#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 2.52 -0.44 1.61 0.01 -1.26 -5.08 113.70 111.05 2yuf s SER 2 Ca 0.00 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.48 2yuf s SER 2 Cb 0.00 -0.07 0.14 0.00 0.21 0.00 0.00 66.02 66.29 2yuf s SER 2 CO 0.00 -0.38 0.25 -0.44 0.41 0.00 0.00 173.24 173.07 2yuf s SER 3 N 2.19 3.64 0.00 2.44 0.01 -1.26 -5.04 113.70 115.68 2yuf s SER 3 Ca 0.06 -2.66 0.00 0.00 1.31 0.00 0.00 55.95 54.66 2yuf s SER 3 Cb -0.16 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.03 2yuf s SER 3 CO -0.23 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2yuf n GLY 4 N 3.50 0.49 3.41 3.44 0.00 -1.26 -5.02 105.19 109.75 2yuf n GLY 4 Ca 0.09 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 2.26 -0.08 1.61 7.64 -1.26 -5.06 113.62 118.74 2yuf n SER 5 Ca 0.00 -2.54 -0.11 0.00 1.01 0.00 0.00 58.87 57.23 2yuf n SER 5 Cb 0.00 -0.18 -0.15 0.00 -1.01 0.00 0.00 64.21 62.87 2yuf n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuf n SER 6 N -2.09 0.60 0.00 6.43 7.64 -1.26 -5.09 113.62 119.85 2yuf n SER 6 Ca 0.05 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2yuf n SER 6 Cb 0.54 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 2yuf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 7 N 1.77 3.02 3.24 0.23 0.00 -1.26 -5.16 105.19 107.02 2yuf n GLY 7 Ca -0.30 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -5.01 0.87 -0.02 1.61 2.02 -1.26 -5.10 118.70 111.82 2yuf s GLU 8 Ca 0.00 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.15 2yuf s GLU 8 Cb 0.00 0.37 -0.03 0.00 0.10 0.00 0.00 34.13 34.57 2yuf s GLU 8 CO 0.00 -0.29 -0.15 0.00 0.02 0.00 0.00 175.26 174.84 2yuf n ALA 9 N 0.13 2.04 -0.68 5.21 0.00 -1.26 -5.06 120.51 120.89 2yuf n ALA 9 Ca -0.16 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 2yuf n ALA 9 Cb 0.62 0.15 0.27 0.00 0.00 0.00 0.00 19.45 20.48 2yuf n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yuf s LEU 10 N -7.29 -0.22 0.00 0.00 1.43 -1.26 -5.05 118.68 106.28 2yuf s LEU 10 Ca -0.12 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 53.77 2yuf s LEU 10 Cb 0.02 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.92 2yuf s LEU 10 CO 0.18 -4.77 0.56 0.47 0.23 0.00 0.00 176.35 173.02 2yuf n ASP 11 N -5.23 0.57 0.04 2.29 9.92 -1.26 -4.82 116.55 118.06 2yuf n ASP 11 Ca 0.12 -1.52 -0.07 0.00 -0.53 0.00 0.00 54.79 52.79 2yuf n ASP 11 Cb 0.59 -0.38 0.10 0.00 -0.64 0.00 0.00 41.12 40.79 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yuf h ALA 12 N -0.83 0.80 0.00 2.24 0.00 -1.98 -1.40 119.26 118.09 2yuf h ALA 12 Ca -0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 2yuf h ALA 12 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2yuf h ALA 12 CO 0.18 0.69 -0.01 0.00 0.00 0.00 0.00 179.25 180.11 2yuf h ALA 13 N 1.09 -0.00 -0.19 0.00 0.00 -1.99 -2.97 119.26 115.21 2yuf h ALA 13 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2yuf h ALA 13 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2yuf h ALA 13 CO 0.09 -0.02 0.11 0.00 0.00 0.00 0.00 179.25 179.44 2yuf h ALA 14 N 0.06 0.23 -0.28 0.00 0.00 -1.95 -1.69 119.26 115.63 2yuf h ALA 14 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yuf h ALA 14 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2yuf h ALA 14 CO 0.00 -0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.14 2yuf h ALA 15 N 1.08 1.81 -0.38 0.00 0.00 -1.39 -2.04 119.26 118.33 2yuf h ALA 15 Ca 0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2yuf h ALA 15 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2yuf h ALA 15 CO -0.03 0.18 -0.36 -0.07 0.00 0.00 0.00 179.25 178.97 2yuf h LEU 16 N 0.37 0.97 -0.07 0.00 3.38 -1.23 -1.19 115.31 117.55 2yuf h LEU 16 Ca 0.10 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2yuf h LEU 16 Cb -0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2yuf h LEU 16 CO -0.02 1.24 0.04 -1.28 0.09 0.00 0.00 178.44 178.51 2yuf h SER 17 N 0.73 0.08 -0.53 -0.43 0.87 -0.62 -0.77 113.55 112.88 2yuf h SER 17 Ca 0.06 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 2yuf h SER 17 Cb 0.96 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2yuf h SER 17 CO 0.09 0.08 -0.02 0.58 -0.53 0.00 0.00 176.83 177.03 2yuf h VAL 18 N 0.08 1.27 -0.26 2.23 2.07 -1.47 -0.52 116.25 119.64 2yuf h VAL 18 Ca 0.03 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 2yuf h VAL 18 Cb 0.01 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2yuf h VAL 18 CO -0.01 0.40 0.09 0.00 0.02 0.00 0.00 177.57 178.08 2yuf h ALA 19 N 0.94 1.68 0.03 1.67 0.00 -1.01 0.39 119.26 122.96 2yuf h ALA 19 Ca 0.15 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 2yuf h ALA 19 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2yuf h ALA 19 CO 0.03 0.25 -1.24 0.93 0.00 0.00 0.00 179.25 179.23 2yuf h GLU 20 N 0.36 0.06 0.02 0.00 5.08 -0.87 -3.24 114.58 115.98 2yuf h GLU 20 Ca 0.09 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2yuf h GLU 20 Cb 0.10 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2yuf h GLU 20 CO -0.01 0.93 -0.38 0.00 -1.00 0.00 0.00 179.01 178.55 2yuf h VAL 22 N -0.45 0.80 0.00 0.00 3.04 -0.38 0.29 116.25 119.54 2yuf h VAL 22 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2yuf h VAL 22 Cb 1.17 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2yuf h VAL 22 CO 0.07 0.00 -0.58 -0.33 -1.01 0.00 0.00 177.57 175.72 2yuf h GLU 23 N 0.00 0.00 0.05 4.17 5.08 -1.59 -2.98 114.58 119.32 2yuf h GLU 23 Ca 0.17 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.26 2yuf h GLU 23 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2yuf h GLU 23 CO -0.00 0.00 -1.46 -0.09 -1.00 0.00 0.00 179.01 176.46 2yuf h ARG 24 N 0.00 0.11 0.00 2.33 2.43 -0.42 -3.37 114.38 115.47 2yuf h ARG 24 Ca 0.00 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 2yuf h ARG 24 Cb 0.92 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2yuf h ARG 24 CO 0.00 1.09 -0.39 0.00 -1.51 0.00 0.00 179.97 179.17 2yuf h MET 25 N -0.59 0.00 0.54 0.20 -0.00 -0.74 -3.14 114.93 111.20 2yuf h MET 25 Ca -0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.33 2yuf h MET 25 Cb 1.57 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.16 2yuf h MET 25 CO -0.08 0.39 -0.43 0.00 -0.00 0.00 0.00 176.91 176.79 2yuf h ALA 26 N 1.61 -1.15 -0.81 -3.00 0.00 -1.68 0.40 119.26 114.63 2yuf h ALA 26 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2yuf h ALA 26 Cb 0.83 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2yuf h ALA 26 CO 0.05 -1.15 0.53 -1.00 0.00 0.00 0.00 179.25 177.68 2yuf h PRO 27 N -0.94 1.05 0.00 0.00 0.13 -1.72 -2.14 132.00 128.38 2yuf h PRO 27 Ca -0.07 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 2yuf h PRO 27 Cb 0.79 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2yuf h PRO 27 CO 0.01 0.69 -0.39 1.79 -0.23 0.00 0.00 178.00 179.87 2yuf h THR 28 N 1.08 1.26 -4.22 1.56 1.35 -1.48 -3.44 112.91 109.01 2yuf h THR 28 Ca 0.30 -1.34 -0.52 0.00 -0.55 0.00 0.00 66.41 64.30 2yuf h THR 28 Cb -0.10 1.73 0.13 0.00 -1.73 0.00 0.00 68.15 68.17 2yuf h THR 28 CO -0.07 0.38 0.35 -0.76 -0.25 0.00 0.00 175.52 175.17 2yuf s LEU 29 N -8.09 3.25 0.00 3.87 1.43 0.14 -5.01 118.68 114.27 2yuf s LEU 29 Ca -0.03 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 2yuf s LEU 29 Cb 0.14 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 41.98 2yuf s LEU 29 CO 0.73 -2.00 0.40 -2.65 0.23 0.00 0.00 176.35 173.05 2yuf n PRO 30 N -2.89 -1.85 -4.41 1.29 -0.02 -1.26 -4.96 135.00 120.90 2yuf n PRO 30 Ca 0.11 -0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 60.59 2yuf n PRO 30 Cb 0.52 -1.13 -0.15 0.00 -0.02 0.00 0.00 33.50 32.72 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 -3.36 3.29 -0.16 -0.52 -0.14 -1.26 -4.99 119.74 112.60 2yuf s LYS 31 Ca 0.31 -0.70 -0.08 0.00 -1.36 0.00 0.00 55.97 54.13 2yuf s LYS 31 Cb -0.05 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 2yuf s LYS 31 CO 0.26 0.01 0.13 -1.12 -0.76 0.00 0.00 175.35 173.86 2yuf s SER 32 N 0.88 6.22 -0.08 2.83 0.01 -1.26 -5.08 113.70 117.21 2yuf s SER 32 Ca -0.03 0.32 -0.24 0.00 1.31 0.00 0.00 55.95 57.31 2yuf s SER 32 Cb -0.15 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2yuf s SER 32 CO -0.00 0.28 0.73 -1.81 0.41 0.00 0.00 173.24 172.85 2yuf s ASP 33 N -0.27 6.99 0.17 2.44 1.11 -1.26 -4.95 116.67 120.89 2yuf s ASP 33 Ca 0.11 1.19 0.05 0.00 0.18 0.00 0.00 52.55 54.08 2yuf s ASP 33 Cb -0.12 -2.42 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 2yuf s ASP 33 CO 0.01 -0.17 1.39 -0.07 1.18 0.00 0.00 175.17 177.51 2yuf h LEU 34 N 7.03 0.13 -1.47 1.23 3.38 -1.99 -3.18 115.31 120.45 2yuf h LEU 34 Ca -0.39 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 2yuf h LEU 34 Cb 1.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2yuf h LEU 34 CO 0.76 0.94 -0.15 -1.13 0.09 0.00 0.00 178.44 178.96 2yuf h ASN 35 N 0.05 0.15 -0.00 -0.43 -0.73 -1.98 0.24 115.58 112.88 2yuf h ASN 35 Ca -0.03 -0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.11 2yuf h ASN 35 Cb 1.52 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 40.07 2yuf h ASN 35 CO 0.12 0.32 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.17 2yuf h GLU 36 N 0.16 0.01 -0.01 6.67 5.08 -1.97 -2.64 114.58 121.88 2yuf h GLU 36 Ca 0.03 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2yuf h GLU 36 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2yuf h GLU 36 CO 0.02 0.61 -0.52 -0.39 -1.00 0.00 0.00 179.01 177.74 2yuf h VAL 37 N -0.59 1.37 -0.17 3.13 -1.51 -1.51 -3.03 116.25 113.94 2yuf h VAL 37 Ca -0.00 -1.77 -0.02 0.00 -1.23 0.00 0.00 66.70 63.68 2yuf h VAL 37 Cb 0.62 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 2yuf h VAL 37 CO 0.00 0.51 0.03 0.11 -1.23 0.00 0.00 177.57 176.99 2yuf h LYS 38 N 0.02 0.28 -0.39 5.19 1.57 -0.57 -2.85 116.57 119.83 2yuf h LYS 38 Ca -0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2yuf h LYS 38 Cb 0.92 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 2yuf h LYS 38 CO 0.07 0.45 0.24 0.93 -0.57 0.00 0.00 179.45 180.56 2yuf h GLU 39 N 0.08 0.52 -0.65 3.15 5.08 -1.43 -1.76 114.58 119.56 2yuf h GLU 39 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2yuf h GLU 39 Cb 0.30 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2yuf h GLU 39 CO 0.00 0.36 0.42 -0.07 -1.00 0.00 0.00 179.01 178.72 2yuf h LEU 40 N 0.53 0.76 -0.68 1.33 3.38 -1.39 -1.69 115.31 117.56 2yuf h LEU 40 Ca 0.14 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 2yuf h LEU 40 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2yuf h LEU 40 CO -0.03 0.56 -0.66 -0.07 0.09 0.00 0.00 178.44 178.34 2yuf h LEU 41 N 0.89 0.03 -1.60 1.67 3.38 -1.22 -2.54 115.31 115.92 2yuf h LEU 41 Ca 0.24 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2yuf h LEU 41 Cb -0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2yuf h LEU 41 CO -0.05 0.68 -0.15 0.11 0.09 0.00 0.00 178.44 179.12 2yuf h LYS 42 N 0.02 0.07 0.03 1.13 6.56 -1.04 -2.66 116.57 120.68 2yuf h LYS 42 Ca -0.01 -0.01 -0.28 0.00 -1.06 0.00 0.00 60.65 59.29 2yuf h LYS 42 Cb 1.16 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.78 2yuf h LYS 42 CO 0.09 0.22 -1.54 1.79 -2.06 0.00 0.00 179.45 177.95 2yuf h THR 43 N 0.07 1.08 -3.31 -0.16 1.35 -1.40 -3.46 112.91 107.08 2yuf h THR 43 Ca 0.01 -2.85 -0.53 0.00 -0.55 0.00 0.00 66.41 62.50 2yuf h THR 43 Cb 0.31 2.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.29 2yuf h THR 43 CO 0.02 0.69 -0.13 0.21 -0.25 0.00 0.00 175.52 176.06 2yuf s ASN 44 N -6.46 6.51 -0.10 5.36 3.84 -0.97 -5.01 114.94 118.10 2yuf s ASN 44 Ca -0.06 0.80 0.08 0.00 0.21 0.00 0.00 52.86 53.89 2yuf s ASN 44 Cb 0.08 -2.18 -0.12 0.00 -0.55 0.00 0.00 41.25 38.48 2yuf s ASN 44 CO 0.82 -0.16 0.01 2.29 -2.79 0.00 0.00 177.10 177.28 2yuf n LYS 45 N -0.65 2.03 0.03 0.43 0.00 -1.26 -4.30 118.16 114.44 2yuf n LYS 45 Ca -0.01 0.01 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 2yuf n LYS 45 Cb 0.53 -1.26 -0.14 0.00 -0.00 0.00 0.00 35.03 34.16 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 0.26 -0.23 -1.58 1.57 -1.95 -3.17 116.57 111.47 2yuf h LYS 46 Ca -0.28 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.05 2yuf h LYS 46 Cb 1.60 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 2yuf h LYS 46 CO 0.01 1.20 0.04 -0.07 -0.57 0.00 0.00 179.45 180.06 2yuf h LEU 47 N -0.45 0.30 -1.04 2.94 3.38 -1.92 -0.07 115.31 118.43 2yuf h LEU 47 Ca -0.12 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2yuf h LEU 47 Cb 1.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2yuf h LEU 47 CO 0.13 0.32 -0.46 0.00 0.09 0.00 0.00 178.44 178.52 2yuf h ALA 48 N 1.73 1.17 0.00 1.53 0.00 -1.75 -1.71 119.26 120.22 2yuf h ALA 48 Ca 0.08 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 2yuf h ALA 48 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2yuf h ALA 48 CO -0.00 0.58 -1.29 0.87 0.00 0.00 0.00 179.25 179.41 2yuf h LYS 49 N 0.00 0.00 0.10 0.00 1.57 -1.28 -2.02 116.57 114.94 2yuf h LYS 49 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2yuf h LYS 49 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2yuf h LYS 49 CO 0.06 0.55 -0.05 1.98 -0.57 0.00 0.00 179.45 181.42 2yuf h MET 50 N 0.00 -0.12 -0.41 3.15 4.05 -0.90 -3.42 114.93 117.28 2yuf h MET 50 Ca -0.15 0.01 -0.30 0.00 -0.28 0.00 0.00 59.70 58.98 2yuf h MET 50 Cb 1.74 0.03 -0.35 0.00 -0.80 0.00 0.00 31.60 32.23 2yuf h MET 50 CO 0.08 -0.08 -0.91 0.44 0.23 0.00 0.00 176.91 176.67 2yuf n ILE 51 N -3.27 1.66 -0.08 1.77 -5.35 -0.68 -4.82 119.36 108.58 2yuf n ILE 51 Ca -0.02 -3.13 -0.23 0.00 -0.27 0.00 0.00 62.75 59.11 2yuf n ILE 51 Cb 0.05 0.17 -0.12 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.55 -0.60 0.26 3.28 0.00 -0.77 -4.09 105.19 102.71 2yuf n GLY 52 Ca 0.22 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.51 0.00 -0.61 1.61 2.07 -1.83 -2.04 115.15 113.84 2yuf h HIS 53 Ca -0.48 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 56.96 2yuf h HIS 53 Cb 1.69 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.64 2yuf h HIS 53 CO 0.04 0.03 0.07 0.82 -3.07 0.00 0.00 177.93 175.82 2yuf h ILE 54 N 0.00 1.26 0.09 6.12 2.04 -1.90 -0.67 117.51 124.44 2yuf h ILE 54 Ca -0.00 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2yuf h ILE 54 Cb 0.06 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2yuf h ILE 54 CO 0.00 0.38 -0.04 -0.26 0.00 0.00 0.00 178.15 178.24 2yuf h PHE 55 N 0.93 -0.11 0.00 1.37 0.04 -1.52 -2.53 116.94 115.12 2yuf h PHE 55 Ca 0.18 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.88 2yuf h PHE 55 Cb 0.47 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2yuf h PHE 55 CO 0.03 -0.05 -0.31 0.93 -0.60 0.00 0.00 178.31 178.32 2yuf h GLU 56 N -0.14 0.00 -6.90 1.51 5.08 -1.48 -3.44 114.58 109.21 2yuf h GLU 56 Ca -0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 2yuf h GLU 56 Cb 0.11 0.00 0.21 0.00 0.50 0.00 0.00 28.75 29.57 2yuf h GLU 56 CO 0.02 0.31 -0.19 -0.12 -1.00 0.00 0.00 179.01 178.03 2yuf n MET 57 N -4.12 -3.78 -0.29 2.33 1.56 -0.27 -5.03 117.12 107.53 2yuf n MET 57 Ca -0.02 -1.11 -0.03 0.00 -0.27 0.00 0.00 57.70 56.28 2yuf n MET 57 Cb 0.36 -1.95 0.02 0.00 2.15 0.00 0.00 33.22 33.80 2yuf n MET 57 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2yuf n ASN 58 N -4.96 0.03 -0.07 6.12 4.05 -1.26 -5.00 115.26 114.17 2yuf n ASN 58 Ca 0.08 -1.06 -0.07 0.00 0.45 0.00 0.00 54.58 53.98 2yuf n ASN 58 Cb 0.56 -0.09 -0.10 0.00 1.23 0.00 0.00 39.78 41.38 2yuf n ASN 58 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2yuf n ASP 59 N -3.07 1.79 -1.97 1.20 -0.08 -1.26 -4.51 116.55 108.66 2yuf n ASP 59 Ca 0.02 -0.01 -0.20 0.00 -1.51 0.00 0.00 54.79 53.09 2yuf n ASP 59 Cb 0.06 0.70 0.17 0.00 2.34 0.00 0.00 41.12 44.39 2yuf n ASP 59 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2yuf n ASP 60 N -2.56 3.74 -4.73 1.67 8.00 -1.26 -4.97 116.55 116.45 2yuf n ASP 60 Ca -0.23 -3.68 -0.39 0.00 0.71 0.00 0.00 54.79 51.20 2yuf n ASP 60 Cb 0.93 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yuf s ASP 61 N -1.70 6.96 0.19 -2.24 -1.08 -1.26 -4.98 116.67 112.56 2yuf s ASP 61 Ca 0.54 1.15 -0.12 0.00 -0.52 0.00 0.00 52.55 53.60 2yuf s ASP 61 Cb 0.46 -2.39 0.20 0.00 -1.46 0.00 0.00 42.92 39.74 2yuf s ASP 61 CO 0.07 -0.06 1.73 -0.65 0.52 0.00 0.00 175.17 176.78 2yuf h PRO 62 N 6.50 0.29 -0.04 4.34 0.11 -1.98 -0.13 132.00 141.08 2yuf h PRO 62 Ca -0.42 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.69 2yuf h PRO 62 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2yuf h PRO 62 CO 0.74 0.19 0.05 0.45 -0.21 0.00 0.00 178.00 179.22 2yuf h HIS 63 N 0.30 0.00 -0.89 0.65 3.86 -2.00 -1.86 115.15 115.21 2yuf h HIS 63 Ca 0.26 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.57 2yuf h HIS 63 Cb 0.32 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 2yuf h HIS 63 CO -0.20 0.00 0.57 -0.22 0.86 0.00 0.00 177.93 178.94 2yuf h LYS 64 N 0.00 0.83 -0.11 2.45 3.64 -1.39 0.34 116.57 122.33 2yuf h LYS 64 Ca 0.02 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2yuf h LYS 64 Cb 0.11 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2yuf h LYS 64 CO -0.00 0.55 -0.29 0.93 -2.27 0.00 0.00 179.45 178.38 2yuf h GLU 65 N 0.86 0.40 -0.63 1.90 5.08 -1.42 -2.43 114.58 118.33 2yuf h GLU 65 Ca 0.41 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2yuf h GLU 65 Cb 0.44 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2yuf h GLU 65 CO -0.18 0.88 0.15 0.93 -1.00 0.00 0.00 179.01 179.79 2yuf h GLU 66 N -0.03 1.02 0.36 2.33 5.08 -1.42 0.11 114.58 122.03 2yuf h GLU 66 Ca -0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2yuf h GLU 66 Cb 0.89 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2yuf h GLU 66 CO 0.06 0.92 -0.17 0.93 -1.00 0.00 0.00 179.01 179.75 2yuf h GLU 67 N 0.93 -0.47 -0.67 2.33 4.39 -0.38 -1.24 114.58 119.48 2yuf h GLU 67 Ca 0.20 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.87 2yuf h GLU 67 Cb 0.37 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2yuf h GLU 67 CO 0.00 -0.26 0.19 0.82 -1.16 0.00 0.00 179.01 178.60 2yuf h ILE 68 N -0.56 1.26 -0.12 3.13 2.04 -1.40 -2.44 117.51 119.41 2yuf h ILE 68 Ca -0.05 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2yuf h ILE 68 Cb 0.42 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2yuf h ILE 68 CO 0.08 0.35 0.06 0.03 0.00 0.00 0.00 178.15 178.67 2yuf h ARG 69 N 0.98 0.15 0.39 2.37 3.08 -0.67 0.76 114.38 121.45 2yuf h ARG 69 Ca 0.21 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2yuf h ARG 69 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2yuf h ARG 69 CO -0.00 0.12 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.61 2yuf h LYS 70 N 0.16 -0.51 -0.20 0.04 3.64 -0.73 -3.30 116.57 115.67 2yuf h LYS 70 Ca 0.04 0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 2yuf h LYS 70 Cb 0.01 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2yuf h LYS 70 CO -0.01 -0.20 -0.57 1.88 -2.27 0.00 0.00 179.45 178.29 2yuf h TYR 71 N -0.85 0.97 -0.38 1.91 -1.99 -1.35 -3.39 116.97 111.89 2yuf h TYR 71 Ca -0.05 -0.38 -0.19 0.00 2.00 0.00 0.00 58.73 60.11 2yuf h TYR 71 Cb 0.54 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 2yuf h TYR 71 CO 0.02 1.19 0.58 -1.12 -0.00 0.00 0.00 178.16 178.82 2yuf s SER 72 N -6.87 4.41 -0.47 3.88 0.01 0.26 -4.62 113.70 110.30 2yuf s SER 72 Ca -0.11 -1.10 0.04 0.00 1.31 0.00 0.00 55.95 56.09 2yuf s SER 72 Cb 0.08 -2.58 0.20 0.00 0.21 0.00 0.00 66.02 63.93 2yuf s SER 72 CO 0.87 -3.66 0.85 0.00 0.41 0.00 0.00 173.24 171.71 2yuf n ALA 73 N 16.50 -2.31 0.14 1.44 0.00 -1.26 -4.73 120.51 130.28 2yuf n ALA 73 Ca 0.43 -0.80 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 2yuf n ALA 73 Cb 0.46 -1.93 0.18 0.00 0.00 0.00 0.00 19.45 18.16 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 4.11 1.43 -3.77 0.00 2.04 -1.87 -3.40 117.51 116.05 2yuf h ILE 74 Ca 0.01 -2.07 -0.67 0.00 1.00 0.00 0.00 64.86 63.13 2yuf h ILE 74 Cb 1.12 2.12 -0.38 0.00 -0.74 0.00 0.00 36.82 38.94 2yuf h ILE 74 CO 0.01 0.59 -0.75 -0.31 0.00 0.00 0.00 178.15 177.70 2yuf s TYR 75 N -3.64 3.48 -0.03 1.37 1.51 -1.26 -5.04 117.35 113.74 2yuf s TYR 75 Ca -0.01 -2.57 0.00 0.00 -1.01 0.00 0.00 57.07 53.47 2yuf s TYR 75 Cb 0.13 -2.40 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 2yuf s TYR 75 CO 0.76 -0.91 0.00 0.41 -1.11 0.00 0.00 175.55 174.71 2yuf n GLY 76 N 4.38 0.48 0.00 0.71 0.00 -1.26 -4.92 105.19 104.58 2yuf n GLY 76 Ca -0.06 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.67 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 0.00 2.57 -0.09 1.61 3.00 -1.26 -5.04 116.66 117.46 2yuf n ARG 77 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 2yuf n ARG 77 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 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 -0.14 0.00 -1.79 -0.14 -1.74 -1.26 -4.94 117.46 107.45 2yuf n PHE 78 Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 2yuf n PHE 78 Cb 0.00 -0.80 -0.03 0.00 1.52 0.00 0.00 39.48 40.17 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 -5.29 6.33 -0.41 5.98 2.15 -1.26 -4.92 116.67 119.25 2yuf s ASP 79 Ca -0.14 2.33 0.05 0.00 0.43 0.00 0.00 52.55 55.22 2yuf s ASP 79 Cb 0.05 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.34 2yuf s ASP 79 CO 0.61 -1.20 0.40 -1.20 -0.17 0.00 0.00 175.17 173.61 2yuf n SER 80 N 8.23 -0.35 -0.03 -0.34 7.64 -1.26 -4.76 113.62 122.75 2yuf n SER 80 Ca 0.21 -2.47 -0.03 0.00 1.01 0.00 0.00 58.87 57.59 2yuf n SER 80 Cb 0.43 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 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 2.44 1.02 0.11 1.43 4.76 -1.26 -4.98 118.16 121.68 2yuf n LYS 81 Ca 0.27 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 2yuf n LYS 81 Cb 0.50 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 2yuf n LYS 81 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2yuf n ARG 82 N -2.52 0.00 -2.29 1.97 1.74 -1.26 -5.13 116.66 109.17 2yuf n ARG 82 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 2yuf n ARG 82 Cb 0.61 -0.18 0.04 0.00 -1.02 0.00 0.00 32.46 31.92 2yuf n ARG 82 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2yuf n LYS 83 N -3.47 0.74 0.02 5.56 2.85 -1.26 -5.08 118.16 117.53 2yuf n LYS 83 Ca 0.00 -2.04 0.00 0.00 -1.05 0.00 0.00 58.31 55.22 2yuf n LYS 83 Cb 0.00 -0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 2yuf n LYS 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2yuf n ASP 84 N -2.56 0.07 0.00 -5.58 9.92 -1.26 -4.60 116.55 112.53 2yuf n ASP 84 Ca 0.11 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2yuf n ASP 84 Cb 0.39 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 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 2.11 0.44 2.46 0.44 0.00 -1.26 -4.49 105.19 104.89 2yuf n GLY 85 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.07 -0.03 1.61 4.81 -1.26 -4.85 118.16 116.37 2yuf n LYS 86 Ca 0.00 0.91 -0.04 0.00 -0.87 0.00 0.00 58.31 58.32 2yuf n LYS 86 Cb 0.00 -5.50 -0.03 0.00 0.02 0.00 0.00 35.03 29.52 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 -4.09 0.00 -0.80 5.64 8.25 -1.26 -5.05 115.22 117.91 2yuf n HIS 87 Ca -0.21 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.95 2yuf n HIS 87 Cb 0.66 -0.22 0.17 0.00 1.12 0.00 0.00 29.99 31.72 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 -5.11 2.54 0.00 2.41 1.43 -1.26 -4.98 118.68 113.70 2yuf s LEU 88 Ca -0.06 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2yuf s LEU 88 Cb 0.02 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 41.89 2yuf s LEU 88 CO 0.14 -3.07 0.00 1.07 0.23 0.00 0.00 176.35 174.72 2yuf n THR 89 N -4.20 0.00 0.12 5.49 5.66 -1.26 -5.01 114.28 115.08 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 0.53 -0.48 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 -2.30 -2.16 0.11 1.09 7.94 -1.26 -4.93 117.00 115.49 2yuf n LEU 90 Ca 0.00 0.70 -0.13 0.00 -1.11 0.00 0.00 56.01 55.47 2yuf n LEU 90 Cb 0.08 2.24 -0.07 0.00 0.53 0.00 0.00 43.42 46.20 2yuf n LEU 90 CO 0.00 0.16 0.82 -0.74 -1.11 0.00 0.00 177.39 176.52 2yuf h HIS 91 N 0.00 -0.18 -0.10 1.96 2.76 -1.98 -0.46 115.15 117.16 2yuf h HIS 91 Ca 0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2yuf h HIS 91 Cb 0.00 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 2yuf h HIS 91 CO 0.00 -0.11 -0.02 0.93 -1.30 0.00 0.00 177.93 177.43 2yuf h GLU 92 N -0.18 0.13 -0.28 5.26 5.08 -1.97 -2.28 114.58 120.34 2yuf h GLU 92 Ca -0.02 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2yuf h GLU 92 Cb 0.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2yuf h GLU 92 CO 0.03 0.17 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.60 2yuf h LEU 93 N 0.13 0.95 0.05 1.33 3.38 -1.78 -2.90 115.31 116.48 2yuf h LEU 93 Ca 0.03 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2yuf h LEU 93 Cb 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2yuf h LEU 93 CO 0.00 1.31 -0.03 0.74 0.09 0.00 0.00 178.44 180.56 2yuf h THR 94 N 0.63 0.96 -0.06 0.22 2.02 -0.53 -2.22 112.91 113.93 2yuf h THR 94 Ca 0.01 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2yuf h THR 94 Cb 1.15 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2yuf h THR 94 CO 0.12 0.01 0.05 0.58 0.37 0.00 0.00 175.52 176.64 2yuf h VAL 95 N -0.09 0.79 -0.74 3.16 2.07 -1.52 0.73 116.25 120.65 2yuf h VAL 95 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2yuf h VAL 95 Cb 0.07 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2yuf h VAL 95 CO 0.01 0.00 0.40 -1.13 0.02 0.00 0.00 177.57 176.87 2yuf h ASN 96 N 0.00 0.92 0.00 0.57 -0.73 -1.18 -2.40 115.58 112.76 2yuf h ASN 96 Ca 0.03 -0.07 -0.37 0.00 1.87 0.00 0.00 56.30 57.75 2yuf h ASN 96 Cb 0.12 -0.23 -0.07 0.00 0.27 0.00 0.00 38.32 38.41 2yuf h ASN 96 CO -0.00 0.74 -2.40 -0.62 -0.37 0.00 0.00 177.43 174.78 2yuf n GLU 97 N -4.36 0.68 0.20 6.67 4.71 -0.65 -3.60 120.64 124.30 2yuf n GLU 97 Ca 0.07 0.02 0.11 0.00 -0.01 0.00 0.00 57.16 57.36 2yuf n GLU 97 Cb 0.10 -1.52 0.67 0.00 -1.01 0.00 0.00 31.44 29.68 2yuf n GLU 97 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yuf h ALA 98 N 0.82 2.09 0.00 0.62 0.00 0.46 -0.53 119.26 122.74 2yuf h ALA 98 Ca -0.55 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.03 2yuf h ALA 98 Cb 2.19 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.93 2yuf h ALA 98 CO 0.01 -0.16 -1.95 0.00 0.00 0.00 0.00 179.25 177.15 2yuf n ALA 99 N -2.55 1.47 -0.12 0.00 0.00 -0.91 -3.63 120.51 114.78 2yuf n ALA 99 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 53.44 52.38 2yuf n ALA 99 Cb 0.21 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf h ALA 100 N 0.95 0.48 -0.03 0.00 0.00 -1.45 -1.88 119.26 117.32 2yuf h ALA 100 Ca -0.38 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2yuf h ALA 100 Cb 2.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2yuf h ALA 100 CO 0.06 0.28 -0.51 1.96 0.00 0.00 0.00 179.25 181.05 2yuf h GLN 101 N 0.44 0.08 -0.09 0.00 4.20 -1.30 -2.79 115.11 115.66 2yuf h GLN 101 Ca 0.09 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 2yuf h GLN 101 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2yuf h GLN 101 CO 0.03 0.58 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.12 2yuf h LEU 102 N 0.07 0.31 -0.67 1.46 3.38 -1.59 -2.84 115.31 115.42 2yuf h LEU 102 Ca -0.00 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 2yuf h LEU 102 Cb 0.93 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2yuf h LEU 102 CO 0.07 0.82 -0.64 0.00 0.09 0.00 0.00 178.44 178.78 2yuf h VAL 104 N 0.07 0.75 -0.97 0.00 2.07 -1.38 -3.23 116.25 113.55 2yuf h VAL 104 Ca -0.01 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.76 2yuf h VAL 104 Cb 1.14 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2yuf h VAL 104 CO 0.09 0.15 0.64 0.11 0.02 0.00 0.00 177.57 178.58 2yuf h LYS 105 N -0.78 1.27 -4.49 1.57 1.79 -1.57 -3.39 116.57 110.97 2yuf h LYS 105 Ca -0.04 -0.08 -0.60 0.00 -2.18 0.00 0.00 60.65 57.76 2yuf h LYS 105 Cb 0.51 -0.29 -0.37 0.00 -1.58 0.00 0.00 32.23 30.50 2yuf h LYS 105 CO 0.06 0.84 -0.81 -0.51 -1.08 0.00 0.00 179.45 177.95 2yuf s ASP 106 N -6.16 3.21 0.26 0.86 1.11 -0.91 -4.99 116.67 110.04 2yuf s ASP 106 Ca -0.13 -0.80 0.08 0.00 0.18 0.00 0.00 52.55 51.88 2yuf s ASP 106 Cb 0.18 -1.16 0.32 0.00 1.07 0.00 0.00 42.92 43.33 2yuf s ASP 106 CO 0.81 -0.15 1.59 0.78 1.18 0.00 0.00 175.17 179.39 2yuf h ASN 107 N 8.01 0.11 -0.03 0.27 -0.26 -1.76 -3.00 115.58 118.92 2yuf h ASN 107 Ca -0.28 -0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.41 2yuf h ASN 107 Cb 1.10 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 38.33 2yuf h ASN 107 CO 0.46 0.69 0.02 0.00 -1.06 0.00 0.00 177.43 177.55 2yuf h ALA 108 N 1.31 2.02 0.00 -0.83 0.00 -1.94 -0.98 119.26 118.84 2yuf h ALA 108 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2yuf h ALA 108 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2yuf h ALA 108 CO 0.09 -0.03 -0.04 -0.07 0.00 0.00 0.00 179.25 179.19 2yuf h LEU 109 N 0.00 0.00 -1.50 0.00 3.38 -1.84 -1.87 115.31 113.47 2yuf h LEU 109 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2yuf h LEU 109 Cb 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2yuf h LEU 109 CO -0.00 0.04 0.43 -0.07 0.09 0.00 0.00 178.44 178.93 2yuf h LEU 110 N 0.00 0.52 0.02 1.67 3.38 -1.33 -1.53 115.31 118.04 2yuf h LEU 110 Ca -0.00 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 2yuf h LEU 110 Cb 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2yuf h LEU 110 CO 0.00 0.32 -1.29 0.71 0.09 0.00 0.00 178.44 178.28 2yuf h THR 111 N 0.58 1.38 -2.19 0.22 1.35 -1.50 -3.42 112.91 109.33 2yuf h THR 111 Ca 0.29 -3.11 -0.54 0.00 -0.55 0.00 0.00 66.41 62.50 2yuf h THR 111 Cb 0.39 2.72 -0.08 0.00 -1.73 0.00 0.00 68.15 69.45 2yuf h THR 111 CO -0.09 0.81 1.12 -0.13 -0.25 0.00 0.00 175.52 176.98 2yuf s ARG 112 N -2.66 3.18 0.05 4.72 0.52 -0.58 -4.82 118.95 119.37 2yuf s ARG 112 Ca -0.02 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 2yuf s ARG 112 Cb 0.09 -4.33 -0.25 0.00 0.52 0.00 0.00 34.95 30.98 2yuf s ARG 112 CO 0.83 -2.21 1.04 0.07 0.02 0.00 0.00 175.30 175.05 2yuf h ARG 113 N 10.38 0.16 0.01 3.54 -0.00 -1.83 -2.24 114.38 124.39 2yuf h ARG 113 Ca -0.23 -0.27 -0.22 0.00 -0.00 0.00 0.00 59.98 59.27 2yuf h ARG 113 Cb 1.05 0.10 -0.03 0.00 -0.00 0.00 0.00 29.97 31.09 2yuf h ARG 113 CO 1.29 1.04 -1.08 -0.44 -0.00 0.00 0.00 179.97 180.78 2yuf h ASP 114 N 0.04 0.04 0.14 0.08 3.32 -1.95 -3.08 116.42 115.02 2yuf h ASP 114 Ca -0.15 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.68 2yuf h ASP 114 Cb 1.93 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 41.49 2yuf h ASP 114 CO 0.16 1.04 -0.79 -0.08 -1.72 0.00 0.00 179.24 177.84 2yuf h GLU 115 N 0.01 0.29 -0.51 3.56 4.57 -1.94 -2.72 114.58 117.83 2yuf h GLU 115 Ca -0.05 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2yuf h GLU 115 Cb 1.81 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 30.56 2yuf h GLU 115 CO 0.13 1.24 0.33 1.25 -1.18 0.00 0.00 179.01 180.78 2yuf h LEU 116 N -0.39 0.60 -0.23 1.64 5.85 -1.53 0.07 115.31 121.32 2yuf h LEU 116 Ca -0.14 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.37 2yuf h LEU 116 Cb 1.63 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2yuf h LEU 116 CO 0.15 0.45 -0.89 0.15 -0.34 0.00 0.00 178.44 177.96 2yuf h PHE 117 N 0.70 0.01 -0.08 1.25 3.57 -1.63 -2.31 116.94 118.44 2yuf h PHE 117 Ca 0.19 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.48 2yuf h PHE 117 Cb -0.06 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.70 2yuf h PHE 117 CO 0.00 0.89 -0.75 0.00 -2.23 0.00 0.00 178.31 176.22 2yuf h ALA 118 N 1.11 0.20 -0.08 2.41 0.00 -1.01 -2.64 119.26 119.26 2yuf h ALA 118 Ca -0.01 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 2yuf h ALA 118 Cb 1.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2yuf h ALA 118 CO 0.12 0.56 -0.68 -0.07 0.00 0.00 0.00 179.25 179.18 2yuf h LEU 119 N 0.31 0.39 -0.23 0.00 3.38 -1.09 -2.89 115.31 115.19 2yuf h LEU 119 Ca -0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2yuf h LEU 119 Cb 1.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2yuf h LEU 119 CO 0.15 0.96 -0.00 0.00 0.09 0.00 0.00 178.44 179.64 2yuf h ALA 120 N 1.04 0.31 -0.32 1.53 0.00 -1.46 -2.87 119.26 117.49 2yuf h ALA 120 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2yuf h ALA 120 Cb 1.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2yuf h ALA 120 CO 0.11 0.03 0.06 0.00 0.00 0.00 0.00 179.25 179.46 2yuf h ARG 121 N 0.17 0.46 -0.48 0.00 3.08 -1.50 -1.10 114.38 115.01 2yuf h ARG 121 Ca 0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2yuf h ARG 121 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2yuf h ARG 121 CO 0.01 0.44 0.26 0.37 -1.07 0.00 0.00 179.97 179.98 2yuf h GLN 122 N 0.46 0.68 -0.04 0.04 4.15 -1.33 -2.05 115.11 117.02 2yuf h GLN 122 Ca 0.11 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.27 2yuf h GLN 122 Cb 0.20 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2yuf h GLN 122 CO -0.00 0.55 -0.73 0.82 -1.93 0.00 0.00 178.83 177.54 2yuf h ILE 123 N 0.64 1.44 0.92 2.39 2.04 -1.26 -2.90 117.51 120.77 2yuf h ILE 123 Ca 0.17 -2.28 -0.04 0.00 1.00 0.00 0.00 64.86 63.70 2yuf h ILE 123 Cb 0.07 2.22 0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2yuf h ILE 123 CO -0.03 0.67 -0.44 0.28 0.00 0.00 0.00 178.15 178.63 2yuf h SER 124 N 0.14 -1.04 -0.10 1.72 0.02 -0.92 -1.94 113.55 111.44 2yuf h SER 124 Ca -0.02 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2yuf h SER 124 Cb 1.29 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 64.10 2yuf h SER 124 CO 0.11 -0.74 0.07 0.03 -1.14 0.00 0.00 176.83 175.17 2yuf h ARG 125 N -1.25 0.00 -0.40 3.45 3.08 -1.47 0.06 114.38 117.84 2yuf h ARG 125 Ca -0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 2yuf h ARG 125 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 2yuf h ARG 125 CO 0.21 0.00 -0.12 0.93 -1.07 0.00 0.00 179.97 179.91 2yuf h GLU 126 N 0.00 0.72 0.00 0.04 5.08 -1.26 -0.40 114.58 118.76 2yuf h GLU 126 Ca 0.05 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2yuf h GLU 126 Cb 0.19 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2yuf h GLU 126 CO -0.00 0.82 -0.38 0.28 -1.00 0.00 0.00 179.01 178.73 2yuf h VAL 127 N 0.65 1.23 -0.68 3.13 2.07 -0.47 -2.24 116.25 119.94 2yuf h VAL 127 Ca 0.11 -2.06 0.05 0.00 0.82 0.00 0.00 66.70 65.63 2yuf h VAL 127 Cb 0.59 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 2yuf h VAL 127 CO 0.04 0.42 0.45 0.71 0.02 0.00 0.00 177.57 179.20 2yuf h THR 128 N -1.00 1.04 0.00 2.57 1.35 -1.10 -3.27 112.91 112.50 2yuf h THR 128 Ca -0.10 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2yuf h THR 128 Cb 0.93 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2yuf h THR 128 CO -0.06 0.13 -0.00 0.22 -0.25 0.00 0.00 175.52 175.56 2yuf h TYR 129 N 0.73 -0.00 -1.09 4.73 3.20 -1.20 -3.42 116.97 119.92 2yuf h TYR 129 Ca 0.28 -0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.68 2yuf h TYR 129 Cb 0.20 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 2yuf h TYR 129 CO -0.00 -0.00 1.17 0.21 -1.64 0.00 0.00 178.16 177.90 2yuf s LYS 130 N -1.04 3.12 0.00 1.82 2.20 -0.84 -4.67 119.74 120.33 2yuf s LYS 130 Ca -0.00 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 2yuf s LYS 130 Cb 0.00 -5.12 -0.00 0.00 -1.51 0.00 0.00 37.83 31.20 2yuf s LYS 130 CO 0.00 -2.67 -0.01 0.98 -0.36 0.00 0.00 175.35 173.28 2yuf n TYR 131 N 11.04 0.00 -3.70 4.03 4.19 -1.25 -4.58 117.16 126.88 2yuf n TYR 131 Ca 0.33 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.43 2yuf n TYR 131 Cb 0.49 -0.02 -0.10 0.00 0.49 0.00 0.00 39.34 40.20 2yuf n TYR 131 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 2yuf s THR 132 N -1.17 -0.01 -0.04 2.97 2.01 -1.26 -5.16 115.64 112.98 2yuf s THR 132 Ca -0.01 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2yuf s THR 132 Cb 0.00 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.89 2yuf s THR 132 CO 0.02 0.02 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.50 2yuf s TYR 133 N 0.96 1.58 -0.18 4.92 1.51 -1.26 -5.13 117.35 119.74 2yuf s TYR 133 Ca -0.06 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.40 2yuf s TYR 133 Cb -0.06 -1.08 0.05 0.00 -0.11 0.00 0.00 41.96 40.76 2yuf s TYR 133 CO -0.08 -0.16 0.48 0.50 -1.11 0.00 0.00 175.55 175.17 2yuf s ARG 134 N 0.11 0.53 1.22 -0.62 3.52 -1.26 -5.17 118.95 117.28 2yuf s ARG 134 Ca -0.05 0.74 -0.21 0.00 -0.13 0.00 0.00 55.73 56.09 2yuf s ARG 134 Cb -0.11 0.19 0.30 0.00 -1.56 0.00 0.00 34.95 33.77 2yuf s ARG 134 CO 0.02 -0.10 1.12 0.25 -0.81 0.00 0.00 175.30 175.78 2yuf n THR 135 N 3.30 0.00 -2.68 4.11 -2.24 -1.26 -4.75 114.28 110.76 2yuf n THR 135 Ca -0.16 -0.52 -0.02 0.00 -2.27 0.00 0.00 64.05 61.07 2yuf n THR 135 Cb 0.56 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.51 2yuf n THR 135 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2yuf n THR 136 N -4.81-12.43 -4.13 4.28 -1.04 -1.26 -5.08 114.28 89.81 2yuf n THR 136 Ca 0.15 2.23 -0.09 0.00 -2.04 0.00 0.00 64.05 64.31 2yuf n THR 136 Cb 0.59 -6.80 -0.03 0.00 -1.82 0.00 0.00 70.33 62.27 2yuf n THR 136 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2yuf n SER 137 N 1.10 -0.09 0.00 8.00 7.64 -1.26 -5.07 113.62 123.93 2yuf n SER 137 Ca -0.17 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2yuf n SER 137 Cb 0.26 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2yuf n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 138 N -0.08 1.10 3.80 0.23 0.00 -1.26 -5.10 105.19 103.89 2yuf n GLY 138 Ca 0.02 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2yuf n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuf s PRO 139 N 0.00 3.00 -0.29 1.61 0.04 -1.26 -5.07 135.00 133.03 2yuf s PRO 139 Ca 0.00 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 2yuf s PRO 139 Cb 0.00 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.72 2yuf s PRO 139 CO 0.00 -1.06 0.56 -1.54 0.04 0.00 0.00 177.00 175.00 2yuf s SER 140 N -3.27 -1.09 0.29 6.66 1.04 -1.26 -5.16 113.70 110.91 2yuf s SER 140 Ca 0.61 0.78 -0.20 0.00 0.48 0.00 0.00 55.95 57.62 2yuf s SER 140 Cb -0.16 1.98 0.05 0.00 0.10 0.00 0.00 66.02 67.99 2yuf s SER 140 CO 0.47 -0.27 0.83 -0.94 0.98 0.00 0.00 173.24 174.32 2yuf s SER 141 N 2.80 -0.10 0.00 7.02 1.04 -1.26 -5.35 113.70 117.85 2yuf s SER 141 Ca 0.19 -0.79 0.29 0.00 0.48 0.00 0.00 55.95 56.12 2yuf s SER 141 Cb -0.15 0.70 1.28 0.00 0.10 0.00 0.00 66.02 67.95 2yuf s SER 141 CO -0.20 -1.36 1.87 0.61 0.98 0.00 0.00 173.24 175.15