#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 0.94 -3.41 1.61 7.64 -1.26 -5.03 113.62 114.12 2yuf n SER 2 Ca 0.00 -2.00 -0.16 0.00 1.01 0.00 0.00 58.87 57.72 2yuf n SER 2 Cb 0.00 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 2yuf n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuf s SER 3 N -2.19 1.30 -0.11 6.43 1.04 -1.26 -5.13 113.70 113.78 2yuf s SER 3 Ca 0.31 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2yuf s SER 3 Cb 0.36 0.60 0.02 0.00 0.10 0.00 0.00 66.02 67.10 2yuf s SER 3 CO -0.14 -0.36 -0.09 -0.83 0.98 0.00 0.00 173.24 172.80 2yuf s GLY 4 N 2.39 0.85 -0.95 7.32 0.00 -1.26 -5.06 107.32 110.62 2yuf s GLY 4 Ca 0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 2yuf s GLY 4 CO -0.24 0.68 1.15 -1.26 0.00 0.00 0.00 173.10 173.43 2yuf n SER 5 N 4.75 5.32 -4.41 1.64 2.88 -1.26 -5.01 113.62 117.53 2yuf n SER 5 Ca -0.15 -3.34 -0.24 0.00 -1.33 0.00 0.00 58.87 53.81 2yuf n SER 5 Cb 0.50 -1.10 -0.10 0.00 -0.75 0.00 0.00 64.21 62.77 2yuf n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuf s SER 6 N -1.40 2.78 0.00 -3.46 0.15 -1.26 -5.11 113.70 105.40 2yuf s SER 6 Ca 0.33 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2yuf s SER 6 Cb 0.04 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2yuf s SER 6 CO 0.02 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2yuf n GLY 7 N -0.83 -0.34 3.66 9.45 0.00 -1.26 -4.98 105.19 110.89 2yuf n GLY 7 Ca -0.05 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 0.00 4.23 0.36 1.61 0.41 -1.26 -4.98 118.70 119.07 2yuf s GLU 8 Ca 0.00 1.49 -0.13 0.00 -0.41 0.00 0.00 54.97 55.92 2yuf s GLU 8 Cb 0.00 -3.71 0.05 0.00 -1.78 0.00 0.00 34.13 28.69 2yuf s GLU 8 CO 0.00 -0.70 0.71 0.00 -0.49 0.00 0.00 175.26 174.79 2yuf n ALA 9 N 6.53 -1.57 -0.58 5.21 0.00 -1.26 -5.11 120.51 123.73 2yuf n ALA 9 Ca 0.13 -1.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.10 2yuf n ALA 9 Cb 0.45 0.94 0.22 0.00 0.00 0.00 0.00 19.45 21.06 2yuf n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yuf s LEU 10 N 0.00 1.65 0.53 0.00 1.43 -1.26 -5.04 118.68 115.98 2yuf s LEU 10 Ca 0.15 1.82 0.08 0.00 -1.03 0.00 0.00 54.13 55.15 2yuf s LEU 10 Cb -0.04 -3.91 0.06 0.00 0.03 0.00 0.00 46.19 42.32 2yuf s LEU 10 CO 0.11 -3.81 0.72 -0.62 0.23 0.00 0.00 176.35 172.99 2yuf s ASP 11 N -2.54 5.27 0.47 2.29 2.15 -1.26 -4.89 116.67 118.16 2yuf s ASP 11 Ca 0.68 -0.64 0.13 0.00 0.43 0.00 0.00 52.55 53.15 2yuf s ASP 11 Cb -0.24 -0.10 1.09 0.00 -0.30 0.00 0.00 42.92 43.37 2yuf s ASP 11 CO 0.62 -1.15 2.09 0.00 -0.17 0.00 0.00 175.17 176.56 2yuf h ALA 12 N 0.30 1.85 0.02 3.66 0.00 -1.98 0.68 119.26 123.80 2yuf h ALA 12 Ca -0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2yuf h ALA 12 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2yuf h ALA 12 CO 0.43 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 2yuf h ALA 13 N 1.88 -0.03 -0.56 0.00 0.00 -2.00 -3.10 119.26 115.45 2yuf h ALA 13 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2yuf h ALA 13 Cb 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2yuf h ALA 13 CO -0.01 -0.07 0.37 0.00 0.00 0.00 0.00 179.25 179.54 2yuf h ALA 14 N -0.16 1.61 -0.20 0.00 0.00 -1.91 -1.48 119.26 117.12 2yuf h ALA 14 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2yuf h ALA 14 Cb 0.71 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2yuf h ALA 14 CO 0.01 0.37 -0.16 0.00 0.00 0.00 0.00 179.25 179.46 2yuf h ALA 15 N 1.65 1.37 -0.04 0.00 0.00 -0.96 -2.66 119.26 118.61 2yuf h ALA 15 Ca 0.20 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 2yuf h ALA 15 Cb -0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2yuf h ALA 15 CO -0.04 0.43 -0.82 -0.07 0.00 0.00 0.00 179.25 178.75 2yuf h LEU 16 N 0.30 0.47 -1.49 0.00 3.38 -1.21 -1.26 115.31 115.51 2yuf h LEU 16 Ca 0.06 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2yuf h LEU 16 Cb 0.47 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2yuf h LEU 16 CO 0.03 1.11 -0.15 0.28 0.09 0.00 0.00 178.44 179.80 2yuf h SER 17 N 0.24 0.14 0.41 -0.43 0.02 -1.07 0.91 113.55 113.77 2yuf h SER 17 Ca -0.05 -0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.56 2yuf h SER 17 Cb 1.42 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 2yuf h SER 17 CO 0.14 0.31 -1.70 0.58 -1.14 0.00 0.00 176.83 175.02 2yuf h VAL 18 N 0.14 0.92 0.00 2.27 2.07 -1.45 -3.02 116.25 117.19 2yuf h VAL 18 Ca 0.03 -2.67 -0.13 0.00 0.82 0.00 0.00 66.70 64.75 2yuf h VAL 18 Cb 0.35 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 2yuf h VAL 18 CO 0.02 0.71 -0.62 0.00 0.02 0.00 0.00 177.57 177.71 2yuf h ALA 19 N 0.62 0.93 0.02 1.67 0.00 -0.99 -2.10 119.26 119.41 2yuf h ALA 19 Ca -0.29 -0.56 -0.25 0.00 0.00 0.00 0.00 54.91 53.81 2yuf h ALA 19 Cb 2.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 2yuf h ALA 19 CO 0.11 0.77 -1.27 0.93 0.00 0.00 0.00 179.25 179.79 2yuf h GLU 20 N 0.00 0.04 -0.08 0.00 5.08 -0.96 -3.27 114.58 115.40 2yuf h GLU 20 Ca -0.01 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2yuf h GLU 20 Cb 1.13 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2yuf h GLU 20 CO 0.08 0.89 -0.35 0.00 -1.00 0.00 0.00 179.01 178.63 2yuf h VAL 22 N -0.11 0.88 0.00 0.00 3.04 -1.51 0.75 116.25 119.29 2yuf h VAL 22 Ca -0.02 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.59 2yuf h VAL 22 Cb 0.99 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 2yuf h VAL 22 CO 0.07 0.00 -0.38 -0.33 -1.01 0.00 0.00 177.57 175.92 2yuf h GLU 23 N 0.00 0.00 0.12 4.17 4.39 -1.59 -1.69 114.58 119.97 2yuf h GLU 23 Ca 0.08 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.52 2yuf h GLU 23 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2yuf h GLU 23 CO -0.00 0.38 -1.30 0.00 -1.16 0.00 0.00 179.01 176.93 2yuf h ARG 24 N 0.00 0.25 0.00 2.33 3.08 -0.76 -3.35 114.38 115.93 2yuf h ARG 24 Ca -0.00 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 2yuf h ARG 24 Cb 1.28 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 2yuf h ARG 24 CO 0.05 1.21 -0.21 0.00 -1.07 0.00 0.00 179.97 179.95 2yuf h MET 25 N -0.32 0.00 0.56 0.04 -0.00 -1.06 -3.24 114.93 110.91 2yuf h MET 25 Ca -0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.41 2yuf h MET 25 Cb 1.74 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.32 2yuf h MET 25 CO 0.08 0.21 -0.44 0.00 -0.00 0.00 0.00 176.91 176.76 2yuf h ALA 26 N 1.79 -1.16 -0.16 -3.00 0.00 -1.44 0.75 119.26 116.04 2yuf h ALA 26 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2yuf h ALA 26 Cb 1.05 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2yuf h ALA 26 CO 0.03 -1.16 -0.18 -1.00 0.00 0.00 0.00 179.25 176.94 2yuf h PRO 27 N -0.96 0.27 -0.01 0.00 0.13 -1.71 -2.80 132.00 126.92 2yuf h PRO 27 Ca -0.07 -0.07 -0.19 0.00 -0.87 0.00 0.00 66.00 64.79 2yuf h PRO 27 Cb 0.80 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2yuf h PRO 27 CO 0.02 0.45 -0.84 1.79 -0.23 0.00 0.00 178.00 179.18 2yuf h THR 28 N 0.25 1.47 -4.13 1.56 1.35 -1.55 -3.45 112.91 108.41 2yuf h THR 28 Ca 0.05 -2.52 -0.50 0.00 -0.55 0.00 0.00 66.41 62.89 2yuf h THR 28 Cb 0.47 2.40 0.08 0.00 -1.73 0.00 0.00 68.15 69.36 2yuf h THR 28 CO 0.03 0.74 0.40 -0.76 -0.25 0.00 0.00 175.52 175.68 2yuf s LEU 29 N -7.52 3.62 0.00 3.87 1.43 0.26 -5.05 118.68 115.29 2yuf s LEU 29 Ca -0.03 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 2yuf s LEU 29 Cb 0.10 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2yuf s LEU 29 CO 0.83 -1.29 0.00 -0.81 0.23 0.00 0.00 176.35 175.31 2yuf n PRO 30 N -1.69 -0.80 -4.26 1.29 -0.04 -1.26 -4.93 135.00 123.30 2yuf n PRO 30 Ca 0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 2yuf n PRO 30 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 2yuf n PRO 30 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2yuf n LYS 31 N -1.36 0.83 -4.22 0.54 0.00 -1.26 -5.04 118.16 107.66 2yuf n LYS 31 Ca 0.00 -3.17 -0.12 0.00 -0.00 0.00 0.00 58.31 55.02 2yuf n LYS 31 Cb 0.00 1.12 -0.10 0.00 -0.00 0.00 0.00 35.03 36.04 2yuf n LYS 31 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2yuf s SER 32 N -3.36 0.68 -0.12 -5.58 0.01 -1.26 -5.14 113.70 98.93 2yuf s SER 32 Ca 0.06 -1.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.03 2yuf s SER 32 Cb 0.00 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 2yuf s SER 32 CO 0.04 -0.71 -0.06 -0.62 0.41 0.00 0.00 173.24 172.30 2yuf s ASP 33 N -3.15 4.63 0.26 2.44 -1.08 -1.26 -5.00 116.67 113.49 2yuf s ASP 33 Ca 0.30 -0.11 0.07 0.00 -0.52 0.00 0.00 52.55 52.28 2yuf s ASP 33 Cb 0.07 -1.52 0.31 0.00 -1.46 0.00 0.00 42.92 40.32 2yuf s ASP 33 CO 0.07 0.25 1.59 -0.07 0.52 0.00 0.00 175.17 177.52 2yuf h LEU 34 N 6.12 0.16 -1.39 -1.34 3.38 -2.00 -2.98 115.31 117.25 2yuf h LEU 34 Ca -0.37 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2yuf h LEU 34 Cb 1.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2yuf h LEU 34 CO 0.58 0.72 -0.20 -1.13 0.09 0.00 0.00 178.44 178.50 2yuf h ASN 35 N 0.11 0.15 -0.08 -0.43 -0.73 -1.98 0.53 115.58 113.14 2yuf h ASN 35 Ca -0.01 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2yuf h ASN 35 Cb 1.08 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.63 2yuf h ASN 35 CO 0.09 0.36 -0.15 -0.08 -0.37 0.00 0.00 177.43 177.28 2yuf h GLU 36 N 0.14 0.23 0.00 6.67 4.81 -1.95 -3.22 114.58 121.26 2yuf h GLU 36 Ca 0.03 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 2yuf h GLU 36 Cb 0.44 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2yuf h GLU 36 CO 0.03 0.74 -0.58 -0.39 -0.73 0.00 0.00 179.01 178.08 2yuf h VAL 37 N -0.24 1.08 -0.97 0.32 -1.51 -1.45 -3.25 116.25 110.24 2yuf h VAL 37 Ca 0.00 -2.26 0.08 0.00 -1.23 0.00 0.00 66.70 63.29 2yuf h VAL 37 Cb 0.73 2.35 -0.07 0.00 -2.13 0.00 0.00 31.29 32.17 2yuf h VAL 37 CO 0.03 0.57 0.62 0.11 -1.23 0.00 0.00 177.57 177.67 2yuf h LYS 38 N 0.00 1.04 -0.09 5.19 1.57 0.03 -0.38 116.57 123.93 2yuf h LYS 38 Ca -0.01 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2yuf h LYS 38 Cb 1.31 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2yuf h LYS 38 CO 0.07 0.69 -0.12 0.93 -0.57 0.00 0.00 179.45 180.45 2yuf h GLU 39 N 1.07 0.13 -0.06 3.15 4.39 -1.58 -1.81 114.58 119.87 2yuf h GLU 39 Ca 0.44 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.01 2yuf h GLU 39 Cb 0.27 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2yuf h GLU 39 CO -0.19 0.27 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.44 2yuf h LEU 40 N 0.13 0.13 0.04 1.33 3.38 -1.21 -2.72 115.31 116.39 2yuf h LEU 40 Ca 0.03 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 2yuf h LEU 40 Cb 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2yuf h LEU 40 CO 0.02 0.54 -1.09 -0.07 0.09 0.00 0.00 178.44 177.92 2yuf h LEU 41 N 0.11 0.14 -1.27 1.67 3.38 -1.12 -2.96 115.31 115.25 2yuf h LEU 41 Ca 0.01 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2yuf h LEU 41 Cb 0.78 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2yuf h LEU 41 CO 0.06 1.12 -0.34 0.11 0.09 0.00 0.00 178.44 179.48 2yuf h LYS 42 N 0.02 0.00 0.07 1.13 1.57 -1.17 -2.91 116.57 115.28 2yuf h LYS 42 Ca -0.05 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.46 2yuf h LYS 42 Cb 1.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.13 2yuf h LYS 42 CO 0.15 0.34 -1.30 1.79 -0.57 0.00 0.00 179.45 179.87 2yuf h THR 43 N 0.00 1.40 -0.66 -0.16 1.35 -1.52 -3.47 112.91 109.85 2yuf h THR 43 Ca -0.00 -3.07 -0.54 0.00 -0.55 0.00 0.00 66.41 62.25 2yuf h THR 43 Cb 0.68 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.88 2yuf h THR 43 CO 0.04 0.85 -0.20 0.21 -0.25 0.00 0.00 175.52 176.17 2yuf s ASN 44 N -6.82 4.85 0.00 5.36 2.47 -1.10 -5.07 114.94 114.63 2yuf s ASN 44 Ca -0.04 -1.06 0.00 0.00 0.42 0.00 0.00 52.86 52.18 2yuf s ASN 44 Cb 0.08 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 40.26 2yuf s ASN 44 CO 0.85 -1.23 0.00 1.17 -3.72 0.00 0.00 177.10 174.17 2yuf n LYS 45 N -2.00 0.00 -0.24 0.43 4.81 -1.26 -4.64 118.16 115.26 2yuf n LYS 45 Ca 0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.43 2yuf n LYS 45 Cb 0.63 -0.59 0.04 0.00 0.02 0.00 0.00 35.03 35.12 2yuf n LYS 45 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2yuf h LYS 46 N 0.00 1.04 -0.19 1.64 1.57 -1.97 -0.35 116.57 118.30 2yuf h LYS 46 Ca 0.00 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 2yuf h LYS 46 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2yuf h LYS 46 CO 0.00 0.91 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.62 2yuf h LEU 47 N 0.97 0.28 0.00 2.94 3.38 -1.92 0.84 115.31 121.79 2yuf h LEU 47 Ca 0.21 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2yuf h LEU 47 Cb 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2yuf h LEU 47 CO -0.00 0.42 -0.58 0.00 0.09 0.00 0.00 178.44 178.36 2yuf h ALA 48 N 1.62 0.71 0.00 1.53 0.00 -1.71 -1.95 119.26 119.46 2yuf h ALA 48 Ca 0.06 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 2yuf h ALA 48 Cb 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2yuf h ALA 48 CO 0.02 0.53 -1.79 1.63 0.00 0.00 0.00 179.25 179.65 2yuf n LYS 49 N -3.13 0.64 -0.02 0.00 5.02 -0.18 -2.75 118.16 117.74 2yuf n LYS 49 Ca 0.01 0.18 -0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2yuf n LYS 49 Cb 0.71 -1.72 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2yuf n LYS 49 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2yuf h MET 50 N 0.00 0.00 -0.35 1.97 4.05 0.59 -3.42 114.93 117.77 2yuf h MET 50 Ca -0.29 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 58.87 2yuf h MET 50 Cb 1.88 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 32.49 2yuf h MET 50 CO 0.05 0.00 -0.64 0.44 0.23 0.00 0.00 176.91 176.99 2yuf n ILE 51 N -3.15 2.36 -0.09 1.77 -5.35 -0.98 -4.72 119.36 109.20 2yuf n ILE 51 Ca -0.01 -3.69 -0.21 0.00 -0.27 0.00 0.00 62.75 58.58 2yuf n ILE 51 Cb 0.02 -0.65 -0.12 0.00 -1.74 0.00 0.00 39.64 37.15 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 -0.93 -0.45 0.20 3.28 0.00 -0.77 -4.18 105.19 102.34 2yuf n GLY 52 Ca 0.31 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.17 0.00 -0.05 1.61 2.07 -1.83 -2.40 115.15 114.38 2yuf h HIS 53 Ca -0.54 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 56.90 2yuf h HIS 53 Cb 1.86 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.83 2yuf h HIS 53 CO 0.03 0.29 -0.31 0.82 -3.07 0.00 0.00 177.93 175.68 2yuf h ILE 54 N 0.00 1.25 -0.54 6.12 2.04 -1.88 -2.67 117.51 121.83 2yuf h ILE 54 Ca -0.00 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2yuf h ILE 54 Cb 0.51 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2yuf h ILE 54 CO 0.04 0.34 0.15 -0.26 0.00 0.00 0.00 178.15 178.42 2yuf h PHE 55 N 0.09 0.85 -0.01 1.37 0.04 -1.59 -2.50 116.94 115.18 2yuf h PHE 55 Ca 0.01 -0.07 -0.16 0.00 2.80 0.00 0.00 57.97 60.54 2yuf h PHE 55 Cb 0.61 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2yuf h PHE 55 CO 0.00 0.70 -0.75 0.93 -0.60 0.00 0.00 178.31 178.60 2yuf h GLU 56 N 0.80 0.11 -7.12 1.51 5.08 -1.54 -3.45 114.58 109.96 2yuf h GLU 56 Ca 0.18 -0.10 -0.43 0.00 -1.00 0.00 0.00 59.36 58.01 2yuf h GLU 56 Cb 0.27 0.02 0.22 0.00 0.50 0.00 0.00 28.75 29.76 2yuf h GLU 56 CO -0.00 0.80 -0.01 1.41 -1.00 0.00 0.00 179.01 180.20 2yuf s MET 57 N -3.39 -1.16 0.10 2.33 1.75 -0.94 -5.02 119.30 112.97 2yuf s MET 57 Ca -0.02 0.86 0.01 0.00 -1.25 0.00 0.00 55.69 55.30 2yuf s MET 57 Cb 0.11 -1.52 -0.04 0.00 2.84 0.00 0.00 34.83 36.22 2yuf s MET 57 CO 0.80 -3.89 0.22 -0.80 -0.65 0.00 0.00 175.02 170.70 2yuf s ASN 58 N -2.41 6.23 0.34 1.11 -0.87 -1.26 -5.01 114.94 113.07 2yuf s ASN 58 Ca 0.69 0.19 0.15 0.00 -1.57 0.00 0.00 52.86 52.31 2yuf s ASN 58 Cb -0.26 -1.87 0.58 0.00 -0.02 0.00 0.00 41.25 39.69 2yuf s ASN 58 CO 0.65 0.12 1.71 -2.24 -2.57 0.00 0.00 177.10 174.78 2yuf h ASP 59 N 2.73 0.00 -0.52 -1.22 2.03 -1.95 -3.29 116.42 114.19 2yuf h ASP 59 Ca -0.47 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.23 2yuf h ASP 59 Cb 1.17 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.61 2yuf h ASP 59 CO 0.72 0.46 2.30 -0.90 -1.03 0.00 0.00 179.24 180.79 2yuf n ASP 60 N -3.72 7.72 -3.80 4.15 5.75 -1.26 -4.85 116.55 120.54 2yuf n ASP 60 Ca -0.01 -2.83 -0.13 0.00 -0.01 0.00 0.00 54.79 51.82 2yuf n ASP 60 Cb 0.53 -1.43 -0.12 0.00 -1.03 0.00 0.00 41.12 39.06 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2yuf s ASP 61 N 1.31 -0.18 0.31 -1.12 -1.08 -1.24 -5.04 116.67 109.62 2yuf s ASP 61 Ca 0.63 0.36 0.14 0.00 -0.52 0.00 0.00 52.55 53.16 2yuf s ASP 61 Cb 0.23 0.36 0.49 0.00 -1.46 0.00 0.00 42.92 42.53 2yuf s ASP 61 CO -0.08 -0.07 1.66 1.55 0.52 0.00 0.00 175.17 178.75 2yuf h PRO 62 N 5.98 0.00 0.00 4.34 0.13 -1.92 -3.07 132.00 137.45 2yuf h PRO 62 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 2yuf h PRO 62 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2yuf h PRO 62 CO 0.40 0.52 -0.73 0.45 -0.23 0.00 0.00 178.00 178.41 2yuf h HIS 63 N 0.00 0.00 0.22 1.56 3.86 -1.96 -3.15 115.15 115.69 2yuf h HIS 63 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2yuf h HIS 63 Cb 1.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 2yuf h HIS 63 CO 0.00 0.73 -0.17 -0.22 0.86 0.00 0.00 177.93 179.13 2yuf h LYS 64 N 0.00 -0.39 -0.51 2.45 3.11 -1.83 -0.78 116.57 118.62 2yuf h LYS 64 Ca -0.01 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 2yuf h LYS 64 Cb 1.31 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 32.60 2yuf h LYS 64 CO 0.09 -0.26 0.32 1.49 -2.81 0.00 0.00 179.45 178.29 2yuf h GLU 65 N -0.40 0.63 0.00 1.90 4.81 -1.65 0.01 114.58 119.88 2yuf h GLU 65 Ca -0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2yuf h GLU 65 Cb 0.35 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2yuf h GLU 65 CO -0.01 0.42 -0.01 0.93 -0.73 0.00 0.00 179.01 179.61 2yuf h GLU 66 N 0.65 0.00 0.20 1.92 4.39 -1.46 -0.09 114.58 120.19 2yuf h GLU 66 Ca 0.20 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.64 2yuf h GLU 66 Cb -0.02 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2yuf h GLU 66 CO -0.07 0.01 -1.15 0.93 -1.16 0.00 0.00 179.01 177.57 2yuf h GLU 67 N 0.00 0.43 -0.31 2.33 4.39 -0.12 -3.19 114.58 118.11 2yuf h GLU 67 Ca -0.00 -0.73 -0.03 0.00 0.34 0.00 0.00 59.36 58.94 2yuf h GLU 67 Cb 0.02 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2yuf h GLU 67 CO 0.00 1.35 0.06 0.82 -1.16 0.00 0.00 179.01 180.08 2yuf h ILE 68 N -0.10 1.22 -0.10 3.13 2.04 -0.52 -2.62 117.51 120.57 2yuf h ILE 68 Ca -0.20 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 64.93 2yuf h ILE 68 Cb 1.91 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2yuf h ILE 68 CO 0.22 0.25 0.08 0.08 0.00 0.00 0.00 178.15 178.78 2yuf h ARG 69 N 0.33 0.00 -0.17 2.37 0.11 -1.16 0.77 114.38 116.63 2yuf h ARG 69 Ca 0.09 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.06 2yuf h ARG 69 Cb 0.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 2yuf h ARG 69 CO 0.00 0.00 -0.40 -0.22 0.10 0.00 0.00 179.97 179.45 2yuf h LYS 70 N 0.00 0.38 0.07 0.08 3.64 -1.45 -3.29 116.57 115.99 2yuf h LYS 70 Ca 0.05 -0.18 -0.37 0.00 -1.27 0.00 0.00 60.65 58.87 2yuf h LYS 70 Cb 0.21 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2yuf h LYS 70 CO -0.00 0.72 -2.18 0.66 -2.27 0.00 0.00 179.45 176.38 2yuf n TYR 71 N -4.03 0.71 -1.55 1.91 4.01 -0.39 -4.66 117.16 113.16 2yuf n TYR 71 Ca -0.01 0.16 -0.31 0.00 -0.16 0.00 0.00 57.90 57.57 2yuf n TYR 71 Cb 0.49 -1.09 -0.04 0.00 -0.31 0.00 0.00 39.34 38.39 2yuf n TYR 71 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2yuf n SER 72 N -3.45 2.10 -3.15 7.72 3.41 0.25 -4.82 113.62 115.68 2yuf n SER 72 Ca -0.38 -0.69 0.04 0.00 -0.26 0.00 0.00 58.87 57.58 2yuf n SER 72 Cb 1.01 -1.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2yuf n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yuf s ALA 73 N 12.57 -2.62 -0.14 7.33 0.00 -1.26 -4.65 121.76 132.99 2yuf s ALA 73 Ca 0.99 1.38 -0.27 0.00 0.00 0.00 0.00 51.96 54.06 2yuf s ALA 73 Cb -0.21 -2.45 -0.24 0.00 0.00 0.00 0.00 23.12 20.22 2yuf s ALA 73 CO 0.24 -1.67 0.70 0.82 0.00 0.00 0.00 175.76 175.85 2yuf h ILE 74 N 5.79 1.65 -3.76 0.00 2.04 -1.87 -3.41 117.51 117.94 2yuf h ILE 74 Ca -0.10 -2.26 -0.79 0.00 1.00 0.00 0.00 64.86 62.71 2yuf h ILE 74 Cb 1.18 3.15 -0.26 0.00 -0.74 0.00 0.00 36.82 40.15 2yuf h ILE 74 CO 0.14 0.56 0.16 -0.31 0.00 0.00 0.00 178.15 178.70 2yuf s TYR 75 N -2.19 3.81 -2.46 1.37 2.02 -1.26 -4.94 117.35 113.70 2yuf s TYR 75 Ca -0.18 -2.06 0.00 0.00 -0.37 0.00 0.00 57.07 54.45 2yuf s TYR 75 Cb -0.02 -3.83 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 2yuf s TYR 75 CO 0.65 -1.00 0.00 0.41 -1.57 0.00 0.00 175.55 174.04 2yuf n GLY 76 N 3.86 0.72 0.42 0.71 0.00 -1.26 -4.98 105.19 104.64 2yuf n GLY 76 Ca 0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 2yuf n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuf n ARG 77 N 0.00 0.08 0.00 1.61 1.74 -1.26 -4.97 116.66 113.86 2yuf n ARG 77 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2yuf n ARG 77 Cb 0.00 -0.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2yuf n PHE 78 N -2.89 -0.00 -3.15 -1.55 -1.74 -1.26 -4.70 117.46 102.16 2yuf n PHE 78 Ca -0.02 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.91 2yuf n PHE 78 Cb 0.08 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.07 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 -1.01 -1.00 0.05 5.98 2.15 -1.26 -4.98 116.67 116.58 2yuf s ASP 79 Ca 0.00 0.62 0.03 0.00 0.43 0.00 0.00 52.55 53.63 2yuf s ASP 79 Cb 0.00 1.84 -0.02 0.00 -0.30 0.00 0.00 42.92 44.43 2yuf s ASP 79 CO 0.00 -0.19 -0.09 -0.94 -0.17 0.00 0.00 175.17 173.78 2yuf s SER 80 N 2.90 1.00 -0.62 -0.34 1.04 -1.26 -5.11 113.70 111.31 2yuf s SER 80 Ca 0.12 -0.55 -0.15 0.00 0.48 0.00 0.00 55.95 55.86 2yuf s SER 80 Cb -0.13 0.02 0.16 0.00 0.10 0.00 0.00 66.02 66.16 2yuf s SER 80 CO -0.17 -0.17 0.57 -0.54 0.98 0.00 0.00 173.24 173.91 2yuf s LYS 81 N -1.55 3.12 0.29 4.02 1.02 -1.26 -5.00 119.74 120.38 2yuf s LYS 81 Ca -0.08 -1.96 -0.07 0.00 0.02 0.00 0.00 55.97 53.87 2yuf s LYS 81 Cb -0.10 -4.29 0.03 0.00 -0.52 0.00 0.00 37.83 32.95 2yuf s LYS 81 CO 0.01 -1.30 0.52 0.54 -0.92 0.00 0.00 175.35 174.19 2yuf n ARG 82 N 4.79 0.75 -2.57 1.68 1.74 -1.26 -5.17 116.66 116.61 2yuf n ARG 82 Ca -0.05 -1.92 -0.27 0.00 -0.77 0.00 0.00 57.85 54.85 2yuf n ARG 82 Cb 0.42 2.14 0.01 0.00 -1.02 0.00 0.00 32.46 34.01 2yuf n ARG 82 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2yuf s LYS 83 N -2.30 3.31 0.16 5.56 -2.85 -1.26 -5.03 119.74 117.33 2yuf s LYS 83 Ca 0.17 0.09 0.10 0.00 -1.00 0.00 0.00 55.97 55.33 2yuf s LYS 83 Cb -0.03 -2.35 -0.04 0.00 -2.06 0.00 0.00 37.83 33.35 2yuf s LYS 83 CO 0.12 -0.37 -0.18 -0.51 0.10 0.00 0.00 175.35 174.51 2yuf s ASP 84 N -4.18 3.81 0.00 0.03 1.01 -1.26 -4.80 116.67 111.28 2yuf s ASP 84 Ca 0.50 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 53.07 2yuf s ASP 84 Cb -0.10 -0.48 0.00 0.00 1.01 0.00 0.00 42.92 43.35 2yuf s ASP 84 CO 0.45 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.57 2yuf n GLY 85 N 0.38 2.32 0.10 0.21 0.00 -1.16 -5.01 105.19 102.03 2yuf n GLY 85 Ca -0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 2yuf n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yuf h LYS 86 N 0.00 -0.22 0.00 1.61 1.79 -2.00 -3.43 116.57 114.32 2yuf h LYS 86 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2yuf h LYS 86 Cb 0.00 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2yuf h LYS 86 CO 0.00 -0.15 -0.56 0.72 -1.08 0.00 0.00 179.45 178.38 2yuf n HIS 87 N -3.00 0.00 -2.57 -1.35 8.25 -1.26 -4.84 115.22 110.44 2yuf n HIS 87 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 2yuf n HIS 87 Cb 0.09 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 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 -6.82 3.41 -0.21 2.41 1.43 -1.26 -4.76 118.68 112.88 2yuf s LEU 88 Ca -0.16 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 51.88 2yuf s LEU 88 Cb 0.02 -2.56 -0.20 0.00 0.03 0.00 0.00 46.19 43.49 2yuf s LEU 88 CO 0.24 -1.64 -0.03 1.07 0.23 0.00 0.00 176.35 176.22 2yuf n THR 89 N 6.63 1.59 0.02 5.49 5.66 -1.26 -2.97 114.28 129.43 2yuf n THR 89 Ca 0.20 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 2yuf n THR 89 Cb 0.50 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 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 -3.39 -0.33 -0.09 1.09 7.94 -1.26 -4.89 117.00 116.08 2yuf n LEU 90 Ca -0.41 0.26 -0.09 0.00 -1.11 0.00 0.00 56.01 54.65 2yuf n LEU 90 Cb 1.00 0.54 -0.02 0.00 0.53 0.00 0.00 43.42 45.47 2yuf n LEU 90 CO 0.31 -0.02 0.99 -0.74 -1.11 0.00 0.00 177.39 176.82 2yuf h HIS 91 N 0.00 0.38 -0.17 1.96 2.76 -1.95 -2.06 115.15 116.08 2yuf h HIS 91 Ca 0.00 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2yuf h HIS 91 Cb 0.00 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2yuf h HIS 91 CO 0.00 0.25 0.10 0.93 -1.30 0.00 0.00 177.93 177.91 2yuf h GLU 92 N 0.41 0.22 -0.07 5.26 4.39 -1.94 -1.17 114.58 121.68 2yuf h GLU 92 Ca 0.11 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 2yuf h GLU 92 Cb -0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2yuf h GLU 92 CO -0.02 0.16 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.51 2yuf h LEU 93 N 0.23 0.15 -0.25 1.33 3.38 -1.74 -2.82 115.31 115.58 2yuf h LEU 93 Ca 0.06 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2yuf h LEU 93 Cb -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2yuf h LEU 93 CO -0.01 0.54 -0.41 0.74 0.09 0.00 0.00 178.44 179.39 2yuf h THR 94 N 0.12 1.30 -0.63 0.22 2.02 -0.83 -3.01 112.91 112.11 2yuf h THR 94 Ca 0.01 -1.61 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 2yuf h THR 94 Cb 0.76 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 2yuf h THR 94 CO 0.06 0.51 0.32 0.58 0.37 0.00 0.00 175.52 177.36 2yuf h VAL 95 N 0.45 1.20 0.89 3.16 2.07 -1.37 0.21 116.25 122.87 2yuf h VAL 95 Ca 0.02 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2yuf h VAL 95 Cb 1.00 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2yuf h VAL 95 CO 0.09 0.23 -0.43 0.78 0.02 0.00 0.00 177.57 178.26 2yuf h ASN 96 N 0.88 -1.01 0.19 0.57 2.35 -1.46 -2.11 115.58 114.99 2yuf h ASN 96 Ca 0.22 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2yuf h ASN 96 Cb 0.06 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2yuf h ASN 96 CO -0.03 -0.68 -0.21 -0.33 -1.65 0.00 0.00 177.43 174.53 2yuf h GLU 97 N -1.29 0.04 0.83 0.81 5.08 -1.45 -2.77 114.58 115.83 2yuf h GLU 97 Ca -0.12 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2yuf h GLU 97 Cb 0.92 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2yuf h GLU 97 CO 0.20 0.26 -0.47 0.00 -1.00 0.00 0.00 179.01 178.00 2yuf h ALA 98 N 1.75 -1.23 -0.10 3.43 0.00 -0.43 -2.50 119.26 120.18 2yuf h ALA 98 Ca 0.01 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2yuf h ALA 98 Cb 0.40 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2yuf h ALA 98 CO 0.03 -1.20 0.07 0.00 0.00 0.00 0.00 179.25 178.14 2yuf h ALA 99 N -1.10 2.09 -0.58 0.00 0.00 -1.33 -1.90 119.26 116.43 2yuf h ALA 99 Ca -0.11 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2yuf h ALA 99 Cb 0.95 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2yuf h ALA 99 CO 0.14 -0.12 0.37 0.00 0.00 0.00 0.00 179.25 179.64 2yuf h ALA 100 N 1.95 0.74 -0.00 0.00 0.00 -1.16 0.47 119.26 121.26 2yuf h ALA 100 Ca 0.05 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2yuf h ALA 100 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2yuf h ALA 100 CO -0.00 0.13 -0.87 1.96 0.00 0.00 0.00 179.25 180.47 2yuf h GLN 101 N 0.74 0.22 -0.26 0.00 4.20 -0.99 -3.20 115.11 115.82 2yuf h GLN 101 Ca 0.22 -0.24 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 2yuf h GLN 101 Cb -0.04 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2yuf h GLN 101 CO -0.07 0.96 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.40 2yuf h LEU 102 N 0.13 0.95 -1.95 1.46 3.38 -0.96 -3.05 115.31 115.26 2yuf h LEU 102 Ca -0.05 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2yuf h LEU 102 Cb 1.49 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2yuf h LEU 102 CO 0.13 1.32 0.04 0.00 0.09 0.00 0.00 178.44 180.02 2yuf h VAL 104 N 0.07 0.17 -0.33 0.00 2.07 -1.53 -3.13 116.25 113.57 2yuf h VAL 104 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2yuf h VAL 104 Cb 0.02 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2yuf h VAL 104 CO -0.00 0.00 0.22 0.11 0.02 0.00 0.00 177.57 177.91 2yuf h LYS 105 N -1.12 0.44 -4.48 1.57 1.79 -1.58 -3.37 116.57 109.82 2yuf h LYS 105 Ca -0.11 -0.03 -0.71 0.00 -2.18 0.00 0.00 60.65 57.62 2yuf h LYS 105 Cb 0.86 -0.10 -0.29 0.00 -1.58 0.00 0.00 32.23 31.12 2yuf h LYS 105 CO 0.18 0.30 -0.50 0.34 -1.08 0.00 0.00 179.45 178.69 2yuf s ASP 106 N -5.51 5.52 0.42 0.86 -1.08 -0.79 -4.94 116.67 111.15 2yuf s ASP 106 Ca -0.13 -1.58 0.20 0.00 -0.52 0.00 0.00 52.55 50.53 2yuf s ASP 106 Cb 0.10 -1.94 0.90 0.00 -1.46 0.00 0.00 42.92 40.52 2yuf s ASP 106 CO 0.71 -0.52 1.84 0.78 0.52 0.00 0.00 175.17 178.51 2yuf h ASN 107 N 8.32 0.00 0.13 -0.34 -0.26 -1.73 -2.82 115.58 118.89 2yuf h ASN 107 Ca -0.21 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.46 2yuf h ASN 107 Cb 1.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.32 2yuf h ASN 107 CO 0.73 0.30 -0.25 0.00 -1.06 0.00 0.00 177.43 177.15 2yuf h ALA 108 N 1.70 1.36 -0.02 -0.83 0.00 -1.92 -2.55 119.26 117.00 2yuf h ALA 108 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2yuf h ALA 108 Cb 0.70 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2yuf h ALA 108 CO 0.04 0.44 0.02 -0.07 0.00 0.00 0.00 179.25 179.68 2yuf h LEU 109 N 0.19 0.02 -1.69 0.00 3.38 -1.77 -1.26 115.31 114.19 2yuf h LEU 109 Ca 0.03 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2yuf h LEU 109 Cb 0.55 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2yuf h LEU 109 CO 0.04 0.02 0.22 -0.07 0.09 0.00 0.00 178.44 178.73 2yuf h LEU 110 N 0.03 0.37 0.16 1.67 3.38 -1.59 -2.65 115.31 116.67 2yuf h LEU 110 Ca 0.01 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2yuf h LEU 110 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2yuf h LEU 110 CO -0.00 0.26 -1.71 0.71 0.09 0.00 0.00 178.44 177.79 2yuf h THR 111 N 0.43 0.97 -3.07 0.22 1.35 -1.39 -3.43 112.91 107.99 2yuf h THR 111 Ca 0.12 -2.58 -0.73 0.00 -0.55 0.00 0.00 66.41 62.66 2yuf h THR 111 Cb -0.04 2.74 -0.22 0.00 -1.73 0.00 0.00 68.15 68.90 2yuf h THR 111 CO -0.03 0.84 -0.11 -0.13 -0.25 0.00 0.00 175.52 175.84 2yuf s ARG 112 N -2.59 3.01 0.17 4.72 0.52 -0.82 -4.89 118.95 119.07 2yuf s ARG 112 Ca -0.14 -1.48 0.09 0.00 -0.52 0.00 0.00 55.73 53.68 2yuf s ARG 112 Cb 0.06 -4.25 -0.09 0.00 0.52 0.00 0.00 34.95 31.19 2yuf s ARG 112 CO 0.85 -1.35 1.35 0.00 0.02 0.00 0.00 175.30 176.17 2yuf h ARG 113 N 8.97 0.00 0.25 3.54 3.08 -1.83 -3.06 114.38 125.33 2yuf h ARG 113 Ca -0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 2yuf h ARG 113 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2yuf h ARG 113 CO 1.03 0.85 -0.21 0.22 -1.07 0.00 0.00 179.97 180.80 2yuf h ASP 114 N 0.00 -0.55 -0.10 7.04 3.58 -1.91 -0.03 116.42 124.45 2yuf h ASP 114 Ca -0.01 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2yuf h ASP 114 Cb 1.62 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.83 2yuf h ASP 114 CO 0.11 -0.32 -0.21 -0.08 -2.88 0.00 0.00 179.24 175.86 2yuf h GLU 115 N -0.48 0.51 -0.07 0.28 4.57 -1.94 -2.66 114.58 114.79 2yuf h GLU 115 Ca -0.01 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 2yuf h GLU 115 Cb 0.43 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2yuf h GLU 115 CO -0.02 0.70 -0.21 1.25 -1.18 0.00 0.00 179.01 179.55 2yuf h LEU 116 N 0.46 0.11 -1.21 1.64 5.85 -1.36 -2.35 115.31 118.45 2yuf h LEU 116 Ca 0.07 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2yuf h LEU 116 Cb 0.62 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2yuf h LEU 116 CO 0.04 0.33 -0.13 0.15 -0.34 0.00 0.00 178.44 178.49 2yuf h PHE 117 N 0.11 0.41 0.25 1.25 3.57 -0.63 -0.27 116.94 121.64 2yuf h PHE 117 Ca 0.02 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2yuf h PHE 117 Cb 0.43 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2yuf h PHE 117 CO 0.00 0.51 -0.12 0.00 -2.23 0.00 0.00 178.31 176.48 2yuf h ALA 118 N 1.50 -0.34 -0.97 2.41 0.00 -1.44 -2.23 119.26 118.19 2yuf h ALA 118 Ca 0.07 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2yuf h ALA 118 Cb 0.45 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2yuf h ALA 118 CO 0.03 -0.38 0.63 -0.07 0.00 0.00 0.00 179.25 179.46 2yuf h LEU 119 N -0.97 1.06 -0.92 0.00 3.38 -1.50 -1.35 115.31 115.00 2yuf h LEU 119 Ca -0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2yuf h LEU 119 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2yuf h LEU 119 CO 0.06 0.72 0.04 0.00 0.09 0.00 0.00 178.44 179.35 2yuf h ALA 120 N 1.40 1.11 0.00 1.53 0.00 -1.13 -2.60 119.26 119.57 2yuf h ALA 120 Ca 0.39 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2yuf h ALA 120 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2yuf h ALA 120 CO -0.12 0.58 -0.54 0.00 0.00 0.00 0.00 179.25 179.16 2yuf h ARG 121 N 0.79 0.00 -0.10 0.00 3.08 -0.72 -2.42 114.38 115.01 2yuf h ARG 121 Ca 0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2yuf h ARG 121 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2yuf h ARG 121 CO 0.01 0.54 -0.07 1.96 -1.07 0.00 0.00 179.97 181.34 2yuf h GLN 122 N 0.00 0.15 0.01 0.04 4.20 -0.87 -1.38 115.11 117.27 2yuf h GLN 122 Ca -0.01 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.40 2yuf h GLN 122 Cb 0.99 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2yuf h GLN 122 CO 0.07 0.24 -1.61 0.82 -0.67 0.00 0.00 178.83 177.68 2yuf h ILE 123 N 0.15 0.97 -0.01 2.54 2.04 -1.48 -3.30 117.51 118.42 2yuf h ILE 123 Ca 0.03 -2.79 -0.11 0.00 1.00 0.00 0.00 64.86 62.99 2yuf h ILE 123 Cb 0.23 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2yuf h ILE 123 CO 0.01 0.58 -0.49 -1.28 0.00 0.00 0.00 178.15 176.97 2yuf h SER 124 N 0.01 0.03 0.65 1.72 0.87 -1.06 -2.89 113.55 112.87 2yuf h SER 124 Ca -0.25 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.13 2yuf h SER 124 Cb 1.98 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.91 2yuf h SER 124 CO 0.09 0.52 -0.75 0.03 -0.53 0.00 0.00 176.83 176.18 2yuf h ARG 125 N 0.02 0.08 -0.21 2.24 2.47 -1.39 -3.05 114.38 114.55 2yuf h ARG 125 Ca -0.00 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 2yuf h ARG 125 Cb 0.88 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 2yuf h ARG 125 CO 0.07 0.80 0.02 0.93 0.56 0.00 0.00 179.97 182.34 2yuf h GLU 126 N 0.05 0.35 0.00 0.04 4.39 -1.59 0.13 114.58 117.96 2yuf h GLU 126 Ca -0.02 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2yuf h GLU 126 Cb 1.33 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2yuf h GLU 126 CO 0.11 0.52 -0.17 0.28 -1.16 0.00 0.00 179.01 178.58 2yuf h VAL 127 N 0.13 1.02 0.03 3.13 2.07 -1.57 -1.47 116.25 119.59 2yuf h VAL 127 Ca 0.06 -0.61 -0.24 0.00 0.82 0.00 0.00 66.70 66.74 2yuf h VAL 127 Cb 0.35 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2yuf h VAL 127 CO 0.01 0.17 -1.17 0.71 0.02 0.00 0.00 177.57 177.30 2yuf h THR 128 N 0.00 1.53 0.30 2.57 1.35 -1.39 -3.38 112.91 113.89 2yuf h THR 128 Ca -0.00 -3.23 -0.01 0.00 -0.55 0.00 0.00 66.41 62.61 2yuf h THR 128 Cb 0.32 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2yuf h THR 128 CO 0.02 0.89 -0.14 0.22 -0.25 0.00 0.00 175.52 176.25 2yuf h TYR 129 N 0.01 -0.37 -3.36 4.73 5.03 -0.43 -3.44 116.97 119.14 2yuf h TYR 129 Ca -0.08 -0.01 -0.57 0.00 2.58 0.00 0.00 58.73 60.65 2yuf h TYR 129 Cb 1.85 0.12 -0.07 0.00 1.55 0.00 0.00 36.73 40.19 2yuf h TYR 129 CO 0.01 -0.23 0.08 0.15 -1.32 0.00 0.00 178.16 176.85 2yuf s LYS 130 N -2.91 4.37 -0.02 1.82 1.02 -0.60 -4.90 119.74 118.52 2yuf s LYS 130 Ca -0.06 0.77 0.08 0.00 0.02 0.00 0.00 55.97 56.79 2yuf s LYS 130 Cb 0.01 -3.48 0.15 0.00 -0.52 0.00 0.00 37.83 33.99 2yuf s LYS 130 CO 0.18 -0.01 1.07 0.66 -0.92 0.00 0.00 175.35 176.33 2yuf n TYR 131 N 4.11 -0.06 -3.65 3.18 4.01 -1.26 -4.66 117.16 118.83 2yuf n TYR 131 Ca -0.02 -0.58 -0.12 0.00 -0.16 0.00 0.00 57.90 57.02 2yuf n TYR 131 Cb 0.51 0.34 -0.06 0.00 -0.31 0.00 0.00 39.34 39.82 2yuf n TYR 131 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2yuf s THR 132 N -0.06 0.06 0.10 -0.72 -1.32 -1.26 -5.06 115.64 107.38 2yuf s THR 132 Ca 0.11 -0.46 -0.12 0.00 -1.21 0.00 0.00 61.69 60.00 2yuf s THR 132 Cb 0.14 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.97 2yuf s THR 132 CO -0.05 -0.26 1.30 0.10 -2.21 0.00 0.00 174.62 173.50 2yuf h TYR 133 N 2.86 1.05 -3.96 9.09 -0.00 -2.05 -3.46 116.97 120.51 2yuf h TYR 133 Ca -0.32 -0.48 -0.30 0.00 -0.00 0.00 0.00 58.73 57.64 2yuf h TYR 133 Cb 1.22 -0.16 -0.21 0.00 -0.00 0.00 0.00 36.73 37.58 2yuf h TYR 133 CO 0.39 1.31 -0.74 1.03 -0.00 0.00 0.00 178.16 180.15 2yuf s ARG 134 N -3.69 0.57 -0.08 0.10 0.52 -1.26 -5.05 118.95 110.06 2yuf s ARG 134 Ca -0.10 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.35 2yuf s ARG 134 Cb 0.08 -0.38 -0.07 0.00 0.52 0.00 0.00 34.95 35.11 2yuf s ARG 134 CO 0.91 0.07 -0.05 2.41 0.02 0.00 0.00 175.30 178.66 2yuf n THR 135 N 1.44 0.50 -2.34 0.02 -1.04 -1.26 -4.90 114.28 106.71 2yuf n THR 135 Ca -0.22 -0.22 -0.37 0.00 -2.04 0.00 0.00 64.05 61.19 2yuf n THR 135 Cb 0.55 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 2yuf n THR 135 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2yuf s THR 136 N -2.18 3.65 -0.38 12.58 -4.23 -1.26 -4.87 115.64 118.95 2yuf s THR 136 Ca -0.10 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 2yuf s THR 136 Cb 0.03 -4.57 0.16 0.00 1.34 0.00 0.00 72.50 69.46 2yuf s THR 136 CO 0.23 -1.49 0.28 -0.94 -0.54 0.00 0.00 174.62 172.15 2yuf s SER 137 N 5.95 2.20 0.00 3.99 1.04 -1.26 -5.00 113.70 120.61 2yuf s SER 137 Ca 0.53 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 54.31 2yuf s SER 137 Cb -0.06 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.63 2yuf s SER 137 CO 0.05 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2yuf n GLY 138 N 3.42 1.58 3.77 7.32 0.00 -1.26 -5.10 105.19 114.91 2yuf n GLY 138 Ca 0.21 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.23 4.39 0.00 1.61 0.04 -1.26 -4.94 135.00 134.62 2yuf s PRO 139 Ca 0.00 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2yuf s PRO 139 Cb 0.00 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2yuf s PRO 139 CO 0.00 -0.14 0.00 0.45 0.04 0.00 0.00 177.00 177.35 2yuf n SER 140 N 1.02 0.99 -3.82 6.66 2.88 -1.26 -4.87 113.62 115.22 2yuf n SER 140 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 2yuf n SER 140 Cb 0.42 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 2yuf n SER 140 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yuf n SER 141 N -2.72 3.46 0.00 -3.46 3.41 -1.26 -5.34 113.62 107.71 2yuf n SER 141 Ca 0.00 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 2yuf n SER 141 Cb 0.40 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49