#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 2.16 -0.20 1.61 0.01 -1.26 -4.98 113.70 111.04 2yuf s SER 2 Ca 0.00 0.52 0.13 0.00 1.31 0.00 0.00 55.95 57.91 2yuf s SER 2 Cb 0.00 -0.73 0.44 0.00 0.21 0.00 0.00 66.02 65.94 2yuf s SER 2 CO 0.00 -3.35 1.20 -1.20 0.41 0.00 0.00 173.24 170.30 2yuf n SER 3 N -4.22 2.45 0.00 2.44 7.64 -1.26 -4.98 113.62 115.69 2yuf n SER 3 Ca 0.13 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.57 2yuf n SER 3 Cb 0.59 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.73 2.93 1.41 0.23 0.00 -1.26 -4.53 105.19 103.24 2yuf n GLY 4 Ca 0.23 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2yuf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuf n SER 5 N 1.53 0.00 -4.47 1.61 7.64 -1.26 -5.04 113.62 113.62 2yuf n SER 5 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2yuf n SER 5 Cb 0.00 0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.92 6.61 0.00 6.43 0.01 -1.26 -4.16 113.70 119.41 2yuf s SER 6 Ca 0.00 -1.93 0.00 0.00 1.31 0.00 0.00 55.95 55.33 2yuf s SER 6 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2yuf s SER 6 CO 0.00 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.11 2yuf n GLY 7 N 5.77 0.00 3.30 3.44 0.00 -1.26 -4.54 105.19 111.90 2yuf n GLY 7 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2yuf n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuf s GLU 8 N 0.00 2.18 0.03 1.61 2.12 -1.26 -4.11 118.70 119.27 2yuf s GLU 8 Ca 0.00 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.41 2yuf s GLU 8 Cb 0.00 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.35 2yuf s GLU 8 CO 0.00 0.52 0.02 0.00 -0.54 0.00 0.00 175.26 175.26 2yuf n ALA 9 N 2.54 0.04 -0.60 6.30 0.00 -1.26 -5.12 120.51 122.42 2yuf n ALA 9 Ca -0.16 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 2yuf n ALA 9 Cb 0.51 0.06 0.20 0.00 0.00 0.00 0.00 19.45 20.22 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 0.00 1.20 0.00 0.00 4.77 -1.26 -5.02 117.00 116.68 2yuf n LEU 10 Ca -0.00 0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.93 2yuf n LEU 10 Cb 0.04 -1.37 0.15 0.00 -2.33 0.00 0.00 43.42 39.91 2yuf n LEU 10 CO 0.02 -2.69 0.66 -0.67 -1.33 0.00 0.00 177.39 173.38 2yuf n ASP 11 N -4.30 0.30 -0.02 -1.43 2.03 -1.26 -4.75 116.55 107.12 2yuf n ASP 11 Ca 0.08 -1.51 -0.13 0.00 0.52 0.00 0.00 54.79 53.75 2yuf n ASP 11 Cb 0.53 -0.77 -0.09 0.00 -0.72 0.00 0.00 41.12 40.08 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yuf h ALA 12 N -1.56 0.05 -0.14 -1.67 0.00 -1.98 0.20 119.26 114.16 2yuf h ALA 12 Ca -0.33 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 2yuf h ALA 12 Cb 0.98 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2yuf h ALA 12 CO 0.26 -0.22 -0.38 0.00 0.00 0.00 0.00 179.25 178.91 2yuf h ALA 13 N 0.62 1.11 -0.01 0.00 0.00 -1.99 -1.72 119.26 117.27 2yuf h ALA 13 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2yuf h ALA 13 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2yuf h ALA 13 CO 0.01 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 2yuf h ALA 14 N 1.36 0.01 -0.88 0.00 0.00 -1.92 -2.99 119.26 114.83 2yuf h ALA 14 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2yuf h ALA 14 Cb 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2yuf h ALA 14 CO 0.06 -0.09 0.56 0.00 0.00 0.00 0.00 179.25 179.78 2yuf h ALA 15 N 0.29 1.32 -0.89 0.00 0.00 -0.61 -2.31 119.26 117.07 2yuf h ALA 15 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2yuf h ALA 15 Cb 0.77 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2yuf h ALA 15 CO 0.01 0.60 0.54 -0.07 0.00 0.00 0.00 179.25 180.33 2yuf h LEU 16 N 1.21 1.07 -1.84 0.00 3.38 -1.38 -1.77 115.31 115.97 2yuf h LEU 16 Ca 0.32 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2yuf h LEU 16 Cb -0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2yuf h LEU 16 CO -0.06 0.82 0.08 -1.28 0.09 0.00 0.00 178.44 178.08 2yuf h SER 17 N 1.22 0.16 -0.03 -0.43 0.87 -1.26 -0.54 113.55 113.54 2yuf h SER 17 Ca 0.32 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2yuf h SER 17 Cb -0.05 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2yuf h SER 17 CO -0.06 0.13 -0.05 0.58 -0.53 0.00 0.00 176.83 176.89 2yuf h VAL 18 N 0.19 1.42 -0.09 2.23 2.07 -1.19 -1.71 116.25 119.18 2yuf h VAL 18 Ca 0.05 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 2yuf h VAL 18 Cb 0.00 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2yuf h VAL 18 CO -0.01 0.36 -0.21 0.00 0.02 0.00 0.00 177.57 177.73 2yuf h ALA 19 N 0.48 1.49 -0.05 1.67 0.00 -1.10 -0.69 119.26 121.07 2yuf h ALA 19 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2yuf h ALA 19 Cb 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2yuf h ALA 19 CO 0.01 0.36 -0.78 0.93 0.00 0.00 0.00 179.25 179.78 2yuf h GLU 20 N 0.13 0.35 -0.01 0.00 5.08 -1.09 -2.65 114.58 116.39 2yuf h GLU 20 Ca 0.02 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2yuf h GLU 20 Cb 0.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2yuf h GLU 20 CO 0.03 0.97 -0.15 0.00 -1.00 0.00 0.00 179.01 178.86 2yuf h VAL 22 N -0.52 1.04 0.00 0.00 3.04 -1.22 0.18 116.25 118.77 2yuf h VAL 22 Ca -0.01 -0.11 -0.06 0.00 -1.01 0.00 0.00 66.70 65.50 2yuf h VAL 22 Cb 0.86 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 2yuf h VAL 22 CO 0.03 0.06 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.05 2yuf h GLU 23 N 0.33 0.00 0.02 4.17 4.39 -1.50 -1.01 114.58 120.99 2yuf h GLU 23 Ca 0.11 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.59 2yuf h GLU 23 Cb 0.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2yuf h GLU 23 CO -0.02 0.27 -1.23 0.00 -1.16 0.00 0.00 179.01 176.86 2yuf h ARG 24 N 0.00 0.04 0.00 2.33 3.08 -0.89 -3.37 114.38 115.57 2yuf h ARG 24 Ca -0.00 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 2yuf h ARG 24 Cb 0.93 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2yuf h ARG 24 CO 0.03 1.03 -0.33 0.00 -1.07 0.00 0.00 179.97 179.63 2yuf h MET 25 N -0.86 0.00 0.56 0.04 -0.00 -0.80 -3.13 114.93 110.74 2yuf h MET 25 Ca -0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.35 2yuf h MET 25 Cb 1.37 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.96 2yuf h MET 25 CO -0.15 0.33 -0.44 0.00 -0.00 0.00 0.00 176.91 176.65 2yuf h ALA 26 N 1.67 -1.17 -0.72 -3.00 0.00 -1.34 0.23 119.26 114.93 2yuf h ALA 26 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2yuf h ALA 26 Cb 0.73 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2yuf h ALA 26 CO 0.04 -1.16 0.46 -1.00 0.00 0.00 0.00 179.25 177.59 2yuf h PRO 27 N -0.97 0.97 0.00 0.00 0.13 -1.71 -2.19 132.00 128.22 2yuf h PRO 27 Ca -0.07 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.93 2yuf h PRO 27 Cb 0.81 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2yuf h PRO 27 CO 0.01 0.66 -0.26 1.79 -0.23 0.00 0.00 178.00 179.97 2yuf h THR 28 N 0.98 1.13 -3.28 1.56 1.35 -1.48 -3.43 112.91 109.75 2yuf h THR 28 Ca 0.26 -0.92 -0.53 0.00 -0.55 0.00 0.00 66.41 64.68 2yuf h THR 28 Cb -0.08 1.50 0.05 0.00 -1.73 0.00 0.00 68.15 67.89 2yuf h THR 28 CO -0.05 0.26 0.74 -0.76 -0.25 0.00 0.00 175.52 175.46 2yuf s LEU 29 N -8.28 4.39 0.00 3.87 1.43 0.80 -5.01 118.68 115.89 2yuf s LEU 29 Ca -0.03 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2yuf s LEU 29 Cb 0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2yuf s LEU 29 CO 0.70 -0.67 0.00 -2.65 0.23 0.00 0.00 176.35 173.96 2yuf n PRO 30 N 2.74 -0.69 -4.23 1.29 -0.02 -1.26 -4.96 135.00 127.86 2yuf n PRO 30 Ca 0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.41 2yuf n PRO 30 Cb 0.41 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.78 2yuf n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2yuf s LYS 31 N -1.98 1.01 0.17 -0.52 1.02 -1.26 -5.05 119.74 113.13 2yuf s LYS 31 Ca 0.00 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 54.67 2yuf s LYS 31 Cb 0.00 -0.67 -0.05 0.00 -0.52 0.00 0.00 37.83 36.60 2yuf s LYS 31 CO 0.00 0.10 -0.03 -1.54 -0.92 0.00 0.00 175.35 172.96 2yuf s SER 32 N -2.88 1.42 -0.07 2.83 1.04 -1.26 -5.14 113.70 109.64 2yuf s SER 32 Ca 0.13 -1.13 -0.21 0.00 0.48 0.00 0.00 55.95 55.21 2yuf s SER 32 Cb -0.00 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2yuf s SER 32 CO 0.01 -0.50 0.61 -1.81 0.98 0.00 0.00 173.24 172.53 2yuf s ASP 33 N -3.18 6.90 0.29 7.02 1.11 -1.26 -4.96 116.67 122.58 2yuf s ASP 33 Ca 0.22 1.07 0.09 0.00 0.18 0.00 0.00 52.55 54.12 2yuf s ASP 33 Cb 0.05 -2.37 0.42 0.00 1.07 0.00 0.00 42.92 42.10 2yuf s ASP 33 CO 0.03 -0.03 1.65 -0.07 1.18 0.00 0.00 175.17 177.93 2yuf h LEU 34 N 6.51 0.07 -0.77 1.23 3.38 -2.00 -3.04 115.31 120.68 2yuf h LEU 34 Ca -0.42 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2yuf h LEU 34 Cb 1.19 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2yuf h LEU 34 CO 0.74 0.60 -0.02 -1.13 0.09 0.00 0.00 178.44 178.72 2yuf h ASN 35 N 0.05 0.89 0.34 -0.43 -0.73 -2.00 -2.04 115.58 111.67 2yuf h ASN 35 Ca -0.00 -0.24 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 2yuf h ASN 35 Cb 0.98 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.34 2yuf h ASN 35 CO 0.07 0.96 -0.16 -0.33 -0.37 0.00 0.00 177.43 177.60 2yuf h GLU 36 N 0.84 -0.44 -0.10 6.67 5.08 -1.95 -2.82 114.58 121.85 2yuf h GLU 36 Ca 0.15 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2yuf h GLU 36 Cb 0.53 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2yuf h GLU 36 CO 0.03 -0.19 0.08 -0.39 -1.00 0.00 0.00 179.01 177.54 2yuf h VAL 37 N -0.64 0.90 -0.42 3.13 -1.51 -1.52 -2.15 116.25 114.03 2yuf h VAL 37 Ca -0.05 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.44 2yuf h VAL 37 Cb 0.46 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 2yuf h VAL 37 CO 0.08 0.00 0.25 0.11 -1.23 0.00 0.00 177.57 176.78 2yuf h LYS 38 N 0.00 0.49 -0.05 5.19 1.57 -1.11 -1.97 116.57 120.69 2yuf h LYS 38 Ca 0.05 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2yuf h LYS 38 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2yuf h LYS 38 CO -0.00 0.32 -0.29 0.93 -0.57 0.00 0.00 179.45 179.84 2yuf h GLU 39 N 0.50 0.09 -0.44 3.15 4.39 -1.29 -2.52 114.58 118.46 2yuf h GLU 39 Ca 0.17 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.85 2yuf h GLU 39 Cb 0.01 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2yuf h GLU 39 CO -0.08 0.38 0.29 -0.07 -1.16 0.00 0.00 179.01 178.38 2yuf h LEU 40 N 0.08 0.48 0.14 1.33 3.38 -1.19 -1.65 115.31 117.87 2yuf h LEU 40 Ca 0.01 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2yuf h LEU 40 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2yuf h LEU 40 CO 0.04 0.34 -1.34 -0.07 0.09 0.00 0.00 178.44 177.50 2yuf h LEU 41 N 0.56 0.46 -1.69 1.67 3.38 -1.27 -3.05 115.31 115.36 2yuf h LEU 41 Ca 0.17 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2yuf h LEU 41 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2yuf h LEU 41 CO -0.04 1.41 -0.17 0.11 0.09 0.00 0.00 178.44 179.85 2yuf h LYS 42 N 0.08 0.00 0.06 1.13 1.57 -1.05 -2.37 116.57 115.98 2yuf h LYS 42 Ca -0.17 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.36 2yuf h LYS 42 Cb 2.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.30 2yuf h LYS 42 CO 0.20 0.17 -1.19 0.00 -0.57 0.00 0.00 179.45 178.06 2yuf h THR 43 N 0.00 1.53 -2.47 -0.16 1.03 -1.38 -3.46 112.91 108.00 2yuf h THR 43 Ca -0.00 -3.19 -0.46 0.00 -0.01 0.00 0.00 66.41 62.75 2yuf h THR 43 Cb 0.30 2.84 0.01 0.00 -1.07 0.00 0.00 68.15 70.23 2yuf h THR 43 CO 0.02 0.90 -0.24 0.20 -0.01 0.00 0.00 175.52 176.39 2yuf s ASN 44 N -6.85 6.10 -0.09 0.00 -0.87 -0.89 -5.04 114.94 107.31 2yuf s ASN 44 Ca -0.02 0.20 0.06 0.00 -1.57 0.00 0.00 52.86 51.53 2yuf s ASN 44 Cb 0.09 -1.69 -0.09 0.00 -0.02 0.00 0.00 41.25 39.53 2yuf s ASN 44 CO 0.85 -0.40 0.00 1.17 -2.57 0.00 0.00 177.10 176.15 2yuf n LYS 45 N -1.77 2.15 0.11 -0.60 3.00 -1.26 -4.27 118.16 115.51 2yuf n LYS 45 Ca -0.03 0.01 -0.16 0.00 -0.00 0.00 0.00 58.31 58.13 2yuf n LYS 45 Cb 0.57 -1.21 -0.14 0.00 0.00 0.00 0.00 35.03 34.25 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 0.28 -0.27 1.64 1.57 -1.96 -2.93 116.57 114.91 2yuf h LYS 46 Ca -0.22 -0.48 -0.19 0.00 -1.87 0.00 0.00 60.65 57.89 2yuf h LYS 46 Cb 1.47 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.96 2yuf h LYS 46 CO 0.00 1.23 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.47 2yuf h LEU 47 N 0.08 0.96 -1.14 2.94 3.38 -1.89 0.21 115.31 119.85 2yuf h LEU 47 Ca -0.14 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 2yuf h LEU 47 Cb 1.97 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2yuf h LEU 47 CO 0.21 1.33 -0.20 0.00 0.09 0.00 0.00 178.44 179.86 2yuf h ALA 48 N 0.66 1.02 0.00 1.53 0.00 -1.73 -1.05 119.26 119.69 2yuf h ALA 48 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 2yuf h ALA 48 Cb 1.18 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2yuf h ALA 48 CO 0.12 0.25 -1.94 1.63 0.00 0.00 0.00 179.25 179.32 2yuf n LYS 49 N -3.36 0.65 -0.03 0.00 4.01 -1.10 -2.86 118.16 115.47 2yuf n LYS 49 Ca 0.00 0.19 -0.00 0.00 -0.51 0.00 0.00 58.31 57.99 2yuf n LYS 49 Cb 0.42 -1.70 -0.00 0.00 -0.51 0.00 0.00 35.03 33.24 2yuf n LYS 49 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2yuf h MET 50 N 0.00 0.00 -0.50 1.97 4.05 -0.52 -3.42 114.93 116.52 2yuf h MET 50 Ca -0.37 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 58.68 2yuf h MET 50 Cb 2.08 0.00 -0.33 0.00 -0.80 0.00 0.00 31.60 32.55 2yuf h MET 50 CO 0.06 0.00 -0.81 0.44 0.23 0.00 0.00 176.91 176.83 2yuf n ILE 51 N -3.40 2.13 0.02 1.77 -5.35 -0.51 -4.74 119.36 109.28 2yuf n ILE 51 Ca -0.00 -3.64 -0.03 0.00 -0.27 0.00 0.00 62.75 58.81 2yuf n ILE 51 Cb 0.00 -0.46 -0.10 0.00 -1.74 0.00 0.00 39.64 37.34 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 1.92 0.00 1.88 3.28 0.00 -1.11 -3.35 103.07 105.69 2yuf h GLY 52 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.32 2yuf h GLY 52 CO 0.47 0.00 -0.85 1.12 0.00 0.00 0.00 176.54 177.28 2yuf h HIS 53 N 0.00 0.16 -0.55 5.60 2.07 -1.85 -3.21 115.15 117.37 2yuf h HIS 53 Ca -0.20 -0.09 -0.06 0.00 -2.85 0.00 0.00 60.37 57.17 2yuf h HIS 53 Cb 1.74 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 31.67 2yuf h HIS 53 CO 0.00 0.90 0.11 0.82 -3.07 0.00 0.00 177.93 176.69 2yuf h ILE 54 N 0.06 1.24 -0.07 6.12 2.04 -1.91 0.78 117.51 125.76 2yuf h ILE 54 Ca -0.03 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 2yuf h ILE 54 Cb 1.48 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2yuf h ILE 54 CO 0.12 0.33 -0.37 -0.26 0.00 0.00 0.00 178.15 177.97 2yuf h PHE 55 N 0.83 0.16 0.07 1.37 0.04 -1.68 -2.96 116.94 114.76 2yuf h PHE 55 Ca 0.18 -0.04 -0.26 0.00 2.80 0.00 0.00 57.97 60.65 2yuf h PHE 55 Cb 0.34 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 2yuf h PHE 55 CO 0.02 0.50 -1.29 0.93 -0.60 0.00 0.00 178.31 177.87 2yuf h GLU 56 N 0.12 0.14 -7.22 1.51 5.08 -1.45 -3.47 114.58 109.31 2yuf h GLU 56 Ca 0.01 -0.24 -0.47 0.00 -1.00 0.00 0.00 59.36 57.67 2yuf h GLU 56 Cb 0.72 0.09 0.20 0.00 0.50 0.00 0.00 28.75 30.25 2yuf h GLU 56 CO 0.05 1.03 0.11 1.41 -1.00 0.00 0.00 179.01 180.61 2yuf s MET 57 N -2.66 -0.08 0.00 2.33 1.75 0.22 -5.02 119.30 115.85 2yuf s MET 57 Ca -0.04 0.99 0.00 0.00 -1.25 0.00 0.00 55.69 55.40 2yuf s MET 57 Cb 0.08 -1.64 0.00 0.00 2.84 0.00 0.00 34.83 36.11 2yuf s MET 57 CO 0.85 -3.20 0.00 -1.71 -0.65 0.00 0.00 175.02 170.31 2yuf n ASN 58 N -4.57 -1.06 -0.94 1.11 2.85 -1.26 -4.97 115.26 106.42 2yuf n ASN 58 Ca 0.06 -0.45 0.02 0.00 -0.11 0.00 0.00 54.58 54.09 2yuf n ASN 58 Cb 0.54 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.72 2yuf n ASN 58 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2yuf n ASP 59 N -2.94 2.01 -1.23 1.20 9.92 -1.26 -4.67 116.55 119.58 2yuf n ASP 59 Ca 0.00 -3.60 -0.05 0.00 -0.53 0.00 0.00 54.79 50.61 2yuf n ASP 59 Cb 0.00 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 39.97 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 -0.85 -0.65 -4.88 -2.24 9.92 -1.26 -5.12 116.55 111.47 2yuf n ASP 60 Ca 0.20 -2.02 -0.36 0.00 -0.53 0.00 0.00 54.79 52.08 2yuf n ASP 60 Cb 0.79 0.21 -0.06 0.00 -0.64 0.00 0.00 41.12 41.42 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2yuf s ASP 61 N -1.22 6.45 0.37 -2.24 2.15 -1.26 -5.00 116.67 115.91 2yuf s ASP 61 Ca 0.07 0.52 0.16 0.00 0.43 0.00 0.00 52.55 53.73 2yuf s ASP 61 Cb 0.10 -2.08 0.72 0.00 -0.30 0.00 0.00 42.92 41.36 2yuf s ASP 61 CO -0.04 0.35 1.78 1.55 -0.17 0.00 0.00 175.17 178.64 2yuf h PRO 62 N 4.61 0.00 0.00 4.34 0.13 -2.00 -2.92 132.00 136.15 2yuf h PRO 62 Ca -0.53 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.44 2yuf h PRO 62 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2yuf h PRO 62 CO 0.61 0.39 -0.75 0.45 -0.23 0.00 0.00 178.00 178.48 2yuf h HIS 63 N 0.00 0.00 -0.54 1.56 3.86 -2.01 -3.29 115.15 114.73 2yuf h HIS 63 Ca -0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2yuf h HIS 63 Cb 0.80 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 2yuf h HIS 63 CO 0.00 0.75 0.29 -0.22 0.86 0.00 0.00 177.93 179.61 2yuf h LYS 64 N 0.00 0.55 -0.18 2.45 3.64 -1.92 -1.19 116.57 119.92 2yuf h LYS 64 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2yuf h LYS 64 Cb 1.49 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2yuf h LYS 64 CO 0.10 0.37 0.08 0.93 -2.27 0.00 0.00 179.45 178.65 2yuf h GLU 65 N 0.57 0.25 -0.21 1.90 5.08 -1.64 -1.22 114.58 119.31 2yuf h GLU 65 Ca 0.23 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2yuf h GLU 65 Cb 0.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2yuf h GLU 65 CO -0.14 0.21 -0.14 0.93 -1.00 0.00 0.00 179.01 178.86 2yuf h GLU 66 N 0.25 0.46 -0.61 2.33 5.08 -1.35 0.38 114.58 121.13 2yuf h GLU 66 Ca 0.07 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2yuf h GLU 66 Cb 0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2yuf h GLU 66 CO -0.01 0.78 0.10 0.93 -1.00 0.00 0.00 179.01 179.81 2yuf h GLU 67 N 0.15 1.01 -0.10 2.33 4.39 -0.90 0.28 114.58 121.74 2yuf h GLU 67 Ca 0.04 -0.27 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 2yuf h GLU 67 Cb 0.66 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2yuf h GLU 67 CO 0.04 0.95 -0.57 0.82 -1.16 0.00 0.00 179.01 179.09 2yuf h ILE 68 N 0.92 1.36 0.02 3.13 2.04 -1.23 -2.40 117.51 121.35 2yuf h ILE 68 Ca 0.19 -1.88 -0.18 0.00 1.00 0.00 0.00 64.86 63.98 2yuf h ILE 68 Cb 0.43 1.91 0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2yuf h ILE 68 CO 0.01 0.56 -0.72 0.03 0.00 0.00 0.00 178.15 178.03 2yuf h ARG 69 N 0.23 0.46 -0.51 2.37 3.08 -0.67 -1.05 114.38 118.29 2yuf h ARG 69 Ca 0.00 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 2yuf h ARG 69 Cb 1.06 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2yuf h ARG 69 CO 0.09 1.17 0.21 -0.22 -1.07 0.00 0.00 179.97 180.15 2yuf h LYS 70 N -0.03 0.72 0.03 0.04 3.64 -0.47 -2.51 116.57 117.99 2yuf h LYS 70 Ca -0.10 -0.10 -0.24 0.00 -1.27 0.00 0.00 60.65 58.95 2yuf h LYS 70 Cb 1.43 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 2yuf h LYS 70 CO 0.14 0.58 -1.16 1.88 -2.27 0.00 0.00 179.45 178.62 2yuf h TYR 71 N 0.71 0.10 -0.27 1.91 0.05 -1.48 -3.43 116.97 114.57 2yuf h TYR 71 Ca 0.17 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 2yuf h TYR 71 Cb 0.12 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 2yuf h TYR 71 CO 0.01 1.07 0.01 0.43 -1.05 0.00 0.00 178.16 178.62 2yuf n SER 72 N -3.34 1.68 -3.64 3.88 7.64 -0.40 -4.83 113.62 114.61 2yuf n SER 72 Ca -0.04 -1.75 -0.16 0.00 1.01 0.00 0.00 58.87 57.92 2yuf n SER 72 Cb 0.97 -1.68 -0.15 0.00 -1.01 0.00 0.00 64.21 62.34 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 15.57 -0.28 -0.09 -0.43 0.00 -1.26 -4.83 121.76 130.44 2yuf s ALA 73 Ca 0.90 0.60 0.04 0.00 0.00 0.00 0.00 51.96 53.51 2yuf s ALA 73 Cb -0.11 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 2yuf s ALA 73 CO 0.11 -0.69 -0.03 -0.89 0.00 0.00 0.00 175.76 174.26 2yuf n ILE 74 N 5.33 0.57 -0.07 0.00 5.41 -1.26 -4.87 119.36 124.47 2yuf n ILE 74 Ca -0.05 -0.29 -0.09 0.00 1.00 0.00 0.00 62.75 63.32 2yuf n ILE 74 Cb 0.50 -0.82 -0.03 0.00 -0.71 0.00 0.00 39.64 38.58 2yuf n ILE 74 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2yuf n TYR 75 N -2.52 0.00 -4.55 1.39 4.01 -1.26 -5.04 117.16 109.19 2yuf n TYR 75 Ca -0.15 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.35 2yuf n TYR 75 Cb 0.73 -0.45 -0.14 0.00 -0.31 0.00 0.00 39.34 39.18 2yuf n TYR 75 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2yuf s GLY 76 N -4.81 1.05 0.00 2.72 0.00 -1.26 -5.15 107.32 99.87 2yuf s GLY 76 Ca -0.24 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.46 2yuf s GLY 76 CO 0.35 -0.96 0.00 -2.13 0.00 0.00 0.00 173.10 170.36 2yuf n ARG 77 N 1.81 0.76 -0.08 2.90 3.00 -1.26 -4.75 116.66 119.04 2yuf n ARG 77 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.59 2yuf n ARG 77 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.84 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2yuf n PHE 78 N -0.49 0.18 -2.97 -0.14 -1.74 -1.26 -4.93 117.46 106.11 2yuf n PHE 78 Ca 0.00 0.07 -0.40 0.00 -0.56 0.00 0.00 57.45 56.56 2yuf n PHE 78 Cb 0.00 -1.01 -0.06 0.00 1.52 0.00 0.00 39.48 39.94 2yuf n PHE 78 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2yuf s ASP 79 N -5.54 7.32 0.51 5.98 -1.08 -1.26 -5.05 116.67 117.55 2yuf s ASP 79 Ca -0.09 1.57 -0.19 0.00 -0.52 0.00 0.00 52.55 53.33 2yuf s ASP 79 Cb 0.07 -2.49 -0.08 0.00 -1.46 0.00 0.00 42.92 38.96 2yuf s ASP 79 CO 0.83 0.12 1.02 -0.55 0.52 0.00 0.00 175.17 177.12 2yuf s SER 80 N -0.66 6.33 -0.05 -0.34 0.15 -1.26 -4.98 113.70 112.89 2yuf s SER 80 Ca 0.37 1.82 0.11 0.00 0.70 0.00 0.00 55.95 58.94 2yuf s SER 80 Cb -0.22 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.39 2yuf s SER 80 CO 0.25 -0.79 0.17 0.29 1.20 0.00 0.00 173.24 174.37 2yuf n LYS 81 N -1.26 1.03 -2.46 5.44 5.02 -1.26 -5.08 118.16 119.59 2yuf n LYS 81 Ca 0.08 -0.07 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 2yuf n LYS 81 Cb 0.53 -1.27 0.01 0.00 -0.02 0.00 0.00 35.03 34.28 2yuf n LYS 81 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2yuf n ARG 82 N -2.07 -1.76 0.08 1.97 5.12 -1.26 -5.02 116.66 113.72 2yuf n ARG 82 Ca -0.07 1.70 0.00 0.00 -1.93 0.00 0.00 57.85 57.54 2yuf n ARG 82 Cb 0.49 -4.47 0.00 0.00 -1.16 0.00 0.00 32.46 27.32 2yuf n ARG 82 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2yuf n LYS 83 N -0.30 0.00 0.09 5.56 3.00 -1.26 -4.93 118.16 120.32 2yuf n LYS 83 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.32 2yuf n LYS 83 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.33 2yuf n LYS 83 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2yuf h ASP 84 N 0.00 0.13 0.00 3.14 1.82 -2.06 -3.47 116.42 115.97 2yuf h ASP 84 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 2yuf h ASP 84 Cb 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2yuf h ASP 84 CO 0.00 0.93 0.00 0.61 -1.61 0.00 0.00 179.24 179.17 2yuf n GLY 85 N 0.90 1.01 3.52 -0.78 0.00 -1.26 -5.07 105.19 103.51 2yuf n GLY 85 Ca -0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2yuf n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yuf s LYS 86 N -2.59 0.90 -0.48 1.61 2.20 -1.26 -5.13 119.74 115.00 2yuf s LYS 86 Ca 0.00 0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.56 2yuf s LYS 86 Cb 0.00 0.42 0.12 0.00 -1.51 0.00 0.00 37.83 36.87 2yuf s LYS 86 CO 0.00 -0.32 0.33 -1.58 -0.36 0.00 0.00 175.35 173.41 2yuf s HIS 87 N -1.88 3.49 0.29 4.03 2.46 -1.26 -5.02 115.29 117.40 2yuf s HIS 87 Ca -0.04 -2.13 0.00 0.00 0.47 0.00 0.00 55.06 53.36 2yuf s HIS 87 Cb -0.00 -3.40 0.00 0.00 -0.13 0.00 0.00 32.58 29.05 2yuf s HIS 87 CO 0.01 -0.97 0.00 1.28 -2.47 0.00 0.00 174.74 172.58 2yuf n LEU 88 N 4.64 0.00 0.01 8.88 4.77 -1.26 -4.92 117.00 129.12 2yuf n LEU 88 Ca -0.04 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.30 2yuf n LEU 88 Cb 0.41 -3.82 0.00 0.00 -2.33 0.00 0.00 43.42 37.68 2yuf n LEU 88 CO 0.39 -2.66 -0.26 1.07 -1.33 0.00 0.00 177.39 174.59 2yuf n THR 89 N -3.95 0.11 0.04 -5.08 5.66 -1.26 -5.04 114.28 104.76 2yuf n THR 89 Ca 0.01 0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2yuf n THR 89 Cb 0.58 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.23 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 -2.91 -0.74 0.04 1.09 7.94 -1.26 -4.95 117.00 116.20 2yuf n LEU 90 Ca 0.00 0.52 -0.11 0.00 -1.11 0.00 0.00 56.01 55.31 2yuf n LEU 90 Cb 0.26 1.06 -0.06 0.00 0.53 0.00 0.00 43.42 45.21 2yuf n LEU 90 CO 0.00 0.05 0.83 -0.74 -1.11 0.00 0.00 177.39 176.42 2yuf h HIS 91 N 0.00 -0.13 -0.05 1.96 2.76 -1.98 -1.37 115.15 116.34 2yuf h HIS 91 Ca 0.00 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2yuf h HIS 91 Cb 0.00 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 2yuf h HIS 91 CO 0.00 -0.09 0.02 0.93 -1.30 0.00 0.00 177.93 177.49 2yuf h GLU 92 N -0.09 0.06 -0.30 5.26 3.07 -1.98 -2.02 114.58 118.57 2yuf h GLU 92 Ca 0.03 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 2yuf h GLU 92 Cb 0.13 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2yuf h GLU 92 CO -0.07 0.05 -0.27 -0.07 -1.40 0.00 0.00 179.01 177.25 2yuf h LEU 93 N 0.06 0.77 -1.51 1.33 3.38 -1.72 -2.66 115.31 114.97 2yuf h LEU 93 Ca 0.02 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2yuf h LEU 93 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2yuf h LEU 93 CO -0.00 1.07 -0.14 0.74 0.09 0.00 0.00 178.44 180.20 2yuf h THR 94 N 0.47 1.16 -0.16 0.22 2.02 -0.57 -1.78 112.91 114.27 2yuf h THR 94 Ca 0.05 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 2yuf h THR 94 Cb 0.84 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2yuf h THR 94 CO 0.07 0.21 -0.18 0.58 0.37 0.00 0.00 175.52 176.57 2yuf h VAL 95 N 0.14 1.34 -0.08 3.16 2.07 -1.31 0.85 116.25 122.42 2yuf h VAL 95 Ca 0.03 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 2yuf h VAL 95 Cb 0.34 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2yuf h VAL 95 CO 0.02 0.41 -0.27 0.78 0.02 0.00 0.00 177.57 178.53 2yuf h ASN 96 N 0.05 0.13 0.41 0.57 2.35 -1.23 -2.53 115.58 115.34 2yuf h ASN 96 Ca 0.02 -0.04 -0.31 0.00 -0.55 0.00 0.00 56.30 55.42 2yuf h ASN 96 Cb 0.73 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2yuf h ASN 96 CO 0.04 0.41 -1.68 -0.33 -1.65 0.00 0.00 177.43 174.23 2yuf h GLU 97 N 0.12 0.16 -0.66 0.81 4.39 -1.26 -3.30 114.58 114.83 2yuf h GLU 97 Ca 0.02 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2yuf h GLU 97 Cb 0.55 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 2yuf h GLU 97 CO 0.04 0.92 0.42 0.00 -1.16 0.00 0.00 179.01 179.23 2yuf h ALA 98 N 0.59 1.49 -0.65 3.43 0.00 0.88 -1.44 119.26 123.55 2yuf h ALA 98 Ca -0.29 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2yuf h ALA 98 Cb 2.01 -0.27 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 2yuf h ALA 98 CO 0.11 0.46 0.23 0.00 0.00 0.00 0.00 179.25 180.06 2yuf n ALA 99 N -2.44 4.32 -0.13 0.00 0.00 -0.97 -4.20 120.51 117.10 2yuf n ALA 99 Ca 0.07 -2.02 -0.20 0.00 0.00 0.00 0.00 53.44 51.29 2yuf n ALA 99 Cb 0.06 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf n ALA 100 N -0.05 1.40 0.09 0.00 0.00 -0.54 -4.20 120.51 117.21 2yuf n ALA 100 Ca 0.36 -1.11 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 2yuf n ALA 100 Cb 1.26 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 20.54 2yuf n ALA 100 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2yuf h GLN 101 N -0.15 0.24 -0.58 0.00 4.20 -1.73 -3.30 115.11 113.79 2yuf h GLN 101 Ca -0.60 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 57.77 2yuf h GLN 101 Cb 1.86 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.73 2yuf h GLN 101 CO -0.14 1.14 0.36 -0.07 -0.67 0.00 0.00 178.83 179.44 2yuf h LEU 102 N 0.09 0.59 -1.89 1.46 3.38 -1.79 -1.59 115.31 115.55 2yuf h LEU 102 Ca -0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2yuf h LEU 102 Cb 1.83 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2yuf h LEU 102 CO 0.18 0.41 0.06 0.00 0.09 0.00 0.00 178.44 179.19 2yuf h VAL 104 N 0.14 1.17 0.03 0.00 2.07 -1.37 -3.17 116.25 115.12 2yuf h VAL 104 Ca 0.04 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2yuf h VAL 104 Cb -0.01 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2yuf h VAL 104 CO -0.01 0.14 -0.02 0.11 0.02 0.00 0.00 177.57 177.81 2yuf h LYS 105 N -0.13 -0.04 -4.68 1.57 1.79 -1.25 -3.40 116.57 110.42 2yuf h LYS 105 Ca 0.01 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.80 2yuf h LYS 105 Cb 0.21 0.01 -0.34 0.00 -1.58 0.00 0.00 32.23 30.53 2yuf h LYS 105 CO -0.00 0.23 -0.66 0.34 -1.08 0.00 0.00 179.45 178.28 2yuf s ASP 106 N -5.42 5.00 0.49 0.86 -1.08 -0.62 -4.96 116.67 110.94 2yuf s ASP 106 Ca -0.15 -1.53 0.25 0.00 -0.52 0.00 0.00 52.55 50.61 2yuf s ASP 106 Cb 0.03 -1.75 1.25 0.00 -1.46 0.00 0.00 42.92 41.00 2yuf s ASP 106 CO 0.66 -0.35 1.99 0.78 0.52 0.00 0.00 175.17 178.77 2yuf h ASN 107 N 8.00 0.00 0.25 -0.34 -0.26 -1.77 -2.46 115.58 119.00 2yuf h ASN 107 Ca -0.18 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.51 2yuf h ASN 107 Cb 1.06 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.31 2yuf h ASN 107 CO 0.58 0.17 -0.23 0.00 -1.06 0.00 0.00 177.43 176.89 2yuf h ALA 108 N 1.83 1.57 -0.18 -0.83 0.00 -1.93 -2.30 119.26 117.42 2yuf h ALA 108 Ca -0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2yuf h ALA 108 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2yuf h ALA 108 CO 0.02 0.29 0.14 -0.07 0.00 0.00 0.00 179.25 179.64 2yuf h LEU 109 N 0.00 0.00 -1.23 0.00 3.38 -1.74 -1.22 115.31 114.51 2yuf h LEU 109 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2yuf h LEU 109 Cb 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2yuf h LEU 109 CO 0.03 0.00 0.55 -0.07 0.09 0.00 0.00 178.44 179.04 2yuf h LEU 110 N 0.00 0.83 0.04 1.67 3.38 -1.58 -1.90 115.31 117.75 2yuf h LEU 110 Ca 0.09 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 2yuf h LEU 110 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2yuf h LEU 110 CO -0.00 0.53 -1.17 0.71 0.09 0.00 0.00 178.44 178.61 2yuf h THR 111 N 0.94 1.54 -3.16 0.22 1.35 -1.40 -3.42 112.91 108.98 2yuf h THR 111 Ca 0.36 -3.22 -0.68 0.00 -0.55 0.00 0.00 66.41 62.32 2yuf h THR 111 Cb 0.21 2.83 -0.18 0.00 -1.73 0.00 0.00 68.15 69.28 2yuf h THR 111 CO -0.13 0.90 0.10 -0.13 -0.25 0.00 0.00 175.52 176.01 2yuf s ARG 112 N -2.68 3.11 0.00 4.72 0.52 -0.71 -4.89 118.95 119.03 2yuf s ARG 112 Ca -0.02 -0.95 0.03 0.00 -0.52 0.00 0.00 55.73 54.27 2yuf s ARG 112 Cb 0.09 -4.14 -0.25 0.00 0.52 0.00 0.00 34.95 31.17 2yuf s ARG 112 CO 0.84 -1.32 0.85 0.00 0.02 0.00 0.00 175.30 175.69 2yuf h ARG 113 N 9.06 0.13 -0.09 3.54 3.08 -1.82 -3.06 114.38 125.23 2yuf h ARG 113 Ca -0.28 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 2yuf h ARG 113 Cb 1.09 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2yuf h ARG 113 CO 1.00 0.91 -0.16 0.22 -1.07 0.00 0.00 179.97 180.87 2yuf h ASP 114 N 0.03 0.13 0.50 7.04 3.58 -1.93 0.21 116.42 125.98 2yuf h ASP 114 Ca -0.22 -0.02 -0.30 0.00 0.42 0.00 0.00 57.03 56.91 2yuf h ASP 114 Cb 1.97 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.98 2yuf h ASP 114 CO 0.13 0.30 -1.45 -0.08 -2.88 0.00 0.00 179.24 175.26 2yuf h GLU 115 N 0.13 0.26 -0.04 0.28 4.81 -1.93 -3.13 114.58 114.96 2yuf h GLU 115 Ca 0.03 -0.45 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 2yuf h GLU 115 Cb 0.37 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2yuf h GLU 115 CO 0.02 1.15 -0.19 1.25 -0.73 0.00 0.00 179.01 180.51 2yuf h LEU 116 N 0.07 0.24 -1.91 1.64 5.85 -1.38 -2.94 115.31 116.89 2yuf h LEU 116 Ca -0.21 -0.64 -0.00 0.00 0.84 0.00 0.00 57.88 57.86 2yuf h LEU 116 Cb 2.01 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.96 2yuf h LEU 116 CO 0.18 0.85 0.04 0.15 -0.34 0.00 0.00 178.44 179.31 2yuf h PHE 117 N -0.35 0.09 -0.23 1.25 3.57 -0.75 0.34 116.94 120.87 2yuf h PHE 117 Ca -0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2yuf h PHE 117 Cb 0.83 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2yuf h PHE 117 CO 0.14 0.07 -0.16 0.00 -2.23 0.00 0.00 178.31 176.13 2yuf h ALA 118 N 1.94 0.34 0.05 2.41 0.00 -1.53 -2.45 119.26 120.02 2yuf h ALA 118 Ca 0.03 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.33 2yuf h ALA 118 Cb 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.74 2yuf h ALA 118 CO -0.00 0.23 -1.12 -0.07 0.00 0.00 0.00 179.25 178.29 2yuf h LEU 119 N 0.23 0.89 -1.95 0.00 3.38 -1.24 -2.55 115.31 114.07 2yuf h LEU 119 Ca 0.05 -0.78 0.02 0.00 0.09 0.00 0.00 57.88 57.26 2yuf h LEU 119 Cb 0.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2yuf h LEU 119 CO 0.04 1.56 0.08 0.00 0.09 0.00 0.00 178.44 180.22 2yuf h ALA 120 N 0.35 2.03 0.02 1.53 0.00 -0.39 -1.68 119.26 121.11 2yuf h ALA 120 Ca -0.15 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 2yuf h ALA 120 Cb 1.78 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 2yuf h ALA 120 CO 0.22 -0.05 -1.38 -0.09 0.00 0.00 0.00 179.25 177.95 2yuf h ARG 121 N 0.07 0.03 -0.49 0.00 9.65 -1.45 -3.16 114.38 119.02 2yuf h ARG 121 Ca 0.05 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2yuf h ARG 121 Cb 0.13 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2yuf h ARG 121 CO -0.01 0.80 0.26 0.37 2.80 0.00 0.00 179.97 184.20 2yuf h GLN 122 N 0.01 0.68 0.20 0.20 5.75 -0.87 -2.10 115.11 118.97 2yuf h GLN 122 Ca -0.16 -0.07 -0.31 0.00 -0.15 0.00 0.00 58.65 57.96 2yuf h GLN 122 Cb 1.91 -0.14 0.03 0.00 1.07 0.00 0.00 27.48 30.35 2yuf h GLN 122 CO 0.11 0.50 -1.38 0.82 -2.65 0.00 0.00 178.83 176.23 2yuf h ILE 123 N 0.68 1.35 -0.06 2.39 2.04 -1.59 -3.19 117.51 119.13 2yuf h ILE 123 Ca 0.18 -2.78 -0.01 0.00 1.00 0.00 0.00 64.86 63.25 2yuf h ILE 123 Cb 0.03 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2yuf h ILE 123 CO -0.03 0.83 0.01 -1.28 0.00 0.00 0.00 178.15 177.68 2yuf h SER 124 N 0.14 0.07 0.85 1.72 0.87 -1.44 -0.38 113.55 115.38 2yuf h SER 124 Ca -0.21 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.17 2yuf h SER 124 Cb 2.08 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 64.00 2yuf h SER 124 CO 0.25 0.08 -0.82 0.03 -0.53 0.00 0.00 176.83 175.84 2yuf h ARG 125 N 0.08 0.00 0.07 2.24 3.08 -1.44 -3.07 114.38 115.34 2yuf h ARG 125 Ca 0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 2yuf h ARG 125 Cb 0.04 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.11 2yuf h ARG 125 CO -0.00 0.82 -0.80 0.93 -1.07 0.00 0.00 179.97 179.85 2yuf h GLU 126 N 0.00 0.41 -0.09 0.04 5.08 -1.25 -2.98 114.58 115.79 2yuf h GLU 126 Ca -0.01 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2yuf h GLU 126 Cb 1.47 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 2yuf h GLU 126 CO 0.11 1.21 0.05 0.28 -1.00 0.00 0.00 179.01 179.65 2yuf h VAL 127 N -0.12 1.03 0.00 3.13 2.07 -1.19 -1.26 116.25 119.90 2yuf h VAL 127 Ca -0.12 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 2yuf h VAL 127 Cb 1.54 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2yuf h VAL 127 CO 0.15 0.03 -0.72 0.74 0.02 0.00 0.00 177.57 177.79 2yuf h THR 128 N 0.12 1.32 0.15 2.57 2.02 -1.58 -3.36 112.91 114.15 2yuf h THR 128 Ca 0.03 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.55 2yuf h THR 128 Cb -0.01 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2yuf h THR 128 CO -0.01 0.71 -0.10 0.22 0.37 0.00 0.00 175.52 176.71 2yuf h TYR 129 N 0.00 -0.28 -2.60 3.16 3.20 -1.06 -3.38 116.97 116.01 2yuf h TYR 129 Ca -0.01 -0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.32 2yuf h TYR 129 Cb 1.46 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.76 2yuf h TYR 129 CO 0.00 -0.15 1.11 0.21 -1.64 0.00 0.00 178.16 177.69 2yuf s LYS 130 N -3.60 3.20 0.00 1.82 2.20 -1.21 -4.43 119.74 117.71 2yuf s LYS 130 Ca -0.04 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 2yuf s LYS 130 Cb 0.01 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 2yuf s LYS 130 CO 0.12 -2.09 0.00 0.66 -0.36 0.00 0.00 175.35 173.69 2yuf n TYR 131 N 9.83 -0.65 -3.60 4.03 4.01 -1.26 -4.94 117.16 124.57 2yuf n TYR 131 Ca 0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.68 2yuf n TYR 131 Cb 0.49 0.13 -0.07 0.00 -0.31 0.00 0.00 39.34 39.59 2yuf n TYR 131 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2yuf s THR 132 N -0.44 0.02 -0.13 -0.72 -4.23 -1.26 -5.06 115.64 103.82 2yuf s THR 132 Ca 0.00 -0.20 0.12 0.00 -1.18 0.00 0.00 61.69 60.43 2yuf s THR 132 Cb 0.00 -0.88 -0.24 0.00 1.34 0.00 0.00 72.50 72.72 2yuf s THR 132 CO 0.00 -0.11 0.31 0.00 -0.54 0.00 0.00 174.62 174.29 2yuf n TYR 133 N 0.90 0.54 -2.01 3.99 0.18 -1.26 -4.95 117.16 114.55 2yuf n TYR 133 Ca -0.20 0.18 -0.38 0.00 1.88 0.00 0.00 57.90 59.38 2yuf n TYR 133 Cb 0.57 -1.09 0.02 0.00 -0.38 0.00 0.00 39.34 38.46 2yuf n TYR 133 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2yuf s ARG 134 N -2.54 3.42 0.16 -3.48 3.52 -1.26 -5.04 118.95 113.72 2yuf s ARG 134 Ca -0.12 2.01 0.11 0.00 -0.13 0.00 0.00 55.73 57.60 2yuf s ARG 134 Cb 0.07 -2.32 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 2yuf s ARG 134 CO 0.80 -0.89 -0.25 0.99 -0.81 0.00 0.00 175.30 175.14 2yuf s THR 135 N -1.42 2.36 0.75 4.11 2.01 -1.26 -5.13 115.64 117.06 2yuf s THR 135 Ca 0.68 -1.85 -0.13 0.00 0.31 0.00 0.00 61.69 60.71 2yuf s THR 135 Cb -0.35 -2.08 0.05 0.00 0.01 0.00 0.00 72.50 70.13 2yuf s THR 135 CO 0.41 0.01 1.13 -0.89 -0.69 0.00 0.00 174.62 174.59 2yuf s THR 136 N -1.32 2.87 0.41 -0.82 2.01 -1.26 -5.06 115.64 112.47 2yuf s THR 136 Ca 0.17 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2yuf s THR 136 Cb -0.09 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.64 2yuf s THR 136 CO 0.08 -0.31 0.00 -1.54 -0.69 0.00 0.00 174.62 172.17 2yuf n SER 137 N -3.14 3.10 -4.23 3.53 3.41 -1.26 -5.17 113.62 109.85 2yuf n SER 137 Ca 0.11 -2.81 -0.13 0.00 -0.26 0.00 0.00 58.87 55.78 2yuf n SER 137 Cb 0.52 0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.67 2yuf n SER 137 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yuf s GLY 138 N -3.27 1.42 0.72 5.00 0.00 -1.26 -5.16 107.32 104.77 2yuf s GLY 138 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 44.72 42.93 2yuf s GLY 138 CO 0.00 -1.48 0.35 -1.05 0.00 0.00 0.00 173.10 170.93 2yuf n PRO 139 N -0.30 -1.63 -2.59 2.90 -0.02 -1.26 -4.77 135.00 127.34 2yuf n PRO 139 Ca -0.01 -0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 60.45 2yuf n PRO 139 Cb 0.65 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 2yuf n PRO 139 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2yuf n SER 140 N -2.24 4.94 -0.02 2.55 7.64 -1.26 -4.54 113.62 120.68 2yuf n SER 140 Ca 0.06 -2.92 -0.06 0.00 1.01 0.00 0.00 58.87 56.96 2yuf n SER 140 Cb 0.24 -1.74 -0.02 0.00 -1.01 0.00 0.00 64.21 61.68 2yuf n SER 140 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuf n SER 141 N 8.18 1.22 0.00 6.43 7.64 -1.26 -5.38 113.62 130.45 2yuf n SER 141 Ca 0.48 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2yuf n SER 141 Cb 0.46 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64