#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyg n SER 2 N 0.00 1.09 -4.90 1.61 2.88 -1.26 -4.91 113.62 108.13 1iyg n SER 2 Ca 0.00 1.16 -0.29 0.00 -1.33 0.00 0.00 58.87 58.41 1iyg n SER 2 Cb 0.00 -0.96 0.07 0.00 -0.75 0.00 0.00 64.21 62.57 1iyg n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1iyg s SER 3 N 2.04 4.93 0.00 -3.46 0.01 -1.26 -4.87 113.70 111.09 1iyg s SER 3 Ca 0.98 0.88 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1iyg s SER 3 Cb -1.32 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1iyg s SER 3 CO 0.70 -1.63 0.00 0.61 0.41 0.00 0.00 173.24 173.33 1iyg n GLY 4 N -3.13 0.97 3.09 3.44 0.00 -1.26 -5.10 105.19 103.19 1iyg n GLY 4 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iyg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iyg s SER 5 N 1.00 -1.07 0.00 1.61 0.01 -1.26 -4.98 113.70 109.01 1iyg s SER 5 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1iyg s SER 5 Cb 0.00 1.78 0.00 0.00 0.21 0.00 0.00 66.02 68.01 1iyg s SER 5 CO 0.00 -0.31 0.00 -0.24 0.41 0.00 0.00 173.24 173.10 1iyg n SER 6 N 5.34 0.00 0.00 2.44 2.88 -1.26 -4.81 113.62 118.20 1iyg n SER 6 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1iyg n SER 6 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1iyg n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyg n GLY 7 N 0.00 0.60 0.38 0.46 0.00 -1.26 -4.91 105.19 100.47 1iyg n GLY 7 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1iyg n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1iyg n MET 8 N 0.00 0.30 0.13 1.61 1.56 -1.26 -4.10 117.12 115.36 1iyg n MET 8 Ca 0.00 0.11 0.09 0.00 -0.27 0.00 0.00 57.70 57.63 1iyg n MET 8 Cb 0.00 -1.09 0.48 0.00 2.15 0.00 0.00 33.22 34.76 1iyg n MET 8 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1iyg n GLU 9 N -3.32 0.12 -0.03 2.12 2.13 -1.26 -1.19 120.64 119.20 1iyg n GLU 9 Ca -0.25 0.60 -0.21 0.00 0.66 0.00 0.00 57.16 57.96 1iyg n GLU 9 Cb 0.71 -1.87 -0.13 0.00 0.27 0.00 0.00 31.44 30.41 1iyg n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iyg n ALA 10 N -1.73 0.93 -0.30 4.31 0.00 -1.26 -2.52 120.51 119.94 1iyg n ALA 10 Ca -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 53.44 52.81 1iyg n ALA 10 Cb 0.04 -0.58 0.16 0.00 0.00 0.00 0.00 19.45 19.07 1iyg n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iyg h VAL 11 N -0.15 0.96 -0.08 0.00 2.07 -1.30 0.57 116.25 118.32 1iyg h VAL 11 Ca -0.44 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 66.61 1iyg h VAL 11 Cb 1.88 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1iyg h VAL 11 CO 0.00 0.16 -0.65 0.25 0.02 0.00 0.00 177.57 177.35 1iyg h LEU 12 N 0.86 0.70 0.00 2.57 5.85 -1.54 -3.39 115.31 120.37 1iyg h LEU 12 Ca 0.39 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1iyg h LEU 12 Cb 0.30 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1iyg h LEU 12 CO -0.22 1.28 0.00 0.59 -0.34 0.00 0.00 178.44 179.75 1iyg n ASN 13 N -4.12 0.00 -4.35 1.25 5.03 -0.64 -4.78 115.26 107.65 1iyg n ASN 13 Ca -0.09 0.29 -0.39 0.00 0.87 0.00 0.00 54.58 55.26 1iyg n ASN 13 Cb 0.68 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.47 1iyg n ASN 13 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1iyg n GLU 14 N -0.35 0.24 -4.44 3.52 4.71 0.19 -4.99 120.64 119.52 1iyg n GLU 14 Ca 0.00 0.09 -0.25 0.00 -0.01 0.00 0.00 57.16 56.99 1iyg n GLU 14 Cb 0.00 -1.32 -0.11 0.00 -1.01 0.00 0.00 31.44 29.00 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 1iyg s LEU 15 N 3.03 2.51 0.74 -4.62 0.05 -1.26 -4.76 118.68 114.37 1iyg s LEU 15 Ca 0.62 -0.95 -0.15 0.00 0.05 0.00 0.00 54.13 53.71 1iyg s LEU 15 Cb -0.48 -1.11 0.03 0.00 -2.05 0.00 0.00 46.19 42.59 1iyg s LEU 15 CO 0.61 0.07 1.14 0.55 -0.55 0.00 0.00 176.35 178.16 1iyg n VAL 16 N -0.15 3.03 -3.64 1.48 3.14 -1.07 -4.90 118.33 116.22 1iyg n VAL 16 Ca -0.09 -0.34 -0.36 0.00 -2.96 0.00 0.00 64.34 60.59 1iyg n VAL 16 Cb 0.58 -1.23 -0.07 0.00 -1.06 0.00 0.00 33.84 32.05 1iyg n VAL 16 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1iyg s SER 17 N -1.76 6.36 0.16 6.55 0.01 -1.26 -4.45 113.70 119.31 1iyg s SER 17 Ca 0.76 0.41 -0.21 0.00 1.31 0.00 0.00 55.95 58.22 1iyg s SER 17 Cb -0.33 -2.14 0.07 0.00 0.21 0.00 0.00 66.02 63.83 1iyg s SER 17 CO 0.48 0.16 1.63 0.58 0.41 0.00 0.00 173.24 176.50 1iyg h VAL 18 N 4.59 0.40 -1.02 3.43 2.07 -1.97 0.95 116.25 124.70 1iyg h VAL 18 Ca -0.43 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.41 1iyg h VAL 18 Cb 1.17 0.40 -0.14 0.00 -1.52 0.00 0.00 31.29 31.19 1iyg h VAL 18 CO 0.74 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.84 1iyg h GLU 19 N -0.18 0.33 0.01 1.57 4.22 -2.00 0.27 114.58 118.80 1iyg h GLU 19 Ca 0.17 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.59 1iyg h GLU 19 Cb 0.44 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iyg h GLU 19 CO -0.45 0.22 -0.00 -0.44 -2.18 0.00 0.00 179.01 176.16 1iyg h ASP 20 N 0.34 -0.01 -1.00 1.04 5.19 -1.03 -2.97 116.42 117.98 1iyg h ASP 20 Ca 0.73 -0.63 0.32 0.00 -0.62 0.00 0.00 57.03 56.82 1iyg h ASP 20 Cb 1.67 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 41.00 1iyg h ASP 20 CO -0.58 0.80 0.18 -0.11 -3.12 0.00 0.00 179.24 176.42 1iyg n LEU 21 N -4.68 0.03 0.22 1.55 -0.00 0.30 0.87 117.00 115.29 1iyg n LEU 21 Ca -0.06 1.69 -0.15 0.00 -0.00 0.00 0.00 56.01 57.48 1iyg n LEU 21 Cb 0.31 -0.68 -0.08 0.00 -0.00 0.00 0.00 43.42 42.97 1iyg n LEU 21 CO 0.22 -1.76 0.61 0.11 -0.00 0.00 0.00 177.39 176.57 1iyg h LYS 22 N 0.00 -0.53 -1.56 1.96 1.79 -0.65 0.80 116.57 118.38 1iyg h LYS 22 Ca 0.68 0.04 0.50 0.00 -2.18 0.00 0.00 60.65 59.69 1iyg h LYS 22 Cb 1.56 0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 32.22 1iyg h LYS 22 CO -0.89 -0.26 1.06 -1.71 -1.08 0.00 0.00 179.45 176.57 1iyg n ASN 23 N -5.25 0.13 -0.02 0.86 2.85 0.25 0.16 115.26 114.23 1iyg n ASN 23 Ca -0.11 1.21 -0.20 0.00 -0.11 0.00 0.00 54.58 55.37 1iyg n ASN 23 Cb 0.27 -0.60 -0.14 0.00 1.24 0.00 0.00 39.78 40.56 1iyg n ASN 23 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1iyg n PHE 24 N -4.36 1.01 0.10 1.20 3.72 -0.59 -3.49 117.46 115.04 1iyg n PHE 24 Ca 0.41 0.22 0.18 0.00 -0.05 0.00 0.00 57.45 58.21 1iyg n PHE 24 Cb 1.69 -1.14 0.74 0.00 -0.94 0.00 0.00 39.48 39.84 1iyg n PHE 24 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1iyg h GLU 25 N 0.05 0.00 0.00 -1.08 4.81 0.84 -1.05 114.58 118.15 1iyg h GLU 25 Ca -0.44 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1iyg h GLU 25 Cb 2.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.39 1iyg h GLU 25 CO 0.06 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.34 1iyg h ARG 26 N 0.00 -0.00 -0.99 1.92 2.47 -0.57 -3.02 114.38 114.19 1iyg h ARG 26 Ca 0.17 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 59.09 1iyg h ARG 26 Cb 0.78 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.92 1iyg h ARG 26 CO -0.00 -0.00 -0.26 1.17 0.56 0.00 0.00 179.97 181.43 1iyg n LYS 27 N -4.11 -0.10 0.24 0.04 4.81 -1.03 -0.23 118.16 117.78 1iyg n LYS 27 Ca -0.00 1.55 -0.18 0.00 -0.87 0.00 0.00 58.31 58.81 1iyg n LYS 27 Cb 0.00 -2.31 -0.10 0.00 0.02 0.00 0.00 35.03 32.64 1iyg n LYS 27 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1iyg h PHE 28 N 0.00 -1.44 0.00 5.64 3.57 -1.34 0.44 116.94 123.82 1iyg h PHE 28 Ca 0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1iyg h PHE 28 Cb 0.71 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 1iyg h PHE 28 CO -0.78 -0.65 -0.01 1.96 -2.23 0.00 0.00 178.31 176.60 1iyg h GLN 29 N -0.93 -0.02 -0.79 1.11 4.20 -0.46 0.46 115.11 118.68 1iyg h GLN 29 Ca -0.04 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.77 1iyg h GLN 29 Cb 0.84 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.50 1iyg h GLN 29 CO -0.13 -0.01 -0.47 1.03 -0.67 0.00 0.00 178.83 178.58 1iyg h SER 30 N -0.02 -1.68 -0.85 1.46 0.87 -0.82 1.52 113.55 114.03 1iyg h SER 30 Ca -0.00 0.29 0.21 0.00 -1.23 0.00 0.00 61.79 61.06 1iyg h SER 30 Cb 0.02 0.78 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 1iyg h SER 30 CO -0.01 -0.30 0.58 -0.33 -0.53 0.00 0.00 176.83 176.25 1iyg h GLU 31 N -0.12 0.22 0.80 2.24 4.39 0.19 0.38 114.58 122.69 1iyg h GLU 31 Ca 0.21 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 1iyg h GLU 31 Cb 0.53 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1iyg h GLU 31 CO -0.83 0.15 -0.39 0.37 -1.16 0.00 0.00 179.01 177.15 1iyg h GLN 32 N 0.23 -1.04 0.00 2.33 4.15 0.70 -2.38 115.11 119.10 1iyg h GLN 32 Ca 0.43 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.92 1iyg h GLN 32 Cb 1.32 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.24 1iyg h GLN 32 CO -0.10 -0.69 0.00 0.00 -1.93 0.00 0.00 178.83 176.11 1iyg n ALA 33 N -2.69 1.41 0.20 3.38 0.00 -0.44 -1.08 120.51 121.30 1iyg n ALA 33 Ca -0.14 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1iyg n ALA 33 Cb 0.43 -1.20 0.39 0.00 0.00 0.00 0.00 19.45 19.06 1iyg n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyg h ALA 34 N 2.26 1.00 0.00 0.00 0.00 0.22 -3.46 119.26 119.29 1iyg h ALA 34 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1iyg h ALA 34 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iyg h ALA 34 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1iyg n GLY 35 N 0.21 2.70 0.00 0.00 0.00 -0.24 -5.06 105.19 102.80 1iyg n GLY 35 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1iyg n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iyg n SER 36 N 0.00 0.00 -4.72 1.61 3.41 -1.03 -5.00 113.62 107.89 1iyg n SER 36 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1iyg n SER 36 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1iyg n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iyg s VAL 37 N 0.00 2.92 0.46 -3.33 1.01 -1.22 -4.68 120.40 115.56 1iyg s VAL 37 Ca 0.00 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 62.45 1iyg s VAL 37 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 1iyg s VAL 37 CO 0.00 0.06 0.99 -0.44 0.00 0.00 0.00 175.10 175.71 1iyg s SER 38 N 1.01 6.67 0.22 3.32 0.01 -1.26 -4.80 113.70 118.87 1iyg s SER 38 Ca 0.66 1.79 -0.14 0.00 1.31 0.00 0.00 55.95 59.58 1iyg s SER 38 Cb -0.41 -2.55 0.27 0.00 0.21 0.00 0.00 66.02 63.55 1iyg s SER 38 CO 0.32 -0.55 1.60 0.07 0.41 0.00 0.00 173.24 175.10 1iyg h LYS 39 N 1.73 -0.03 -0.14 12.44 2.10 -1.93 0.39 116.57 131.14 1iyg h LYS 39 Ca -0.49 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1iyg h LYS 39 Cb 1.20 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 1iyg h LYS 39 CO 0.60 -0.02 -0.08 -1.13 -2.00 0.00 0.00 179.45 176.82 1iyg n SER 40 N -5.48 -0.14 -0.28 7.07 3.41 -1.26 0.15 113.62 117.08 1iyg n SER 40 Ca 0.09 1.09 -0.01 0.00 -0.26 0.00 0.00 58.87 59.77 1iyg n SER 40 Cb 0.37 -0.45 0.11 0.00 -0.26 0.00 0.00 64.21 63.98 1iyg n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1iyg h THR 41 N 0.00 1.07 0.07 6.66 2.02 -1.67 0.40 112.91 121.45 1iyg h THR 41 Ca 0.02 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1iyg h THR 41 Cb 0.06 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1iyg h THR 41 CO -0.13 0.17 -0.16 -0.61 0.37 0.00 0.00 175.52 175.16 1iyg h GLN 42 N 0.91 -0.24 -0.83 6.66 4.15 0.27 0.15 115.11 126.18 1iyg h GLN 42 Ca 0.33 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.81 1iyg h GLN 42 Cb 0.09 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 1iyg h GLN 42 CO -0.14 -0.16 0.53 0.35 -1.93 0.00 0.00 178.83 177.47 1iyg h PHE 43 N -0.25 0.98 0.00 3.99 3.57 0.15 -0.14 116.94 125.23 1iyg h PHE 43 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1iyg h PHE 43 Cb 0.24 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1iyg h PHE 43 CO -0.28 0.53 0.00 0.39 -2.23 0.00 0.00 178.31 176.72 1iyg n GLU 44 N -4.60 0.00 0.26 1.11 1.02 0.14 0.11 120.64 118.67 1iyg n GLU 44 Ca 0.11 0.70 0.16 0.00 -0.02 0.00 0.00 57.16 58.11 1iyg n GLU 44 Cb 0.13 -1.47 0.85 0.00 -0.02 0.00 0.00 31.44 30.92 1iyg n GLU 44 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1iyg h TYR 45 N 0.00 0.00 0.00 -0.32 3.20 -0.65 0.61 116.97 119.81 1iyg h TYR 45 Ca 0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1iyg h TYR 45 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1iyg h TYR 45 CO -0.29 0.00 -0.60 0.00 -1.64 0.00 0.00 178.16 175.63 1iyg h ALA 46 N 1.82 0.73 0.00 1.82 0.00 0.80 -2.66 119.26 121.77 1iyg h ALA 46 Ca 0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 1iyg h ALA 46 Cb 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1iyg h ALA 46 CO 0.00 0.39 -1.45 2.35 0.00 0.00 0.00 179.25 180.54 1iyg h TRP 47 N 0.00 0.00 -0.28 0.00 -0.00 0.63 -3.15 115.95 113.15 1iyg h TRP 47 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.75 1iyg h TRP 47 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.40 1iyg h TRP 47 CO 0.00 0.88 -0.25 0.00 -0.00 0.00 0.00 178.44 179.06 1iyg h LEU 49 N 0.41 -0.23 -5.54 0.00 3.38 -1.58 -2.55 115.31 109.20 1iyg h LEU 49 Ca 0.05 0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 1iyg h LEU 49 Cb 0.82 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1iyg h LEU 49 CO 0.06 -0.13 2.01 1.33 0.09 0.00 0.00 178.44 181.81 1iyg n VAL 50 N -5.20 1.68 0.00 1.22 0.24 -1.19 -1.41 118.33 113.67 1iyg n VAL 50 Ca -0.06 -1.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 1iyg n VAL 50 Cb 0.13 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.57 1iyg n VAL 50 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1iyg n ARG 51 N 4.33 0.00 -1.17 7.34 1.74 -1.15 -4.75 116.66 123.00 1iyg n ARG 51 Ca 0.30 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.01 1iyg n ARG 51 Cb 0.11 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.57 1iyg n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1iyg n SER 52 N 0.00 -4.19 0.22 0.55 7.64 -0.50 -2.60 113.62 114.73 1iyg n SER 52 Ca 0.00 0.53 0.14 0.00 1.01 0.00 0.00 58.87 60.56 1iyg n SER 52 Cb 0.00 -0.82 0.76 0.00 -1.01 0.00 0.00 64.21 63.15 1iyg n SER 52 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1iyg h LYS 53 N -0.25 0.00 -5.08 1.43 2.10 -1.90 -3.39 116.57 109.48 1iyg h LYS 53 Ca -0.41 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.61 1iyg h LYS 53 Cb 1.39 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.57 1iyg h LYS 53 CO 0.37 0.00 -0.53 0.71 -2.00 0.00 0.00 179.45 178.00 1iyg s TYR 54 N -3.73 3.27 0.16 0.07 1.51 -1.26 -4.97 117.35 112.40 1iyg s TYR 54 Ca -0.03 0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 56.07 1iyg s TYR 54 Cb 0.08 -2.25 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1iyg s TYR 54 CO 0.25 0.01 1.47 -0.91 -1.11 0.00 0.00 175.55 175.27 1iyg h ASN 55 N 7.57 0.89 -0.38 2.29 2.35 -1.93 -2.70 115.58 123.65 1iyg h ASN 55 Ca -0.38 -0.44 0.11 0.00 -0.55 0.00 0.00 56.30 55.05 1iyg h ASN 55 Cb 1.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 1iyg h ASN 55 CO 0.64 1.21 0.62 -0.33 -1.65 0.00 0.00 177.43 177.92 1iyg h GLU 56 N 0.65 0.00 0.18 0.81 4.39 -1.94 1.03 114.58 119.69 1iyg h GLU 56 Ca 0.03 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.40 1iyg h GLU 56 Cb 1.05 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1iyg h GLU 56 CO 0.10 0.00 -1.62 -0.44 -1.16 0.00 0.00 179.01 175.89 1iyg h ASP 57 N 0.00 0.60 -0.93 1.42 3.32 -1.78 -3.31 116.42 115.73 1iyg h ASP 57 Ca 0.18 -0.80 0.27 0.00 0.02 0.00 0.00 57.03 56.70 1iyg h ASP 57 Cb 1.42 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 40.62 1iyg h ASP 57 CO -0.00 1.66 0.32 0.40 -1.72 0.00 0.00 179.24 179.90 1iyg h ILE 58 N 0.10 0.26 -0.56 0.35 2.04 0.11 0.95 117.51 120.78 1iyg h ILE 58 Ca -0.29 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1iyg h ILE 58 Cb 2.09 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1iyg h ILE 58 CO 0.20 0.04 0.22 0.03 0.00 0.00 0.00 178.15 178.63 1iyg h ARG 59 N 0.21 0.84 -0.02 2.37 2.47 -1.61 -1.24 114.38 117.39 1iyg h ARG 59 Ca 0.62 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 59.19 1iyg h ARG 59 Cb 1.34 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1iyg h ARG 59 CO -0.68 0.73 0.12 0.00 0.56 0.00 0.00 179.97 180.70 1iyg h ARG 60 N 0.76 0.00 0.12 0.04 3.08 0.82 -1.02 114.38 118.18 1iyg h ARG 60 Ca 0.19 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.96 1iyg h ARG 60 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1iyg h ARG 60 CO -0.01 0.00 -1.38 0.78 -1.07 0.00 0.00 179.97 178.29 1iyg h GLY 61 N 0.00 0.29 0.33 0.04 0.00 -0.26 -3.36 103.07 100.13 1iyg h GLY 61 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1iyg h GLY 61 CO -0.00 0.66 -0.50 -2.22 0.00 0.00 0.00 176.54 174.48 1iyg h ILE 62 N -0.29 0.04 -0.48 2.60 2.04 -0.49 -0.29 117.51 120.64 1iyg h ILE 62 Ca -0.29 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1iyg h ILE 62 Cb 1.77 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1iyg h ILE 62 CO 0.07 0.00 -0.28 0.55 0.00 0.00 0.00 178.15 178.49 1iyg n VAL 63 N -5.52 -0.32 -0.00 1.67 3.14 -0.89 0.26 118.33 116.66 1iyg n VAL 63 Ca -0.10 1.42 -0.10 0.00 -2.96 0.00 0.00 64.34 62.60 1iyg n VAL 63 Cb 0.43 -1.78 -0.03 0.00 -1.06 0.00 0.00 33.84 31.40 1iyg n VAL 63 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1iyg h LEU 64 N 0.00 -0.70 -0.60 6.55 3.38 -1.61 0.16 115.31 122.50 1iyg h LEU 64 Ca 0.08 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1iyg h LEU 64 Cb 0.20 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1iyg h LEU 64 CO -0.45 -0.28 0.15 -0.07 0.09 0.00 0.00 178.44 177.89 1iyg h LEU 65 N -0.29 0.06 0.00 1.67 4.07 0.33 1.30 115.31 122.46 1iyg h LEU 65 Ca 0.10 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1iyg h LEU 65 Cb 0.44 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1iyg h LEU 65 CO -0.30 0.04 0.00 -0.62 -1.08 0.00 0.00 178.44 176.48 1iyg n GLU 66 N -5.09 0.07 -0.06 1.13 1.02 0.73 -0.47 120.64 117.97 1iyg n GLU 66 Ca 0.09 0.24 -0.03 0.00 -0.02 0.00 0.00 57.16 57.44 1iyg n GLU 66 Cb 0.31 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 1iyg n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iyg n GLU 67 N -1.42 1.01 0.08 3.49 1.02 0.37 -4.30 120.64 120.90 1iyg n GLU 67 Ca 0.04 -0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1iyg n GLU 67 Cb 0.13 -1.44 0.13 0.00 -0.02 0.00 0.00 31.44 30.24 1iyg n GLU 67 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1iyg h LEU 68 N 0.00 0.00 -0.25 -4.62 3.38 0.16 -3.27 115.31 110.71 1iyg h LEU 68 Ca -0.32 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1iyg h LEU 68 Cb 1.68 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.38 1iyg h LEU 68 CO 0.02 0.07 -0.35 -0.07 0.09 0.00 0.00 178.44 178.20 1iyg h LEU 69 N 0.00 -1.17 -0.64 1.67 -0.00 -0.96 0.80 115.31 115.02 1iyg h LEU 69 Ca 0.00 0.15 -0.07 0.00 -0.00 0.00 0.00 57.88 57.97 1iyg h LEU 69 Cb 0.83 0.48 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 1iyg h LEU 69 CO 0.00 -0.26 -0.32 1.55 -0.00 0.00 0.00 178.44 179.42 1iyg h PRO 70 N -0.25 0.00 -1.47 1.13 0.13 -1.83 -3.14 132.00 126.56 1iyg h PRO 70 Ca 0.04 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.65 1iyg h PRO 70 Cb 0.38 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.30 1iyg h PRO 70 CO -0.37 0.32 0.64 1.63 -0.23 0.00 0.00 178.00 179.99 1iyg n LYS 71 N -3.33 2.31 -3.72 0.86 5.02 -0.37 -4.88 118.16 114.06 1iyg n LYS 71 Ca 0.01 -2.49 -0.11 0.00 -2.02 0.00 0.00 58.31 53.69 1iyg n LYS 71 Cb 0.55 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 1iyg n LYS 71 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iyg s GLY 72 N -0.62 -0.16 0.00 0.72 0.00 0.13 -4.78 107.32 102.61 1iyg s GLY 72 Ca 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1iyg s GLY 72 CO -0.09 -0.28 0.00 -1.26 0.00 0.00 0.00 173.10 171.47 1iyg n SER 73 N 0.24 0.00 0.00 1.64 2.88 -1.26 -4.79 113.62 112.33 1iyg n SER 73 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1iyg n SER 73 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1iyg n SER 73 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iyg n LYS 74 N 0.00 0.00 0.06 -1.46 5.02 -1.26 -2.98 118.16 117.54 1iyg n LYS 74 Ca 0.00 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.49 1iyg n LYS 74 Cb 0.00 -0.53 0.58 0.00 -0.02 0.00 0.00 35.03 35.05 1iyg n LYS 74 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1iyg h GLU 75 N 0.00 0.00 -0.23 1.97 5.08 -2.00 1.47 114.58 120.87 1iyg h GLU 75 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1iyg h GLU 75 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1iyg h GLU 75 CO 0.00 0.00 -0.21 0.93 -1.00 0.00 0.00 179.01 178.73 1iyg h GLU 76 N 0.00 0.41 0.00 2.33 4.39 -1.92 -2.04 114.58 117.75 1iyg h GLU 76 Ca 0.24 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1iyg h GLU 76 Cb 1.71 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1iyg h GLU 76 CO -0.00 0.60 -0.08 1.96 -1.16 0.00 0.00 179.01 180.33 1iyg h GLN 77 N 0.37 0.00 -0.49 2.33 4.20 0.22 -3.12 115.11 118.62 1iyg h GLN 77 Ca 0.06 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 1iyg h GLN 77 Cb 0.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1iyg h GLN 77 CO 0.04 0.08 -0.12 0.00 -0.67 0.00 0.00 178.83 178.16 1iyg h ARG 78 N 0.00 0.92 0.00 1.46 -0.00 -1.06 0.19 114.38 115.89 1iyg h ARG 78 Ca -0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 1iyg h ARG 78 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.95 1iyg h ARG 78 CO 0.01 0.98 -0.06 -0.25 0.00 0.00 0.00 179.97 180.65 1iyg n ASP 79 N -4.14 0.13 0.00 7.04 9.92 -1.12 -3.37 116.55 125.00 1iyg n ASP 79 Ca 0.01 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 1iyg n ASP 79 Cb 0.40 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1iyg n ASP 79 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1iyg n TYR 80 N -1.57 0.00 -0.31 1.24 4.01 -0.74 -3.05 117.16 116.74 1iyg n TYR 80 Ca 0.07 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1iyg n TYR 80 Cb 0.35 -0.20 0.20 0.00 -0.31 0.00 0.00 39.34 39.37 1iyg n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg n VAL 81 N -1.81 -0.37 0.25 -0.72 0.31 -0.02 0.22 118.33 116.20 1iyg n VAL 81 Ca 0.00 1.95 -0.11 0.00 -0.01 0.00 0.00 64.34 66.17 1iyg n VAL 81 Cb 0.00 -2.79 -0.06 0.00 -0.91 0.00 0.00 33.84 30.09 1iyg n VAL 81 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1iyg h PHE 82 N 0.00 -0.76 -0.11 3.52 3.57 -1.55 -0.47 116.94 121.14 1iyg h PHE 82 Ca 0.48 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 62.00 1iyg h PHE 82 Cb 0.88 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1iyg h PHE 82 CO -0.55 -0.43 0.12 1.88 -2.23 0.00 0.00 178.31 177.11 1iyg h TYR 83 N -0.70 0.00 0.00 0.41 0.05 -0.58 0.46 116.97 116.61 1iyg h TYR 83 Ca -0.06 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1iyg h TYR 83 Cb 0.56 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 1iyg h TYR 83 CO -0.00 0.00 -0.30 1.25 -1.05 0.00 0.00 178.16 178.05 1iyg h LEU 84 N 0.00 0.00 0.00 3.88 6.46 0.32 -2.14 115.31 123.84 1iyg h LEU 84 Ca 0.05 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 1iyg h LEU 84 Cb 0.30 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1iyg h LEU 84 CO -0.00 0.30 -0.82 0.00 -0.62 0.00 0.00 178.44 177.30 1iyg h ALA 85 N 1.70 0.11 -0.93 1.25 0.00 0.14 -2.92 119.26 118.60 1iyg h ALA 85 Ca -0.00 -0.80 0.26 0.00 0.00 0.00 0.00 54.91 54.37 1iyg h ALA 85 Cb 0.87 0.60 -0.14 0.00 0.00 0.00 0.00 17.79 19.13 1iyg h ALA 85 CO 0.04 0.59 0.41 -0.24 0.00 0.00 0.00 179.25 180.04 1iyg h VAL 86 N -1.00 0.36 -0.18 0.00 3.04 -0.83 1.56 116.25 119.20 1iyg h VAL 86 Ca -0.15 -0.11 -0.09 0.00 -1.01 0.00 0.00 66.70 65.34 1iyg h VAL 86 Cb 0.84 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1iyg h VAL 86 CO -0.09 0.06 -0.25 1.23 -1.01 0.00 0.00 177.57 177.50 1iyg h GLY 87 N 0.32 0.54 0.91 3.17 0.00 -1.55 -2.85 103.07 103.60 1iyg h GLY 87 Ca 0.62 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1iyg h GLY 87 CO -0.60 0.53 0.09 3.43 0.00 0.00 0.00 176.54 180.00 1iyg h ASN 88 N 0.15 0.28 -0.67 0.19 2.35 -0.15 -2.81 115.58 114.91 1iyg h ASN 88 Ca 0.02 -0.14 0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1iyg h ASN 88 Cb 0.82 -0.07 -0.11 0.00 0.05 0.00 0.00 38.32 39.01 1iyg h ASN 88 CO 0.06 0.34 0.00 0.22 -1.65 0.00 0.00 177.43 176.40 1iyg h TYR 89 N 0.20 -0.04 -0.52 1.19 3.20 0.20 0.82 116.97 122.02 1iyg h TYR 89 Ca 0.07 0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.14 1iyg h TYR 89 Cb 0.14 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1iyg h TYR 89 CO -0.02 -0.19 0.41 -0.09 -1.64 0.00 0.00 178.16 176.63 1iyg h ARG 90 N 0.11 0.00 -0.37 1.82 1.12 -1.25 1.65 114.38 117.46 1iyg h ARG 90 Ca 0.36 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.23 1iyg h ARG 90 Cb 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 1iyg h ARG 90 CO -0.58 0.00 0.00 1.28 -3.11 0.00 0.00 179.97 177.56 1iyg n LEU 91 N -4.20 2.31 -1.16 3.80 4.77 0.26 -4.88 117.00 117.90 1iyg n LEU 91 Ca 0.10 -1.09 -0.10 0.00 -0.03 0.00 0.00 56.01 54.88 1iyg n LEU 91 Cb 0.63 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1iyg n LEU 91 CO 0.35 0.55 -0.12 0.29 -1.33 0.00 0.00 177.39 177.13 1iyg n LYS 92 N 0.75 -0.91 -2.50 3.23 5.02 0.56 -4.93 118.16 119.39 1iyg n LYS 92 Ca 0.16 0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 1iyg n LYS 92 Cb 0.39 -4.51 0.01 0.00 -0.02 0.00 0.00 35.03 30.90 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iyg n GLU 93 N -1.98 5.03 0.45 1.97 -0.58 0.14 -4.77 120.64 120.91 1iyg n GLU 93 Ca -0.11 -4.29 -0.18 0.00 -0.42 0.00 0.00 57.16 52.16 1iyg n GLU 93 Cb 0.59 -2.54 -0.08 0.00 -0.57 0.00 0.00 31.44 28.83 1iyg n GLU 93 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1iyg h TYR 94 N 4.53 -1.07 -1.76 -0.32 0.05 -1.86 1.29 116.97 117.83 1iyg h TYR 94 Ca 0.54 -0.03 0.52 0.00 0.05 0.00 0.00 58.73 59.81 1iyg h TYR 94 Cb 0.37 0.35 -0.08 0.00 1.01 0.00 0.00 36.73 38.38 1iyg h TYR 94 CO 1.37 -0.67 1.26 0.39 -1.05 0.00 0.00 178.16 179.46 1iyg n GLU 95 N -5.32 -0.00 -0.09 4.88 1.02 -1.26 -0.11 120.64 119.76 1iyg n GLU 95 Ca -0.14 1.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.88 1iyg n GLU 95 Cb 0.46 -2.28 -0.05 0.00 -0.02 0.00 0.00 31.44 29.55 1iyg n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1iyg n LYS 96 N -3.82 0.51 -0.24 3.49 5.02 -0.94 -3.90 118.16 118.28 1iyg n LYS 96 Ca 0.40 0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 57.06 1iyg n LYS 96 Cb 1.81 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 35.14 1iyg n LYS 96 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iyg h ALA 97 N -0.90 -0.34 -0.53 7.82 0.00 0.52 1.49 119.26 127.32 1iyg h ALA 97 Ca -0.15 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1iyg h ALA 97 Cb 0.91 1.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.85 1iyg h ALA 97 CO -0.09 -0.59 -0.37 -0.07 0.00 0.00 0.00 179.25 178.13 1iyg h LEU 98 N -0.01 -1.32 -2.00 0.00 3.38 -0.80 2.17 115.31 116.72 1iyg h LEU 98 Ca 0.09 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.43 1iyg h LEU 98 Cb 0.25 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1iyg h LEU 98 CO -0.55 -0.18 0.46 0.11 0.09 0.00 0.00 178.44 178.38 1iyg h LYS 99 N -0.07 0.00 -0.25 1.13 1.57 -1.14 1.96 116.57 119.77 1iyg h LYS 99 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1iyg h LYS 99 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1iyg h LYS 99 CO -0.53 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.01 1iyg n TYR 100 N -4.26 0.32 0.00 -1.35 4.01 0.62 -3.44 117.16 113.07 1iyg n TYR 100 Ca 0.12 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1iyg n TYR 100 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 1iyg n TYR 100 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg n VAL 101 N 0.54 0.00 0.17 -0.72 0.31 0.52 -3.12 118.33 116.03 1iyg n VAL 101 Ca 0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.34 1iyg n VAL 101 Cb 0.36 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.73 1iyg n VAL 101 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1iyg h ARG 102 N 0.00 -0.38 0.00 5.55 -0.00 0.22 -0.57 114.38 119.20 1iyg h ARG 102 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1iyg h ARG 102 Cb 0.95 0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.01 1iyg h ARG 102 CO 0.00 -0.19 0.07 0.41 0.00 0.00 0.00 179.97 180.26 1iyg n GLY 103 N -1.00 -0.82 0.04 0.04 0.00 -1.22 0.92 105.19 103.15 1iyg n GLY 103 Ca -0.10 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1iyg n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iyg n LEU 104 N -2.23 0.48 0.02 0.99 -0.00 -0.63 -4.05 117.00 111.58 1iyg n LEU 104 Ca -0.01 0.04 -0.11 0.00 -0.00 0.00 0.00 56.01 55.93 1iyg n LEU 104 Cb 0.10 -0.05 -0.13 0.00 -0.00 0.00 0.00 43.42 43.34 1iyg n LEU 104 CO 0.09 -0.02 -0.30 -0.07 -0.00 0.00 0.00 177.39 177.09 1iyg h LEU 105 N 0.00 0.12 -1.06 -1.96 3.38 0.21 -0.64 115.31 115.36 1iyg h LEU 105 Ca 0.00 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 57.92 1iyg h LEU 105 Cb 0.87 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1iyg h LEU 105 CO 0.00 1.16 0.62 1.56 0.09 0.00 0.00 178.44 181.87 1iyg h GLN 106 N 0.02 0.88 0.00 1.13 1.08 -1.28 1.23 115.11 118.17 1iyg h GLN 106 Ca -0.20 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1iyg h GLN 106 Cb 1.95 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 1iyg h GLN 106 CO 0.12 0.58 -1.75 -2.37 -0.95 0.00 0.00 178.83 174.46 1iyg n THR 107 N -4.63 0.00 -3.19 -0.54 5.66 -1.25 -4.60 114.28 105.73 1iyg n THR 107 Ca 0.19 -0.38 -0.22 0.00 -3.05 0.00 0.00 64.05 60.59 1iyg n THR 107 Cb 0.41 0.23 -0.05 0.00 -1.55 0.00 0.00 70.33 69.37 1iyg n THR 107 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iyg n GLU 108 N -2.07 1.09 0.07 1.09 -0.58 -0.25 -4.91 120.64 115.08 1iyg n GLU 108 Ca -0.02 -3.48 -0.10 0.00 -0.42 0.00 0.00 57.16 53.14 1iyg n GLU 108 Cb 0.50 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1iyg n GLU 108 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1iyg h PRO 109 N 3.50 0.31 0.00 3.49 0.13 0.13 -2.90 132.00 136.66 1iyg h PRO 109 Ca 0.09 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1iyg h PRO 109 Cb 0.88 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1iyg h PRO 109 CO 0.52 0.99 0.00 0.00 -0.23 0.00 0.00 178.00 179.28 1iyg n GLN 110 N -3.75 0.03 -2.23 0.86 10.64 -1.26 -4.68 117.38 117.00 1iyg n GLN 110 Ca -0.05 0.16 -0.43 0.00 -1.83 0.00 0.00 57.00 54.85 1iyg n GLN 110 Cb 0.77 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.63 1iyg n GLN 110 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1iyg s ASN 111 N -2.95 6.41 0.16 2.61 2.47 -1.09 -4.86 114.94 117.67 1iyg s ASN 111 Ca 0.10 1.34 -0.06 0.00 0.42 0.00 0.00 52.86 54.67 1iyg s ASN 111 Cb 0.13 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 1iyg s ASN 111 CO 0.35 -1.28 1.42 0.78 -3.72 0.00 0.00 177.10 174.65 1iyg h ASN 112 N 10.52 0.71 -0.65 -4.21 4.21 -1.88 0.32 115.58 124.60 1iyg h ASN 112 Ca -0.30 -0.42 0.19 0.00 1.21 0.00 0.00 56.30 56.97 1iyg h ASN 112 Cb 1.13 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 38.10 1iyg h ASN 112 CO 1.03 1.18 0.53 1.56 -1.29 0.00 0.00 177.43 180.43 1iyg h GLN 113 N 0.45 0.00 0.00 0.81 4.20 -1.93 0.20 115.11 118.84 1iyg h GLN 113 Ca -0.02 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 1iyg h GLN 113 Cb 1.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1iyg h GLN 113 CO 0.13 0.00 -1.17 0.00 -0.67 0.00 0.00 178.83 177.11 1iyg n ALA 114 N -2.56 0.79 -0.35 3.87 0.00 -1.09 -3.98 120.51 117.19 1iyg n ALA 114 Ca 0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 53.44 52.81 1iyg n ALA 114 Cb 0.78 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 1iyg n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iyg n LYS 115 N -4.47 -0.29 -0.01 0.00 5.02 0.08 -0.45 118.16 118.05 1iyg n LYS 115 Ca -0.22 1.32 -0.08 0.00 -2.02 0.00 0.00 58.31 57.31 1iyg n LYS 115 Cb 0.53 -1.94 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1iyg n LYS 115 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1iyg h GLU 116 N 0.00 -0.29 -0.93 1.97 5.08 -1.19 -1.90 114.58 117.33 1iyg h GLU 116 Ca 0.22 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.68 1iyg h GLU 116 Cb 0.43 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1iyg h GLU 116 CO -0.83 -0.19 -0.55 -0.11 -1.00 0.00 0.00 179.01 176.33 1iyg n LEU 117 N -4.07 -0.99 -0.32 1.33 7.94 0.41 0.16 117.00 121.47 1iyg n LEU 117 Ca -0.03 1.72 0.13 0.00 -1.11 0.00 0.00 56.01 56.72 1iyg n LEU 117 Cb 0.20 -0.25 0.26 0.00 0.53 0.00 0.00 43.42 44.16 1iyg n LEU 117 CO 0.04 -1.38 0.73 1.21 -1.11 0.00 0.00 177.39 176.88 1iyg n GLU 118 N -5.10 -0.08 0.03 1.96 2.13 0.07 0.12 120.64 119.77 1iyg n GLU 118 Ca 0.02 1.41 -0.20 0.00 0.66 0.00 0.00 57.16 59.05 1iyg n GLU 118 Cb 0.24 -2.22 -0.11 0.00 0.27 0.00 0.00 31.44 29.62 1iyg n GLU 118 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1iyg h ARG 119 N 0.00 0.60 -0.43 5.31 9.65 0.15 -3.05 114.38 126.60 1iyg h ARG 119 Ca 0.55 -0.66 0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1iyg h ARG 119 Cb 1.11 0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 29.80 1iyg h ARG 119 CO -0.89 1.26 -0.11 -0.07 2.80 0.00 0.00 179.97 182.96 1iyg h LEU 120 N 0.22 -0.42 -2.44 3.80 3.38 0.93 0.92 115.31 121.71 1iyg h LEU 120 Ca -0.12 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iyg h LEU 120 Cb 1.60 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 1iyg h LEU 120 CO 0.18 -0.15 -0.03 0.40 0.09 0.00 0.00 178.44 178.94 1iyg h ILE 121 N -0.01 0.22 -0.06 1.22 2.04 -0.03 0.16 117.51 121.05 1iyg h ILE 121 Ca 0.21 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1iyg h ILE 121 Cb 0.32 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1iyg h ILE 121 CO -0.45 0.03 -0.03 -0.78 0.00 0.00 0.00 178.15 176.92 1iyg h ASP 122 N 0.00 0.13 0.44 1.72 1.82 0.95 -2.75 116.42 118.73 1iyg h ASP 122 Ca -0.00 -0.41 -0.16 0.00 -0.39 0.00 0.00 57.03 56.08 1iyg h ASP 122 Cb 0.15 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1iyg h ASP 122 CO 0.00 0.51 -0.66 0.11 -1.61 0.00 0.00 179.24 177.59 1iyg h LYS 123 N -0.25 0.21 -0.01 0.28 1.57 -0.40 -3.27 116.57 114.70 1iyg h LYS 123 Ca 0.01 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1iyg h LYS 123 Cb 0.46 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1iyg h LYS 123 CO 0.01 0.79 -0.13 0.00 -0.57 0.00 0.00 179.45 179.55 1iyg h ALA 124 N 1.16 -0.59 -0.98 3.86 0.00 -0.63 0.48 119.26 122.57 1iyg h ALA 124 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1iyg h ALA 124 Cb 1.19 0.63 -0.15 0.00 0.00 0.00 0.00 17.79 19.46 1iyg h ALA 124 CO 0.10 -0.63 -0.44 -1.33 0.00 0.00 0.00 179.25 176.95 1iyg n MET 125 N -3.23 -0.29 -0.24 0.00 2.81 -1.05 0.14 117.12 115.27 1iyg n MET 125 Ca -0.02 1.51 0.02 0.00 -1.81 0.00 0.00 57.70 57.39 1iyg n MET 125 Cb 0.09 -2.23 0.14 0.00 -0.71 0.00 0.00 33.22 30.52 1iyg n MET 125 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1iyg h LYS 126 N 0.00 0.54 0.41 0.03 1.79 -1.47 -2.80 116.57 115.07 1iyg h LYS 126 Ca 0.29 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.71 1iyg h LYS 126 Cb 0.54 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1iyg h LYS 126 CO -0.96 0.36 -0.20 0.87 -1.08 0.00 0.00 179.45 178.44 1iyg h LYS 127 N 0.56 -0.54 -6.25 3.15 1.57 0.61 -3.43 116.57 112.25 1iyg h LYS 127 Ca 0.35 0.04 -0.68 0.00 -1.87 0.00 0.00 60.65 58.49 1iyg h LYS 127 Cb 0.40 0.12 0.07 0.00 0.08 0.00 0.00 32.23 32.90 1iyg h LYS 127 CO -0.29 -0.36 0.21 0.45 -0.57 0.00 0.00 179.45 178.90 1iyg n SER 128 N -3.55 1.01 0.00 0.86 2.88 0.21 -4.65 113.62 110.37 1iyg n SER 128 Ca -0.07 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1iyg n SER 128 Cb 0.22 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1iyg n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyg n GLY 129 N 2.03 0.79 3.58 0.46 0.00 -1.26 -4.86 105.19 105.92 1iyg n GLY 129 Ca 0.17 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 1iyg n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iyg s PRO 130 N -0.93 3.21 0.11 1.61 0.04 -1.26 -4.94 135.00 132.84 1iyg s PRO 130 Ca 0.00 -1.39 -0.31 0.00 0.04 0.00 0.00 61.00 59.34 1iyg s PRO 130 Cb 0.00 -5.35 -0.10 0.00 0.04 0.00 0.00 34.50 29.09 1iyg s PRO 130 CO 0.00 -3.04 1.71 -1.54 0.04 0.00 0.00 177.00 174.17 1iyg s SER 131 N 5.60 6.52 -0.41 6.66 1.04 -1.26 -3.59 113.70 128.25 1iyg s SER 131 Ca 0.60 2.63 -0.28 0.00 0.48 0.00 0.00 55.95 59.39 1iyg s SER 131 Cb 0.01 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.60 1iyg s SER 131 CO 0.07 -0.93 0.58 -0.24 0.98 0.00 0.00 173.24 173.70 1iyg n SER 132 N 5.32 -6.51 0.00 7.02 2.88 -1.26 -5.25 113.62 115.82 1iyg n SER 132 Ca 0.16 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1iyg n SER 132 Cb 0.39 -3.09 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42