.56 0.00 0.00 0.00 173.10 173.02 2yuf h PRO 139 N 3.20 0.51 -3.70 2.90 0.13 -2.08 -3.46 132.00 129.49 2yuf h PRO 139 Ca -0.36 -0.28 -0.08 0.00 -0.87 0.00 0.00 66.00 64.42 2yuf h PRO 139 Cb 1.18 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2yuf h PRO 139 CO 0.60 0.86 -0.29 -1.12 -0.23 0.00 0.00 178.00 177.82 2yuf s SER 140 N -6.87 0.03 -0.07 1.44 0.01 -1.26 -5.06 113.70 101.92 2yuf s SER 140 Ca -0.07 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2yuf s SER 140 Cb 0.12 0.37 0.08 0.00 0.21 0.00 0.00 66.02 66.81 2yuf s SER 140 CO 0.82 -0.76 0.81 -1.54 0.41 0.00 0.00 173.24 172.98 2yuf n SER 141 N -0.10 -0.74 0.00 2.44 3.41 -1.26 -5.22 113.62 112.15 2yuf n SER 141 Ca -0.15 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 2yuf n SER 141 Cb 0.63 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49