#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 -0.24 -2.63 1.61 2.88 -1.26 -4.99 113.62 109.00 2yuf n SER 2 Ca 0.00 1.34 -0.08 0.00 -1.33 0.00 0.00 58.87 58.79 2yuf n SER 2 Cb 0.00 -5.25 0.04 0.00 -0.75 0.00 0.00 64.21 58.25 2yuf n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuf n SER 3 N 1.70 2.39 -4.33 -3.46 7.64 -1.26 -5.09 113.62 111.21 2yuf n SER 3 Ca -0.43 -2.61 -0.17 0.00 1.01 0.00 0.00 58.87 56.67 2yuf n SER 3 Cb 0.67 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 2yuf n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuf s GLY 4 N -3.61 1.48 0.42 0.23 0.00 -1.26 -5.16 107.32 99.44 2yuf s GLY 4 Ca 0.33 -1.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 2yuf s GLY 4 CO -0.02 -1.69 0.66 -0.56 0.00 0.00 0.00 173.10 171.50 2yuf s SER 5 N -3.30 6.11 -0.27 1.64 0.01 -1.26 -5.02 113.70 111.61 2yuf s SER 5 Ca 0.26 0.54 0.09 0.00 1.31 0.00 0.00 55.95 58.14 2yuf s SER 5 Cb 0.04 -1.92 0.45 0.00 0.21 0.00 0.00 66.02 64.80 2yuf s SER 5 CO 0.07 -0.53 1.29 -0.24 0.41 0.00 0.00 173.24 174.24 2yuf n SER 6 N -2.04 3.14 -3.16 2.44 2.88 -1.26 -5.03 113.62 110.59 2yuf n SER 6 Ca -0.01 -3.83 -0.15 0.00 -1.33 0.00 0.00 58.87 53.54 2yuf n SER 6 Cb 0.56 -0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 63.48 2yuf n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yuf s GLY 7 N -3.18 1.58 -0.06 0.46 0.00 -1.26 -5.16 107.32 99.69 2yuf s GLY 7 Ca 0.45 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.59 2yuf s GLY 7 CO -0.02 -1.02 0.00 -0.54 0.00 0.00 0.00 173.10 171.52 2yuf s GLU 8 N -2.96 0.49 0.16 2.90 2.02 -1.26 -5.13 118.70 114.92 2yuf s GLU 8 Ca 0.31 0.12 -0.17 0.00 0.02 0.00 0.00 54.97 55.25 2yuf s GLU 8 Cb -0.01 -0.81 0.06 0.00 0.10 0.00 0.00 34.13 33.47 2yuf s GLU 8 CO 0.21 -0.25 0.80 0.00 0.02 0.00 0.00 175.26 176.04 2yuf n ALA 9 N 4.88 -2.06 -1.91 5.21 0.00 -1.26 -5.14 120.51 120.23 2yuf n ALA 9 Ca -0.12 -0.83 -0.29 0.00 0.00 0.00 0.00 53.44 52.20 2yuf n ALA 9 Cb 0.50 0.49 0.13 0.00 0.00 0.00 0.00 19.45 20.56 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 2.58 0.00 0.00 1.43 -1.26 -5.00 118.68 116.43 2yuf s LEU 10 Ca 0.18 0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 2yuf s LEU 10 Cb -0.02 -2.90 0.20 0.00 0.03 0.00 0.00 46.19 43.50 2yuf s LEU 10 CO 0.05 -2.23 1.25 0.47 0.23 0.00 0.00 176.35 176.12 2yuf n ASP 11 N -3.49 0.40 0.09 2.29 8.00 -1.26 -4.88 116.55 117.70 2yuf n ASP 11 Ca 0.11 -1.64 -0.06 0.00 0.71 0.00 0.00 54.79 53.91 2yuf n ASP 11 Cb 0.60 -0.92 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuf h ALA 12 N -1.51 0.57 0.02 2.24 0.00 -2.00 -2.64 119.26 115.94 2yuf h ALA 12 Ca -0.40 -0.77 -0.29 0.00 0.00 0.00 0.00 54.91 53.44 2yuf h ALA 12 Cb 1.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2yuf h ALA 12 CO 0.31 1.04 -1.64 0.00 0.00 0.00 0.00 179.25 178.97 2yuf h ALA 13 N 1.11 0.67 -0.20 0.00 0.00 -2.00 -3.32 119.26 115.51 2yuf h ALA 13 Ca -0.02 -1.38 -0.09 0.00 0.00 0.00 0.00 54.91 53.43 2yuf h ALA 13 Cb 1.52 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2yuf h ALA 13 CO 0.12 1.50 -0.23 0.00 0.00 0.00 0.00 179.25 180.64 2yuf h ALA 14 N 0.89 0.29 0.00 0.00 0.00 -1.95 -2.92 119.26 115.58 2yuf h ALA 14 Ca -0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2yuf h ALA 14 Cb 1.99 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 2yuf h ALA 14 CO 0.09 0.25 -0.02 0.00 0.00 0.00 0.00 179.25 179.57 2yuf h ALA 15 N 0.63 1.83 -0.15 0.00 0.00 -1.63 -2.35 119.26 117.60 2yuf h ALA 15 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2yuf h ALA 15 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2yuf h ALA 15 CO 0.05 0.03 -0.31 -0.07 0.00 0.00 0.00 179.25 178.96 2yuf h LEU 16 N 0.00 0.52 -1.12 0.00 3.38 -1.63 -2.87 115.31 113.58 2yuf h LEU 16 Ca -0.00 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.44 2yuf h LEU 16 Cb 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2yuf h LEU 16 CO 0.00 0.98 0.60 0.77 0.09 0.00 0.00 178.44 180.88 2yuf h SER 17 N 0.08 0.99 0.39 -0.43 4.64 -1.25 0.24 113.55 118.22 2yuf h SER 17 Ca 0.00 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2yuf h SER 17 Cb 0.90 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2yuf h SER 17 CO 0.07 0.69 -0.37 0.58 -0.87 0.00 0.00 176.83 176.93 2yuf h VAL 18 N 1.16 1.24 0.00 0.95 2.07 -1.48 -0.41 116.25 119.78 2yuf h VAL 18 Ca 0.35 -1.28 -0.25 0.00 0.82 0.00 0.00 66.70 66.33 2yuf h VAL 18 Cb -0.03 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2yuf h VAL 18 CO -0.10 0.36 -1.37 0.00 0.02 0.00 0.00 177.57 176.49 2yuf h ALA 19 N 1.63 0.58 0.05 1.67 0.00 -1.03 -2.96 119.26 119.21 2yuf h ALA 19 Ca -0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 54.91 53.43 2yuf h ALA 19 Cb 0.67 0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.67 2yuf h ALA 19 CO 0.05 1.42 -1.13 0.93 0.00 0.00 0.00 179.25 180.52 2yuf h GLU 20 N 0.00 0.67 -0.06 0.00 5.08 -0.37 -3.02 114.58 116.88 2yuf h GLU 20 Ca -0.15 -0.79 -0.03 0.00 -1.00 0.00 0.00 59.36 57.38 2yuf h GLU 20 Cb 1.89 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 31.38 2yuf h GLU 20 CO 0.10 1.35 -0.08 0.00 -1.00 0.00 0.00 179.01 179.39 2yuf h VAL 22 N -0.30 0.78 0.00 0.00 3.04 -1.64 0.32 116.25 118.45 2yuf h VAL 22 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2yuf h VAL 22 Cb 0.61 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 2yuf h VAL 22 CO 0.02 0.00 -0.47 -0.33 -1.01 0.00 0.00 177.57 175.78 2yuf h GLU 23 N 0.00 0.00 0.00 4.17 5.08 -1.44 -2.52 114.58 119.87 2yuf h GLU 23 Ca 0.10 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.23 2yuf h GLU 23 Cb 0.45 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2yuf h GLU 23 CO -0.00 0.00 -1.80 0.54 -1.00 0.00 0.00 179.01 176.75 2yuf n ARG 24 N -2.88 0.64 -0.00 2.33 5.12 0.15 -4.15 116.66 117.87 2yuf n ARG 24 Ca 0.02 0.15 -0.09 0.00 -1.93 0.00 0.00 57.85 56.00 2yuf n ARG 24 Cb 0.54 -1.71 -0.14 0.00 -1.16 0.00 0.00 32.46 29.99 2yuf n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yuf h MET 25 N 0.00 0.02 0.22 5.56 -0.00 -0.60 -3.36 114.93 116.78 2yuf h MET 25 Ca -0.28 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2yuf h MET 25 Cb 1.82 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 33.43 2yuf h MET 25 CO 0.05 0.63 -0.15 0.00 -0.00 0.00 0.00 176.91 177.44 2yuf h ALA 26 N 0.94 -0.35 -0.70 -3.00 0.00 -1.63 0.39 119.26 114.90 2yuf h ALA 26 Ca -0.24 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.71 2yuf h ALA 26 Cb 1.97 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 2yuf h ALA 26 CO 0.09 -0.71 0.47 -1.35 0.00 0.00 0.00 179.25 177.75 2yuf h PRO 27 N -0.37 0.51 0.11 0.00 0.11 -1.74 -1.76 132.00 128.86 2yuf h PRO 27 Ca -0.02 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.79 2yuf h PRO 27 Cb 0.32 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 2yuf h PRO 27 CO 0.01 0.34 -1.32 1.79 -0.21 0.00 0.00 178.00 178.61 2yuf h THR 28 N 0.52 1.40 -3.86 -1.15 1.35 -1.61 -3.46 112.91 106.10 2yuf h THR 28 Ca 0.33 -3.01 -0.52 0.00 -0.55 0.00 0.00 66.41 62.66 2yuf h THR 28 Cb 0.58 2.86 0.05 0.00 -1.73 0.00 0.00 68.15 69.91 2yuf h THR 28 CO -0.11 0.87 0.57 -0.76 -0.25 0.00 0.00 175.52 175.84 2yuf s LEU 29 N -7.01 4.45 0.85 3.87 1.43 0.13 -5.02 118.68 117.38 2yuf s LEU 29 Ca -0.05 2.53 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 2yuf s LEU 29 Cb 0.07 -3.67 0.10 0.00 0.03 0.00 0.00 46.19 42.72 2yuf s LEU 29 CO 0.87 -0.42 1.11 -2.16 0.23 0.00 0.00 176.35 175.98 2yuf s PRO 30 N -1.72 1.65 0.27 1.29 0.04 -1.26 -4.89 135.00 130.37 2yuf s PRO 30 Ca 0.48 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.00 2yuf s PRO 30 Cb -0.36 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2yuf s PRO 30 CO 0.48 -1.89 0.48 0.15 0.04 0.00 0.00 177.00 176.26 2yuf s LYS 31 N -5.20 3.54 0.47 4.56 -0.14 -1.26 -5.11 119.74 116.58 2yuf s LYS 31 Ca 0.62 -0.26 0.07 0.00 -1.36 0.00 0.00 55.97 55.04 2yuf s LYS 31 Cb -0.15 -2.74 0.01 0.00 -1.68 0.00 0.00 37.83 33.27 2yuf s LYS 31 CO 0.54 0.28 0.45 0.45 -0.76 0.00 0.00 175.35 176.30 2yuf s SER 32 N -3.45 4.99 -0.66 2.83 0.15 -1.26 -5.05 113.70 111.24 2yuf s SER 32 Ca 0.40 -0.86 -0.28 0.00 0.70 0.00 0.00 55.95 55.91 2yuf s SER 32 Cb -0.10 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.01 2yuf s SER 32 CO 0.31 -0.86 1.28 -1.81 1.20 0.00 0.00 173.24 173.37 2yuf s ASP 33 N -4.25 6.24 0.35 5.45 1.01 -1.26 -4.86 116.67 119.35 2yuf s ASP 33 Ca 0.47 -0.14 0.10 0.00 0.71 0.00 0.00 52.55 53.68 2yuf s ASP 33 Cb -0.04 -2.56 0.65 0.00 1.01 0.00 0.00 42.92 41.99 2yuf s ASP 33 CO 0.28 -1.71 1.81 -0.07 0.21 0.00 0.00 175.17 175.69 2yuf h LEU 34 N 12.73 0.15 -0.78 1.23 3.38 -2.00 -2.60 115.31 127.41 2yuf h LEU 34 Ca -0.27 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 2yuf h LEU 34 Cb 1.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2yuf h LEU 34 CO 1.23 0.46 -0.56 -1.13 0.09 0.00 0.00 178.44 178.53 2yuf h ASN 35 N 0.13 0.14 0.31 -0.43 -1.24 -2.00 -2.63 115.58 109.87 2yuf h ASN 35 Ca 0.02 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 2yuf h ASN 35 Cb 0.62 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2yuf h ASN 35 CO 0.05 0.68 -0.15 -0.08 -1.29 0.00 0.00 177.43 176.63 2yuf h GLU 36 N 0.10 -0.40 -0.06 6.67 4.81 -1.87 -2.57 114.58 121.25 2yuf h GLU 36 Ca -0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2yuf h GLU 36 Cb 1.03 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2yuf h GLU 36 CO 0.08 -0.09 0.03 -0.39 -0.73 0.00 0.00 179.01 177.91 2yuf h VAL 37 N -0.73 1.02 -0.12 0.32 -1.51 -1.56 -2.50 116.25 111.17 2yuf h VAL 37 Ca -0.04 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 2yuf h VAL 37 Cb 0.49 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2yuf h VAL 37 CO 0.07 0.02 0.03 0.11 -1.23 0.00 0.00 177.57 176.58 2yuf h LYS 38 N 0.08 0.19 -0.28 5.19 1.57 -1.35 -2.64 116.57 119.33 2yuf h LYS 38 Ca 0.02 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2yuf h LYS 38 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2yuf h LYS 38 CO -0.00 0.35 0.20 0.93 -0.57 0.00 0.00 179.45 180.36 2yuf h GLU 39 N -0.00 0.00 -0.05 3.15 5.08 -1.04 0.66 114.58 122.39 2yuf h GLU 39 Ca 0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2yuf h GLU 39 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2yuf h GLU 39 CO 0.00 0.00 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.41 2yuf h LEU 40 N 0.00 0.14 0.21 1.33 3.38 -1.35 -2.56 115.31 116.47 2yuf h LEU 40 Ca 0.13 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.69 2yuf h LEU 40 Cb 0.53 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.26 2yuf h LEU 40 CO -0.00 0.65 -1.62 -0.07 0.09 0.00 0.00 178.44 177.48 2yuf h LEU 41 N 0.10 0.71 -1.89 1.67 3.38 -0.76 -2.45 115.31 116.08 2yuf h LEU 41 Ca 0.00 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.02 2yuf h LEU 41 Cb 0.97 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2yuf h LEU 41 CO 0.08 1.75 -0.11 0.11 0.09 0.00 0.00 178.44 180.36 2yuf h LYS 42 N 0.10 0.00 0.07 1.13 1.57 -1.00 -2.65 116.57 115.79 2yuf h LYS 42 Ca -0.31 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.16 2yuf h LYS 42 Cb 2.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.39 2yuf h LYS 42 CO 0.22 0.11 -1.76 0.00 -0.57 0.00 0.00 179.45 177.45 2yuf h THR 43 N 0.00 0.85 -2.11 -0.16 1.03 -1.55 -3.48 112.91 107.50 2yuf h THR 43 Ca -0.00 -2.61 -0.44 0.00 -0.01 0.00 0.00 66.41 63.34 2yuf h THR 43 Cb 0.22 2.53 0.05 0.00 -1.07 0.00 0.00 68.15 69.87 2yuf h THR 43 CO 0.01 0.71 -0.05 0.20 -0.01 0.00 0.00 175.52 176.38 2yuf s ASN 44 N -6.62 5.15 -0.02 0.00 -0.87 -0.92 -5.06 114.94 106.61 2yuf s ASN 44 Ca -0.12 -0.22 -0.00 0.00 -1.57 0.00 0.00 52.86 50.95 2yuf s ASN 44 Cb 0.07 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.25 40.72 2yuf s ASN 44 CO 0.81 -1.23 -0.02 1.17 -2.57 0.00 0.00 177.10 175.26 2yuf n LYS 45 N -2.34 0.05 0.37 -0.60 3.00 -1.26 -4.43 118.16 112.96 2yuf n LYS 45 Ca 0.10 0.01 -0.18 0.00 -0.00 0.00 0.00 58.31 58.24 2yuf n LYS 45 Cb 0.60 -0.90 -0.09 0.00 0.00 0.00 0.00 35.03 34.63 2yuf n LYS 45 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2yuf h LYS 46 N -0.02 -0.92 -0.12 1.64 1.63 -1.97 0.42 116.57 117.24 2yuf h LYS 46 Ca -0.05 0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2yuf h LYS 46 Cb 1.07 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 2yuf h LYS 46 CO -0.02 -0.61 0.03 -0.07 -3.45 0.00 0.00 179.45 175.34 2yuf h LEU 47 N -0.95 0.15 -0.35 5.20 3.38 -1.92 0.59 115.31 121.40 2yuf h LEU 47 Ca -0.09 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 2yuf h LEU 47 Cb 0.74 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2yuf h LEU 47 CO 0.13 0.15 -0.74 0.00 0.09 0.00 0.00 178.44 178.07 2yuf h ALA 48 N 1.87 0.67 0.00 1.53 0.00 -1.68 -1.85 119.26 119.80 2yuf h ALA 48 Ca 0.04 -0.68 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 2yuf h ALA 48 Cb 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2yuf h ALA 48 CO -0.00 0.93 -1.59 -0.22 0.00 0.00 0.00 179.25 178.37 2yuf h LYS 49 N 0.00 0.00 0.02 0.00 3.64 0.93 -2.70 116.57 118.45 2yuf h LYS 49 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2yuf h LYS 49 Cb 1.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2yuf h LYS 49 CO 0.10 0.53 -0.01 1.98 -2.27 0.00 0.00 179.45 179.78 2yuf h MET 50 N 0.00 -0.02 -0.74 1.90 4.05 0.10 -3.42 114.93 116.80 2yuf h MET 50 Ca -0.24 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.68 2yuf h MET 50 Cb 1.94 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 32.32 2yuf h MET 50 CO 0.08 -0.01 -0.86 0.44 0.23 0.00 0.00 176.91 176.78 2yuf n ILE 51 N -2.62 2.32 -0.12 1.77 -5.35 -0.80 -4.74 119.36 109.82 2yuf n ILE 51 Ca -0.00 -4.05 -0.15 0.00 -0.27 0.00 0.00 62.75 58.28 2yuf n ILE 51 Cb 0.01 -0.77 -0.13 0.00 -1.74 0.00 0.00 39.64 37.01 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 -0.68 -0.59 0.21 3.28 0.00 -0.76 -4.37 105.19 102.28 2yuf n GLY 52 Ca 0.38 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.00 -0.20 1.61 2.07 -1.84 -2.56 115.15 114.23 2yuf h HIS 53 Ca -0.56 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 56.91 2yuf h HIS 53 Cb 2.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.99 2yuf h HIS 53 CO 0.02 0.27 -0.09 0.82 -3.07 0.00 0.00 177.93 175.88 2yuf h ILE 54 N 0.00 1.18 0.21 6.12 2.04 -1.90 0.08 117.51 125.24 2yuf h ILE 54 Ca -0.00 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2yuf h ILE 54 Cb 0.55 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2yuf h ILE 54 CO 0.04 0.25 -0.10 -0.26 0.00 0.00 0.00 178.15 178.08 2yuf h PHE 55 N 0.31 -0.26 0.00 1.37 0.04 -1.66 -3.10 116.94 113.63 2yuf h PHE 55 Ca 0.06 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2yuf h PHE 55 Cb 0.36 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2yuf h PHE 55 CO 0.01 0.09 -0.21 0.93 -0.60 0.00 0.00 178.31 178.53 2yuf h GLU 56 N -0.66 0.00 -6.86 1.51 5.08 -1.54 -3.45 114.58 108.66 2yuf h GLU 56 Ca -0.03 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.77 2yuf h GLU 56 Cb 0.47 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.89 2yuf h GLU 56 CO 0.05 0.21 0.07 -0.12 -1.00 0.00 0.00 179.01 178.21 2yuf n MET 57 N -3.67 0.69 -1.21 2.33 1.56 0.01 -4.93 117.12 111.90 2yuf n MET 57 Ca -0.01 0.28 -0.34 0.00 -0.27 0.00 0.00 57.70 57.36 2yuf n MET 57 Cb 0.33 -2.16 0.12 0.00 2.15 0.00 0.00 33.22 33.66 2yuf n MET 57 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2yuf n ASN 58 N -1.09 1.11 0.00 6.12 3.02 -1.26 -4.95 115.26 118.21 2yuf n ASN 58 Ca 0.13 0.62 -0.07 0.00 -0.03 0.00 0.00 54.58 55.24 2yuf n ASN 58 Cb 0.48 -1.51 -0.12 0.00 -0.61 0.00 0.00 39.78 38.03 2yuf n ASN 58 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2yuf h ASP 59 N -0.67 0.00 -0.86 6.41 3.58 -1.94 -3.35 116.42 119.60 2yuf h ASP 59 Ca -0.47 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.42 2yuf h ASP 59 Cb 1.31 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 42.11 2yuf h ASP 59 CO 0.47 0.92 0.73 -0.90 -2.88 0.00 0.00 179.24 177.57 2yuf n ASP 60 N -3.06 6.78 -4.34 2.28 5.68 -1.26 -4.92 116.55 117.72 2yuf n ASP 60 Ca -0.13 -3.56 -0.32 0.00 -0.50 0.00 0.00 54.79 50.28 2yuf n ASP 60 Cb 0.99 -0.97 -0.15 0.00 -1.14 0.00 0.00 41.12 39.85 2yuf n ASP 60 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2yuf s ASP 61 N -1.24 3.50 0.32 -1.12 1.11 -1.26 -5.02 116.67 112.95 2yuf s ASP 61 Ca 0.55 -0.39 0.13 0.00 0.18 0.00 0.00 52.55 53.02 2yuf s ASP 61 Cb 0.43 -0.98 0.50 0.00 1.07 0.00 0.00 42.92 43.94 2yuf s ASP 61 CO 0.01 0.26 1.67 1.55 1.18 0.00 0.00 175.17 179.84 2yuf h PRO 62 N 5.99 0.00 0.00 8.23 0.13 -1.93 -3.01 132.00 141.41 2yuf h PRO 62 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 2yuf h PRO 62 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2yuf h PRO 62 CO 0.50 0.52 -0.10 0.45 -0.23 0.00 0.00 178.00 179.13 2yuf h HIS 63 N 0.00 0.00 -0.21 1.56 3.86 -1.97 -2.80 115.15 115.59 2yuf h HIS 63 Ca -0.01 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2yuf h HIS 63 Cb 0.99 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 2yuf h HIS 63 CO 0.00 0.10 -0.01 -0.22 0.86 0.00 0.00 177.93 178.65 2yuf h LYS 64 N 0.00 0.05 -0.68 2.45 3.64 -1.85 -0.80 116.57 119.38 2yuf h LYS 64 Ca -0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2yuf h LYS 64 Cb 0.22 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2yuf h LYS 64 CO 0.01 0.03 0.43 1.49 -2.27 0.00 0.00 179.45 179.15 2yuf h GLU 65 N 0.05 0.83 -0.10 1.90 4.81 -1.68 0.33 114.58 120.72 2yuf h GLU 65 Ca 0.10 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2yuf h GLU 65 Cb 0.13 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2yuf h GLU 65 CO -0.18 0.55 -0.09 0.93 -0.73 0.00 0.00 179.01 179.49 2yuf h GLU 66 N 0.85 0.15 0.05 1.92 4.39 -1.45 -0.27 114.58 120.23 2yuf h GLU 66 Ca 0.27 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.72 2yuf h GLU 66 Cb -0.00 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2yuf h GLU 66 CO -0.10 0.25 -0.91 0.93 -1.16 0.00 0.00 179.01 178.02 2yuf h GLU 67 N 0.15 0.52 -0.58 2.33 4.39 -0.12 -2.43 114.58 118.84 2yuf h GLU 67 Ca 0.03 -0.64 -0.10 0.00 0.34 0.00 0.00 59.36 59.00 2yuf h GLU 67 Cb 0.26 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2yuf h GLU 67 CO 0.01 1.25 -0.01 0.82 -1.16 0.00 0.00 179.01 179.93 2yuf h ILE 68 N 0.08 1.27 -0.05 3.13 2.04 -0.66 -2.75 117.51 120.57 2yuf h ILE 68 Ca -0.13 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.47 2yuf h ILE 68 Cb 1.62 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2yuf h ILE 68 CO 0.18 0.41 -0.50 0.08 0.00 0.00 0.00 178.15 178.33 2yuf h ARG 69 N 0.92 0.13 0.78 2.37 0.11 -1.14 -0.39 114.38 117.16 2yuf h ARG 69 Ca 0.16 -0.07 -0.04 0.00 0.10 0.00 0.00 59.98 60.14 2yuf h ARG 69 Cb 0.56 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.65 2yuf h ARG 69 CO 0.03 0.60 -0.38 -0.22 0.10 0.00 0.00 179.97 180.10 2yuf h LYS 70 N 0.10 -1.01 0.00 0.08 3.64 -1.19 -3.10 116.57 115.09 2yuf h LYS 70 Ca 0.00 0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2yuf h LYS 70 Cb 0.91 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2yuf h LYS 70 CO 0.07 -0.66 -0.40 1.88 -2.27 0.00 0.00 179.45 178.07 2yuf h TYR 71 N -1.18 0.00 -0.27 1.91 0.05 -1.54 -3.40 116.97 112.53 2yuf h TYR 71 Ca -0.11 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 2yuf h TYR 71 Cb 0.82 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 2yuf h TYR 71 CO -0.00 0.40 0.03 -1.12 -1.05 0.00 0.00 178.16 176.42 2yuf s SER 72 N -6.70 3.71 -0.10 3.88 0.01 -0.16 -4.84 113.70 109.51 2yuf s SER 72 Ca -0.02 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.89 2yuf s SER 72 Cb 0.13 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.84 2yuf s SER 72 CO 0.71 -4.21 0.21 0.00 0.41 0.00 0.00 173.24 170.36 2yuf s ALA 73 N 15.63 -0.43 -0.04 1.44 0.00 -1.26 -4.78 121.76 132.32 2yuf s ALA 73 Ca 0.89 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.75 2yuf s ALA 73 Cb -0.10 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.42 2yuf s ALA 73 CO 0.11 -0.32 1.01 -0.89 0.00 0.00 0.00 175.76 175.67 2yuf n ILE 74 N 4.59 0.59 0.00 0.00 5.41 -1.26 -4.87 119.36 123.82 2yuf n ILE 74 Ca -0.19 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 62.85 2yuf n ILE 74 Cb 0.52 0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 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 -0.44 -0.39 0.00 1.39 4.02 -1.26 -5.03 117.16 115.45 2yuf n TYR 75 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2yuf n TYR 75 Cb 0.65 0.46 0.00 0.00 -0.02 0.00 0.00 39.34 40.43 2yuf n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2yuf n GLY 76 N 0.99 3.34 0.00 2.72 0.00 -1.26 -5.06 105.19 105.92 2yuf n GLY 76 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.01 1.61 0.63 -1.26 -4.87 116.66 112.75 2yuf n ARG 77 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2yuf n ARG 77 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 2yuf n ARG 77 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2yuf h PHE 78 N 0.39 0.00 -3.30 -0.14 -0.00 -2.00 -3.45 116.94 108.43 2yuf h PHE 78 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.97 57.40 2yuf h PHE 78 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 35.89 2yuf h PHE 78 CO 0.00 0.94 0.85 0.34 -0.00 0.00 0.00 178.31 180.44 2yuf s ASP 79 N -6.06 6.93 0.41 -0.68 2.15 -1.26 -5.02 116.67 113.13 2yuf s ASP 79 Ca -0.04 1.06 0.03 0.00 0.43 0.00 0.00 52.55 54.03 2yuf s ASP 79 Cb 0.08 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.19 2yuf s ASP 79 CO 0.82 -0.88 0.25 -1.20 -0.17 0.00 0.00 175.17 173.99 2yuf n SER 80 N 6.88 2.46 -3.59 -0.34 7.64 -1.26 -5.16 113.62 120.25 2yuf n SER 80 Ca 0.12 -2.47 -0.06 0.00 1.01 0.00 0.00 58.87 57.47 2yuf n SER 80 Cb 0.47 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 2yuf n SER 80 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2yuf s LYS 81 N -3.63 0.93 0.52 1.43 2.36 -1.26 -5.16 119.74 114.93 2yuf s LYS 81 Ca 0.19 -0.42 0.00 0.00 -2.55 0.00 0.00 55.97 53.19 2yuf s LYS 81 Cb -0.01 0.38 0.00 0.00 -1.05 0.00 0.00 37.83 37.14 2yuf s LYS 81 CO 0.12 -0.41 0.00 -2.13 1.55 0.00 0.00 175.35 174.48 2yuf n ARG 82 N -0.32 -3.16 -3.84 4.03 0.63 -1.26 -4.85 116.66 107.88 2yuf n ARG 82 Ca -0.08 2.44 -0.30 0.00 -0.92 0.00 0.00 57.85 58.99 2yuf n ARG 82 Cb 0.61 -3.75 -0.15 0.00 0.45 0.00 0.00 32.46 29.62 2yuf n ARG 82 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2yuf s LYS 83 N -3.56 1.09 0.00 -0.14 3.01 -1.26 -4.93 119.74 113.95 2yuf s LYS 83 Ca 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 55.97 53.89 2yuf s LYS 83 Cb 0.00 -2.37 0.00 0.00 -1.01 0.00 0.00 37.83 34.45 2yuf s LYS 83 CO 0.00 -0.81 0.00 -3.47 0.51 0.00 0.00 175.35 171.58 2yuf n ASP 84 N 4.74 0.00 0.00 2.83 2.03 -1.26 -5.08 116.55 119.80 2yuf n ASP 84 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2yuf n ASP 84 Cb 0.43 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2yuf n GLY 85 N -1.23 0.00 1.19 0.27 0.00 -1.26 -5.18 105.19 98.98 2yuf n GLY 85 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 1.12 0.00 1.61 0.00 -1.26 -4.73 118.16 114.90 2yuf n LYS 86 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 58.31 57.28 2yuf n LYS 86 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 35.03 35.08 2yuf n LYS 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2yuf n HIS 87 N -1.07 0.00 -4.16 5.64 8.25 -1.26 -4.45 115.22 118.18 2yuf n HIS 87 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 2yuf n HIS 87 Cb 0.19 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.13 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 0.00 1.45 -0.14 2.41 1.43 -1.26 -4.92 118.68 117.66 2yuf s LEU 88 Ca 0.00 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2yuf s LEU 88 Cb 0.00 -0.94 -0.08 0.00 0.03 0.00 0.00 46.19 45.20 2yuf s LEU 88 CO 0.00 -0.05 -0.14 1.07 0.23 0.00 0.00 176.35 177.45 2yuf n THR 89 N 4.56 0.78 0.06 5.49 5.66 -1.26 -4.94 114.28 124.63 2yuf n THR 89 Ca -0.17 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2yuf n THR 89 Cb 0.51 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.06 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 -3.15 -1.07 -0.36 1.09 7.94 -1.26 -4.93 117.00 115.25 2yuf n LEU 90 Ca -0.26 0.46 -0.01 0.00 -1.11 0.00 0.00 56.01 55.09 2yuf n LEU 90 Cb 0.74 1.27 0.12 0.00 0.53 0.00 0.00 43.42 46.08 2yuf n LEU 90 CO 0.09 0.03 1.28 -0.74 -1.11 0.00 0.00 177.39 176.95 2yuf h HIS 91 N 0.00 1.22 -0.04 1.96 2.76 -1.97 -1.67 115.15 117.41 2yuf h HIS 91 Ca 0.00 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2yuf h HIS 91 Cb 0.00 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 28.54 2yuf h HIS 91 CO 0.00 0.74 -0.43 0.93 -1.30 0.00 0.00 177.93 177.87 2yuf h GLU 92 N 1.29 0.08 -0.28 5.26 3.07 -1.93 -2.62 114.58 119.45 2yuf h GLU 92 Ca 0.37 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.13 2yuf h GLU 92 Cb -0.09 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 2yuf h GLU 92 CO -0.10 0.50 -0.09 -0.07 -1.40 0.00 0.00 179.01 177.86 2yuf h LEU 93 N 0.07 0.44 -0.13 1.33 3.38 -1.67 -1.90 115.31 116.82 2yuf h LEU 93 Ca 0.00 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 2yuf h LEU 93 Cb 0.80 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2yuf h LEU 93 CO 0.06 0.57 -0.97 0.74 0.09 0.00 0.00 178.44 178.93 2yuf h THR 94 N 0.43 1.59 -0.08 0.22 2.02 -1.23 -2.87 112.91 112.99 2yuf h THR 94 Ca 0.09 -3.00 -0.02 0.00 0.77 0.00 0.00 66.41 64.24 2yuf h THR 94 Cb 0.42 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2yuf h THR 94 CO 0.02 0.87 -0.03 0.58 0.37 0.00 0.00 175.52 177.33 2yuf h VAL 95 N 0.05 1.31 -0.43 3.16 2.07 -1.11 0.81 116.25 122.11 2yuf h VAL 95 Ca -0.04 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 2yuf h VAL 95 Cb 1.67 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 2yuf h VAL 95 CO 0.14 0.28 0.02 0.78 0.02 0.00 0.00 177.57 178.81 2yuf h ASN 96 N -0.18 0.64 0.21 0.57 4.21 -1.45 -1.86 115.58 117.72 2yuf h ASN 96 Ca 0.02 -0.13 -0.28 0.00 1.21 0.00 0.00 56.30 57.12 2yuf h ASN 96 Cb 0.46 -0.17 0.03 0.00 -1.12 0.00 0.00 38.32 37.52 2yuf h ASN 96 CO 0.01 0.70 -1.22 -0.33 -1.29 0.00 0.00 177.43 175.30 2yuf h GLU 97 N 0.64 0.45 -0.14 0.81 4.39 -1.45 -3.06 114.58 116.22 2yuf h GLU 97 Ca 0.13 -0.76 0.01 0.00 0.34 0.00 0.00 59.36 59.08 2yuf h GLU 97 Cb 0.37 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2yuf h GLU 97 CO 0.01 1.37 0.10 0.00 -1.16 0.00 0.00 179.01 179.32 2yuf h ALA 98 N 0.12 1.96 0.04 3.43 0.00 0.77 -1.68 119.26 123.91 2yuf h ALA 98 Ca -0.21 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 2yuf h ALA 98 Cb 1.96 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2yuf h ALA 98 CO 0.23 0.02 -1.03 0.00 0.00 0.00 0.00 179.25 178.46 2yuf h ALA 99 N 1.92 0.28 -0.35 0.00 0.00 -1.40 -3.12 119.26 116.59 2yuf h ALA 99 Ca 0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2yuf h ALA 99 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2yuf h ALA 99 CO -0.01 0.85 0.04 0.00 0.00 0.00 0.00 179.25 180.13 2yuf h ALA 100 N 0.68 0.46 -0.81 0.00 0.00 -1.22 -1.31 119.26 117.06 2yuf h ALA 100 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2yuf h ALA 100 Cb 1.69 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2yuf h ALA 100 CO 0.18 0.18 0.52 1.96 0.00 0.00 0.00 179.25 182.09 2yuf h GLN 101 N 0.41 1.07 -0.10 0.00 4.20 -1.45 -2.00 115.11 117.25 2yuf h GLN 101 Ca 0.10 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.59 2yuf h GLN 101 Cb 0.38 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2yuf h GLN 101 CO 0.01 0.72 -0.61 -0.07 -0.67 0.00 0.00 178.83 178.21 2yuf h LEU 102 N 1.10 0.41 -1.02 1.46 3.38 -1.45 -3.10 115.31 116.10 2yuf h LEU 102 Ca 0.29 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2yuf h LEU 102 Cb -0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2yuf h LEU 102 CO -0.06 0.92 0.19 0.00 0.09 0.00 0.00 178.44 179.58 2yuf h VAL 104 N 0.88 1.12 -0.17 0.00 2.07 -1.36 -2.71 116.25 116.07 2yuf h VAL 104 Ca 0.20 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2yuf h VAL 104 Cb 0.25 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2yuf h VAL 104 CO -0.01 0.09 0.01 0.11 0.02 0.00 0.00 177.57 177.79 2yuf h LYS 105 N -0.13 0.24 -3.41 1.57 1.79 -1.48 -3.39 116.57 111.76 2yuf h LYS 105 Ca 0.00 -0.03 -0.49 0.00 -2.18 0.00 0.00 60.65 57.95 2yuf h LYS 105 Cb 0.15 -0.05 -0.40 0.00 -1.58 0.00 0.00 32.23 30.35 2yuf h LYS 105 CO -0.00 0.26 -0.76 0.34 -1.08 0.00 0.00 179.45 178.21 2yuf s ASP 106 N -6.89 2.60 0.38 0.86 2.15 -0.74 -5.00 116.67 110.03 2yuf s ASP 106 Ca -0.06 -0.68 0.12 0.00 0.43 0.00 0.00 52.55 52.35 2yuf s ASP 106 Cb 0.16 -0.47 0.75 0.00 -0.30 0.00 0.00 42.92 43.07 2yuf s ASP 106 CO 0.71 -0.31 1.86 -1.13 -0.17 0.00 0.00 175.17 176.13 2yuf h ASN 107 N 8.31 0.08 0.12 -0.34 -0.00 -1.73 -2.48 115.58 119.53 2yuf h ASN 107 Ca -0.16 -0.02 -0.02 0.00 -0.00 0.00 0.00 56.30 56.09 2yuf h ASN 107 Cb 1.13 -0.02 -0.00 0.00 -0.00 0.00 0.00 38.32 39.43 2yuf h ASN 107 CO 0.31 0.37 -0.12 0.00 -0.00 0.00 0.00 177.43 178.00 2yuf h ALA 108 N 1.63 1.80 0.00 1.57 0.00 -1.95 -1.75 119.26 120.56 2yuf h ALA 108 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2yuf h ALA 108 Cb 0.56 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2yuf h ALA 108 CO 0.04 0.15 -0.09 -0.07 0.00 0.00 0.00 179.25 179.28 2yuf h LEU 109 N 0.00 0.00 -1.42 0.00 3.38 -1.74 -2.13 115.31 113.39 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 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2yuf h LEU 109 CO 0.02 0.09 0.45 -0.07 0.09 0.00 0.00 178.44 179.02 2yuf h LEU 110 N 0.00 0.62 -0.18 1.67 3.38 -1.44 -1.34 115.31 118.02 2yuf h LEU 110 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2yuf h LEU 110 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2yuf h LEU 110 CO 0.01 0.41 -0.93 0.71 0.09 0.00 0.00 178.44 178.73 2yuf h THR 111 N 0.71 1.60 -3.02 0.22 1.35 -1.53 -3.44 112.91 108.80 2yuf h THR 111 Ca 0.29 -2.98 -0.55 0.00 -0.55 0.00 0.00 66.41 62.62 2yuf h THR 111 Cb 0.24 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 2yuf h THR 111 CO -0.09 0.86 0.75 -0.13 -0.25 0.00 0.00 175.52 176.65 2yuf s ARG 112 N -2.97 4.33 -0.21 4.72 1.81 -0.51 -4.91 118.95 121.21 2yuf s ARG 112 Ca -0.01 1.78 0.13 0.00 -1.72 0.00 0.00 55.73 55.91 2yuf s ARG 112 Cb 0.10 -3.56 -0.23 0.00 -0.45 0.00 0.00 34.95 30.81 2yuf s ARG 112 CO 0.82 -0.49 0.02 0.54 -0.68 0.00 0.00 175.30 175.51 2yuf n ARG 113 N 5.26 0.68 -0.03 3.54 3.00 -1.26 -3.97 116.66 123.87 2yuf n ARG 113 Ca 0.12 0.06 -0.18 0.00 -0.01 0.00 0.00 57.85 57.84 2yuf n ARG 113 Cb 0.45 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 31.24 2yuf n ARG 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2yuf n ASP 114 N -2.92 1.73 -0.23 0.55 -0.08 -1.26 -3.12 116.55 111.23 2yuf n ASP 114 Ca -0.36 0.17 -0.07 0.00 -1.51 0.00 0.00 54.79 53.02 2yuf n ASP 114 Cb 1.10 -0.51 0.04 0.00 2.34 0.00 0.00 41.12 44.09 2yuf n ASP 114 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2yuf h GLU 115 N 0.04 0.96 0.00 -0.67 4.57 -1.95 -1.99 114.58 115.55 2yuf h GLU 115 Ca -0.44 -0.19 -0.18 0.00 -1.18 0.00 0.00 59.36 57.38 2yuf h GLU 115 Cb 2.02 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 30.44 2yuf h GLU 115 CO 0.05 0.82 -0.84 1.25 -1.18 0.00 0.00 179.01 179.11 2yuf h LEU 116 N 0.90 0.06 -1.26 1.64 5.85 -1.75 -2.69 115.31 118.07 2yuf h LEU 116 Ca 0.21 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2yuf h LEU 116 Cb 0.23 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2yuf h LEU 116 CO -0.01 0.87 -0.35 0.15 -0.34 0.00 0.00 178.44 178.76 2yuf h PHE 117 N 0.03 0.05 0.15 1.25 3.57 -1.43 -1.48 116.94 119.07 2yuf h PHE 117 Ca -0.02 -0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.24 2yuf h PHE 117 Cb 1.48 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 40.22 2yuf h PHE 117 CO 0.01 0.39 -1.08 0.00 -2.23 0.00 0.00 178.31 175.40 2yuf h ALA 118 N 1.61 -0.03 -0.03 2.41 0.00 -1.34 -2.99 119.26 118.89 2yuf h ALA 118 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 2yuf h ALA 118 Cb 0.64 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2yuf h ALA 118 CO 0.05 0.55 0.02 -0.07 0.00 0.00 0.00 179.25 179.79 2yuf h LEU 119 N -0.28 0.04 -0.04 0.00 3.38 -1.42 -1.33 115.31 115.66 2yuf h LEU 119 Ca -0.20 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2yuf h LEU 119 Cb 1.75 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 2yuf h LEU 119 CO 0.14 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2yuf h ALA 120 N 0.93 0.04 -0.06 1.53 0.00 -1.42 -2.04 119.26 118.23 2yuf h ALA 120 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2yuf h ALA 120 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2yuf h ALA 120 CO -0.00 -0.48 0.05 -0.09 0.00 0.00 0.00 179.25 178.72 2yuf h ARG 121 N 0.02 0.00 -0.23 0.00 2.43 -1.45 -2.27 114.38 112.88 2yuf h ARG 121 Ca 0.02 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2yuf h ARG 121 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2yuf h ARG 121 CO -0.03 0.00 0.08 0.37 -1.51 0.00 0.00 179.97 178.88 2yuf h GLN 122 N 0.00 0.18 -0.00 0.20 4.15 -0.48 -2.34 115.11 116.82 2yuf h GLN 122 Ca 0.03 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 2yuf h GLN 122 Cb 0.12 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2yuf h GLN 122 CO -0.00 0.12 -0.63 0.82 -1.93 0.00 0.00 178.83 177.21 2yuf h ILE 123 N 0.19 1.45 -0.43 2.39 2.04 -1.39 -2.69 117.51 119.08 2yuf h ILE 123 Ca 0.10 -2.16 0.08 0.00 1.00 0.00 0.00 64.86 63.88 2yuf h ILE 123 Cb 0.07 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 2yuf h ILE 123 CO -0.10 0.62 0.30 -1.28 0.00 0.00 0.00 178.15 177.68 2yuf h SER 124 N 0.00 0.23 0.15 1.72 0.87 -0.95 -0.43 113.55 115.13 2yuf h SER 124 Ca -0.01 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2yuf h SER 124 Cb 1.12 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2yuf h SER 124 CO 0.08 0.14 -1.91 0.03 -0.53 0.00 0.00 176.83 174.64 2yuf h ARG 125 N 0.25 0.31 -0.05 2.24 3.08 -1.39 -3.13 114.38 115.69 2yuf h ARG 125 Ca 0.20 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2yuf h ARG 125 Cb 0.45 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2yuf h ARG 125 CO -0.04 1.25 0.03 1.49 -1.07 0.00 0.00 179.97 181.64 2yuf h GLU 126 N 0.07 0.06 0.00 0.04 4.22 -1.10 0.65 114.58 118.52 2yuf h GLU 126 Ca -0.40 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.03 2yuf h GLU 126 Cb 2.05 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.29 2yuf h GLU 126 CO 0.12 0.04 -0.04 0.28 -2.18 0.00 0.00 179.01 177.22 2yuf h VAL 127 N 0.06 1.69 -0.08 0.32 2.07 -1.23 -3.21 116.25 115.87 2yuf h VAL 127 Ca 0.02 -2.29 -0.08 0.00 0.82 0.00 0.00 66.70 65.17 2yuf h VAL 127 Cb 0.00 3.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2yuf h VAL 127 CO -0.00 0.57 -0.34 0.74 0.02 0.00 0.00 177.57 178.56 2yuf h THR 128 N -1.00 1.27 0.78 2.57 2.02 -1.45 -3.24 112.91 113.86 2yuf h THR 128 Ca -0.01 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 2yuf h THR 128 Cb 0.97 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2yuf h THR 128 CO -0.01 0.38 -0.39 0.22 0.37 0.00 0.00 175.52 176.10 2yuf h TYR 129 N 0.14 -1.00 -0.92 3.16 3.20 0.19 -3.35 116.97 118.38 2yuf h TYR 129 Ca 0.02 -0.02 -0.49 0.00 3.14 0.00 0.00 58.73 61.38 2yuf h TYR 129 Cb 0.67 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.20 2yuf h TYR 129 CO 0.01 -0.62 1.28 0.15 -1.64 0.00 0.00 178.16 177.35 2yuf s LYS 130 N -5.34 3.22 -0.02 1.82 3.01 -1.21 -4.48 119.74 116.74 2yuf s LYS 130 Ca -0.16 -0.93 0.08 0.00 -1.01 0.00 0.00 55.97 53.96 2yuf s LYS 130 Cb 0.02 -5.27 0.14 0.00 -1.01 0.00 0.00 37.83 31.71 2yuf s LYS 130 CO 0.47 -2.70 1.07 0.66 0.51 0.00 0.00 175.35 175.36 2yuf n TYR 131 N 10.84 -0.08 -2.37 3.18 4.01 -1.26 -4.92 117.16 126.57 2yuf n TYR 131 Ca 0.37 -0.59 -0.43 0.00 -0.16 0.00 0.00 57.90 57.10 2yuf n TYR 131 Cb 0.49 0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 39.87 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 -0.06 3.94 0.08 -0.72 -4.23 -1.26 -5.00 115.64 108.39 2yuf s THR 132 Ca 0.10 0.98 -0.17 0.00 -1.18 0.00 0.00 61.69 61.42 2yuf s THR 132 Cb 0.13 -4.22 -0.07 0.00 1.34 0.00 0.00 72.50 69.69 2yuf s THR 132 CO -0.05 -0.73 0.52 -0.72 -0.54 0.00 0.00 174.62 173.10 2yuf s TYR 133 N 5.26 3.73 0.16 3.99 -0.85 -1.26 -5.09 117.35 123.28 2yuf s TYR 133 Ca 0.60 1.14 0.09 0.00 -0.52 0.00 0.00 57.07 58.38 2yuf s TYR 133 Cb -0.14 -2.41 -0.04 0.00 0.38 0.00 0.00 41.96 39.76 2yuf s TYR 133 CO 0.31 0.55 -0.11 -0.98 -1.52 0.00 0.00 175.55 173.81 2yuf s ARG 134 N -1.37 2.02 -0.41 -3.49 1.70 -1.26 -5.10 118.95 111.05 2yuf s ARG 134 Ca 0.30 -1.22 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 2yuf s ARG 134 Cb -0.17 -2.17 0.16 0.00 -0.57 0.00 0.00 34.95 32.20 2yuf s ARG 134 CO 0.18 0.45 0.30 0.99 -1.08 0.00 0.00 175.30 176.14 2yuf s THR 135 N -1.55 0.44 -0.35 4.99 2.01 -1.26 -5.07 115.64 114.86 2yuf s THR 135 Ca 0.23 -2.40 0.03 0.00 0.31 0.00 0.00 61.69 59.86 2yuf s THR 135 Cb -0.09 -1.32 0.10 0.00 0.01 0.00 0.00 72.50 71.20 2yuf s THR 135 CO 0.14 -1.13 0.08 -0.89 -0.69 0.00 0.00 174.62 172.13 2yuf s THR 136 N 0.35 1.97 0.53 -0.82 2.01 -1.26 -5.06 115.64 113.36 2yuf s THR 136 Ca 0.27 -2.21 0.00 0.00 0.31 0.00 0.00 61.69 60.06 2yuf s THR 136 Cb -0.07 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 69.98 2yuf s THR 136 CO -0.12 -0.64 0.00 -0.24 -0.69 0.00 0.00 174.62 172.94 2yuf n SER 137 N 4.29 -8.21 -0.08 3.53 2.88 -1.26 -5.03 113.62 109.75 2yuf n SER 137 Ca 0.03 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2yuf n SER 137 Cb 0.41 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.17 2yuf n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuf n GLY 138 N -4.29 0.89 3.57 0.46 0.00 -1.26 -5.02 105.19 99.54 2yuf n GLY 138 Ca -0.06 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.05 2.93 0.02 1.61 0.04 -1.26 -4.64 135.00 131.64 2yuf s PRO 139 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2yuf s PRO 139 Cb 0.00 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2yuf s PRO 139 CO 0.00 -2.37 0.00 0.45 0.04 0.00 0.00 177.00 175.12 2yuf n SER 140 N 11.60 0.02 -3.62 6.66 2.88 -1.26 -5.12 113.62 124.77 2yuf n SER 140 Ca 0.20 0.03 -0.14 0.00 -1.33 0.00 0.00 58.87 57.63 2yuf n SER 140 Cb 0.50 0.01 0.07 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.92 -0.29 -3.46 3.41 -1.26 -5.36 113.62 104.86 2yuf n SER 141 Ca 0.00 -1.75 0.15 0.00 -0.26 0.00 0.00 58.87 57.01 2yuf n SER 141 Cb 0.15 -0.38 0.70 0.00 -0.26 0.00 0.00 64.21 64.42 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49