#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 -1.06 -4.93 1.61 3.41 -1.26 -5.06 113.62 106.33 2yuf n SER 2 Ca 0.00 -1.13 -0.25 0.00 -0.26 0.00 0.00 58.87 57.23 2yuf n SER 2 Cb 0.00 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.20 2yuf n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yuf s SER 3 N -3.98 6.34 -0.31 4.04 0.15 -1.26 -5.07 113.70 113.61 2yuf s SER 3 Ca 0.53 0.47 -0.11 0.00 0.70 0.00 0.00 55.95 57.54 2yuf s SER 3 Cb -0.04 -2.04 0.20 0.00 -1.71 0.00 0.00 66.02 62.44 2yuf s SER 3 CO 0.39 -0.23 1.15 -0.83 1.20 0.00 0.00 173.24 174.92 2yuf s GLY 4 N -3.74 -1.81 -0.31 9.45 0.00 -1.26 -5.07 107.32 104.58 2yuf s GLY 4 Ca 0.40 1.16 -0.01 0.00 0.00 0.00 0.00 44.72 46.27 2yuf s GLY 4 CO 0.34 4.43 0.05 1.44 0.00 0.00 0.00 173.10 179.36 2yuf n SER 5 N 3.07 -7.92 -4.69 1.64 7.64 -1.26 -5.06 113.62 107.05 2yuf n SER 5 Ca 0.07 1.34 -0.27 0.00 1.01 0.00 0.00 58.87 61.02 2yuf n SER 5 Cb 0.65 -5.27 -0.09 0.00 -1.01 0.00 0.00 64.21 58.49 2yuf n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuf s SER 6 N -1.68 4.12 0.00 6.43 0.01 -1.26 -4.92 113.70 116.39 2yuf s SER 6 Ca 0.02 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2yuf s SER 6 Cb -0.01 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2yuf s SER 6 CO 0.77 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2yuf n GLY 7 N -1.12 1.99 2.14 3.44 0.00 -1.26 -4.86 105.19 105.52 2yuf n GLY 7 Ca -0.05 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2yuf n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuf n GLU 8 N 0.00 -0.43 -0.00 1.61 -0.58 -1.26 -5.04 120.64 114.93 2yuf n GLU 8 Ca 0.00 -1.25 -0.00 0.00 -0.42 0.00 0.00 57.16 55.48 2yuf n GLU 8 Cb 0.00 -0.64 -0.00 0.00 -0.57 0.00 0.00 31.44 30.23 2yuf n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yuf n ALA 9 N -3.31 0.38 -1.13 0.62 0.00 -1.26 -5.04 120.51 110.77 2yuf n ALA 9 Ca -0.11 -0.25 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 2yuf n ALA 9 Cb 0.32 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.99 2yuf n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yuf n LEU 10 N -2.59 0.00 -4.98 0.00 4.77 -1.26 -5.04 117.00 107.89 2yuf n LEU 10 Ca -0.01 -1.05 -0.18 0.00 -0.03 0.00 0.00 56.01 54.74 2yuf n LEU 10 Cb 0.02 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2yuf n LEU 10 CO 0.01 -1.97 0.12 -0.62 -1.33 0.00 0.00 177.39 173.60 2yuf s ASP 11 N -4.23 5.56 0.15 -1.43 -1.08 -1.26 -4.93 116.67 109.45 2yuf s ASP 11 Ca 0.63 -0.47 -0.13 0.00 -0.52 0.00 0.00 52.55 52.06 2yuf s ASP 11 Cb -0.06 -0.67 0.02 0.00 -1.46 0.00 0.00 42.92 40.76 2yuf s ASP 11 CO 0.48 -0.73 1.64 0.00 0.52 0.00 0.00 175.17 177.08 2yuf h ALA 12 N 0.72 0.64 -0.01 3.66 0.00 -1.98 0.30 119.26 122.60 2yuf h ALA 12 Ca -0.41 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 2yuf h ALA 12 Cb 1.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2yuf h ALA 12 CO 0.48 0.36 -0.68 0.00 0.00 0.00 0.00 179.25 179.41 2yuf h ALA 13 N 0.97 0.86 0.12 0.00 0.00 -2.00 -2.09 119.26 117.12 2yuf h ALA 13 Ca 0.15 -0.61 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 2yuf h ALA 13 Cb 0.37 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2yuf h ALA 13 CO 0.01 0.84 -1.22 0.00 0.00 0.00 0.00 179.25 178.88 2yuf h ALA 14 N 1.29 0.09 -0.02 0.00 0.00 -1.88 -3.25 119.26 115.49 2yuf h ALA 14 Ca -0.01 -0.82 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 2yuf h ALA 14 Cb 1.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2yuf h ALA 14 CO 0.09 0.84 -0.66 0.00 0.00 0.00 0.00 179.25 179.52 2yuf h ALA 15 N 0.49 0.87 -0.44 0.00 0.00 -0.40 -3.20 119.26 116.59 2yuf h ALA 15 Ca -0.15 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 2yuf h ALA 15 Cb 1.91 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2yuf h ALA 15 CO 0.21 0.80 0.23 -0.07 0.00 0.00 0.00 179.25 180.43 2yuf h LEU 16 N 0.06 0.55 -1.63 0.00 3.38 -1.44 -2.36 115.31 113.86 2yuf h LEU 16 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2yuf h LEU 16 Cb 1.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2yuf h LEU 16 CO 0.09 0.49 0.24 -1.28 0.09 0.00 0.00 178.44 178.07 2yuf h SER 17 N 0.57 0.42 0.29 -0.43 0.87 -1.58 -0.91 113.55 112.77 2yuf h SER 17 Ca 0.15 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2yuf h SER 17 Cb 0.06 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2yuf h SER 17 CO -0.02 0.31 -0.30 0.58 -0.53 0.00 0.00 176.83 176.86 2yuf h VAL 18 N 0.50 1.22 0.00 2.23 2.07 -1.44 0.16 116.25 120.99 2yuf h VAL 18 Ca 0.13 -1.06 -0.24 0.00 0.82 0.00 0.00 66.70 66.35 2yuf h VAL 18 Cb -0.05 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2yuf h VAL 18 CO -0.03 0.31 -1.31 0.00 0.02 0.00 0.00 177.57 176.56 2yuf h ALA 19 N 1.67 0.58 0.02 1.67 0.00 -1.01 -2.79 119.26 119.40 2yuf h ALA 19 Ca 0.00 -1.12 -0.23 0.00 0.00 0.00 0.00 54.91 53.55 2yuf h ALA 19 Cb 0.55 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2yuf h ALA 19 CO 0.04 1.34 -1.15 0.93 0.00 0.00 0.00 179.25 180.41 2yuf h GLU 20 N 0.00 0.05 0.11 0.00 4.39 -0.94 -3.21 114.58 114.98 2yuf h GLU 20 Ca -0.14 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.30 2yuf h GLU 20 Cb 1.84 0.03 0.02 0.00 -0.10 0.00 0.00 28.75 30.54 2yuf h GLU 20 CO 0.10 0.96 -0.78 0.00 -1.16 0.00 0.00 179.01 178.13 2yuf h VAL 22 N -0.27 0.94 0.00 0.00 3.04 -1.62 0.14 116.25 118.49 2yuf h VAL 22 Ca -0.13 -0.05 -0.12 0.00 -1.01 0.00 0.00 66.70 65.39 2yuf h VAL 22 Cb 1.57 0.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.61 2yuf h VAL 22 CO 0.15 0.03 -0.60 -0.33 -1.01 0.00 0.00 177.57 175.81 2yuf h GLU 23 N 0.16 0.00 0.06 4.17 5.08 -1.61 -1.49 114.58 120.94 2yuf h GLU 23 Ca 0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 2yuf h GLU 23 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2yuf h GLU 23 CO -0.02 0.55 -1.38 0.00 -1.00 0.00 0.00 179.01 177.16 2yuf h ARG 24 N 0.00 0.13 0.00 2.33 2.47 -0.93 -3.34 114.38 115.04 2yuf h ARG 24 Ca -0.01 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.39 2yuf h ARG 24 Cb 1.44 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.83 2yuf h ARG 24 CO 0.07 0.98 -0.99 0.00 0.56 0.00 0.00 179.97 180.59 2yuf h MET 25 N 0.04 0.00 -0.09 0.04 -0.00 -0.86 -3.37 114.93 110.68 2yuf h MET 25 Ca -0.17 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.57 2yuf h MET 25 Cb 1.94 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 33.49 2yuf h MET 25 CO 0.14 0.22 -0.22 0.00 -0.00 0.00 0.00 176.91 177.05 2yuf h ALA 26 N 1.66 -0.22 -0.65 -3.00 0.00 -1.38 0.93 119.26 116.59 2yuf h ALA 26 Ca -0.07 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2yuf h ALA 26 Cb 1.32 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 2yuf h ALA 26 CO 0.03 -0.69 0.19 -1.35 0.00 0.00 0.00 179.25 177.43 2yuf h PRO 27 N -0.30 0.31 -0.10 0.00 0.11 -1.73 -0.60 132.00 129.69 2yuf h PRO 27 Ca 0.09 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 2yuf h PRO 27 Cb 0.43 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2yuf h PRO 27 CO -0.26 0.21 -0.46 1.79 -0.21 0.00 0.00 178.00 179.06 2yuf h THR 28 N 0.32 1.33 -4.06 -1.15 1.35 -1.64 -3.45 112.91 105.61 2yuf h THR 28 Ca 0.35 -1.64 -0.54 0.00 -0.55 0.00 0.00 66.41 64.04 2yuf h THR 28 Cb 0.52 1.76 0.12 0.00 -1.73 0.00 0.00 68.15 68.82 2yuf h THR 28 CO -0.40 0.49 0.53 -0.76 -0.25 0.00 0.00 175.52 175.12 2yuf s LEU 29 N -8.17 3.78 0.96 3.87 1.43 0.28 -4.97 118.68 115.86 2yuf s LEU 29 Ca -0.04 2.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.47 2yuf s LEU 29 Cb 0.13 -4.43 0.06 0.00 0.03 0.00 0.00 46.19 41.98 2yuf s LEU 29 CO 0.78 -1.53 0.49 -2.65 0.23 0.00 0.00 176.35 173.67 2yuf n PRO 30 N -1.24 -0.41 -3.90 1.29 -0.02 -1.26 -4.95 135.00 124.51 2yuf n PRO 30 Ca 0.12 -0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.17 2yuf n PRO 30 Cb 0.47 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.90 2yuf n PRO 30 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2yuf s LYS 31 N -3.76 2.27 -0.18 -0.52 -2.85 -1.26 -5.04 119.74 108.39 2yuf s LYS 31 Ca 0.58 -1.42 -0.04 0.00 -1.00 0.00 0.00 55.97 54.09 2yuf s LYS 31 Cb -0.21 -3.24 -0.02 0.00 -2.06 0.00 0.00 37.83 32.29 2yuf s LYS 31 CO 0.66 -0.73 -0.03 -1.12 0.10 0.00 0.00 175.35 174.24 2yuf s SER 32 N 1.33 4.69 0.59 0.03 0.01 -1.26 -5.10 113.70 113.98 2yuf s SER 32 Ca -0.02 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.87 2yuf s SER 32 Cb -0.20 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 2yuf s SER 32 CO -0.02 0.09 1.05 -0.62 0.41 0.00 0.00 173.24 174.15 2yuf s ASP 33 N 0.83 5.87 0.13 2.44 -1.08 -1.26 -4.94 116.67 118.66 2yuf s ASP 33 Ca -0.00 1.78 0.10 0.00 -0.52 0.00 0.00 52.55 53.91 2yuf s ASP 33 Cb -0.14 -2.53 -0.15 0.00 -1.46 0.00 0.00 42.92 38.64 2yuf s ASP 33 CO 0.02 -1.10 1.20 -0.07 0.52 0.00 0.00 175.17 175.74 2yuf h LEU 34 N 0.47 0.00 -1.79 -1.34 3.38 -1.99 -3.29 115.31 110.75 2yuf h LEU 34 Ca -0.47 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2yuf h LEU 34 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2yuf h LEU 34 CO 0.58 0.87 0.20 -1.13 0.09 0.00 0.00 178.44 179.05 2yuf h ASN 35 N 0.00 0.23 0.40 -0.43 -1.24 -1.98 0.21 115.58 112.77 2yuf h ASN 35 Ca -0.06 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 2yuf h ASN 35 Cb 1.71 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.71 2yuf h ASN 35 CO 0.10 0.16 -0.19 -0.33 -1.29 0.00 0.00 177.43 175.89 2yuf h GLU 36 N 0.27 -0.51 -0.07 6.67 5.08 -1.97 -2.98 114.58 121.06 2yuf h GLU 36 Ca 0.13 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2yuf h GLU 36 Cb 0.16 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2yuf h GLU 36 CO -0.03 -0.24 0.05 -0.39 -1.00 0.00 0.00 179.01 177.41 2yuf h VAL 37 N -1.05 0.96 -0.07 3.13 -1.51 -1.62 -0.65 116.25 115.44 2yuf h VAL 37 Ca -0.05 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.35 2yuf h VAL 37 Cb 0.51 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2yuf h VAL 37 CO 0.09 0.00 -0.24 0.11 -1.23 0.00 0.00 177.57 176.30 2yuf h LYS 38 N 0.00 0.12 0.00 5.19 1.57 -0.96 -2.75 116.57 119.74 2yuf h LYS 38 Ca 0.03 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2yuf h LYS 38 Cb 0.14 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2yuf h LYS 38 CO -0.00 0.36 -1.38 0.93 -0.57 0.00 0.00 179.45 178.79 2yuf h GLU 39 N 0.11 0.00 -0.03 3.15 5.08 -0.99 -3.32 114.58 118.57 2yuf h GLU 39 Ca 0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2yuf h GLU 39 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2yuf h GLU 39 CO 0.03 0.68 0.03 -0.07 -1.00 0.00 0.00 179.01 178.68 2yuf h LEU 40 N 0.00 0.00 -0.72 1.33 3.38 -1.01 -1.12 115.31 117.18 2yuf h LEU 40 Ca -0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 2yuf h LEU 40 Cb 1.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 2yuf h LEU 40 CO 0.10 0.00 -0.52 -0.07 0.09 0.00 0.00 178.44 178.04 2yuf h LEU 41 N 0.00 0.35 -1.52 1.67 3.38 -1.63 -1.34 115.31 116.22 2yuf h LEU 41 Ca 0.02 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2yuf h LEU 41 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2yuf h LEU 41 CO -0.00 0.81 -0.25 0.11 0.09 0.00 0.00 178.44 179.20 2yuf h LYS 42 N 0.25 0.00 0.01 1.13 6.56 -1.36 -2.82 116.57 120.34 2yuf h LYS 42 Ca 0.01 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.31 2yuf h LYS 42 Cb 1.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.62 2yuf h LYS 42 CO 0.08 0.25 -1.67 0.00 -2.06 0.00 0.00 179.45 176.05 2yuf h THR 43 N 0.00 0.91 -5.10 -0.16 1.03 -1.45 -3.48 112.91 104.66 2yuf h THR 43 Ca -0.00 -2.73 -0.22 0.00 -0.01 0.00 0.00 66.41 63.44 2yuf h THR 43 Cb 0.46 2.47 0.01 0.00 -1.07 0.00 0.00 68.15 70.02 2yuf h THR 43 CO 0.03 0.57 -0.05 0.59 -0.01 0.00 0.00 175.52 176.66 2yuf n ASN 44 N -3.12 1.10 0.00 0.00 4.13 -0.52 -5.08 115.26 111.77 2yuf n ASN 44 Ca -0.17 -1.72 0.00 0.00 1.68 0.00 0.00 54.58 54.37 2yuf n ASN 44 Cb 1.04 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 2yuf n ASN 44 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2yuf n LYS 45 N -1.47 0.00 0.16 3.52 0.00 -1.26 -4.70 118.16 114.40 2yuf n LYS 45 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.43 2yuf n LYS 45 Cb 0.27 -0.15 0.55 0.00 0.00 0.00 0.00 35.03 35.70 2yuf n LYS 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2yuf h LYS 46 N 0.00 0.21 0.05 1.64 6.56 -1.98 0.20 116.57 123.25 2yuf h LYS 46 Ca 0.00 -0.01 -0.25 0.00 -1.06 0.00 0.00 60.65 59.33 2yuf h LYS 46 Cb 0.10 -0.05 0.01 0.00 -0.57 0.00 0.00 32.23 31.72 2yuf h LYS 46 CO 0.00 0.15 -1.06 -0.07 -2.06 0.00 0.00 179.45 176.41 2yuf h LEU 47 N 0.22 0.58 -0.40 2.94 3.38 -1.93 -1.43 115.31 118.66 2yuf h LEU 47 Ca 0.06 -0.51 -0.16 0.00 0.09 0.00 0.00 57.88 57.36 2yuf h LEU 47 Cb -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2yuf h LEU 47 CO -0.01 1.33 -0.75 0.00 0.09 0.00 0.00 178.44 179.10 2yuf h ALA 48 N 0.62 0.69 0.00 1.53 0.00 -1.62 -1.69 119.26 118.79 2yuf h ALA 48 Ca -0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 53.95 2yuf h ALA 48 Cb 1.72 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2yuf h ALA 48 CO 0.19 0.93 -1.03 0.87 0.00 0.00 0.00 179.25 180.21 2yuf h LYS 49 N 0.00 0.00 0.00 0.00 1.57 -0.68 -2.28 116.57 115.18 2yuf h LYS 49 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2yuf h LYS 49 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 2yuf h LYS 49 CO 0.10 0.53 -0.05 1.98 -0.57 0.00 0.00 179.45 181.43 2yuf h MET 50 N 0.00 0.00 -0.71 3.15 4.05 -1.25 -3.43 114.93 116.74 2yuf h MET 50 Ca -0.09 0.00 -0.44 0.00 -0.28 0.00 0.00 59.70 58.89 2yuf h MET 50 Cb 1.59 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 31.98 2yuf h MET 50 CO 0.07 0.00 -0.93 0.44 0.23 0.00 0.00 176.91 176.72 2yuf n ILE 51 N -3.14 2.04 0.03 1.77 -5.35 -0.69 -4.79 119.36 109.23 2yuf n ILE 51 Ca -0.01 -3.79 -0.05 0.00 -0.27 0.00 0.00 62.75 58.63 2yuf n ILE 51 Cb 0.03 -0.26 -0.10 0.00 -1.74 0.00 0.00 39.64 37.56 2yuf n ILE 51 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2yuf h GLY 52 N 2.39 0.00 1.89 3.28 0.00 -0.85 -3.18 103.07 106.59 2yuf h GLY 52 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 2yuf h GLY 52 CO 0.56 0.00 -0.75 1.12 0.00 0.00 0.00 176.54 177.47 2yuf h HIS 53 N 0.00 0.15 0.01 5.60 2.07 -1.87 -3.17 115.15 117.94 2yuf h HIS 53 Ca -0.16 -0.07 -0.20 0.00 -2.85 0.00 0.00 60.37 57.09 2yuf h HIS 53 Cb 1.78 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 31.72 2yuf h HIS 53 CO 0.00 0.81 -0.91 0.82 -3.07 0.00 0.00 177.93 175.58 2yuf h ILE 54 N 0.07 1.57 -0.32 6.12 2.04 -1.92 -2.34 117.51 122.72 2yuf h ILE 54 Ca -0.02 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.98 2yuf h ILE 54 Cb 1.32 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.98 2yuf h ILE 54 CO 0.11 0.83 0.21 -0.26 0.00 0.00 0.00 178.15 179.03 2yuf h PHE 55 N 0.05 0.40 0.00 1.37 0.04 -1.52 -2.54 116.94 114.73 2yuf h PHE 55 Ca -0.03 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 2yuf h PHE 55 Cb 1.57 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.57 2yuf h PHE 55 CO 0.02 0.26 -0.41 0.93 -0.60 0.00 0.00 178.31 178.50 2yuf h GLU 56 N 0.43 0.00 -6.91 1.51 4.39 -1.62 -3.46 114.58 108.92 2yuf h GLU 56 Ca 0.12 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.27 2yuf h GLU 56 Cb -0.05 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 28.80 2yuf h GLU 56 CO -0.03 0.41 -0.15 -0.12 -1.16 0.00 0.00 179.01 177.96 2yuf n MET 57 N -3.24 0.09 -2.46 2.33 1.56 -0.88 -5.01 117.12 109.51 2yuf n MET 57 Ca 0.02 0.09 -0.24 0.00 -0.27 0.00 0.00 57.70 57.30 2yuf n MET 57 Cb 0.67 -2.08 0.10 0.00 2.15 0.00 0.00 33.22 34.06 2yuf n MET 57 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2yuf s ASN 58 N -1.88 4.42 -0.02 6.12 2.47 -1.26 -4.99 114.94 119.80 2yuf s ASN 58 Ca 0.66 -0.11 -0.03 0.00 0.42 0.00 0.00 52.86 53.80 2yuf s ASN 58 Cb -0.29 -0.35 -0.27 0.00 -1.45 0.00 0.00 41.25 38.89 2yuf s ASN 58 CO 0.58 -1.81 0.77 0.44 -3.72 0.00 0.00 177.10 173.35 2yuf h ASP 59 N -0.57 0.38 -0.02 -4.21 5.19 -1.97 -3.31 116.42 111.90 2yuf h ASP 59 Ca -0.39 -0.58 0.01 0.00 -0.62 0.00 0.00 57.03 55.45 2yuf h ASP 59 Cb 1.28 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2yuf h ASP 59 CO 0.45 1.49 0.02 -0.78 -3.12 0.00 0.00 179.24 177.30 2yuf h ASP 60 N 0.07 0.00 -2.12 6.45 3.58 -2.04 -3.42 116.42 118.93 2yuf h ASP 60 Ca -0.28 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.59 2yuf h ASP 60 Cb 2.02 0.00 0.02 0.00 1.72 0.00 0.00 39.33 43.09 2yuf h ASP 60 CO 0.15 0.00 1.18 -0.67 -2.88 0.00 0.00 179.24 177.02 2yuf n ASP 61 N -4.15 3.67 0.15 2.28 -0.08 -1.25 -4.87 116.55 112.31 2yuf n ASP 61 Ca -0.02 0.89 -0.00 0.00 -1.51 0.00 0.00 54.79 54.14 2yuf n ASP 61 Cb 0.11 -1.43 0.21 0.00 2.34 0.00 0.00 41.12 42.35 2yuf n ASP 61 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2yuf h PRO 62 N 10.14 0.00 0.00 -0.67 0.13 -1.93 -2.96 132.00 136.71 2yuf h PRO 62 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2yuf h PRO 62 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2yuf h PRO 62 CO 0.95 0.56 -0.07 0.45 -0.23 0.00 0.00 178.00 179.66 2yuf h HIS 63 N 0.00 0.00 -0.73 1.56 3.86 -1.96 -2.74 115.15 115.15 2yuf h HIS 63 Ca -0.01 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 2yuf h HIS 63 Cb 1.00 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.40 2yuf h HIS 63 CO 0.00 0.07 0.38 0.87 0.86 0.00 0.00 177.93 180.11 2yuf h LYS 64 N 0.00 0.62 -0.04 2.45 1.57 -1.86 0.29 116.57 119.60 2yuf h LYS 64 Ca -0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2yuf h LYS 64 Cb 0.23 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2yuf h LYS 64 CO 0.01 0.41 0.03 0.93 -0.57 0.00 0.00 179.45 180.26 2yuf h GLU 65 N 0.64 0.01 0.06 3.15 3.07 -1.68 0.98 114.58 120.81 2yuf h GLU 65 Ca 0.35 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.95 2yuf h GLU 65 Cb 0.35 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2yuf h GLU 65 CO -0.26 0.01 -1.10 0.93 -1.40 0.00 0.00 179.01 177.19 2yuf h GLU 66 N 0.01 0.47 -0.17 2.33 5.08 -1.11 -2.51 114.58 118.68 2yuf h GLU 66 Ca 0.02 -0.59 -0.17 0.00 -1.00 0.00 0.00 59.36 57.62 2yuf h GLU 66 Cb 0.07 0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2yuf h GLU 66 CO -0.00 1.22 -0.58 0.93 -1.00 0.00 0.00 179.01 179.59 2yuf h GLU 67 N 0.23 0.69 0.10 2.33 4.39 -0.41 -2.28 114.58 119.63 2yuf h GLU 67 Ca -0.13 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.05 2yuf h GLU 67 Cb 1.76 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 2yuf h GLU 67 CO 0.20 1.13 -0.05 0.82 -1.16 0.00 0.00 179.01 179.95 2yuf h ILE 68 N 0.38 1.04 -0.42 3.13 2.04 -0.93 -1.66 117.51 121.09 2yuf h ILE 68 Ca -0.02 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2yuf h ILE 68 Cb 1.20 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2yuf h ILE 68 CO 0.12 0.13 0.26 0.03 0.00 0.00 0.00 178.15 178.70 2yuf h ARG 69 N -0.39 0.55 -0.35 2.37 3.08 -1.53 0.22 114.38 118.33 2yuf h ARG 69 Ca -0.01 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2yuf h ARG 69 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2yuf h ARG 69 CO 0.02 0.37 -0.11 -0.22 -1.07 0.00 0.00 179.97 178.97 2yuf h LYS 70 N 0.57 0.70 0.00 0.04 3.64 -1.24 -2.95 116.57 117.32 2yuf h LYS 70 Ca 0.15 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2yuf h LYS 70 Cb -0.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2yuf h LYS 70 CO -0.03 0.87 0.00 1.88 -2.27 0.00 0.00 179.45 179.90 2yuf h TYR 71 N 0.48 0.00 -0.79 1.91 0.05 -0.74 -3.25 116.97 114.64 2yuf h TYR 71 Ca 0.09 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.33 2yuf h TYR 71 Cb 0.63 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.13 2yuf h TYR 71 CO 0.05 0.00 0.69 0.43 -1.05 0.00 0.00 178.16 178.28 2yuf n SER 72 N -3.04 6.99 -3.98 3.88 7.64 0.71 -4.75 113.62 121.07 2yuf n SER 72 Ca 0.03 -3.49 -0.41 0.00 1.01 0.00 0.00 58.87 56.02 2yuf n SER 72 Cb 0.48 -0.99 -0.01 0.00 -1.01 0.00 0.00 64.21 62.68 2yuf n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuf n ALA 73 N -0.45 4.87 0.09 -0.43 0.00 -1.23 -4.64 120.51 118.73 2yuf n ALA 73 Ca 0.50 -4.78 -0.22 0.00 0.00 0.00 0.00 53.44 48.94 2yuf n ALA 73 Cb 0.68 -2.15 -0.13 0.00 0.00 0.00 0.00 19.45 17.85 2yuf n ALA 73 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2yuf h ILE 74 N 3.45 1.30 0.00 0.00 2.04 -1.91 -3.39 117.51 119.00 2yuf h ILE 74 Ca 0.20 -2.47 -0.41 0.00 1.00 0.00 0.00 64.86 63.18 2yuf h ILE 74 Cb 0.66 2.76 -0.07 0.00 -0.74 0.00 0.00 36.82 39.43 2yuf h ILE 74 CO 1.21 0.74 -2.48 -1.22 0.00 0.00 0.00 178.15 176.41 2yuf n TYR 75 N -3.83 0.03 -0.01 1.37 4.02 -1.26 -4.99 117.16 112.48 2yuf n TYR 75 Ca -0.14 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 2yuf n TYR 75 Cb 0.97 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 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 2.03 0.91 3.74 2.72 0.00 -1.26 -4.47 105.19 108.86 2yuf n GLY 76 Ca -0.48 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 2yuf n GLY 76 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yuf s ARG 77 N 0.09 1.69 0.50 1.61 3.52 -1.26 -4.95 118.95 120.15 2yuf s ARG 77 Ca 0.00 -1.12 0.19 0.00 -0.13 0.00 0.00 55.73 54.67 2yuf s ARG 77 Cb 0.00 0.55 1.25 0.00 -1.56 0.00 0.00 34.95 35.19 2yuf s ARG 77 CO 0.00 -0.74 2.04 0.27 -0.81 0.00 0.00 175.30 176.06 2yuf h PHE 78 N 2.11 0.12 -3.13 5.12 -0.00 -1.92 -3.38 116.94 115.87 2yuf h PHE 78 Ca -0.22 0.00 -0.56 0.00 -0.00 0.00 0.00 57.97 57.19 2yuf h PHE 78 Cb 1.25 -0.04 -0.06 0.00 -0.00 0.00 0.00 35.95 37.10 2yuf h PHE 78 CO 0.44 0.06 1.07 0.34 -0.00 0.00 0.00 178.31 180.22 2yuf s ASP 79 N -6.51 6.27 -0.20 -0.68 2.15 -1.26 -4.84 116.67 111.60 2yuf s ASP 79 Ca -0.06 0.55 0.13 0.00 0.43 0.00 0.00 52.55 53.60 2yuf s ASP 79 Cb 0.19 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.69 2yuf s ASP 79 CO 0.72 -1.54 1.21 -1.54 -0.17 0.00 0.00 175.17 173.84 2yuf n SER 80 N 9.08 2.10 -0.08 -0.34 3.41 -1.26 -4.69 113.62 121.84 2yuf n SER 80 Ca 0.14 -3.61 -0.13 0.00 -0.26 0.00 0.00 58.87 55.01 2yuf n SER 80 Cb 0.49 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 2yuf n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2yuf n LYS 81 N -0.85 0.68 -3.71 4.33 5.02 -1.26 -4.95 118.16 117.42 2yuf n LYS 81 Ca 0.21 0.14 -0.12 0.00 -2.02 0.00 0.00 58.31 56.52 2yuf n LYS 81 Cb 0.79 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.53 0.26 -0.26 1.97 0.52 -1.26 -5.11 118.95 112.54 2yuf s ARG 82 Ca -0.17 0.64 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2yuf s ARG 82 Cb 0.07 -0.07 0.06 0.00 0.52 0.00 0.00 34.95 35.53 2yuf s ARG 82 CO 0.76 -0.17 -0.08 0.21 0.02 0.00 0.00 175.30 176.03 2yuf s LYS 83 N 1.44 2.01 -0.10 3.54 2.36 -1.26 -4.95 119.74 122.78 2yuf s LYS 83 Ca -0.08 -1.29 -0.05 0.00 -2.55 0.00 0.00 55.97 52.00 2yuf s LYS 83 Cb -0.10 -2.82 -0.04 0.00 -1.05 0.00 0.00 37.83 33.81 2yuf s LYS 83 CO -0.10 -0.61 -0.13 -0.25 1.55 0.00 0.00 175.35 175.82 2yuf n ASP 84 N 4.49 0.79 0.00 1.43 9.92 -1.26 -5.04 116.55 126.87 2yuf n ASP 84 Ca -0.12 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 2yuf n ASP 84 Cb 0.43 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 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 2.40 -1.81 0.09 0.44 0.00 -1.26 -5.04 105.19 100.01 2yuf n GLY 85 Ca -0.19 0.74 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 0.99 0.00 1.61 4.81 -1.26 -4.94 118.16 119.37 2yuf n LYS 86 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2yuf n LYS 86 Cb 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2yuf n LYS 86 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2yuf n HIS 87 N -2.75 -1.85 -1.66 5.64 8.25 -1.26 -5.14 115.22 116.46 2yuf n HIS 87 Ca -0.31 0.01 -0.30 0.00 -0.26 0.00 0.00 57.72 56.86 2yuf n HIS 87 Cb 1.06 0.52 0.08 0.00 1.12 0.00 0.00 29.99 32.76 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2yuf s LEU 88 N -5.01 2.70 0.01 2.41 1.43 -1.26 -4.97 118.68 113.98 2yuf s LEU 88 Ca 0.00 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 2yuf s LEU 88 Cb 0.00 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2yuf s LEU 88 CO 0.00 -1.77 0.00 1.07 0.23 0.00 0.00 176.35 175.88 2yuf n THR 89 N -3.30 0.00 0.00 5.49 5.66 -1.26 -4.68 114.28 116.19 2yuf n THR 89 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2yuf n THR 89 Cb 0.56 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.51 0.00 0.18 1.09 7.94 -1.26 -4.92 117.00 117.51 2yuf n LEU 90 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 2yuf n LEU 90 Cb 0.00 0.37 0.43 0.00 0.53 0.00 0.00 43.42 44.75 2yuf n LEU 90 CO 0.00 -0.37 0.86 -0.74 -1.11 0.00 0.00 177.39 176.03 2yuf h HIS 91 N 0.00 0.10 0.00 1.96 2.76 -1.98 -2.21 115.15 115.77 2yuf h HIS 91 Ca 0.00 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 2yuf h HIS 91 Cb 0.00 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2yuf h HIS 91 CO 0.00 0.30 -0.42 0.93 -1.30 0.00 0.00 177.93 177.43 2yuf h GLU 92 N 0.09 0.00 -0.17 5.26 3.07 -1.93 -2.92 114.58 117.97 2yuf h GLU 92 Ca 0.02 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.69 2yuf h GLU 92 Cb 0.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2yuf h GLU 92 CO 0.03 0.42 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.34 2yuf h LEU 93 N 0.00 0.73 -1.85 1.33 3.38 -1.76 -1.77 115.31 115.37 2yuf h LEU 93 Ca -0.00 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2yuf h LEU 93 Cb 0.75 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2yuf h LEU 93 CO 0.05 1.19 -0.09 0.74 0.09 0.00 0.00 178.44 180.42 2yuf h THR 94 N 0.46 1.02 0.14 0.22 2.02 -1.36 -1.62 112.91 113.79 2yuf h THR 94 Ca -0.02 -0.32 -0.31 0.00 0.77 0.00 0.00 66.41 66.53 2yuf h THR 94 Cb 1.24 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 2yuf h THR 94 CO 0.13 0.09 -1.58 0.58 0.37 0.00 0.00 175.52 175.11 2yuf h VAL 95 N 0.00 0.96 -0.47 3.16 2.07 -1.48 -2.64 116.25 117.86 2yuf h VAL 95 Ca -0.00 -2.43 0.01 0.00 0.82 0.00 0.00 66.70 65.10 2yuf h VAL 95 Cb 0.17 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2yuf h VAL 95 CO 0.01 0.77 0.31 -1.13 0.02 0.00 0.00 177.57 177.55 2yuf h ASN 96 N -0.14 0.52 0.72 0.57 -1.24 -1.10 0.75 115.58 115.67 2yuf h ASN 96 Ca -0.33 -0.01 -0.26 0.00 0.71 0.00 0.00 56.30 56.41 2yuf h ASN 96 Cb 1.90 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 40.78 2yuf h ASN 96 CO 0.10 0.38 -1.39 -0.33 -1.29 0.00 0.00 177.43 174.90 2yuf h GLU 97 N 0.62 0.01 -0.16 6.67 3.07 -1.43 -3.31 114.58 120.05 2yuf h GLU 97 Ca 0.17 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 2yuf h GLU 97 Cb -0.05 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2yuf h GLU 97 CO -0.04 0.74 -0.26 0.00 -1.40 0.00 0.00 179.01 178.05 2yuf h ALA 98 N 0.98 0.24 -0.03 3.43 0.00 -1.01 -2.96 119.26 119.92 2yuf h ALA 98 Ca -0.16 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2yuf h ALA 98 Cb 1.91 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2yuf h ALA 98 CO 0.10 0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.60 2yuf h ALA 99 N 0.58 1.97 -0.08 0.00 0.00 -1.02 -2.42 119.26 118.29 2yuf h ALA 99 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2yuf h ALA 99 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2yuf h ALA 99 CO 0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.14 2yuf h ALA 100 N 1.99 0.12 -0.05 0.00 0.00 -1.62 -1.69 119.26 118.01 2yuf h ALA 100 Ca 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2yuf h ALA 100 Cb 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2yuf h ALA 100 CO -0.00 0.01 0.03 1.96 0.00 0.00 0.00 179.25 181.25 2yuf h GLN 101 N -0.23 0.01 0.05 0.00 4.20 -1.28 -1.22 115.11 116.63 2yuf h GLN 101 Ca 0.01 -0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 2yuf h GLN 101 Cb 0.70 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2yuf h GLN 101 CO 0.03 0.00 -1.19 -0.07 -0.67 0.00 0.00 178.83 176.94 2yuf h LEU 102 N 0.01 0.17 -0.64 1.46 3.38 -1.41 -3.25 115.31 115.03 2yuf h LEU 102 Ca 0.02 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 2yuf h LEU 102 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2yuf h LEU 102 CO -0.00 1.15 -0.48 0.00 0.09 0.00 0.00 178.44 179.20 2yuf h VAL 104 N 0.39 0.95 -0.22 0.00 2.07 -1.35 -2.76 116.25 115.32 2yuf h VAL 104 Ca 0.02 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2yuf h VAL 104 Cb 0.99 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2yuf h VAL 104 CO 0.09 0.09 0.15 0.11 0.02 0.00 0.00 177.57 178.02 2yuf h LYS 105 N -0.36 0.22 -3.44 1.57 1.79 -1.58 -3.38 116.57 111.39 2yuf h LYS 105 Ca -0.02 -0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 57.93 2yuf h LYS 105 Cb 0.29 -0.05 -0.40 0.00 -1.58 0.00 0.00 32.23 30.49 2yuf h LYS 105 CO 0.03 0.14 -0.76 0.34 -1.08 0.00 0.00 179.45 178.12 2yuf s ASP 106 N -6.82 2.80 0.42 0.86 -1.08 -1.05 -5.00 116.67 106.80 2yuf s ASP 106 Ca -0.06 -0.79 0.19 0.00 -0.52 0.00 0.00 52.55 51.36 2yuf s ASP 106 Cb 0.17 -0.52 0.96 0.00 -1.46 0.00 0.00 42.92 42.07 2yuf s ASP 106 CO 0.70 -0.32 1.90 -1.13 0.52 0.00 0.00 175.17 176.84 2yuf h ASN 107 N 8.28 0.00 0.13 -0.34 -0.00 -1.72 -2.59 115.58 119.34 2yuf h ASN 107 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.12 2yuf h ASN 107 Cb 1.13 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.44 2yuf h ASN 107 CO 0.33 0.28 -0.08 0.00 -0.00 0.00 0.00 177.43 177.95 2yuf h ALA 108 N 1.72 1.63 -0.13 1.57 0.00 -1.92 -1.88 119.26 120.25 2yuf h ALA 108 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2yuf h ALA 108 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2yuf h ALA 108 CO 0.04 0.10 0.12 -0.07 0.00 0.00 0.00 179.25 179.44 2yuf h LEU 109 N 0.00 0.00 -1.19 0.00 3.38 -1.76 -1.58 115.31 114.16 2yuf h LEU 109 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2yuf h LEU 109 Cb 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2yuf h LEU 109 CO 0.01 0.00 0.57 -0.07 0.09 0.00 0.00 178.44 179.04 2yuf h LEU 110 N 0.00 0.84 -0.06 1.67 3.38 -1.52 -1.40 115.31 118.22 2yuf h LEU 110 Ca 0.06 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 2yuf h LEU 110 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2yuf h LEU 110 CO -0.00 0.52 -1.00 0.71 0.09 0.00 0.00 178.44 178.75 2yuf h THR 111 N 0.94 1.65 -3.30 0.22 1.35 -1.48 -3.44 112.91 108.85 2yuf h THR 111 Ca 0.39 -3.22 -0.58 0.00 -0.55 0.00 0.00 66.41 62.46 2yuf h THR 111 Cb 0.30 2.79 -0.07 0.00 -1.73 0.00 0.00 68.15 69.44 2yuf h THR 111 CO -0.16 0.92 0.39 -0.13 -0.25 0.00 0.00 175.52 176.30 2yuf s ARG 112 N -2.80 4.28 -0.21 4.72 0.52 -0.53 -4.94 118.95 119.99 2yuf s ARG 112 Ca -0.00 0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 56.03 2yuf s ARG 112 Cb 0.10 -3.58 -0.08 0.00 0.52 0.00 0.00 34.95 31.91 2yuf s ARG 112 CO 0.83 -0.35 -0.35 -2.13 0.02 0.00 0.00 175.30 173.31 2yuf n ARG 113 N 5.33 0.55 0.19 3.54 0.63 -1.26 -3.83 116.66 121.81 2yuf n ARG 113 Ca 0.04 0.22 0.12 0.00 -0.92 0.00 0.00 57.85 57.32 2yuf n ARG 113 Cb 0.49 -1.44 0.68 0.00 0.45 0.00 0.00 32.46 32.63 2yuf n ARG 113 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2yuf h ASP 114 N -1.00 0.00 0.21 6.15 5.19 -1.96 -0.54 116.42 124.47 2yuf h ASP 114 Ca -0.20 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 2yuf h ASP 114 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2yuf h ASP 114 CO -0.12 0.00 -0.10 -0.08 -3.12 0.00 0.00 179.24 175.82 2yuf h GLU 115 N 0.00 -0.27 -0.14 3.56 4.57 -1.96 -2.95 114.58 117.39 2yuf h GLU 115 Ca 0.08 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2yuf h GLU 115 Cb 0.32 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2yuf h GLU 115 CO -0.00 0.04 0.11 1.25 -1.18 0.00 0.00 179.01 179.23 2yuf h LEU 116 N -0.98 0.00 -0.84 1.64 5.85 -1.61 -0.17 115.31 119.20 2yuf h LEU 116 Ca -0.03 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 2yuf h LEU 116 Cb 0.43 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2yuf h LEU 116 CO 0.05 0.00 -0.44 0.15 -0.34 0.00 0.00 178.44 177.86 2yuf h PHE 117 N 0.00 0.00 0.00 1.25 3.57 -1.16 -2.38 116.94 118.22 2yuf h PHE 117 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2yuf h PHE 117 Cb 0.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2yuf h PHE 117 CO 0.00 0.44 -0.43 0.00 -2.23 0.00 0.00 178.31 176.09 2yuf h ALA 118 N 1.56 0.75 0.00 2.41 0.00 -0.85 -3.23 119.26 119.90 2yuf h ALA 118 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yuf h ALA 118 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2yuf h ALA 118 CO 0.06 0.00 -0.46 -0.07 0.00 0.00 0.00 179.25 178.78 2yuf h LEU 119 N 0.00 0.00 -2.10 0.00 3.38 -1.28 -3.27 115.31 112.04 2yuf h LEU 119 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2yuf h LEU 119 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2yuf h LEU 119 CO 0.00 0.72 0.32 0.00 0.09 0.00 0.00 178.44 179.56 2yuf h ALA 120 N -1.03 1.96 0.00 1.53 0.00 -1.62 0.16 119.26 120.27 2yuf h ALA 120 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2yuf h ALA 120 Cb 0.46 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2yuf h ALA 120 CO 0.00 -0.47 -0.70 -0.09 0.00 0.00 0.00 179.25 177.99 2yuf h ARG 121 N 0.00 0.00 -0.31 0.00 9.65 -1.73 -3.10 114.38 118.90 2yuf h ARG 121 Ca 0.14 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 2yuf h ARG 121 Cb 0.77 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 2yuf h ARG 121 CO -0.00 0.70 -0.05 1.96 2.80 0.00 0.00 179.97 185.38 2yuf h GLN 122 N 0.00 0.49 0.01 0.20 4.20 -0.72 -2.76 115.11 116.52 2yuf h GLN 122 Ca -0.01 -0.11 -0.23 0.00 0.06 0.00 0.00 58.65 58.36 2yuf h GLN 122 Cb 1.53 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.21 2yuf h GLN 122 CO 0.09 0.55 -1.17 0.82 -0.67 0.00 0.00 178.83 178.45 2yuf h ILE 123 N 0.46 1.52 0.00 2.54 2.04 -1.59 -3.28 117.51 119.20 2yuf h ILE 123 Ca 0.10 -3.25 -0.01 0.00 1.00 0.00 0.00 64.86 62.69 2yuf h ILE 123 Cb 0.38 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2yuf h ILE 123 CO 0.02 0.87 -0.06 -1.28 0.00 0.00 0.00 178.15 177.70 2yuf h SER 124 N 0.01 0.00 0.94 1.72 0.87 -1.41 0.15 113.55 115.83 2yuf h SER 124 Ca -0.08 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.26 2yuf h SER 124 Cb 1.84 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.77 2yuf h SER 124 CO 0.12 0.06 -1.06 0.03 -0.53 0.00 0.00 176.83 175.46 2yuf h ARG 125 N 0.00 0.02 0.20 2.24 3.08 -1.59 -3.12 114.38 115.22 2yuf h ARG 125 Ca -0.00 -0.04 -0.34 0.00 0.07 0.00 0.00 59.98 59.67 2yuf h ARG 125 Cb 0.14 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.22 2yuf h ARG 125 CO 0.01 1.00 -1.62 0.93 -1.07 0.00 0.00 179.97 179.22 2yuf h GLU 126 N 0.01 0.42 0.00 0.04 4.39 -1.42 -3.21 114.58 114.81 2yuf h GLU 126 Ca -0.03 -0.72 -0.03 0.00 0.34 0.00 0.00 59.36 58.92 2yuf h GLU 126 Cb 1.80 0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 30.71 2yuf h GLU 126 CO 0.13 1.34 -0.13 0.28 -1.16 0.00 0.00 179.01 179.48 2yuf h VAL 127 N 0.06 0.96 0.00 3.13 2.07 -0.86 -2.54 116.25 119.08 2yuf h VAL 127 Ca -0.31 -0.47 -0.26 0.00 0.82 0.00 0.00 66.70 66.48 2yuf h VAL 127 Cb 2.07 1.26 0.02 0.00 -1.52 0.00 0.00 31.29 33.12 2yuf h VAL 127 CO 0.19 0.13 -1.04 0.71 0.02 0.00 0.00 177.57 177.58 2yuf h THR 128 N 0.00 1.29 0.07 2.57 1.35 -1.64 -3.37 112.91 113.18 2yuf h THR 128 Ca -0.00 -2.28 -0.00 0.00 -0.55 0.00 0.00 66.41 63.58 2yuf h THR 128 Cb 0.25 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2yuf h THR 128 CO 0.02 0.70 -0.04 0.22 -0.25 0.00 0.00 175.52 176.17 2yuf h TYR 129 N 0.37 -0.09 -2.71 4.73 3.20 -1.45 -3.39 116.97 117.63 2yuf h TYR 129 Ca -0.12 -0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.20 2yuf h TYR 129 Cb 1.69 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.94 2yuf h TYR 129 CO 0.10 -0.06 1.15 0.15 -1.64 0.00 0.00 178.16 177.86 2yuf s LYS 130 N -3.22 3.22 0.00 1.82 1.02 -1.10 -4.47 119.74 117.02 2yuf s LYS 130 Ca -0.01 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.57 2yuf s LYS 130 Cb 0.00 -4.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 2yuf s LYS 130 CO 0.04 -2.02 0.00 0.98 -0.92 0.00 0.00 175.35 173.43 2yuf n TYR 131 N 10.05 -1.19 -3.09 3.18 4.19 -1.26 -4.83 117.16 124.22 2yuf n TYR 131 Ca 0.15 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.22 2yuf n TYR 131 Cb 0.49 0.34 0.04 0.00 0.49 0.00 0.00 39.34 40.71 2yuf n TYR 131 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 2yuf n THR 132 N -2.18 0.00 -2.50 2.97 -1.04 -1.26 -5.06 114.28 105.20 2yuf n THR 132 Ca 0.00 -1.35 0.03 0.00 -2.04 0.00 0.00 64.05 60.69 2yuf n THR 132 Cb 0.00 -0.63 0.02 0.00 -1.82 0.00 0.00 70.33 67.90 2yuf n THR 132 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2yuf n TYR 133 N -1.83 0.07 -0.04 -1.42 4.01 -1.26 -4.73 117.16 111.96 2yuf n TYR 133 Ca 0.10 -0.61 -0.05 0.00 -0.16 0.00 0.00 57.90 57.19 2yuf n TYR 133 Cb 0.41 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.27 2yuf n TYR 133 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2yuf n ARG 134 N 0.40 1.65 -0.04 -0.72 0.63 -1.26 -4.74 116.66 112.58 2yuf n ARG 134 Ca 0.04 0.02 -0.20 0.00 -0.92 0.00 0.00 57.85 56.80 2yuf n ARG 134 Cb 1.11 -1.19 -0.13 0.00 0.45 0.00 0.00 32.46 32.69 2yuf n ARG 134 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2yuf n THR 135 N -2.50 1.67 -3.33 5.15 5.66 -1.26 -4.72 114.28 114.95 2yuf n THR 135 Ca -0.14 -0.64 -0.47 0.00 -3.05 0.00 0.00 64.05 59.76 2yuf n THR 135 Cb 0.71 -1.58 -0.03 0.00 -1.55 0.00 0.00 70.33 67.89 2yuf n THR 135 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2yuf s THR 136 N -2.55 5.50 0.02 1.09 2.01 -1.26 -4.75 115.64 115.71 2yuf s THR 136 Ca -0.26 -2.30 0.00 0.00 0.31 0.00 0.00 61.69 59.44 2yuf s THR 136 Cb 0.07 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 68.16 2yuf s THR 136 CO 0.72 -1.00 0.00 -0.24 -0.69 0.00 0.00 174.62 173.41 2yuf n SER 137 N 4.20 0.02 0.00 3.53 2.88 -1.26 -4.74 113.62 118.25 2yuf n SER 137 Ca 0.09 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2yuf n SER 137 Cb 0.46 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2yuf n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuf n GLY 138 N 2.19 5.30 0.00 0.46 0.00 -1.26 -5.16 105.19 106.72 2yuf n GLY 138 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2yuf n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuf n PRO 139 N 0.00 -0.68 -3.82 1.61 -0.04 -1.26 -5.04 135.00 125.77 2yuf n PRO 139 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2yuf n PRO 139 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2yuf n PRO 139 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yuf s SER 140 N -1.51 6.45 -0.10 3.54 0.01 -1.26 -5.00 113.70 115.82 2yuf s SER 140 Ca 0.00 0.48 0.20 0.00 1.31 0.00 0.00 55.95 57.95 2yuf s SER 140 Cb 0.00 -2.06 0.44 0.00 0.21 0.00 0.00 66.02 64.61 2yuf s SER 140 CO 0.00 0.27 1.18 -1.20 0.41 0.00 0.00 173.24 173.90 2yuf n SER 141 N 1.15 1.47 0.00 2.44 7.64 -1.26 -5.29 113.62 119.76 2yuf n SER 141 Ca -0.12 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.10 2yuf n SER 141 Cb 0.53 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64