#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyg s SER 2 N 0.00 -0.14 -0.24 1.61 0.15 -1.26 -5.10 113.70 108.72 1iyg s SER 2 Ca 0.00 -0.36 -0.36 0.00 0.70 0.00 0.00 55.95 55.93 1iyg s SER 2 Cb 0.00 0.41 0.15 0.00 -1.71 0.00 0.00 66.02 64.87 1iyg s SER 2 CO 0.00 -0.76 1.30 -0.55 1.20 0.00 0.00 173.24 174.43 1iyg s SER 3 N -2.98 -0.07 -0.49 5.45 0.15 -1.26 -5.10 113.70 109.39 1iyg s SER 3 Ca 0.13 0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.86 1iyg s SER 3 Cb 0.00 0.08 0.23 0.00 -1.71 0.00 0.00 66.02 64.61 1iyg s SER 3 CO 0.01 -0.12 0.81 0.61 1.20 0.00 0.00 173.24 175.76 1iyg n GLY 4 N 0.03 0.17 0.00 9.45 0.00 -1.26 -5.08 105.19 108.50 1iyg n GLY 4 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1iyg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyg n SER 5 N 1.94 0.00 -4.41 1.61 7.64 -1.26 -5.10 113.62 114.04 1iyg n SER 5 Ca 0.12 0.00 -0.62 0.00 1.01 0.00 0.00 58.87 59.38 1iyg n SER 5 Cb 0.60 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.69 1iyg n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iyg n SER 6 N 0.00 0.97 0.00 6.43 7.64 -1.26 -4.32 113.62 123.08 1iyg n SER 6 Ca 0.00 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1iyg n SER 6 Cb 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1iyg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyg n GLY 7 N 6.37 -2.28 0.01 0.23 0.00 -1.26 -4.98 105.19 103.29 1iyg n GLY 7 Ca 0.47 0.75 -0.01 0.00 0.00 0.00 0.00 46.02 47.22 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 -0.59 1.43 0.15 1.61 1.56 -1.26 -4.21 117.12 115.81 1iyg n MET 8 Ca 0.00 0.01 0.13 0.00 -0.27 0.00 0.00 57.70 57.57 1iyg n MET 8 Cb 0.00 -1.05 0.49 0.00 2.15 0.00 0.00 33.22 34.81 1iyg n MET 8 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1iyg h GLU 9 N 0.00 0.00 0.00 2.12 4.81 -1.95 -1.26 114.58 118.30 1iyg h GLU 9 Ca -0.05 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.98 1iyg h GLU 9 Cb 1.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1iyg h GLU 9 CO -0.00 0.00 -1.24 0.00 -0.73 0.00 0.00 179.01 177.04 1iyg n ALA 10 N -1.84 0.76 0.10 2.92 0.00 -1.26 -3.30 120.51 117.90 1iyg n ALA 10 Ca 0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.77 1iyg n ALA 10 Cb 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 1iyg n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1iyg h VAL 11 N -1.00 0.44 0.00 0.00 3.04 -1.72 1.01 116.25 118.02 1iyg h VAL 11 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1iyg h VAL 11 Cb 1.13 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1iyg h VAL 11 CO -0.18 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.56 1iyg n LEU 12 N -5.37 0.33 0.00 3.16 4.77 -0.48 -3.38 117.00 116.03 1iyg n LEU 12 Ca -0.06 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1iyg n LEU 12 Cb 0.28 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1iyg n LEU 12 CO 0.25 -0.64 0.00 0.59 -1.33 0.00 0.00 177.39 176.26 1iyg n ASN 13 N -1.92 0.00 -4.57 -1.43 5.03 0.12 -4.92 115.26 107.56 1iyg n ASN 13 Ca 0.00 0.09 -0.47 0.00 0.87 0.00 0.00 54.58 55.08 1iyg n ASN 13 Cb 0.08 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 1iyg n ASN 13 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1iyg n GLU 14 N -1.48 1.16 -4.37 3.52 2.13 0.31 -4.98 120.64 116.94 1iyg n GLU 14 Ca 0.00 0.41 -0.24 0.00 0.66 0.00 0.00 57.16 57.99 1iyg n GLU 14 Cb 0.00 -1.83 -0.09 0.00 0.27 0.00 0.00 31.44 29.80 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1iyg s LEU 15 N 0.73 2.92 0.43 4.31 0.05 -1.26 -4.82 118.68 121.05 1iyg s LEU 15 Ca 0.67 -0.80 -0.22 0.00 0.05 0.00 0.00 54.13 53.83 1iyg s LEU 15 Cb -0.80 -1.45 -0.09 0.00 -2.05 0.00 0.00 46.19 41.79 1iyg s LEU 15 CO 0.55 0.03 1.01 0.54 -0.55 0.00 0.00 176.35 177.93 1iyg s VAL 16 N -2.32 3.97 0.19 1.48 0.11 -0.93 -4.83 120.40 118.06 1iyg s VAL 16 Ca 0.30 1.33 0.08 0.00 -2.93 0.00 0.00 61.98 60.76 1iyg s VAL 16 Cb -0.06 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1iyg s VAL 16 CO 0.17 -0.17 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.31 1iyg s SER 17 N -1.90 4.61 0.29 3.54 0.01 -1.26 -3.80 113.70 115.19 1iyg s SER 17 Ca 0.62 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 57.44 1iyg s SER 17 Cb -0.16 -0.92 0.70 0.00 0.21 0.00 0.00 66.02 65.85 1iyg s SER 17 CO 0.20 0.08 1.75 0.58 0.41 0.00 0.00 173.24 176.26 1iyg h VAL 18 N 2.46 0.63 -0.26 3.43 2.07 -1.97 0.46 116.25 123.08 1iyg h VAL 18 Ca -0.47 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 66.88 1iyg h VAL 18 Cb 1.21 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1iyg h VAL 18 CO 0.57 0.11 -0.34 -0.08 0.02 0.00 0.00 177.57 177.85 1iyg h GLU 19 N 0.61 -0.23 0.16 1.57 4.22 -1.99 0.94 114.58 119.87 1iyg h GLU 19 Ca 0.55 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 60.00 1iyg h GLU 19 Cb 0.91 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1iyg h GLU 19 CO -0.42 -0.15 -0.08 -0.44 -2.18 0.00 0.00 179.01 175.73 1iyg h ASP 20 N -0.24 -0.19 -0.98 1.04 5.19 -1.74 -0.89 116.42 118.62 1iyg h ASP 20 Ca 0.05 -0.22 0.24 0.00 -0.62 0.00 0.00 57.03 56.48 1iyg h ASP 20 Cb 0.36 0.05 -0.18 0.00 0.18 0.00 0.00 39.33 39.74 1iyg h ASP 20 CO -0.37 0.12 -0.08 0.25 -3.12 0.00 0.00 179.24 176.04 1iyg h LEU 21 N -0.51 -0.65 0.21 1.55 7.12 0.31 0.58 115.31 123.91 1iyg h LEU 21 Ca -0.02 0.28 -0.01 0.00 0.13 0.00 0.00 57.88 58.26 1iyg h LEU 21 Cb 0.39 0.53 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1iyg h LEU 21 CO 0.04 -0.34 -0.10 0.11 -0.13 0.00 0.00 178.44 178.02 1iyg h LYS 22 N 0.01 -0.27 -1.24 1.25 1.57 0.11 1.41 116.57 119.41 1iyg h LYS 22 Ca 0.54 0.02 0.40 0.00 -1.87 0.00 0.00 60.65 59.75 1iyg h LYS 22 Cb 1.02 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 33.26 1iyg h LYS 22 CO -0.95 0.05 0.78 -0.97 -0.57 0.00 0.00 179.45 177.79 1iyg h ASN 23 N -0.60 0.30 0.00 0.86 -1.24 0.14 1.10 115.58 116.14 1iyg h ASN 23 Ca -0.03 0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 1iyg h ASN 23 Cb 0.44 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1iyg h ASN 23 CO 0.05 -0.17 -0.65 -0.26 -1.29 0.00 0.00 177.43 175.12 1iyg h PHE 24 N 0.14 0.00 -1.27 0.67 0.04 -0.25 -3.30 116.94 112.96 1iyg h PHE 24 Ca 0.79 0.00 0.37 0.00 2.80 0.00 0.00 57.97 61.93 1iyg h PHE 24 Cb 2.35 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 40.44 1iyg h PHE 24 CO -0.01 0.42 0.91 1.49 -0.60 0.00 0.00 178.31 180.52 1iyg h GLU 25 N -1.00 0.04 -0.32 1.51 4.81 0.30 0.85 114.58 120.77 1iyg h GLU 25 Ca -0.09 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1iyg h GLU 25 Cb 0.69 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1iyg h GLU 25 CO -0.06 0.03 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.02 1iyg h ARG 26 N 0.04 0.66 -0.28 1.92 2.43 0.11 -1.45 114.38 117.81 1iyg h ARG 26 Ca 0.62 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1iyg h ARG 26 Cb 2.39 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.91 1iyg h ARG 26 CO -0.05 0.87 0.10 -0.22 -1.51 0.00 0.00 179.97 179.16 1iyg h LYS 27 N 0.42 0.42 -0.97 0.20 3.64 0.57 0.17 116.57 121.03 1iyg h LYS 27 Ca 0.07 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1iyg h LYS 27 Cb 0.67 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 1iyg h LYS 27 CO 0.05 0.46 0.62 0.35 -2.27 0.00 0.00 179.45 178.66 1iyg h PHE 28 N 0.29 1.15 0.37 1.91 3.57 -1.07 0.45 116.94 123.62 1iyg h PHE 28 Ca 0.09 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1iyg h PHE 28 Cb 0.20 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1iyg h PHE 28 CO -0.00 0.61 -0.18 1.96 -2.23 0.00 0.00 178.31 178.46 1iyg h GLN 29 N 1.14 -0.48 -0.37 1.11 4.20 -0.91 -2.23 115.11 117.57 1iyg h GLN 29 Ca 0.41 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.23 1iyg h GLN 29 Cb 0.14 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 27.94 1iyg h GLN 29 CO -0.17 -0.32 -0.32 1.03 -0.67 0.00 0.00 178.83 178.39 1iyg h SER 30 N -0.86 -1.05 -0.96 1.46 0.87 -0.58 0.39 113.55 112.82 1iyg h SER 30 Ca -0.05 0.18 0.22 0.00 -1.23 0.00 0.00 61.79 60.92 1iyg h SER 30 Cb 0.38 0.49 -0.08 0.00 -0.44 0.00 0.00 62.40 62.75 1iyg h SER 30 CO 0.08 -0.32 0.63 -0.33 -0.53 0.00 0.00 176.83 176.36 1iyg h GLU 31 N -0.26 0.41 0.77 2.24 4.39 -0.20 0.50 114.58 122.43 1iyg h GLU 31 Ca 0.16 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1iyg h GLU 31 Cb 0.53 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1iyg h GLU 31 CO -0.51 0.27 -0.37 0.37 -1.16 0.00 0.00 179.01 177.61 1iyg h GLN 32 N 0.43 -0.99 0.00 2.33 4.15 0.38 -2.01 115.11 119.40 1iyg h GLN 32 Ca 0.52 0.07 0.00 0.00 0.77 0.00 0.00 58.65 60.01 1iyg h GLN 32 Cb 1.27 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.19 1iyg h GLN 32 CO -0.22 -0.64 0.00 0.00 -1.93 0.00 0.00 178.83 176.03 1iyg n ALA 33 N -2.62 1.44 0.07 3.38 0.00 -0.53 -1.38 120.51 120.86 1iyg n ALA 33 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1iyg n ALA 33 Cb 0.42 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 2.29 0.63 0.00 0.00 0.00 0.65 -3.47 119.26 119.36 1iyg h ALA 34 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1iyg h ALA 34 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iyg h ALA 34 CO 0.00 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1iyg n GLY 35 N 0.56 1.05 0.00 0.00 0.00 -0.48 -5.07 105.19 101.26 1iyg n GLY 35 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1iyg n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyg n SER 36 N 0.00 0.00 -4.77 1.61 7.64 -0.89 -4.99 113.62 112.22 1iyg n SER 36 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1iyg n SER 36 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1iyg n SER 36 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1iyg s VAL 37 N -0.58 3.78 0.16 0.44 1.01 -1.25 -4.61 120.40 119.35 1iyg s VAL 37 Ca 0.00 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 63.48 1iyg s VAL 37 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1iyg s VAL 37 CO 0.00 0.22 0.44 -0.44 0.00 0.00 0.00 175.10 175.32 1iyg s SER 38 N -1.29 6.57 0.23 3.32 0.01 -1.26 -4.94 113.70 116.34 1iyg s SER 38 Ca 0.50 0.75 -0.12 0.00 1.31 0.00 0.00 55.95 58.39 1iyg s SER 38 Cb -0.25 -2.16 0.30 0.00 0.21 0.00 0.00 66.02 64.12 1iyg s SER 38 CO 0.32 0.03 1.61 0.07 0.41 0.00 0.00 173.24 175.68 1iyg h LYS 39 N 2.91 0.00 -0.78 12.44 2.10 -1.97 0.10 116.57 131.37 1iyg h LYS 39 Ca -0.47 -0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.25 1iyg h LYS 39 Cb 1.17 -0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.41 1iyg h LYS 39 CO 0.70 0.00 -0.46 0.43 -2.00 0.00 0.00 179.45 178.13 1iyg n SER 40 N -5.48 -0.82 -0.07 7.07 7.64 -1.26 0.12 113.62 120.81 1iyg n SER 40 Ca 0.10 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1iyg n SER 40 Cb 0.38 -0.27 0.29 0.00 -1.01 0.00 0.00 64.21 63.61 1iyg n SER 40 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1iyg h THR 41 N 0.00 1.18 0.12 0.44 2.02 -1.48 -1.11 112.91 114.07 1iyg h THR 41 Ca 0.12 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1iyg h THR 41 Cb 0.32 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1iyg h THR 41 CO -0.73 0.22 -0.10 -0.61 0.37 0.00 0.00 175.52 174.67 1iyg h GLN 42 N 0.69 -0.20 -0.55 6.66 4.15 0.33 0.51 115.11 126.70 1iyg h GLN 42 Ca 0.17 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.75 1iyg h GLN 42 Cb 0.13 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1iyg h GLN 42 CO -0.02 -0.13 0.39 0.35 -1.93 0.00 0.00 178.83 177.49 1iyg h PHE 43 N -0.21 0.09 0.00 3.99 3.57 -0.16 -1.18 116.94 123.04 1iyg h PHE 43 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1iyg h PHE 43 Cb 0.17 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1iyg h PHE 43 CO -0.04 0.04 0.00 0.39 -2.23 0.00 0.00 178.31 176.47 1iyg n GLU 44 N -4.40 0.00 -0.33 1.11 1.02 -0.43 0.25 120.64 117.86 1iyg n GLU 44 Ca 0.10 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.41 1iyg n GLU 44 Cb 0.57 -0.78 0.33 0.00 -0.02 0.00 0.00 31.44 31.53 1iyg n GLU 44 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1iyg n TYR 45 N -0.38 0.69 -0.16 -0.32 9.36 0.13 0.21 117.16 126.68 1iyg n TYR 45 Ca 0.00 1.16 -0.08 0.00 3.32 0.00 0.00 57.90 62.30 1iyg n TYR 45 Cb 0.00 -1.27 0.01 0.00 -0.63 0.00 0.00 39.34 37.45 1iyg n TYR 45 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iyg h ALA 46 N 1.93 0.61 -0.84 2.98 0.00 -1.28 -0.71 119.26 121.95 1iyg h ALA 46 Ca 0.62 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.57 1iyg h ALA 46 Cb 1.35 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1iyg h ALA 46 CO -0.88 0.10 0.55 2.35 0.00 0.00 0.00 179.25 181.36 1iyg h TRP 47 N 0.63 0.84 0.58 0.00 -0.00 0.69 -1.25 115.95 117.46 1iyg h TRP 47 Ca 0.17 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.06 1iyg h TRP 47 Cb -0.00 -0.27 0.01 0.00 -0.00 0.00 0.00 29.16 28.89 1iyg h TRP 47 CO -0.03 0.38 -0.28 0.00 -0.00 0.00 0.00 178.44 178.52 1iyg h LEU 49 N -0.91 -1.15 -5.02 0.00 4.07 -0.04 0.12 115.31 112.37 1iyg h LEU 49 Ca -0.08 0.30 -0.33 0.00 0.08 0.00 0.00 57.88 57.85 1iyg h LEU 49 Cb 0.64 0.68 -0.00 0.00 1.08 0.00 0.00 40.66 43.06 1iyg h LEU 49 CO 0.13 -0.31 1.89 1.33 -1.08 0.00 0.00 178.44 180.40 1iyg n VAL 50 N -5.56 2.52 0.00 1.22 0.24 -0.77 -2.26 118.33 113.72 1iyg n VAL 50 Ca 0.13 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 1iyg n VAL 50 Cb 0.45 -2.09 0.00 0.00 -1.47 0.00 0.00 33.84 30.73 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 3.61 0.00 -0.96 7.34 1.74 0.36 -4.75 116.66 124.00 1iyg n ARG 51 Ca 0.43 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.16 1iyg n ARG 51 Cb 0.30 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.79 1iyg n ARG 51 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1iyg n SER 52 N -0.84 -5.16 0.02 0.55 2.88 -0.91 -2.18 113.62 107.98 1iyg n SER 52 Ca 0.00 0.18 0.10 0.00 -1.33 0.00 0.00 58.87 57.83 1iyg n SER 52 Cb 0.00 -0.81 0.44 0.00 -0.75 0.00 0.00 64.21 63.09 1iyg n SER 52 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iyg n LYS 53 N 1.79 0.04 -3.41 -1.46 2.85 -1.25 -4.59 118.16 112.12 1iyg n LYS 53 Ca -0.01 0.18 -0.23 0.00 -1.05 0.00 0.00 58.31 57.20 1iyg n LYS 53 Cb 0.57 -1.56 -0.01 0.00 -0.65 0.00 0.00 35.03 33.39 1iyg n LYS 53 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1iyg s TYR 54 N -3.04 3.47 -0.24 5.58 1.51 -1.26 -5.03 117.35 118.33 1iyg s TYR 54 Ca 0.09 0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1iyg s TYR 54 Cb 0.13 -1.89 -0.17 0.00 -0.11 0.00 0.00 41.96 39.92 1iyg s TYR 54 CO 0.39 0.12 -0.16 0.09 -1.11 0.00 0.00 175.55 174.88 1iyg n ASN 55 N -1.77 1.99 -0.29 2.29 4.13 -1.26 -3.90 115.26 116.44 1iyg n ASN 55 Ca -0.05 0.08 0.30 0.00 1.68 0.00 0.00 54.58 56.60 1iyg n ASN 55 Cb 0.56 -0.62 0.68 0.00 -1.54 0.00 0.00 39.78 38.86 1iyg n ASN 55 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1iyg h GLU 56 N -0.35 0.11 0.24 3.52 5.08 -1.97 -0.09 114.58 121.13 1iyg h GLU 56 Ca -0.58 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 1iyg h GLU 56 Cb 1.80 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1iyg h GLU 56 CO -0.17 0.07 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.35 1iyg h ASP 57 N 0.11 -0.28 -0.62 1.42 3.32 -1.87 -3.28 116.42 115.22 1iyg h ASP 57 Ca 0.54 -0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.50 1iyg h ASP 57 Cb 1.94 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 41.46 1iyg h ASP 57 CO -0.09 0.23 -0.26 -0.38 -1.72 0.00 0.00 179.24 177.02 1iyg n ILE 58 N -4.99 -0.34 -0.21 0.35 5.41 -0.08 0.24 119.36 119.74 1iyg n ILE 58 Ca -0.07 1.47 -0.04 0.00 1.00 0.00 0.00 62.75 65.11 1iyg n ILE 58 Cb 0.23 -1.92 0.02 0.00 -0.71 0.00 0.00 39.64 37.25 1iyg n ILE 58 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1iyg h ARG 59 N 0.00 -0.13 -0.81 0.38 2.43 -1.55 0.80 114.38 115.49 1iyg h ARG 59 Ca 0.20 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.56 1iyg h ARG 59 Cb 0.36 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1iyg h ARG 59 CO -0.62 -0.09 0.54 0.00 -1.51 0.00 0.00 179.97 178.30 1iyg h ARG 60 N -0.14 0.36 0.00 0.20 -0.00 0.30 1.10 114.38 116.20 1iyg h ARG 60 Ca 0.25 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.70 1iyg h ARG 60 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.43 1iyg h ARG 60 CO -0.68 0.24 0.00 0.41 0.00 0.00 0.00 179.97 179.93 1iyg n GLY 61 N -1.54 -0.85 0.01 0.04 0.00 0.27 -3.59 105.19 99.54 1iyg n GLY 61 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1iyg n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1iyg n ILE 62 N -1.19 0.25 -0.12 -0.61 5.41 0.38 -3.60 119.36 119.86 1iyg n ILE 62 Ca 0.12 0.45 -0.03 0.00 1.00 0.00 0.00 62.75 64.28 1iyg n ILE 62 Cb 0.13 -1.65 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 1iyg n ILE 62 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1iyg n VAL 63 N -2.74 -0.20 0.08 1.39 3.14 -1.03 0.27 118.33 119.24 1iyg n VAL 63 Ca -0.02 0.92 -0.14 0.00 -2.96 0.00 0.00 64.34 62.14 1iyg n VAL 63 Cb 0.07 -1.16 -0.07 0.00 -1.06 0.00 0.00 33.84 31.62 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 -1.29 -0.60 6.55 3.38 -1.80 1.58 115.31 123.12 1iyg h LEU 64 Ca 0.05 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1iyg h LEU 64 Cb 0.12 0.50 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 1iyg h LEU 64 CO -0.28 -0.48 0.13 -0.07 0.09 0.00 0.00 178.44 177.83 1iyg h LEU 65 N -0.61 0.00 -0.78 1.67 4.07 0.24 1.25 115.31 121.15 1iyg h LEU 65 Ca 0.03 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1iyg h LEU 65 Cb 0.67 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1iyg h LEU 65 CO -0.29 0.01 0.00 -0.33 -1.08 0.00 0.00 178.44 176.75 1iyg h GLU 66 N 0.26 0.00 0.06 1.13 5.08 0.52 -0.01 114.58 121.61 1iyg h GLU 66 Ca 0.32 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.35 1iyg h GLU 66 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1iyg h GLU 66 CO -0.40 0.00 -1.81 0.93 -1.00 0.00 0.00 179.01 176.72 1iyg h GLU 67 N 0.00 0.13 0.00 2.33 5.08 0.97 -3.33 114.58 119.75 1iyg h GLU 67 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1iyg h GLU 67 Cb 0.41 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1iyg h GLU 67 CO 0.00 0.83 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.55 1iyg h LEU 68 N 0.03 0.00 0.23 1.33 3.38 0.14 -3.13 115.31 117.30 1iyg h LEU 68 Ca -0.34 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1iyg h LEU 68 Cb 2.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1iyg h LEU 68 CO 0.09 0.04 -0.42 -0.07 0.09 0.00 0.00 178.44 178.16 1iyg h LEU 69 N 0.00 -1.23 -0.65 1.67 -0.00 -1.11 0.47 115.31 114.45 1iyg h LEU 69 Ca 0.00 0.12 -0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1iyg h LEU 69 Cb 0.75 0.44 -0.01 0.00 -0.00 0.00 0.00 40.66 41.84 1iyg h LEU 69 CO 0.00 -0.49 -0.28 1.55 -0.00 0.00 0.00 178.44 179.22 1iyg h PRO 70 N -0.70 0.00 -0.81 1.13 0.13 -1.76 -2.79 132.00 127.20 1iyg h PRO 70 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1iyg h PRO 70 Cb 0.66 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 1iyg h PRO 70 CO -0.16 0.28 0.09 1.63 -0.23 0.00 0.00 178.00 179.61 1iyg n LYS 71 N -3.30 2.97 -1.29 0.86 5.02 -0.90 -4.90 118.16 116.63 1iyg n LYS 71 Ca 0.01 -1.86 -0.10 0.00 -2.02 0.00 0.00 58.31 54.34 1iyg n LYS 71 Cb 0.53 -1.90 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1iyg n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iyg n GLY 72 N 0.17 0.26 0.41 0.72 0.00 0.16 -4.88 105.19 102.03 1iyg n GLY 72 Ca 0.21 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 1iyg n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyg n SER 73 N -3.05 1.61 0.00 1.61 7.64 -1.26 -5.04 113.62 115.13 1iyg n SER 73 Ca 0.07 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1iyg n SER 73 Cb 0.25 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1iyg n SER 73 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1iyg n LYS 74 N -4.09 0.00 0.00 1.43 4.76 -1.26 -4.91 118.16 114.08 1iyg n LYS 74 Ca -0.14 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.43 1iyg n LYS 74 Cb 0.42 0.00 0.66 0.00 -1.84 0.00 0.00 35.03 34.26 1iyg n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1iyg n GLU 75 N -1.68 0.42 0.13 1.97 1.02 -1.26 -2.48 120.64 118.76 1iyg n GLU 75 Ca 0.00 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.27 1iyg n GLU 75 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 1iyg n GLU 75 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1iyg h GLU 76 N 0.00 0.00 0.00 3.49 4.39 -1.97 -3.26 114.58 117.23 1iyg h GLU 76 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1iyg h GLU 76 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1iyg h GLU 76 CO 0.00 0.12 -0.26 1.96 -1.16 0.00 0.00 179.01 179.66 1iyg h GLN 77 N 0.00 0.00 -0.05 2.33 4.20 -1.82 -2.56 115.11 117.21 1iyg h GLN 77 Ca -0.03 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 1iyg h GLN 77 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1iyg h GLN 77 CO 0.02 0.26 -0.65 0.00 -0.67 0.00 0.00 178.83 177.79 1iyg h ARG 78 N 0.00 0.21 0.00 1.46 -0.00 -1.71 -1.92 114.38 112.42 1iyg h ARG 78 Ca -0.00 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.32 1iyg h ARG 78 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.75 1iyg h ARG 78 CO 0.03 0.79 -0.01 -0.44 0.00 0.00 0.00 179.97 180.35 1iyg h ASP 79 N 0.15 0.00 0.00 7.04 3.32 -1.61 -3.20 116.42 122.13 1iyg h ASP 79 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1iyg h ASP 79 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1iyg h ASP 79 CO 0.10 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.40 1iyg n TYR 80 N -2.42 0.00 -0.32 4.55 4.01 -1.00 -3.92 117.16 118.06 1iyg n TYR 80 Ca 0.05 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 1iyg n TYR 80 Cb 0.45 -0.24 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.53 -0.47 -0.30 -0.72 0.31 -0.75 0.20 118.33 115.06 1iyg n VAL 81 Ca 0.00 1.94 0.18 0.00 -0.01 0.00 0.00 64.34 66.45 1iyg n VAL 81 Cb 0.00 -2.51 0.34 0.00 -0.91 0.00 0.00 33.84 30.76 1iyg n VAL 81 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1iyg n PHE 82 N -5.15 0.71 -0.03 3.52 7.35 -1.21 0.18 117.46 122.83 1iyg n PHE 82 Ca 0.06 1.07 -0.15 0.00 -0.76 0.00 0.00 57.45 57.67 1iyg n PHE 82 Cb 0.29 -1.26 -0.13 0.00 0.35 0.00 0.00 39.48 38.74 1iyg n PHE 82 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1iyg h TYR 83 N 0.00 0.16 -1.19 -5.13 -1.99 0.21 -2.70 116.97 106.33 1iyg h TYR 83 Ca 0.61 -0.10 0.34 0.00 2.00 0.00 0.00 58.73 61.57 1iyg h TYR 83 Cb 1.39 -0.01 -0.08 0.00 2.00 0.00 0.00 36.73 40.03 1iyg h TYR 83 CO -0.32 1.01 0.82 -0.07 -0.00 0.00 0.00 178.16 179.60 1iyg h LEU 84 N -0.73 0.20 0.08 3.88 4.07 0.19 1.59 115.31 124.59 1iyg h LEU 84 Ca -0.03 0.05 -0.27 0.00 0.08 0.00 0.00 57.88 57.71 1iyg h LEU 84 Cb 1.08 0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.85 1iyg h LEU 84 CO 0.04 0.01 -1.21 0.00 -1.08 0.00 0.00 178.44 176.19 1iyg h ALA 85 N 1.49 0.11 -0.31 1.53 0.00 -0.42 -0.62 119.26 121.04 1iyg h ALA 85 Ca 0.63 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1iyg h ALA 85 Cb 2.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 1iyg h ALA 85 CO -0.17 0.90 0.04 0.28 0.00 0.00 0.00 179.25 180.29 1iyg h VAL 86 N 0.12 1.24 -0.02 0.00 2.07 0.23 0.20 116.25 120.10 1iyg h VAL 86 Ca -0.14 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1iyg h VAL 86 Cb 1.92 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1iyg h VAL 86 CO 0.21 0.28 -0.02 1.23 0.02 0.00 0.00 177.57 179.29 1iyg h GLY 87 N 0.34 0.04 0.61 2.17 0.00 0.24 -2.65 103.07 103.82 1iyg h GLY 87 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1iyg h GLY 87 CO 0.01 0.04 -0.01 3.43 0.00 0.00 0.00 176.54 180.01 1iyg h ASN 88 N -0.44 -0.11 -0.60 0.19 2.35 -1.10 -1.93 115.58 113.93 1iyg h ASN 88 Ca 0.00 0.06 0.12 0.00 -0.55 0.00 0.00 56.30 55.93 1iyg h ASN 88 Cb 0.52 0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.90 1iyg h ASN 88 CO 0.00 -0.03 0.05 0.22 -1.65 0.00 0.00 177.43 176.02 1iyg h TYR 89 N 0.07 0.04 -0.73 1.19 3.20 -0.61 0.47 116.97 120.60 1iyg h TYR 89 Ca 0.12 0.04 0.20 0.00 3.14 0.00 0.00 58.73 62.22 1iyg h TYR 89 Cb 0.15 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1iyg h TYR 89 CO -0.20 -0.12 0.51 -0.09 -1.64 0.00 0.00 178.16 176.62 1iyg h ARG 90 N 0.16 0.09 -0.81 1.82 1.12 -0.98 1.19 114.38 116.97 1iyg h ARG 90 Ca 0.32 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 59.07 1iyg h ARG 90 Cb 0.50 -0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.38 1iyg h ARG 90 CO -0.48 0.06 0.14 1.28 -3.11 0.00 0.00 179.97 177.86 1iyg n LEU 91 N -4.36 4.56 -1.63 3.80 4.77 0.14 -4.84 117.00 119.45 1iyg n LEU 91 Ca 0.14 -2.35 -0.13 0.00 -0.03 0.00 0.00 56.01 53.65 1iyg n LEU 91 Cb 0.74 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1iyg n LEU 91 CO 0.36 0.62 -0.13 2.29 -1.33 0.00 0.00 177.39 179.20 1iyg n LYS 92 N 0.09 -1.50 -1.03 3.23 2.85 0.41 -4.77 118.16 117.44 1iyg n LYS 92 Ca 0.25 0.72 -0.15 0.00 -1.05 0.00 0.00 58.31 58.07 1iyg n LYS 92 Cb 1.01 -5.04 -0.06 0.00 -0.65 0.00 0.00 35.03 30.29 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1iyg n GLU 93 N -2.07 1.89 -0.35 -1.58 -0.58 -0.04 -4.65 120.64 113.25 1iyg n GLU 93 Ca -0.13 -1.35 0.07 0.00 -0.42 0.00 0.00 57.16 55.33 1iyg n GLU 93 Cb 0.46 -1.77 0.15 0.00 -0.57 0.00 0.00 31.44 29.71 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 2.29 -0.48 0.00 -0.32 0.05 -1.84 0.16 116.97 116.82 1iyg h TYR 94 Ca 0.24 0.09 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1iyg h TYR 94 Cb 1.05 0.37 0.00 0.00 1.01 0.00 0.00 36.73 39.16 1iyg h TYR 94 CO 1.19 -0.43 0.00 0.39 -1.05 0.00 0.00 178.16 178.26 1iyg n GLU 95 N -5.61 0.00 0.03 4.88 1.02 -1.26 0.98 120.64 120.68 1iyg n GLU 95 Ca 0.16 0.79 -0.11 0.00 -0.02 0.00 0.00 57.16 57.99 1iyg n GLU 95 Cb 0.52 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.63 1iyg n GLU 95 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iyg h LYS 96 N 0.00 -0.16 0.00 3.49 1.57 -1.71 -0.10 116.57 119.65 1iyg h LYS 96 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1iyg h LYS 96 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1iyg h LYS 96 CO 0.00 -0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.77 1iyg n ALA 97 N -2.41 0.00 0.02 3.86 0.00 0.48 0.67 120.51 123.13 1iyg n ALA 97 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1iyg n ALA 97 Cb 0.17 0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 1iyg n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1iyg h LEU 98 N 0.00 -1.33 -1.54 0.00 3.38 0.73 1.25 115.31 117.80 1iyg h LEU 98 Ca 0.00 0.15 0.47 0.00 0.09 0.00 0.00 57.88 58.60 1iyg h LEU 98 Cb 0.00 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1iyg h LEU 98 CO 0.00 -0.40 1.07 0.29 0.09 0.00 0.00 178.44 179.49 1iyg n LYS 99 N -4.82 -0.01 -0.01 1.13 4.01 -0.06 0.24 118.16 118.63 1iyg n LYS 99 Ca -0.05 1.02 -0.22 0.00 -0.51 0.00 0.00 58.31 58.55 1iyg n LYS 99 Cb 0.31 -2.20 -0.13 0.00 -0.51 0.00 0.00 35.03 32.49 1iyg n LYS 99 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 1iyg h TYR 100 N 0.00 0.38 -0.17 2.13 0.05 0.46 -3.11 116.97 116.71 1iyg h TYR 100 Ca 0.81 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 59.29 1iyg h TYR 100 Cb 3.02 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 40.73 1iyg h TYR 100 CO -0.00 1.67 0.04 0.28 -1.05 0.00 0.00 178.16 179.09 1iyg h VAL 101 N -0.24 1.21 0.00 -2.88 2.07 1.15 -1.11 116.25 116.44 1iyg h VAL 101 Ca -0.38 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1iyg h VAL 101 Cb 1.82 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1iyg h VAL 101 CO 0.02 0.21 -0.10 0.03 0.02 0.00 0.00 177.57 177.75 1iyg h ARG 102 N 0.08 0.00 -0.03 1.57 2.47 0.29 0.25 114.38 119.01 1iyg h ARG 102 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1iyg h ARG 102 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1iyg h ARG 102 CO 0.00 0.10 0.00 0.41 0.56 0.00 0.00 179.97 181.04 1iyg n GLY 103 N -1.20 -0.24 0.47 0.04 0.00 -0.91 -3.77 105.19 99.58 1iyg n GLY 103 Ca -0.03 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.12 1.21 -0.12 0.99 -0.00 0.33 -4.46 117.00 114.83 1iyg n LEU 104 Ca 0.20 0.21 0.27 0.00 -0.00 0.00 0.00 56.01 56.69 1iyg n LEU 104 Cb 0.28 -0.50 0.69 0.00 -0.00 0.00 0.00 43.42 43.89 1iyg n LEU 104 CO 0.16 0.34 1.25 -0.07 -0.00 0.00 0.00 177.39 179.07 1iyg h LEU 105 N -0.61 0.00 -0.04 -1.96 -0.00 -0.78 -0.69 115.31 111.23 1iyg h LEU 105 Ca -0.43 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.46 1iyg h LEU 105 Cb 1.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.02 1iyg h LEU 105 CO -0.26 0.00 -0.11 1.56 -0.00 0.00 0.00 178.44 179.63 1iyg h GLN 106 N 0.00 -0.11 -0.00 1.13 1.08 -1.78 1.29 115.11 116.72 1iyg h GLN 106 Ca 0.39 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 1iyg h GLN 106 Cb 1.88 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.33 1iyg h GLN 106 CO -0.00 -0.07 -0.00 -2.37 -0.95 0.00 0.00 178.83 175.43 1iyg n THR 107 N -3.17 0.00 -3.18 -0.54 5.66 -0.66 -3.84 114.28 108.55 1iyg n THR 107 Ca -0.01 -0.01 -0.19 0.00 -3.05 0.00 0.00 64.05 60.78 1iyg n THR 107 Cb 0.08 -0.45 -0.04 0.00 -1.55 0.00 0.00 70.33 68.37 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 -0.99 0.90 0.14 1.09 1.02 -0.20 -4.91 120.64 117.69 1iyg n GLU 108 Ca 0.22 -3.30 0.01 0.00 -0.02 0.00 0.00 57.16 54.07 1iyg n GLU 108 Cb 0.15 -1.56 0.15 0.00 -0.02 0.00 0.00 31.44 30.15 1iyg n GLU 108 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1iyg h PRO 109 N 3.27 0.00 0.12 3.49 0.13 0.15 -3.17 132.00 135.99 1iyg h PRO 109 Ca 0.09 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.94 1iyg h PRO 109 Cb 0.95 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.09 1iyg h PRO 109 CO 0.48 0.58 -1.22 -0.56 -0.23 0.00 0.00 178.00 177.05 1iyg h GLN 110 N 0.00 0.36 -6.01 0.86 3.07 -1.91 -3.45 115.11 108.03 1iyg h GLN 110 Ca -0.01 -0.56 -0.74 0.00 0.09 0.00 0.00 58.65 57.44 1iyg h GLN 110 Cb 1.20 0.20 -0.02 0.00 0.08 0.00 0.00 27.48 28.94 1iyg h GLN 110 CO 0.08 1.24 1.26 -1.71 0.09 0.00 0.00 178.83 179.79 1iyg n ASN 111 N -3.62 1.47 0.20 0.06 2.85 -1.20 -4.82 115.26 110.20 1iyg n ASN 111 Ca -0.10 0.67 -0.13 0.00 -0.11 0.00 0.00 54.58 54.91 1iyg n ASN 111 Cb 1.00 -1.06 -0.07 0.00 1.24 0.00 0.00 39.78 40.89 1iyg n ASN 111 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1iyg h ASN 112 N 9.70 -0.45 -0.93 1.20 2.35 -1.89 -2.07 115.58 123.49 1iyg h ASN 112 Ca -0.23 -0.13 0.17 0.00 -0.55 0.00 0.00 56.30 55.57 1iyg h ASN 112 Cb 1.37 0.12 -0.17 0.00 0.05 0.00 0.00 38.32 39.69 1iyg h ASN 112 CO 1.04 -0.06 -0.28 0.00 -1.65 0.00 0.00 177.43 176.48 1iyg n GLN 113 N -5.17 -0.13 -0.16 0.81 6.02 -1.26 0.19 117.38 117.67 1iyg n GLN 113 Ca -0.10 1.45 -0.08 0.00 -0.01 0.00 0.00 57.00 58.27 1iyg n GLN 113 Cb 0.28 -2.16 0.01 0.00 1.02 0.00 0.00 30.24 29.40 1iyg n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iyg h ALA 114 N 1.67 0.61 -0.03 -1.58 0.00 -1.90 -1.80 119.26 116.22 1iyg h ALA 114 Ca 0.41 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1iyg h ALA 114 Cb 0.64 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1iyg h ALA 114 CO -0.95 0.12 -0.28 0.87 0.00 0.00 0.00 179.25 179.01 1iyg h LYS 115 N 0.64 -0.39 0.01 0.00 1.57 0.28 -0.99 116.57 117.68 1iyg h LYS 115 Ca 0.17 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1iyg h LYS 115 Cb 0.02 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1iyg h LYS 115 CO -0.03 -0.26 -0.41 0.93 -0.57 0.00 0.00 179.45 179.12 1iyg h GLU 116 N -0.40 -0.50 -0.80 3.15 4.39 0.00 -0.84 114.58 119.59 1iyg h GLU 116 Ca 0.07 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.88 1iyg h GLU 116 Cb 0.51 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.17 1iyg h GLU 116 CO -0.26 -0.33 -0.49 1.25 -1.16 0.00 0.00 179.01 178.01 1iyg h LEU 117 N -0.51 -1.81 -1.33 1.33 6.46 -1.04 2.11 115.31 120.52 1iyg h LEU 117 Ca 0.01 0.27 0.34 0.00 -0.12 0.00 0.00 57.88 58.38 1iyg h LEU 117 Cb 0.55 0.79 -0.12 0.00 -0.73 0.00 0.00 40.66 41.16 1iyg h LEU 117 CO -0.27 -0.21 0.73 -0.08 -0.62 0.00 0.00 178.44 178.00 1iyg h GLU 118 N -0.03 0.24 0.14 1.25 4.22 -0.69 1.01 114.58 120.72 1iyg h GLU 118 Ca 0.13 -0.01 -0.28 0.00 0.08 0.00 0.00 59.36 59.27 1iyg h GLU 118 Cb 0.36 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1iyg h GLU 118 CO -0.77 0.16 -1.28 -0.09 -2.18 0.00 0.00 179.01 174.85 1iyg h ARG 119 N 0.25 0.29 0.43 1.92 9.65 0.38 -3.13 114.38 124.17 1iyg h ARG 119 Ca 0.71 -0.49 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1iyg h ARG 119 Cb 1.98 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.75 1iyg h ARG 119 CO -0.39 1.23 -0.21 -0.07 2.80 0.00 0.00 179.97 183.33 1iyg h LEU 120 N 0.08 -0.50 -1.68 3.80 3.38 1.05 -1.87 115.31 119.57 1iyg h LEU 120 Ca -0.15 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.03 1iyg h LEU 120 Cb 1.99 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.84 1iyg h LEU 120 CO 0.21 -0.35 0.73 0.40 0.09 0.00 0.00 178.44 179.51 1iyg h ILE 121 N -0.58 0.24 -0.59 1.22 2.04 -0.96 0.68 117.51 119.56 1iyg h ILE 121 Ca -0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1iyg h ILE 121 Cb 0.45 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1iyg h ILE 121 CO 0.09 0.00 0.25 -0.78 0.00 0.00 0.00 178.15 177.72 1iyg h ASP 122 N 0.00 0.30 0.17 1.72 3.58 -1.28 -1.90 116.42 119.01 1iyg h ASP 122 Ca 0.32 0.06 -0.35 0.00 0.42 0.00 0.00 57.03 57.48 1iyg h ASP 122 Cb 1.77 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.84 1iyg h ASP 122 CO -0.00 0.19 -1.77 0.50 -2.88 0.00 0.00 179.24 175.28 1iyg h LYS 123 N 0.46 0.36 -1.35 0.28 3.64 0.34 -3.31 116.57 116.99 1iyg h LYS 123 Ca 0.28 -0.61 0.47 0.00 -1.27 0.00 0.00 60.65 59.53 1iyg h LYS 123 Cb 0.29 0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 32.19 1iyg h LYS 123 CO -0.25 1.29 0.85 0.00 -2.27 0.00 0.00 179.45 179.08 1iyg h ALA 124 N 0.08 2.77 0.13 5.00 0.00 -0.58 0.68 119.26 127.34 1iyg h ALA 124 Ca -0.36 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1iyg h ALA 124 Cb 2.05 0.26 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1iyg h ALA 124 CO 0.15 -1.48 -0.06 0.52 0.00 0.00 0.00 179.25 178.38 1iyg h MET 125 N 0.01 -0.16 -1.82 0.00 2.86 -1.46 -3.28 114.93 111.07 1iyg h MET 125 Ca 0.88 0.01 -0.42 0.00 -2.06 0.00 0.00 59.70 58.11 1iyg h MET 125 Cb 2.78 0.04 -0.16 0.00 0.06 0.00 0.00 31.60 34.32 1iyg h MET 125 CO -0.50 0.31 0.35 1.63 1.06 0.00 0.00 176.91 179.76 1iyg n LYS 126 N -4.88 2.16 -3.64 1.72 5.02 0.21 -4.75 118.16 114.00 1iyg n LYS 126 Ca -0.08 -1.99 -0.02 0.00 -2.02 0.00 0.00 58.31 54.21 1iyg n LYS 126 Cb 0.27 -1.95 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 1iyg n LYS 126 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1iyg s LYS 127 N -1.59 0.36 0.03 1.97 -2.85 0.43 -4.92 119.74 113.17 1iyg s LYS 127 Ca 0.49 0.64 -0.13 0.00 -1.00 0.00 0.00 55.97 55.97 1iyg s LYS 127 Cb 0.33 0.08 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1iyg s LYS 127 CO -0.13 -0.08 0.28 -1.54 0.10 0.00 0.00 175.35 173.98 1iyg s SER 128 N 1.36 -0.10 0.40 0.03 1.04 -1.26 -4.64 113.70 110.52 1iyg s SER 128 Ca -0.09 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1iyg s SER 128 Cb -0.04 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 1iyg s SER 128 CO -0.15 -0.56 0.14 -0.83 0.98 0.00 0.00 173.24 172.82 1iyg s GLY 129 N -1.89 2.31 -0.99 7.32 0.00 -1.26 -5.05 107.32 107.76 1iyg s GLY 129 Ca -0.07 -2.11 -0.23 0.00 0.00 0.00 0.00 44.72 42.31 1iyg s GLY 129 CO -0.02 -1.93 1.71 2.56 0.00 0.00 0.00 173.10 175.43 1iyg s PRO 130 N -3.86 3.10 -0.05 2.90 0.04 -1.26 -4.93 135.00 130.95 1iyg s PRO 130 Ca 0.39 -0.81 0.04 0.00 0.04 0.00 0.00 61.00 60.66 1iyg s PRO 130 Cb 0.04 -5.23 -0.00 0.00 0.04 0.00 0.00 34.50 29.34 1iyg s PRO 130 CO 0.22 -2.82 -0.17 -1.54 0.04 0.00 0.00 177.00 172.73 1iyg s SER 131 N 6.35 2.12 0.19 6.66 1.04 -1.26 -5.01 113.70 123.79 1iyg s SER 131 Ca 0.58 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1iyg s SER 131 Cb -0.03 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.44 1iyg s SER 131 CO -0.04 0.14 0.00 -1.20 0.98 0.00 0.00 173.24 173.12 1iyg n SER 132 N 3.24 0.26 0.00 7.02 7.64 -1.26 -5.27 113.62 125.25 1iyg n SER 132 Ca -0.19 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1iyg n SER 132 Cb 0.53 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64