#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 4.75 0.40 1.61 0.15 -1.26 -5.03 113.70 114.33 2yuf s SER 2 Ca 0.00 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2yuf s SER 2 Cb 0.00 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2yuf s SER 2 CO 0.00 0.33 0.00 -1.20 1.20 0.00 0.00 173.24 173.57 2yuf n SER 3 N 1.93 -8.60 -4.92 5.45 7.64 -1.26 -4.87 113.62 108.99 2yuf n SER 3 Ca -0.17 0.78 -0.26 0.00 1.01 0.00 0.00 58.87 60.23 2yuf n SER 3 Cb 0.53 -4.50 -0.01 0.00 -1.01 0.00 0.00 64.21 59.22 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 -7.18 1.48 0.09 0.23 0.00 -1.26 -4.95 107.32 95.73 2yuf s GLY 4 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2yuf s GLY 4 CO 0.00 -0.51 0.00 1.44 0.00 0.00 0.00 173.10 174.03 2yuf n SER 5 N -1.99 -0.85 -1.44 1.64 7.64 -1.26 -5.17 113.62 112.19 2yuf n SER 5 Ca -0.01 0.21 0.19 0.00 1.01 0.00 0.00 58.87 60.26 2yuf n SER 5 Cb 0.55 1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 64.80 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 -2.63 -8.58 0.00 6.43 7.64 -1.26 -5.03 113.62 110.19 2yuf n SER 6 Ca 0.00 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.61 2yuf n SER 6 Cb 0.00 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 58.74 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 -4.26 2.11 2.33 0.23 0.00 -1.26 -5.14 105.19 99.20 2yuf n GLY 7 Ca -0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2yuf n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuf n GLU 8 N 0.00 -2.06 0.00 1.61 4.71 -1.26 -5.07 120.64 118.58 2yuf n GLU 8 Ca 0.00 -1.18 0.00 0.00 -0.01 0.00 0.00 57.16 55.97 2yuf n GLU 8 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 2yuf n GLU 8 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yuf n ALA 9 N -4.07 0.45 -1.48 0.62 0.00 -1.26 -5.06 120.51 109.72 2yuf n ALA 9 Ca -0.13 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 2yuf n ALA 9 Cb 0.38 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.06 2yuf n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yuf n LEU 10 N -1.92 0.00 0.00 0.00 4.77 -1.26 -5.06 117.00 113.53 2yuf n LEU 10 Ca 0.00 -1.29 -0.17 0.00 -0.03 0.00 0.00 56.01 54.52 2yuf n LEU 10 Cb 0.00 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2yuf n LEU 10 CO 0.00 -1.80 0.04 -0.67 -1.33 0.00 0.00 177.39 173.64 2yuf n ASP 11 N -4.35 2.17 0.12 -1.43 -0.08 -1.26 -4.98 116.55 106.74 2yuf n ASP 11 Ca 0.16 -2.26 -0.02 0.00 -1.51 0.00 0.00 54.79 51.16 2yuf n ASP 11 Cb 0.57 -0.02 0.18 0.00 2.34 0.00 0.00 41.12 44.19 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yuf h ALA 12 N 0.71 0.99 0.16 -1.67 0.00 -1.99 -2.33 119.26 115.13 2yuf h ALA 12 Ca -0.23 -0.51 -0.29 0.00 0.00 0.00 0.00 54.91 53.88 2yuf h ALA 12 Cb 0.84 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2yuf h ALA 12 CO 0.36 0.70 -1.41 0.00 0.00 0.00 0.00 179.25 178.91 2yuf h ALA 13 N 1.34 0.08 -0.09 0.00 0.00 -2.01 -3.25 119.26 115.33 2yuf h ALA 13 Ca -0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 2yuf h ALA 13 Cb 1.02 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2yuf h ALA 13 CO 0.08 0.78 -0.07 0.00 0.00 0.00 0.00 179.25 180.04 2yuf h ALA 14 N 0.04 1.72 0.00 0.00 0.00 -1.95 -1.85 119.26 117.22 2yuf h ALA 14 Ca -0.28 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2yuf h ALA 14 Cb 1.88 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2yuf h ALA 14 CO 0.14 0.21 -0.59 0.00 0.00 0.00 0.00 179.25 179.01 2yuf h ALA 15 N 1.81 0.96 -0.47 0.00 0.00 -1.53 -3.19 119.26 116.84 2yuf h ALA 15 Ca 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2yuf h ALA 15 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2yuf h ALA 15 CO 0.01 0.74 0.27 -0.07 0.00 0.00 0.00 179.25 180.20 2yuf h LEU 16 N 0.00 0.42 -1.38 0.00 3.38 -1.36 -1.68 115.31 114.70 2yuf h LEU 16 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2yuf h LEU 16 Cb 1.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2yuf h LEU 16 CO 0.08 0.30 0.35 -1.28 0.09 0.00 0.00 178.44 177.98 2yuf h SER 17 N 0.54 0.67 0.49 -0.43 0.87 -1.57 0.29 113.55 114.40 2yuf h SER 17 Ca 0.19 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 2yuf h SER 17 Cb 0.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2yuf h SER 17 CO -0.10 0.52 -0.49 0.58 -0.53 0.00 0.00 176.83 176.81 2yuf h VAL 18 N 0.78 1.35 0.02 2.23 2.07 -1.42 0.25 116.25 121.54 2yuf h VAL 18 Ca 0.21 -1.69 -0.27 0.00 0.82 0.00 0.00 66.70 65.77 2yuf h VAL 18 Cb -0.04 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2yuf h VAL 18 CO -0.04 0.48 -1.47 0.00 0.02 0.00 0.00 177.57 176.56 2yuf h ALA 19 N 1.50 0.56 0.04 1.67 0.00 -0.42 -2.93 119.26 119.68 2yuf h ALA 19 Ca -0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 54.91 53.44 2yuf h ALA 19 Cb 0.87 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2yuf h ALA 19 CO 0.06 1.41 -1.03 0.93 0.00 0.00 0.00 179.25 180.63 2yuf h GLU 20 N 0.01 0.11 0.01 0.00 4.39 -0.37 -3.13 114.58 115.60 2yuf h GLU 20 Ca -0.20 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.23 2yuf h GLU 20 Cb 1.94 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 30.66 2yuf h GLU 20 CO 0.11 1.04 -0.44 0.00 -1.16 0.00 0.00 179.01 178.55 2yuf h VAL 22 N -0.34 0.75 0.00 0.00 3.04 -1.62 0.56 116.25 118.64 2yuf h VAL 22 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2yuf h VAL 22 Cb 1.19 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2yuf h VAL 22 CO 0.09 0.00 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.12 2yuf h GLU 23 N 0.00 0.00 0.00 4.17 5.08 -1.57 -1.93 114.58 120.34 2yuf h GLU 23 Ca 0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.11 2yuf h GLU 23 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2yuf h GLU 23 CO -0.00 0.00 -1.76 0.54 -1.00 0.00 0.00 179.01 176.79 2yuf n ARG 24 N -2.97 0.64 0.00 2.33 1.74 0.02 -4.14 116.66 114.29 2yuf n ARG 24 Ca 0.03 0.26 -0.07 0.00 -0.77 0.00 0.00 57.85 57.31 2yuf n ARG 24 Cb 0.53 -1.77 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 2yuf n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yuf h MET 25 N 0.00 0.00 0.12 5.56 -0.00 -1.18 -3.38 114.93 116.05 2yuf h MET 25 Ca -0.30 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.41 2yuf h MET 25 Cb 2.01 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.59 2yuf h MET 25 CO 0.07 0.52 -0.18 0.00 -0.00 0.00 0.00 176.91 177.32 2yuf h ALA 26 N 1.08 -0.32 -0.73 -3.00 0.00 -1.52 0.39 119.26 115.17 2yuf h ALA 26 Ca -0.22 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 54.86 2yuf h ALA 26 Cb 1.90 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.94 2yuf h ALA 26 CO 0.08 -0.71 0.52 -1.35 0.00 0.00 0.00 179.25 177.78 2yuf h PRO 27 N -0.36 0.06 0.06 0.00 0.11 -1.74 -0.71 132.00 129.42 2yuf h PRO 27 Ca 0.02 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.82 2yuf h PRO 27 Cb 0.37 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 2yuf h PRO 27 CO -0.09 0.04 -1.68 1.79 -0.21 0.00 0.00 178.00 177.86 2yuf h THR 28 N 0.07 0.94 -4.08 -1.15 1.35 -1.57 -3.47 112.91 105.00 2yuf h THR 28 Ca 0.35 -2.70 -0.52 0.00 -0.55 0.00 0.00 66.41 62.99 2yuf h THR 28 Cb 1.30 2.57 0.10 0.00 -1.73 0.00 0.00 68.15 70.39 2yuf h THR 28 CO -0.03 0.71 0.48 -0.76 -0.25 0.00 0.00 175.52 175.67 2yuf s LEU 29 N -6.61 3.73 1.19 3.87 1.43 0.13 -5.02 118.68 117.40 2yuf s LEU 29 Ca -0.10 2.38 -0.19 0.00 -1.03 0.00 0.00 54.13 55.20 2yuf s LEU 29 Cb 0.07 -4.53 0.28 0.00 0.03 0.00 0.00 46.19 42.04 2yuf s LEU 29 CO 0.82 -1.47 1.11 -2.16 0.23 0.00 0.00 176.35 174.88 2yuf s PRO 30 N -3.22 -1.14 -0.21 1.29 0.04 -1.26 -4.92 135.00 125.58 2yuf s PRO 30 Ca 0.75 -0.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.68 2yuf s PRO 30 Cb -0.30 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2yuf s PRO 30 CO 0.33 -3.66 0.05 0.15 0.04 0.00 0.00 177.00 173.91 2yuf s LYS 31 N -5.39 3.74 -0.29 4.56 3.01 -1.26 -5.05 119.74 119.07 2yuf s LYS 31 Ca 0.71 -0.45 -0.26 0.00 -1.01 0.00 0.00 55.97 54.95 2yuf s LYS 31 Cb -0.10 -3.22 0.01 0.00 -1.01 0.00 0.00 37.83 33.51 2yuf s LYS 31 CO 0.56 0.01 0.94 -1.54 0.51 0.00 0.00 175.35 175.83 2yuf s SER 32 N 1.06 6.86 -0.07 2.83 1.04 -1.26 -5.02 113.70 119.14 2yuf s SER 32 Ca 0.04 0.98 -0.27 0.00 0.48 0.00 0.00 55.95 57.18 2yuf s SER 32 Cb -0.14 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 2yuf s SER 32 CO 0.03 -0.70 0.87 -1.81 0.98 0.00 0.00 173.24 172.60 2yuf s ASP 33 N 1.51 7.15 0.30 7.02 1.11 -1.26 -4.87 116.67 127.63 2yuf s ASP 33 Ca 0.39 1.40 0.12 0.00 0.18 0.00 0.00 52.55 54.64 2yuf s ASP 33 Cb -0.14 -2.49 0.47 0.00 1.07 0.00 0.00 42.92 41.83 2yuf s ASP 33 CO 0.11 -0.27 1.67 -0.07 1.18 0.00 0.00 175.17 177.80 2yuf h LEU 34 N 7.26 0.00 -1.85 1.23 4.07 -1.99 -2.94 115.31 121.09 2yuf h LEU 34 Ca -0.37 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.60 2yuf h LEU 34 Cb 1.18 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2yuf h LEU 34 CO 0.78 0.54 0.14 -1.13 -1.08 0.00 0.00 178.44 177.69 2yuf h ASN 35 N 0.00 0.18 0.18 -0.43 -1.24 -1.99 0.26 115.58 112.54 2yuf h ASN 35 Ca -0.01 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2yuf h ASN 35 Cb 0.98 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.99 2yuf h ASN 35 CO 0.07 0.12 -0.09 -0.08 -1.29 0.00 0.00 177.43 176.17 2yuf h GLU 36 N 0.21 -0.23 -0.09 6.67 4.22 -1.94 -3.12 114.58 120.30 2yuf h GLU 36 Ca 0.08 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.54 2yuf h GLU 36 Cb 0.07 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2yuf h GLU 36 CO -0.02 0.02 0.06 -0.39 -2.18 0.00 0.00 179.01 176.50 2yuf h VAL 37 N -1.01 1.01 0.04 0.32 -1.51 -1.50 -2.52 116.25 111.07 2yuf h VAL 37 Ca -0.02 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2yuf h VAL 37 Cb 0.36 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2yuf h VAL 37 CO 0.04 0.02 -0.02 0.11 -1.23 0.00 0.00 177.57 176.49 2yuf h LYS 38 N 0.10 -0.05 -0.48 5.19 1.57 -0.57 -2.16 116.57 120.17 2yuf h LYS 38 Ca 0.04 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 2yuf h LYS 38 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2yuf h LYS 38 CO -0.01 0.01 0.34 0.93 -0.57 0.00 0.00 179.45 180.15 2yuf h GLU 39 N -0.11 0.05 0.08 3.15 4.39 -1.38 0.78 114.58 121.55 2yuf h GLU 39 Ca -0.01 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2yuf h GLU 39 Cb 0.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2yuf h GLU 39 CO 0.01 0.03 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.78 2yuf h LEU 40 N 0.05 -0.10 -1.01 1.33 3.38 -1.34 -2.96 115.31 114.67 2yuf h LEU 40 Ca 0.23 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2yuf h LEU 40 Cb 0.84 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2yuf h LEU 40 CO -0.01 0.38 0.09 -0.07 0.09 0.00 0.00 178.44 178.92 2yuf h LEU 41 N -0.60 0.76 -2.00 1.67 3.38 -0.82 0.44 115.31 118.13 2yuf h LEU 41 Ca -0.01 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2yuf h LEU 41 Cb 0.50 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2yuf h LEU 41 CO 0.02 0.77 0.06 0.11 0.09 0.00 0.00 178.44 179.49 2yuf h LYS 42 N 0.77 0.00 0.01 1.13 1.57 -0.89 -2.64 116.57 116.52 2yuf h LYS 42 Ca 0.17 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.59 2yuf h LYS 42 Cb 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 2yuf h LYS 42 CO 0.00 0.00 -2.25 -2.37 -0.57 0.00 0.00 179.45 174.26 2yuf n THR 43 N -4.51 1.48 -3.09 -0.16 5.66 -0.87 -4.95 114.28 107.85 2yuf n THR 43 Ca -0.01 -0.77 -0.33 0.00 -3.05 0.00 0.00 64.05 59.90 2yuf n THR 43 Cb 0.17 -0.88 -0.06 0.00 -1.55 0.00 0.00 70.33 68.00 2yuf n THR 43 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2yuf s ASN 44 N -5.95 6.81 -0.07 1.09 -0.87 0.15 -5.00 114.94 111.10 2yuf s ASN 44 Ca -0.16 1.35 0.02 0.00 -1.57 0.00 0.00 52.86 52.50 2yuf s ASN 44 Cb 0.07 -2.40 -0.05 0.00 -0.02 0.00 0.00 41.25 38.85 2yuf s ASN 44 CO 0.77 -0.22 -0.04 0.29 -2.57 0.00 0.00 177.10 175.33 2yuf n LYS 45 N -0.37 0.92 -0.11 -0.60 4.76 -1.26 -4.12 118.16 117.39 2yuf n LYS 45 Ca 0.04 0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.39 2yuf n LYS 45 Cb 0.53 -1.14 -0.03 0.00 -1.84 0.00 0.00 35.03 32.55 2yuf n LYS 45 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2yuf h LYS 46 N 0.00 0.62 0.00 1.97 1.57 -1.95 -2.06 116.57 116.72 2yuf h LYS 46 Ca -0.16 -0.23 -0.26 0.00 -1.87 0.00 0.00 60.65 58.12 2yuf h LYS 46 Cb 1.27 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.57 2yuf h LYS 46 CO -0.02 0.79 -1.04 -0.07 -0.57 0.00 0.00 179.45 178.55 2yuf h LEU 47 N 0.40 0.88 -1.74 2.94 3.38 -1.95 -2.64 115.31 116.57 2yuf h LEU 47 Ca 0.08 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 2yuf h LEU 47 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2yuf h LEU 47 CO 0.03 1.51 0.02 0.00 0.09 0.00 0.00 178.44 180.09 2yuf h ALA 48 N 0.43 1.80 0.00 1.53 0.00 -1.71 0.18 119.26 121.50 2yuf h ALA 48 Ca -0.13 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2yuf h ALA 48 Cb 1.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2yuf h ALA 48 CO 0.20 0.16 -0.94 -0.22 0.00 0.00 0.00 179.25 178.45 2yuf h LYS 49 N 0.18 0.00 0.00 0.00 1.63 -1.37 -2.09 116.57 114.91 2yuf h LYS 49 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2yuf h LYS 49 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2yuf h LYS 49 CO -0.00 0.62 -0.06 1.98 -3.45 0.00 0.00 179.45 178.54 2yuf h MET 50 N 0.00 0.00 -1.03 1.90 4.05 -0.95 -3.43 114.93 115.48 2yuf h MET 50 Ca -0.06 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.86 2yuf h MET 50 Cb 1.60 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 31.98 2yuf h MET 50 CO 0.08 0.00 -0.88 0.44 0.23 0.00 0.00 176.91 176.78 2yuf n ILE 51 N -3.18 2.09 -0.06 1.77 -5.35 0.56 -4.75 119.36 110.44 2yuf n ILE 51 Ca -0.01 -4.15 -0.02 0.00 -0.27 0.00 0.00 62.75 58.30 2yuf n ILE 51 Cb 0.03 -0.60 -0.13 0.00 -1.74 0.00 0.00 39.64 37.19 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 -0.52 -0.81 0.21 3.28 0.00 -0.79 -4.41 105.19 102.15 2yuf n GLY 52 Ca 0.32 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.04 1.61 2.07 -1.85 -2.65 115.15 114.37 2yuf h HIS 53 Ca -0.30 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.22 2yuf h HIS 53 Cb 1.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.59 2yuf h HIS 53 CO 0.00 0.27 -0.02 0.82 -3.07 0.00 0.00 177.93 175.93 2yuf h ILE 54 N 0.00 1.17 -0.73 6.12 2.04 -1.93 -0.36 117.51 123.82 2yuf h ILE 54 Ca -0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2yuf h ILE 54 Cb 0.49 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 2yuf h ILE 54 CO 0.04 0.17 0.47 -0.26 0.00 0.00 0.00 178.15 178.57 2yuf h PHE 55 N -0.36 0.93 -0.03 1.37 -1.00 -1.75 -1.84 116.94 114.27 2yuf h PHE 55 Ca -0.01 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.65 2yuf h PHE 55 Cb 0.33 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2yuf h PHE 55 CO 0.03 0.60 -0.60 0.93 -1.61 0.00 0.00 178.31 177.66 2yuf h GLU 56 N 1.00 0.12 -7.29 1.51 4.39 -1.38 -3.45 114.58 109.49 2yuf h GLU 56 Ca 0.27 -0.08 -0.45 0.00 0.34 0.00 0.00 59.36 59.44 2yuf h GLU 56 Cb -0.09 0.01 0.18 0.00 -0.10 0.00 0.00 28.75 28.75 2yuf h GLU 56 CO -0.05 0.68 0.13 1.41 -1.16 0.00 0.00 179.01 180.02 2yuf s MET 57 N -3.71 -0.10 1.32 2.33 1.75 -0.15 -5.01 119.30 115.72 2yuf s MET 57 Ca -0.03 0.61 -0.20 0.00 -1.25 0.00 0.00 55.69 54.82 2yuf s MET 57 Cb 0.12 -1.67 0.33 0.00 2.84 0.00 0.00 34.83 36.46 2yuf s MET 57 CO 0.78 -3.11 0.99 -0.80 -0.65 0.00 0.00 175.02 172.23 2yuf s ASN 58 N -3.14 -0.20 -0.11 1.11 0.01 -1.26 -4.98 114.94 106.37 2yuf s ASN 58 Ca 0.66 0.93 0.08 0.00 -0.71 0.00 0.00 52.86 53.82 2yuf s ASN 58 Cb -0.21 -1.35 -0.12 0.00 0.41 0.00 0.00 41.25 39.98 2yuf s ASN 58 CO 0.60 -4.84 0.01 0.47 -1.51 0.00 0.00 177.10 171.83 2yuf n ASP 59 N -5.29 2.54 -2.22 -1.22 9.92 -1.26 -4.55 116.55 114.46 2yuf n ASP 59 Ca 0.11 -0.01 -0.25 0.00 -0.53 0.00 0.00 54.79 54.10 2yuf n ASP 59 Cb 0.59 0.60 0.16 0.00 -0.64 0.00 0.00 41.12 41.83 2yuf n ASP 59 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2yuf n ASP 60 N -2.46 4.35 -4.76 -2.24 5.68 -1.26 -4.95 116.55 110.91 2yuf n ASP 60 Ca -0.18 -3.61 -0.34 0.00 -0.50 0.00 0.00 54.79 50.16 2yuf n ASP 60 Cb 0.82 -0.86 -0.08 0.00 -1.14 0.00 0.00 41.12 39.87 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2yuf s ASP 61 N -1.33 5.61 0.40 -1.12 2.15 -1.26 -5.01 116.67 116.11 2yuf s ASP 61 Ca 0.57 0.18 0.19 0.00 0.43 0.00 0.00 52.55 53.92 2yuf s ASP 61 Cb 0.48 -1.63 0.83 0.00 -0.30 0.00 0.00 42.92 42.30 2yuf s ASP 61 CO 0.09 0.32 1.82 1.55 -0.17 0.00 0.00 175.17 178.78 2yuf h PRO 62 N 4.56 0.00 -0.45 4.34 0.13 -1.98 -2.99 132.00 135.62 2yuf h PRO 62 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.59 0.33 0.30 0.45 -0.23 0.00 0.00 178.00 179.43 2yuf h HIS 63 N 0.00 0.55 -0.46 1.56 3.86 -1.99 -2.44 115.15 116.23 2yuf h HIS 63 Ca -0.00 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 2yuf h HIS 63 Cb 0.74 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 2yuf h HIS 63 CO 0.00 0.35 0.18 -0.22 0.86 0.00 0.00 177.93 179.09 2yuf h LYS 64 N 0.59 0.35 -0.05 2.45 3.64 -1.87 0.13 116.57 121.81 2yuf h LYS 64 Ca 0.17 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2yuf h LYS 64 Cb -0.05 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2yuf h LYS 64 CO -0.04 0.23 0.04 1.49 -2.27 0.00 0.00 179.45 178.90 2yuf h GLU 65 N 0.36 0.04 0.19 1.90 4.81 -1.60 0.07 114.58 120.35 2yuf h GLU 65 Ca 0.21 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.14 2yuf h GLU 65 Cb 0.20 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.59 2yuf h GLU 65 CO -0.21 0.03 -1.37 0.93 -0.73 0.00 0.00 179.01 177.67 2yuf h GLU 66 N 0.04 0.41 -0.35 1.92 5.08 -1.09 -2.26 114.58 118.33 2yuf h GLU 66 Ca 0.02 -0.69 -0.10 0.00 -1.00 0.00 0.00 59.36 57.58 2yuf h GLU 66 Cb 0.04 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2yuf h GLU 66 CO -0.00 1.33 -0.18 0.93 -1.00 0.00 0.00 179.01 180.09 2yuf h GLU 67 N 0.11 0.74 -0.25 2.33 5.08 -0.08 -2.63 114.58 119.88 2yuf h GLU 67 Ca -0.20 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 57.67 2yuf h GLU 67 Cb 2.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.31 2yuf h GLU 67 CO 0.24 0.94 -0.47 0.82 -1.00 0.00 0.00 179.01 179.54 2yuf h ILE 68 N 0.52 1.30 0.00 3.13 2.04 -1.12 -2.97 117.51 120.41 2yuf h ILE 68 Ca 0.08 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 2yuf h ILE 68 Cb 0.73 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2yuf h ILE 68 CO 0.05 0.54 -0.03 0.03 0.00 0.00 0.00 178.15 178.74 2yuf h ARG 69 N 0.51 0.00 -0.01 2.37 3.08 -1.40 0.82 114.38 119.75 2yuf h ARG 69 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 2yuf h ARG 69 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.14 2yuf h ARG 69 CO 0.11 0.03 -0.54 -0.22 -1.07 0.00 0.00 179.97 178.27 2yuf h LYS 70 N 0.00 0.38 0.25 0.04 3.64 -1.33 -3.35 116.57 116.20 2yuf h LYS 70 Ca -0.00 -0.40 -0.33 0.00 -1.27 0.00 0.00 60.65 58.65 2yuf h LYS 70 Cb 0.06 0.11 0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2yuf h LYS 70 CO 0.00 1.07 -1.46 1.88 -2.27 0.00 0.00 179.45 178.67 2yuf h TYR 71 N -0.15 0.97 -1.17 1.91 0.05 -1.29 -3.42 116.97 113.87 2yuf h TYR 71 Ca -0.07 -0.71 -0.37 0.00 0.05 0.00 0.00 58.73 57.63 2yuf h TYR 71 Cb 1.26 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.91 2yuf h TYR 71 CO 0.15 1.56 0.96 -1.54 -1.05 0.00 0.00 178.16 178.24 2yuf s SER 72 N -7.57 5.22 0.00 3.88 1.04 0.28 -4.11 113.70 112.44 2yuf s SER 72 Ca -0.09 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2yuf s SER 72 Cb 0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2yuf s SER 72 CO 0.94 -2.59 0.00 0.00 0.98 0.00 0.00 173.24 172.58 2yuf n ALA 73 N 13.42 0.42 0.00 5.32 0.00 -1.26 -4.63 120.51 133.78 2yuf n ALA 73 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2yuf n ALA 73 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2yuf n ALA 73 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yuf n ILE 74 N -2.36 0.00 -3.04 0.00 5.41 -1.26 -3.85 119.36 114.26 2yuf n ILE 74 Ca 0.00 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.35 2yuf n ILE 74 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 2yuf n ILE 74 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2yuf s TYR 75 N 0.00 3.71 0.01 1.39 2.02 -1.26 -4.84 117.35 118.38 2yuf s TYR 75 Ca 0.00 1.40 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 2yuf s TYR 75 Cb 0.00 -2.77 0.00 0.00 -0.40 0.00 0.00 41.96 38.79 2yuf s TYR 75 CO 0.00 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 2yuf n GLY 76 N 2.44 -3.34 3.82 0.71 0.00 -1.26 -4.92 105.19 102.64 2yuf n GLY 76 Ca -0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 2yuf n GLY 76 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yuf s ARG 77 N -4.18 1.28 0.26 1.61 6.06 -1.26 -4.95 118.95 117.76 2yuf s ARG 77 Ca 0.00 0.21 -0.03 0.00 -2.50 0.00 0.00 55.73 53.41 2yuf s ARG 77 Cb 0.00 -1.86 0.38 0.00 0.06 0.00 0.00 34.95 33.53 2yuf s ARG 77 CO 0.00 -2.09 1.87 0.27 -2.50 0.00 0.00 175.30 172.85 2yuf h PHE 78 N -1.42 1.14 -5.69 5.12 -0.00 -1.95 -3.43 116.94 110.71 2yuf h PHE 78 Ca -0.49 0.03 -0.32 0.00 -0.00 0.00 0.00 57.97 57.19 2yuf h PHE 78 Cb 1.33 -0.37 0.02 0.00 -0.00 0.00 0.00 35.95 36.92 2yuf h PHE 78 CO 0.19 0.59 -0.04 -0.40 -0.00 0.00 0.00 178.31 178.65 2yuf n ASP 79 N -4.54 1.38 -3.15 -0.68 5.75 -1.26 -5.13 116.55 108.92 2yuf n ASP 79 Ca 0.14 -2.00 0.04 0.00 -0.01 0.00 0.00 54.79 52.96 2yuf n ASP 79 Cb 0.18 -0.28 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 2yuf n ASP 79 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2yuf s SER 80 N -3.36 -1.23 0.07 -1.12 0.01 -1.26 -5.07 113.70 101.74 2yuf s SER 80 Ca 0.40 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2yuf s SER 80 Cb -0.03 1.97 0.00 0.00 0.21 0.00 0.00 66.02 68.17 2yuf s SER 80 CO 0.25 -0.23 0.00 1.17 0.41 0.00 0.00 173.24 174.84 2yuf n LYS 81 N 5.42 0.00 -1.24 12.44 4.81 -1.26 -5.10 118.16 133.24 2yuf n LYS 81 Ca -0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 2yuf n LYS 81 Cb 0.52 -0.10 0.10 0.00 0.02 0.00 0.00 35.03 35.58 2yuf n LYS 81 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2yuf s ARG 82 N -1.35 1.98 0.08 1.64 1.81 -1.26 -5.01 118.95 116.83 2yuf s ARG 82 Ca 0.00 1.08 0.00 0.00 -1.72 0.00 0.00 55.73 55.09 2yuf s ARG 82 Cb 0.00 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 2yuf s ARG 82 CO 0.00 -1.81 0.00 1.17 -0.68 0.00 0.00 175.30 173.98 2yuf n LYS 83 N -3.63 0.00 0.00 3.54 4.81 -1.26 -5.02 118.16 116.60 2yuf n LYS 83 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2yuf n LYS 83 Cb 0.54 -0.16 0.00 0.00 0.02 0.00 0.00 35.03 35.43 2yuf n LYS 83 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2yuf n ASP 84 N -2.99 0.00 -2.73 3.14 8.00 -1.26 -3.59 116.55 117.13 2yuf n ASP 84 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2yuf n ASP 84 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yuf n GLY 85 N 0.00 -0.19 1.43 0.44 0.00 -1.26 -5.15 105.19 100.46 2yuf n GLY 85 Ca 0.00 0.28 0.19 0.00 0.00 0.00 0.00 46.02 46.49 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 1.33 -2.92 0.13 1.61 4.81 -1.24 -5.01 118.16 116.88 2yuf n LYS 86 Ca 0.07 1.97 0.00 0.00 -0.87 0.00 0.00 58.31 59.48 2yuf n LYS 86 Cb 0.66 -3.55 0.00 0.00 0.02 0.00 0.00 35.03 32.16 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 -4.23 -3.26 -3.60 5.64 8.25 -1.26 -4.99 115.22 111.76 2yuf n HIS 87 Ca 0.00 0.82 -0.39 0.00 -0.26 0.00 0.00 57.72 57.89 2yuf n HIS 87 Cb 0.66 2.13 -0.11 0.00 1.12 0.00 0.00 29.99 33.78 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 -6.21 4.28 0.00 2.41 1.43 -1.26 -4.88 118.68 114.46 2yuf s LEU 88 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 2yuf s LEU 88 Cb 0.00 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.16 2yuf s LEU 88 CO 0.00 -0.21 0.00 0.35 0.23 0.00 0.00 176.35 176.72 2yuf n THR 89 N 5.03 0.00 0.10 5.49 -2.24 -1.26 -4.82 114.28 116.58 2yuf n THR 89 Ca -0.13 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 2yuf n THR 89 Cb 0.49 -1.82 0.02 0.00 -2.10 0.00 0.00 70.33 66.93 2yuf n THR 89 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2yuf h LEU 90 N 0.00 0.04 0.16 3.22 5.85 -1.99 -2.59 115.31 119.99 2yuf h LEU 90 Ca 0.00 -0.03 -0.32 0.00 0.84 0.00 0.00 57.88 58.37 2yuf h LEU 90 Cb 0.00 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.03 2yuf h LEU 90 CO 0.00 0.84 -1.58 -0.74 -0.34 0.00 0.00 178.44 176.62 2yuf h HIS 91 N 0.02 0.62 -0.22 1.25 2.76 -1.94 -3.33 115.15 114.31 2yuf h HIS 91 Ca -0.01 -0.45 -0.05 0.00 -2.20 0.00 0.00 60.37 57.65 2yuf h HIS 91 Cb 1.44 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 2yuf h HIS 91 CO 0.00 1.62 -0.09 0.93 -1.30 0.00 0.00 177.93 179.09 2yuf h GLU 92 N -0.06 0.34 -0.31 5.26 3.07 -1.93 -2.31 114.58 118.63 2yuf h GLU 92 Ca -0.32 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.43 2yuf h GLU 92 Cb 1.96 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.80 2yuf h GLU 92 CO 0.14 0.44 0.04 -0.07 -1.40 0.00 0.00 179.01 178.16 2yuf h LEU 93 N 0.33 0.42 -0.55 1.33 3.38 -1.59 -2.07 115.31 116.56 2yuf h LEU 93 Ca 0.07 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2yuf h LEU 93 Cb 0.36 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2yuf h LEU 93 CO 0.02 0.46 -0.72 0.74 0.09 0.00 0.00 178.44 179.03 2yuf h THR 94 N 0.45 1.51 -0.01 0.22 2.02 -1.53 -3.12 112.91 112.46 2yuf h THR 94 Ca 0.10 -2.48 -0.12 0.00 0.77 0.00 0.00 66.41 64.69 2yuf h THR 94 Cb 0.24 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 2yuf h THR 94 CO 0.00 0.71 -0.55 0.58 0.37 0.00 0.00 175.52 176.62 2yuf h VAL 95 N 0.00 1.40 -0.07 3.16 2.07 -1.17 0.58 116.25 122.21 2yuf h VAL 95 Ca -0.01 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.54 2yuf h VAL 95 Cb 1.28 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 2yuf h VAL 95 CO 0.09 0.54 -0.28 -1.13 0.02 0.00 0.00 177.57 176.81 2yuf h ASN 96 N 0.02 0.13 0.00 0.57 -0.73 -1.38 -2.75 115.58 111.44 2yuf h ASN 96 Ca -0.00 -0.04 -0.37 0.00 1.87 0.00 0.00 56.30 57.76 2yuf h ASN 96 Cb 0.99 -0.04 -0.07 0.00 0.27 0.00 0.00 38.32 39.47 2yuf h ASN 96 CO 0.07 0.42 -2.39 -0.62 -0.37 0.00 0.00 177.43 174.54 2yuf n GLU 97 N -4.16 0.69 -0.32 6.67 1.02 -1.11 -4.11 120.64 119.31 2yuf n GLU 97 Ca -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 2yuf n GLU 97 Cb 0.36 -1.52 0.20 0.00 -0.02 0.00 0.00 31.44 30.46 2yuf n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yuf h ALA 98 N 0.93 1.42 -0.52 0.62 0.00 0.20 -1.05 119.26 120.85 2yuf h ALA 98 Ca -0.55 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2yuf h ALA 98 Cb 2.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 2yuf h ALA 98 CO 0.02 0.48 0.05 0.00 0.00 0.00 0.00 179.25 179.80 2yuf n ALA 99 N -2.39 3.82 -0.12 0.00 0.00 -1.04 -4.11 120.51 116.67 2yuf n ALA 99 Ca 0.12 -1.71 -0.16 0.00 0.00 0.00 0.00 53.44 51.69 2yuf n ALA 99 Cb 0.11 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf n ALA 100 N 0.42 1.46 0.04 0.00 0.00 -0.40 -3.91 120.51 118.11 2yuf n ALA 100 Ca 0.26 -1.17 -0.09 0.00 0.00 0.00 0.00 53.44 52.44 2yuf n ALA 100 Cb 1.10 -0.12 -0.13 0.00 0.00 0.00 0.00 19.45 20.30 2yuf n ALA 100 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2yuf h GLN 101 N 0.00 0.05 -0.30 0.00 4.20 -1.72 -3.29 115.11 114.05 2yuf h GLN 101 Ca -0.57 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 57.93 2yuf h GLN 101 Cb 1.99 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.80 2yuf h GLN 101 CO -0.06 0.90 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.61 2yuf h LEU 102 N 0.01 0.81 -1.84 1.46 3.38 -1.79 -3.00 115.31 114.34 2yuf h LEU 102 Ca -0.12 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2yuf h LEU 102 Cb 1.87 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2yuf h LEU 102 CO 0.13 1.12 0.10 0.00 0.09 0.00 0.00 178.44 179.87 2yuf h VAL 104 N 0.21 1.14 -0.18 0.00 2.07 -1.59 -2.93 116.25 114.97 2yuf h VAL 104 Ca 0.06 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 67.02 2yuf h VAL 104 Cb -0.02 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2yuf h VAL 104 CO -0.01 0.14 -0.65 0.11 0.02 0.00 0.00 177.57 177.19 2yuf h LYS 105 N 0.43 0.66 -4.55 1.57 1.57 -1.43 -3.40 116.57 111.43 2yuf h LYS 105 Ca 0.12 -0.47 -0.69 0.00 -1.87 0.00 0.00 60.65 57.74 2yuf h LYS 105 Cb 0.07 0.08 -0.36 0.00 0.08 0.00 0.00 32.23 32.10 2yuf h LYS 105 CO -0.02 1.09 -0.60 -0.51 -0.57 0.00 0.00 179.45 178.85 2yuf s ASP 106 N -6.99 5.12 0.40 0.86 1.01 -0.44 -4.80 116.67 111.83 2yuf s ASP 106 Ca -0.08 -2.02 0.15 0.00 0.71 0.00 0.00 52.55 51.30 2yuf s ASP 106 Cb 0.10 -1.78 0.83 0.00 1.01 0.00 0.00 42.92 43.08 2yuf s ASP 106 CO 0.87 -0.49 1.87 -1.13 0.21 0.00 0.00 175.17 176.50 2yuf h ASN 107 N 7.94 0.00 0.09 0.27 -0.00 -1.77 -2.55 115.58 119.56 2yuf h ASN 107 Ca -0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.17 2yuf h ASN 107 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.36 2yuf h ASN 107 CO 0.65 0.32 -0.09 0.00 -0.00 0.00 0.00 177.43 178.31 2yuf h ALA 108 N 1.68 1.84 -0.39 1.57 0.00 -1.92 -1.97 119.26 120.07 2yuf h ALA 108 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2yuf h ALA 108 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2yuf h ALA 108 CO 0.04 0.11 0.26 -0.07 0.00 0.00 0.00 179.25 179.59 2yuf h LEU 109 N 0.00 0.41 -2.00 0.00 3.38 -1.74 -1.07 115.31 114.28 2yuf h LEU 109 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2yuf h LEU 109 Cb 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2yuf h LEU 109 CO 0.01 0.29 0.03 -0.07 0.09 0.00 0.00 178.44 178.80 2yuf h LEU 110 N 0.48 0.00 0.02 1.67 3.38 -1.50 -1.71 115.31 117.66 2yuf h LEU 110 Ca 0.15 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.86 2yuf h LEU 110 Cb 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2yuf h LEU 110 CO -0.03 0.00 -1.36 0.71 0.09 0.00 0.00 178.44 177.85 2yuf h THR 111 N 0.00 1.29 -3.65 0.22 1.35 -1.34 -3.44 112.91 107.35 2yuf h THR 111 Ca 0.02 -3.04 -0.68 0.00 -0.55 0.00 0.00 66.41 62.16 2yuf h THR 111 Cb 0.09 2.67 -0.21 0.00 -1.73 0.00 0.00 68.15 68.97 2yuf h THR 111 CO -0.00 0.76 -0.51 -0.13 -0.25 0.00 0.00 175.52 175.40 2yuf s ARG 112 N -2.65 3.29 -0.03 4.72 0.52 -0.64 -4.94 118.95 119.22 2yuf s ARG 112 Ca -0.03 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 54.46 2yuf s ARG 112 Cb 0.09 -3.73 -0.24 0.00 0.52 0.00 0.00 34.95 31.59 2yuf s ARG 112 CO 0.83 -0.50 0.72 -0.09 0.02 0.00 0.00 175.30 176.28 2yuf h ARG 113 N 8.45 0.10 -0.07 3.54 2.43 -1.85 -3.15 114.38 123.82 2yuf h ARG 113 Ca -0.30 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 2yuf h ARG 113 Cb 1.14 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2yuf h ARG 113 CO 0.64 0.81 -0.14 0.22 -1.51 0.00 0.00 179.97 179.99 2yuf h ASP 114 N 0.03 0.11 0.00 -3.80 1.82 -1.93 0.88 116.42 113.52 2yuf h ASP 114 Ca -0.27 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 2yuf h ASP 114 Cb 1.99 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.97 2yuf h ASP 114 CO 0.10 0.26 -0.05 -0.08 -1.61 0.00 0.00 179.24 177.87 2yuf h GLU 115 N 0.11 0.00 -0.48 0.28 4.57 -1.93 -3.14 114.58 114.00 2yuf h GLU 115 Ca 0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2yuf h GLU 115 Cb 0.32 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2yuf h GLU 115 CO 0.02 0.94 0.21 1.25 -1.18 0.00 0.00 179.01 180.25 2yuf h LEU 116 N -1.00 0.61 -1.30 1.64 5.85 -1.49 0.20 115.31 119.81 2yuf h LEU 116 Ca -0.01 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2yuf h LEU 116 Cb 0.95 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2yuf h LEU 116 CO -0.01 0.53 -0.32 0.15 -0.34 0.00 0.00 178.44 178.46 2yuf h PHE 117 N 0.67 0.05 0.01 1.25 3.57 -0.94 -0.94 116.94 120.61 2yuf h PHE 117 Ca 0.17 -0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.37 2yuf h PHE 117 Cb 0.10 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2yuf h PHE 117 CO 0.01 0.36 -1.61 0.00 -2.23 0.00 0.00 178.31 174.84 2yuf h ALA 118 N 1.64 0.67 -0.25 2.41 0.00 -1.28 -3.23 119.26 119.22 2yuf h ALA 118 Ca 0.00 -1.37 -0.18 0.00 0.00 0.00 0.00 54.91 53.37 2yuf h ALA 118 Cb 0.59 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2yuf h ALA 118 CO 0.04 1.51 -0.55 -0.07 0.00 0.00 0.00 179.25 180.18 2yuf h LEU 119 N 0.01 0.92 -0.74 0.00 3.38 -0.45 -3.11 115.31 115.32 2yuf h LEU 119 Ca -0.25 -0.55 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 2yuf h LEU 119 Cb 1.98 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2yuf h LEU 119 CO 0.09 1.30 -0.20 0.00 0.09 0.00 0.00 178.44 179.72 2yuf h ALA 120 N 0.64 0.92 -0.08 1.53 0.00 -1.33 -2.77 119.26 118.17 2yuf h ALA 120 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2yuf h ALA 120 Cb 1.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2yuf h ALA 120 CO 0.12 0.62 0.01 -0.09 0.00 0.00 0.00 179.25 179.91 2yuf h ARG 121 N 0.65 0.11 -0.80 0.00 9.65 -1.57 0.32 114.38 122.74 2yuf h ARG 121 Ca 0.10 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2yuf h ARG 121 Cb 0.70 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.22 2yuf h ARG 121 CO 0.05 0.12 0.49 1.96 2.80 0.00 0.00 179.97 185.39 2yuf h GLN 122 N 0.11 1.08 0.03 0.20 4.20 -1.42 -0.90 115.11 118.42 2yuf h GLN 122 Ca 0.03 -0.09 -0.33 0.00 0.06 0.00 0.00 58.65 58.32 2yuf h GLN 122 Cb 0.07 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.57 2yuf h GLN 122 CO 0.00 0.75 -1.94 -0.89 -0.67 0.00 0.00 178.83 176.08 2yuf n ILE 123 N -4.38 1.62 0.19 2.54 5.41 -0.77 -3.03 119.36 120.93 2yuf n ILE 123 Ca 0.09 -0.75 0.05 0.00 1.00 0.00 0.00 62.75 63.13 2yuf n ILE 123 Cb 0.06 -1.17 0.48 0.00 -0.71 0.00 0.00 39.64 38.29 2yuf n ILE 123 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2yuf h SER 124 N 0.02 0.08 0.48 4.38 0.87 -0.27 -2.27 113.55 116.84 2yuf h SER 124 Ca -0.38 -0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 59.87 2yuf h SER 124 Cb 2.05 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.94 2yuf h SER 124 CO 0.06 0.23 -1.71 0.03 -0.53 0.00 0.00 176.83 174.92 2yuf h ARG 125 N 0.08 0.02 -0.72 2.24 3.08 -1.32 -3.31 114.38 114.46 2yuf h ARG 125 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2yuf h ARG 125 Cb 0.30 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2yuf h ARG 125 CO 0.02 0.56 0.32 1.49 -1.07 0.00 0.00 179.97 181.29 2yuf h GLU 126 N 0.01 1.05 0.47 0.04 4.81 -1.39 0.12 114.58 119.68 2yuf h GLU 126 Ca -0.29 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 2yuf h GLU 126 Cb 2.01 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.21 2yuf h GLU 126 CO 0.08 0.84 -0.22 0.28 -0.73 0.00 0.00 179.01 179.26 2yuf h VAL 127 N 1.01 0.45 -0.18 0.32 2.07 -1.57 -2.78 116.25 115.57 2yuf h VAL 127 Ca 0.24 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2yuf h VAL 127 Cb 0.16 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2yuf h VAL 127 CO -0.03 0.06 0.12 0.71 0.02 0.00 0.00 177.57 178.46 2yuf h THR 128 N -0.90 0.98 0.87 2.57 1.35 -1.63 -2.93 112.91 113.22 2yuf h THR 128 Ca -0.06 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 2yuf h THR 128 Cb 0.58 0.84 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2yuf h THR 128 CO 0.11 0.02 -0.42 0.22 -0.25 0.00 0.00 175.52 175.20 2yuf h TYR 129 N 0.12 -1.09 -3.23 4.73 3.20 -0.84 -3.43 116.97 116.43 2yuf h TYR 129 Ca 0.08 -0.03 -0.43 0.00 3.14 0.00 0.00 58.73 61.49 2yuf h TYR 129 Cb 0.16 0.36 -0.39 0.00 1.54 0.00 0.00 36.73 38.40 2yuf h TYR 129 CO -0.00 -0.68 -0.75 -1.59 -1.64 0.00 0.00 178.16 173.50 2yuf s LYS 130 N -5.56 0.29 0.00 1.82 0.00 -1.06 -5.10 119.74 110.13 2yuf s LYS 130 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 55.97 55.88 2yuf s LYS 130 Cb 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 37.83 36.69 2yuf s LYS 130 CO 0.51 -0.43 0.00 0.66 0.00 0.00 0.00 175.35 176.09 2yuf n TYR 131 N 5.21 -2.04 -2.00 1.78 4.02 -1.23 -4.66 117.16 118.23 2yuf n TYR 131 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.54 2yuf n TYR 131 Cb 0.49 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.99 2yuf n TYR 131 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2yuf s THR 132 N -0.64 2.01 0.73 -0.72 -4.23 -1.26 -5.05 115.64 106.48 2yuf s THR 132 Ca 0.00 -0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 2yuf s THR 132 Cb 0.00 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.91 2yuf s THR 132 CO 0.00 0.00 1.07 -0.31 -0.54 0.00 0.00 174.62 174.84 2yuf s TYR 133 N -3.82 2.88 0.29 3.99 1.51 -1.26 -4.99 117.35 115.95 2yuf s TYR 133 Ca 0.73 1.48 0.00 0.00 -1.01 0.00 0.00 57.07 58.27 2yuf s TYR 133 Cb -0.04 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 38.86 2yuf s TYR 133 CO 0.52 -1.47 0.00 -2.13 -1.11 0.00 0.00 175.55 171.36 2yuf n ARG 134 N -3.27 0.00 0.00 -0.62 0.63 -1.26 -5.07 116.66 107.07 2yuf n ARG 134 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2yuf n ARG 134 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 2yuf n ARG 134 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2yuf n THR 135 N -3.40 0.00 -3.68 5.15 5.66 -1.26 -5.10 114.28 111.65 2yuf n THR 135 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 2yuf n THR 135 Cb 0.00 -0.02 -0.17 0.00 -1.55 0.00 0.00 70.33 68.59 2yuf n THR 135 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2yuf s THR 136 N -1.64 0.19 -0.23 1.09 -4.23 -1.26 -5.00 115.64 104.56 2yuf s THR 136 Ca 0.00 -0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 2yuf s THR 136 Cb 0.00 -0.70 -0.13 0.00 1.34 0.00 0.00 72.50 73.01 2yuf s THR 136 CO 0.00 -0.14 -0.24 -1.54 -0.54 0.00 0.00 174.62 172.16 2yuf n SER 137 N 5.18 2.04 0.00 3.99 3.41 -1.26 -5.05 113.62 121.93 2yuf n SER 137 Ca -0.07 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2yuf n SER 137 Cb 0.49 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2yuf n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuf n GLY 138 N 2.07 -0.21 0.22 5.00 0.00 -1.26 -5.03 105.19 105.98 2yuf n GLY 138 Ca -0.43 0.48 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2yuf n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuf h PRO 139 N 0.00 0.00 -5.88 1.61 0.13 -2.00 -3.41 132.00 122.45 2yuf h PRO 139 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 2yuf h PRO 139 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2yuf h PRO 139 CO 0.00 0.25 1.22 -1.12 -0.23 0.00 0.00 178.00 178.12 2yuf s SER 140 N -6.40 5.14 -0.22 1.44 0.01 -1.26 -4.76 113.70 107.65 2yuf s SER 140 Ca -0.02 0.18 -0.16 0.00 1.31 0.00 0.00 55.95 57.27 2yuf s SER 140 Cb 0.12 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 2yuf s SER 140 CO 0.65 -2.54 -0.22 -1.20 0.41 0.00 0.00 173.24 170.34 2yuf n SER 141 N 13.43 1.91 0.00 2.44 7.64 -1.26 -5.24 113.62 132.55 2yuf n SER 141 Ca 0.26 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2yuf n SER 141 Cb 0.51 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64