#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 1.39 -0.29 1.61 0.01 -1.26 -5.02 113.70 110.13 1iyg s SER 2 Ca 0.00 -1.22 -0.19 0.00 1.31 0.00 0.00 55.95 55.84 1iyg s SER 2 Cb 0.00 0.09 0.16 0.00 0.21 0.00 0.00 66.02 66.49 1iyg s SER 2 CO 0.00 -0.58 1.12 -0.55 0.41 0.00 0.00 173.24 173.64 1iyg s SER 3 N -3.24 -0.33 -1.27 2.44 0.15 -1.26 -5.08 113.70 105.12 1iyg s SER 3 Ca 0.28 0.57 -0.12 0.00 0.70 0.00 0.00 55.95 57.37 1iyg s SER 3 Cb 0.06 0.93 0.15 0.00 -1.71 0.00 0.00 66.02 65.45 1iyg s SER 3 CO 0.07 -0.09 1.71 0.61 1.20 0.00 0.00 173.24 176.73 1iyg n GLY 4 N 2.93 3.95 3.59 9.45 0.00 -1.26 -4.87 105.19 118.97 1iyg n GLY 4 Ca -0.16 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 43.85 1iyg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iyg s SER 5 N 2.19 -0.22 -0.49 1.61 0.15 -1.26 -5.11 113.70 110.57 1iyg s SER 5 Ca 0.43 -0.09 -0.45 0.00 0.70 0.00 0.00 55.95 56.54 1iyg s SER 5 Cb 0.04 0.30 -0.19 0.00 -1.71 0.00 0.00 66.02 64.46 1iyg s SER 5 CO 0.00 -0.51 1.78 -1.54 1.20 0.00 0.00 173.24 174.18 1iyg n SER 6 N -0.27 1.01 0.00 5.45 3.41 -1.26 -4.72 113.62 117.24 1iyg n SER 6 Ca -0.06 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1iyg n SER 6 Cb 0.61 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1iyg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyg n GLY 7 N 5.29 -0.03 1.25 5.00 0.00 -1.26 -4.96 105.19 110.47 1iyg n GLY 7 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.89 0.00 0.15 1.61 1.56 -1.26 -4.25 117.12 114.04 1iyg n MET 8 Ca 0.00 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.53 1iyg n MET 8 Cb 0.00 -0.39 0.54 0.00 2.15 0.00 0.00 33.22 35.52 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 -3.35 0.13 -0.10 2.12 2.13 -1.26 -0.44 120.64 119.86 1iyg n GLU 9 Ca 0.00 0.63 -0.18 0.00 0.66 0.00 0.00 57.16 58.27 1iyg n GLU 9 Cb 0.10 -1.92 -0.13 0.00 0.27 0.00 0.00 31.44 29.76 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 -1.75 1.35 -0.16 4.31 0.00 -1.26 -2.86 120.51 120.12 1iyg n ALA 10 Ca -0.01 -1.03 -0.08 0.00 0.00 0.00 0.00 53.44 52.31 1iyg n ALA 10 Cb 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 19.45 19.27 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 0.01 1.21 -0.13 0.00 2.07 -1.33 0.25 116.25 118.33 1iyg h VAL 11 Ca -0.55 -0.64 -0.20 0.00 0.82 0.00 0.00 66.70 66.14 1iyg h VAL 11 Cb 1.95 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1iyg h VAL 11 CO -0.05 0.24 -0.70 -0.07 0.02 0.00 0.00 177.57 177.02 1iyg h LEU 12 N 0.62 0.83 0.58 2.57 3.38 -0.96 -3.30 115.31 119.03 1iyg h LEU 12 Ca 0.16 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1iyg h LEU 12 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1iyg h LEU 12 CO -0.01 1.34 -0.46 0.78 0.09 0.00 0.00 178.44 180.18 1iyg h ASN 13 N 0.38 -1.21 -3.53 -0.43 -0.26 -1.36 -3.41 115.58 105.76 1iyg h ASN 13 Ca -0.05 0.08 -0.52 0.00 -0.56 0.00 0.00 56.30 55.25 1iyg h ASN 13 Cb 1.33 0.38 0.06 0.00 -1.06 0.00 0.00 38.32 39.03 1iyg h ASN 13 CO 0.14 -0.65 0.71 -0.70 -1.06 0.00 0.00 177.43 175.87 1iyg s GLU 14 N -5.61 4.31 0.33 0.81 2.12 0.85 -5.02 118.70 116.49 1iyg s GLU 14 Ca -0.17 2.23 0.09 0.00 0.36 0.00 0.00 54.97 57.49 1iyg s GLU 14 Cb 0.03 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 1iyg s GLU 14 CO 0.54 -0.32 0.03 -0.48 -0.54 0.00 0.00 175.26 174.49 1iyg s LEU 15 N -0.74 3.05 0.89 2.70 0.05 -1.26 -4.80 118.68 118.57 1iyg s LEU 15 Ca 0.56 -0.91 -0.11 0.00 0.05 0.00 0.00 54.13 53.72 1iyg s LEU 15 Cb -0.40 -1.46 0.13 0.00 -2.05 0.00 0.00 46.19 42.41 1iyg s LEU 15 CO 0.45 -0.22 1.11 0.54 -0.55 0.00 0.00 176.35 177.68 1iyg s VAL 16 N -2.48 2.55 0.03 1.48 0.11 -1.16 -4.91 120.40 116.02 1iyg s VAL 16 Ca 0.35 0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.63 1iyg s VAL 16 Cb -0.01 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 1iyg s VAL 16 CO 0.20 -0.23 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.15 1iyg s SER 17 N -3.01 1.72 0.26 3.54 0.01 -1.26 -4.50 113.70 110.45 1iyg s SER 17 Ca 0.65 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 57.42 1iyg s SER 17 Cb -0.20 -0.13 0.46 0.00 0.21 0.00 0.00 66.02 66.36 1iyg s SER 17 CO 0.58 0.07 1.60 0.58 0.41 0.00 0.00 173.24 176.48 1iyg h VAL 18 N 4.56 0.20 -1.05 3.43 2.07 -1.96 1.34 116.25 124.84 1iyg h VAL 18 Ca -0.38 -0.01 0.32 0.00 0.82 0.00 0.00 66.70 67.45 1iyg h VAL 18 Cb 1.17 0.16 -0.14 0.00 -1.52 0.00 0.00 31.29 30.97 1iyg h VAL 18 CO 0.45 0.01 0.62 -0.08 0.02 0.00 0.00 177.57 178.59 1iyg h GLU 19 N 0.04 0.33 0.00 1.57 4.22 -1.97 1.13 114.58 119.90 1iyg h GLU 19 Ca 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1iyg h GLU 19 Cb 0.77 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1iyg h GLU 19 CO -0.80 0.22 -0.32 -0.44 -2.18 0.00 0.00 179.01 175.48 1iyg h ASP 20 N 0.34 0.00 -0.94 1.04 5.19 0.95 -3.03 116.42 119.98 1iyg h ASP 20 Ca 0.71 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 57.24 1iyg h ASP 20 Cb 1.71 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 41.08 1iyg h ASP 20 CO -0.52 0.57 -0.48 0.25 -3.12 0.00 0.00 179.24 175.94 1iyg h LEU 21 N -0.81 -1.74 -0.75 1.55 7.12 0.87 1.17 115.31 122.71 1iyg h LEU 21 Ca 0.00 0.31 0.07 0.00 0.13 0.00 0.00 57.88 58.39 1iyg h LEU 21 Cb 0.32 0.83 -0.06 0.00 -0.53 0.00 0.00 40.66 41.22 1iyg h LEU 21 CO 0.00 -0.27 0.43 0.07 -0.13 0.00 0.00 178.44 178.54 1iyg h LYS 22 N -0.03 0.76 -0.22 1.25 5.09 0.11 0.95 116.57 124.49 1iyg h LYS 22 Ca 0.25 -0.05 0.04 0.00 0.09 0.00 0.00 60.65 60.98 1iyg h LYS 22 Cb 0.52 -0.17 -0.07 0.00 0.10 0.00 0.00 32.23 32.60 1iyg h LYS 22 CO -0.93 0.50 -0.50 -0.97 -2.09 0.00 0.00 179.45 175.47 1iyg h ASN 23 N 0.79 -1.60 -0.42 7.07 -1.24 0.14 -1.52 115.58 118.80 1iyg h ASN 23 Ca 0.34 0.21 -0.14 0.00 0.71 0.00 0.00 56.30 57.41 1iyg h ASN 23 Cb 0.21 0.64 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 1iyg h ASN 23 CO -0.19 -0.44 -0.27 -0.26 -1.29 0.00 0.00 177.43 174.97 1iyg h PHE 24 N -0.50 1.10 -1.69 0.67 -1.00 -0.37 -2.89 116.94 112.27 1iyg h PHE 24 Ca 0.07 -0.29 0.49 0.00 2.81 0.00 0.00 57.97 61.05 1iyg h PHE 24 Cb 0.64 -0.25 -0.07 0.00 3.61 0.00 0.00 35.95 39.89 1iyg h PHE 24 CO -0.59 1.10 1.26 1.49 -1.61 0.00 0.00 178.31 179.96 1iyg h GLU 25 N 0.81 0.00 0.05 1.51 4.81 0.19 0.86 114.58 122.81 1iyg h GLU 25 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1iyg h GLU 25 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1iyg h GLU 25 CO 0.08 0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 178.33 1iyg h ARG 26 N 0.00 -0.07 -1.00 1.92 3.08 -1.19 -1.89 114.38 115.23 1iyg h ARG 26 Ca 0.80 0.00 0.20 0.00 0.07 0.00 0.00 59.98 61.06 1iyg h ARG 26 Cb 3.31 0.02 -0.19 0.00 0.08 0.00 0.00 29.97 33.19 1iyg h ARG 26 CO -0.01 -0.05 -0.25 -0.22 -1.07 0.00 0.00 179.97 178.37 1iyg h LYS 27 N -0.39 -0.00 0.80 0.04 3.64 -1.09 0.94 116.57 120.51 1iyg h LYS 27 Ca -0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1iyg h LYS 27 Cb 0.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1iyg h LYS 27 CO 0.01 -0.00 -0.40 0.35 -2.27 0.00 0.00 179.45 177.15 1iyg h PHE 28 N -0.00 -1.03 0.07 1.91 3.04 -1.05 0.10 116.94 119.97 1iyg h PHE 28 Ca 0.47 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.41 1iyg h PHE 28 Cb 0.72 0.35 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 1iyg h PHE 28 CO -0.77 -0.63 -0.31 1.96 -2.02 0.00 0.00 178.31 176.54 1iyg h GLN 29 N -1.09 -0.43 -0.75 1.11 4.20 -0.07 0.39 115.11 118.48 1iyg h GLN 29 Ca -0.11 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.75 1iyg h GLN 29 Cb 0.84 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.59 1iyg h GLN 29 CO 0.17 -0.28 -0.39 1.03 -0.67 0.00 0.00 178.83 178.69 1iyg h SER 30 N -0.44 -1.38 -0.73 1.46 0.87 0.74 1.19 113.55 115.27 1iyg h SER 30 Ca -0.00 0.27 0.12 0.00 -1.23 0.00 0.00 61.79 60.94 1iyg h SER 30 Cb 0.45 0.68 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 1iyg h SER 30 CO -0.17 -0.30 0.48 -0.33 -0.53 0.00 0.00 176.83 175.98 1iyg h GLU 31 N -0.11 0.52 0.74 2.24 4.39 -0.26 0.25 114.58 122.34 1iyg h GLU 31 Ca 0.26 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 1iyg h GLU 31 Cb 0.56 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1iyg h GLU 31 CO -0.80 0.34 -0.36 0.37 -1.16 0.00 0.00 179.01 177.40 1iyg h GLN 32 N 0.53 -0.96 0.00 2.33 4.15 0.57 -2.05 115.11 119.69 1iyg h GLN 32 Ca 0.34 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.83 1iyg h GLN 32 Cb 0.62 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1iyg h GLN 32 CO -0.12 -0.62 0.00 0.00 -1.93 0.00 0.00 178.83 176.16 1iyg n ALA 33 N -2.61 1.37 -0.07 3.38 0.00 0.03 -1.61 120.51 121.01 1iyg n ALA 33 Ca -0.13 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1iyg n ALA 33 Cb 0.41 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 2.23 0.38 0.00 0.00 0.00 0.18 -3.47 119.26 118.58 1iyg h ALA 34 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1iyg h ALA 34 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iyg h ALA 34 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1iyg n GLY 35 N 0.43 1.07 3.47 0.00 0.00 -0.63 -5.08 105.19 104.46 1iyg n GLY 35 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1iyg n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iyg s SER 36 N 0.00 -0.04 0.23 1.61 1.04 -1.04 -5.00 113.70 110.50 1iyg s SER 36 Ca 0.00 0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.19 1iyg s SER 36 Cb 0.00 1.03 -0.10 0.00 0.10 0.00 0.00 66.02 67.05 1iyg s SER 36 CO 0.00 -0.01 1.52 -0.69 0.98 0.00 0.00 173.24 175.04 1iyg s VAL 37 N 1.40 2.51 0.62 5.02 1.01 -1.24 -4.66 120.40 125.05 1iyg s VAL 37 Ca -0.05 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 1iyg s VAL 37 Cb -0.02 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1iyg s VAL 37 CO -0.12 0.05 1.08 -0.44 0.00 0.00 0.00 175.10 175.68 1iyg s SER 38 N 0.67 5.49 0.27 3.32 0.01 -1.26 -4.84 113.70 117.36 1iyg s SER 38 Ca 0.64 1.92 -0.01 0.00 1.31 0.00 0.00 55.95 59.81 1iyg s SER 38 Cb -0.44 -2.54 0.47 0.00 0.21 0.00 0.00 66.02 63.72 1iyg s SER 38 CO 0.40 -1.37 1.85 0.07 0.41 0.00 0.00 173.24 174.60 1iyg h LYS 39 N 0.31 1.03 0.57 12.44 2.10 -1.95 0.27 116.57 131.34 1iyg h LYS 39 Ca -0.47 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.09 1iyg h LYS 39 Cb 1.23 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1iyg h LYS 39 CO 0.56 0.68 -0.30 1.03 -2.00 0.00 0.00 179.45 179.42 1iyg h SER 40 N 1.06 -0.75 -0.04 7.07 0.87 -1.99 0.20 113.55 119.97 1iyg h SER 40 Ca 0.46 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 61.07 1iyg h SER 40 Cb 0.33 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1iyg h SER 40 CO -0.22 -0.49 0.18 0.74 -0.53 0.00 0.00 176.83 176.50 1iyg h THR 41 N -0.80 0.10 0.29 2.23 2.02 -1.86 0.12 112.91 115.01 1iyg h THR 41 Ca -0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1iyg h THR 41 Cb 0.63 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1iyg h THR 41 CO 0.11 0.00 -0.14 -0.61 0.37 0.00 0.00 175.52 175.25 1iyg h GLN 42 N 0.00 -0.38 -0.05 6.66 4.15 0.31 -2.71 115.11 123.10 1iyg h GLN 42 Ca 0.02 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1iyg h GLN 42 Cb 0.37 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1iyg h GLN 42 CO -0.00 -0.25 -0.01 0.35 -1.93 0.00 0.00 178.83 176.99 1iyg h PHE 43 N -1.05 0.07 0.00 3.99 3.57 -0.02 -0.68 116.94 122.82 1iyg h PHE 43 Ca -0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1iyg h PHE 43 Cb 0.30 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1iyg h PHE 43 CO 0.00 0.09 0.00 0.39 -2.23 0.00 0.00 178.31 176.56 1iyg n GLU 44 N -4.48 0.00 -0.38 1.11 1.02 0.35 -0.60 120.64 117.66 1iyg n GLU 44 Ca -0.02 0.00 0.30 0.00 -0.02 0.00 0.00 57.16 57.42 1iyg n GLU 44 Cb 0.12 -0.84 0.58 0.00 -0.02 0.00 0.00 31.44 31.29 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 0.61 -0.73 -0.32 3.20 -1.54 1.29 116.97 119.47 1iyg h TYR 45 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1iyg h TYR 45 Cb 0.00 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1iyg h TYR 45 CO 0.00 -0.10 0.30 0.00 -1.64 0.00 0.00 178.16 176.72 1iyg h ALA 46 N 1.63 0.95 -0.39 1.82 0.00 -1.15 -1.24 119.26 120.88 1iyg h ALA 46 Ca 0.72 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1iyg h ALA 46 Cb 2.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1iyg h ALA 46 CO -0.39 0.56 0.12 2.35 0.00 0.00 0.00 179.25 181.89 1iyg h TRP 47 N 1.05 0.57 0.49 0.00 -0.00 0.41 -2.63 115.95 115.82 1iyg h TRP 47 Ca 0.24 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 59.08 1iyg h TRP 47 Cb 0.20 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.16 29.18 1iyg h TRP 47 CO 0.02 0.48 -0.28 0.00 -0.00 0.00 0.00 178.44 178.65 1iyg n LEU 49 N -4.11 -0.64 -3.05 0.00 7.99 -0.83 -0.74 117.00 115.62 1iyg n LEU 49 Ca -0.09 1.55 -0.16 0.00 -0.01 0.00 0.00 56.01 57.30 1iyg n LEU 49 Cb 0.29 -0.33 -0.02 0.00 -0.11 0.00 0.00 43.42 43.26 1iyg n LEU 49 CO 0.21 -1.37 1.95 1.33 -1.51 0.00 0.00 177.39 178.00 1iyg n VAL 50 N -5.27 1.84 0.00 4.08 0.24 -1.01 -1.62 118.33 116.59 1iyg n VAL 50 Ca 0.08 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1iyg n VAL 50 Cb 0.33 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.74 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 4.22 0.00 -1.00 7.34 1.74 0.08 -4.70 116.66 124.34 1iyg n ARG 51 Ca 0.33 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.05 1iyg n ARG 51 Cb 0.13 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.61 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 -0.47 -5.90 0.00 0.55 2.88 -0.64 -3.00 113.62 107.03 1iyg n SER 52 Ca 0.00 0.20 0.07 0.00 -1.33 0.00 0.00 58.87 57.81 1iyg n SER 52 Cb 0.00 -0.76 0.34 0.00 -0.75 0.00 0.00 64.21 63.05 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 2.43 0.09 -3.13 -1.46 -0.00 -1.26 -4.72 118.16 110.12 1iyg n LYS 53 Ca -0.02 0.20 -0.21 0.00 -0.00 0.00 0.00 58.31 58.29 1iyg n LYS 53 Cb 0.55 -1.50 0.06 0.00 -0.00 0.00 0.00 35.03 34.14 1iyg n LYS 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1iyg s TYR 54 N -2.82 1.27 -0.02 5.58 1.51 -1.26 -5.07 117.35 116.53 1iyg s TYR 54 Ca 0.10 -0.78 -0.01 0.00 -1.01 0.00 0.00 57.07 55.38 1iyg s TYR 54 Cb 0.10 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1iyg s TYR 54 CO 0.25 -1.17 -0.02 0.09 -1.11 0.00 0.00 175.55 173.59 1iyg n ASN 55 N -2.24 0.75 -0.63 2.29 3.02 -1.26 -4.42 115.26 112.76 1iyg n ASN 55 Ca 0.15 0.02 0.50 0.00 -0.03 0.00 0.00 54.58 55.21 1iyg n ASN 55 Cb 0.62 -0.06 0.81 0.00 -0.61 0.00 0.00 39.78 40.54 1iyg n ASN 55 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1iyg h GLU 56 N -0.06 0.00 0.05 3.52 4.39 -1.97 1.48 114.58 121.99 1iyg h GLU 56 Ca -0.05 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 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 -0.03 0.00 -0.38 -0.44 -1.16 0.00 0.00 179.01 177.00 1iyg h ASP 57 N 0.00 0.25 -0.84 1.42 3.32 -1.89 -3.31 116.42 115.38 1iyg h ASP 57 Ca 0.87 -0.92 0.19 0.00 0.02 0.00 0.00 57.03 57.19 1iyg h ASP 57 Cb 3.47 -0.08 -0.16 0.00 0.22 0.00 0.00 39.33 42.78 1iyg h ASP 57 CO -0.03 1.14 -0.14 -0.38 -1.72 0.00 0.00 179.24 178.11 1iyg n ILE 58 N -4.39 -0.35 -0.37 0.35 5.41 0.50 0.13 119.36 120.64 1iyg n ILE 58 Ca -0.11 1.90 0.01 0.00 1.00 0.00 0.00 62.75 65.54 1iyg n ILE 58 Cb 0.62 -2.67 0.06 0.00 -0.71 0.00 0.00 39.64 36.94 1iyg n ILE 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1iyg n ARG 59 N -5.32 -0.19 0.02 0.38 1.74 -1.04 -0.97 116.66 111.28 1iyg n ARG 59 Ca 0.15 1.50 -0.06 0.00 -0.77 0.00 0.00 57.85 58.68 1iyg n ARG 59 Cb 0.49 -2.24 -0.04 0.00 -1.02 0.00 0.00 32.46 29.66 1iyg n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iyg h ARG 60 N 0.00 -0.24 -1.16 5.56 -0.00 0.90 0.48 114.38 119.93 1iyg h ARG 60 Ca 0.37 0.02 0.34 0.00 -0.50 0.00 0.00 59.98 60.20 1iyg h ARG 60 Cb 0.61 0.05 -0.05 0.00 0.00 0.00 0.00 29.97 30.59 1iyg h ARG 60 CO -0.98 -0.16 1.21 0.41 0.00 0.00 0.00 179.97 180.45 1iyg n GLY 61 N -1.17 -0.76 0.08 0.04 0.00 -0.15 0.95 105.19 104.18 1iyg n GLY 61 Ca -0.03 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 1iyg n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iyg h ILE 62 N 0.00 0.55 -0.36 -0.61 2.04 -0.03 -2.92 117.51 116.18 1iyg h ILE 62 Ca 0.55 -1.57 0.08 0.00 1.00 0.00 0.00 64.86 64.92 1iyg h ILE 62 Cb 2.96 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 40.15 1iyg h ILE 62 CO -0.01 0.19 -0.25 -0.37 0.00 0.00 0.00 178.15 177.71 1iyg h VAL 63 N -1.00 0.35 0.19 1.67 -1.51 0.51 2.53 116.25 118.99 1iyg h VAL 63 Ca -0.11 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 1iyg h VAL 63 Cb 0.74 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1iyg h VAL 63 CO -0.07 0.00 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.05 1iyg h LEU 64 N -0.20 -0.42 -0.82 4.19 3.38 -0.51 -0.75 115.31 120.18 1iyg h LEU 64 Ca 0.18 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.37 1iyg h LEU 64 Cb 0.48 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 1iyg h LEU 64 CO -0.48 -0.22 0.28 -0.07 0.09 0.00 0.00 178.44 178.05 1iyg h LEU 65 N -0.34 0.16 -2.51 1.67 4.07 -1.27 1.71 115.31 118.81 1iyg h LEU 65 Ca -0.02 0.15 0.01 0.00 0.08 0.00 0.00 57.88 58.09 1iyg h LEU 65 Cb 0.28 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1iyg h LEU 65 CO -0.00 -0.02 0.16 -0.33 -1.08 0.00 0.00 178.44 177.16 1iyg h GLU 66 N 0.34 0.00 0.00 1.13 5.08 0.48 0.76 114.58 122.37 1iyg h GLU 66 Ca 0.49 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.54 1iyg h GLU 66 Cb 0.89 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 1iyg h GLU 66 CO -0.53 0.00 -1.91 0.39 -1.00 0.00 0.00 179.01 175.97 1iyg n GLU 67 N -3.09 0.65 0.14 2.33 1.02 0.56 -4.02 120.64 118.23 1iyg n GLU 67 Ca -0.02 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.36 1iyg n GLU 67 Cb 0.22 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.54 -4.62 3.38 0.14 -3.13 115.31 110.54 1iyg h LEU 68 Ca -0.36 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1iyg h LEU 68 Cb 2.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.76 1iyg h LEU 68 CO 0.06 0.49 -0.41 -0.07 0.09 0.00 0.00 178.44 178.61 1iyg h LEU 69 N 0.00 -1.44 -0.70 1.67 -0.00 0.23 0.41 115.31 115.47 1iyg h LEU 69 Ca -0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1iyg h LEU 69 Cb 1.38 0.62 0.00 0.00 -0.00 0.00 0.00 40.66 42.66 1iyg h LEU 69 CO 0.06 -0.21 0.00 1.55 -0.00 0.00 0.00 178.44 179.84 1iyg h PRO 70 N -0.11 0.00 -1.96 1.13 0.13 -1.79 -3.20 132.00 126.20 1iyg h PRO 70 Ca 0.09 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.48 1iyg h PRO 70 Cb 0.34 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.17 1iyg h PRO 70 CO -0.56 0.00 0.73 1.63 -0.23 0.00 0.00 178.00 179.57 1iyg n LYS 71 N -2.99 3.18 -3.86 0.86 5.02 0.12 -4.95 118.16 115.55 1iyg n LYS 71 Ca 0.02 -3.84 -0.08 0.00 -2.02 0.00 0.00 58.31 52.39 1iyg n LYS 71 Cb 0.40 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 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 -1.57 0.09 0.00 0.72 0.00 0.17 -4.72 107.32 102.01 1iyg s GLY 72 Ca 0.50 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1iyg s GLY 72 CO -0.34 -0.29 0.00 -1.26 0.00 0.00 0.00 173.10 171.21 1iyg n SER 73 N -0.40 -0.58 0.01 1.64 2.88 -1.26 -4.85 113.62 111.06 1iyg n SER 73 Ca -0.05 -0.69 -0.02 0.00 -1.33 0.00 0.00 58.87 56.78 1iyg n SER 73 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1iyg n SER 73 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1iyg h LYS 74 N 0.00 -0.12 0.00 -1.46 1.57 -2.00 -2.80 116.57 111.76 1iyg h LYS 74 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1iyg h LYS 74 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1iyg h LYS 74 CO 0.00 -0.08 0.00 1.05 -0.57 0.00 0.00 179.45 179.85 1iyg h GLU 75 N -0.83 0.00 0.01 3.15 4.11 -2.01 0.22 114.58 119.23 1iyg h GLU 75 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.22 1iyg h GLU 75 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1iyg h GLU 75 CO 0.02 0.00 -0.90 0.93 0.07 0.00 0.00 179.01 179.13 1iyg h GLU 76 N 0.00 0.10 0.00 1.06 5.08 -1.93 -3.06 114.58 115.83 1iyg h GLU 76 Ca 0.00 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1iyg h GLU 76 Cb 0.06 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1iyg h GLU 76 CO 0.00 0.93 -0.11 1.96 -1.00 0.00 0.00 179.01 180.79 1iyg h GLN 77 N 0.05 0.00 -0.35 2.33 4.20 -0.66 -2.55 115.11 118.12 1iyg h GLN 77 Ca -0.03 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1iyg h GLN 77 Cb 1.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 1iyg h GLN 77 CO 0.13 0.11 -0.22 0.00 -0.67 0.00 0.00 178.83 178.19 1iyg h ARG 78 N 0.00 0.76 0.00 1.46 -0.00 -1.47 -1.79 114.38 113.34 1iyg h ARG 78 Ca -0.00 -0.35 -0.08 0.00 -0.50 0.00 0.00 59.98 59.05 1iyg h ARG 78 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.49 1iyg h ARG 78 CO 0.01 0.97 -0.38 -0.44 0.00 0.00 0.00 179.97 180.13 1iyg h ASP 79 N 0.54 0.00 0.00 7.04 5.19 -1.56 -2.87 116.42 124.76 1iyg h ASP 79 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1iyg h ASP 79 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1iyg h ASP 79 CO 0.06 0.38 0.00 -1.22 -3.12 0.00 0.00 179.24 175.34 1iyg n TYR 80 N -3.65 0.00 -0.30 4.55 4.01 -0.99 -3.16 117.16 117.62 1iyg n TYR 80 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.79 1iyg n TYR 80 Cb 0.48 -0.19 0.14 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.06 -0.35 -0.33 -0.72 0.31 -0.70 0.28 118.33 115.75 1iyg n VAL 81 Ca 0.00 1.92 0.26 0.00 -0.01 0.00 0.00 64.34 66.51 1iyg n VAL 81 Cb 0.00 -2.68 0.50 0.00 -0.91 0.00 0.00 33.84 30.75 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 0.91 0.05 3.52 3.57 -1.60 0.95 116.94 124.34 1iyg h PHE 82 Ca 0.42 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.85 1iyg h PHE 82 Cb 0.68 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1iyg h PHE 82 CO -0.62 -0.24 -0.55 1.88 -2.23 0.00 0.00 178.31 176.55 1iyg h TYR 83 N 0.26 0.20 -0.95 0.41 -1.99 0.40 -2.98 116.97 112.32 1iyg h TYR 83 Ca 0.76 -0.15 0.29 0.00 2.00 0.00 0.00 58.73 61.64 1iyg h TYR 83 Cb 1.80 -0.01 -0.15 0.00 2.00 0.00 0.00 36.73 40.36 1iyg h TYR 83 CO -0.01 1.21 0.37 -0.07 -0.00 0.00 0.00 178.16 179.66 1iyg h LEU 84 N -0.74 0.17 -0.06 3.88 4.07 0.78 0.71 115.31 124.11 1iyg h LEU 84 Ca -0.12 0.21 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1iyg h LEU 84 Cb 1.31 0.25 -0.00 0.00 1.08 0.00 0.00 40.66 43.29 1iyg h LEU 84 CO 0.02 -0.21 -0.05 0.00 -1.08 0.00 0.00 178.44 177.12 1iyg h ALA 85 N 1.86 0.09 -0.25 1.53 0.00 -1.02 0.20 119.26 121.67 1iyg h ALA 85 Ca 0.66 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1iyg h ALA 85 Cb 1.47 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1iyg h ALA 85 CO -0.69 -0.12 -0.30 0.28 0.00 0.00 0.00 179.25 178.42 1iyg h VAL 86 N -0.28 0.30 0.19 0.00 2.07 0.31 1.47 116.25 120.30 1iyg h VAL 86 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1iyg h VAL 86 Cb 0.54 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1iyg h VAL 86 CO 0.01 0.00 -0.09 1.23 0.02 0.00 0.00 177.57 178.74 1iyg h GLY 87 N -0.31 -0.27 0.31 2.17 0.00 -0.08 -2.25 103.07 102.64 1iyg h GLY 87 Ca 0.13 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1iyg h GLY 87 CO -0.42 -0.10 -0.25 3.43 0.00 0.00 0.00 176.54 179.20 1iyg h ASN 88 N -0.40 -0.77 -0.79 0.19 2.35 -0.04 -1.25 115.58 114.88 1iyg h ASN 88 Ca -0.03 0.12 0.19 0.00 -0.55 0.00 0.00 56.30 56.03 1iyg h ASN 88 Cb 0.31 0.33 -0.13 0.00 0.05 0.00 0.00 38.32 38.88 1iyg h ASN 88 CO 0.04 -0.30 0.11 0.22 -1.65 0.00 0.00 177.43 175.85 1iyg h TYR 89 N -0.33 0.14 -0.73 1.19 3.20 0.21 0.87 116.97 121.51 1iyg h TYR 89 Ca 0.09 0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.17 1iyg h TYR 89 Cb 0.47 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1iyg h TYR 89 CO -0.34 -0.20 0.49 -0.09 -1.64 0.00 0.00 178.16 176.39 1iyg h ARG 90 N 0.17 0.34 -0.21 1.82 1.12 -0.61 1.34 114.38 118.35 1iyg h ARG 90 Ca 0.45 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.30 1iyg h ARG 90 Cb 0.83 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.72 1iyg h ARG 90 CO -0.63 0.23 0.00 1.28 -3.11 0.00 0.00 179.97 177.74 1iyg n LEU 91 N -4.46 1.17 0.00 3.80 4.32 0.29 -4.83 117.00 117.29 1iyg n LEU 91 Ca 0.14 -0.58 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 1iyg n LEU 91 Cb 0.55 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1iyg n LEU 91 CO 0.33 0.29 0.00 0.29 -1.22 0.00 0.00 177.39 177.08 1iyg n LYS 92 N 0.12 -1.01 -0.97 3.23 4.01 0.46 -4.85 118.16 119.16 1iyg n LYS 92 Ca 0.08 0.25 -0.21 0.00 -0.51 0.00 0.00 58.31 57.93 1iyg n LYS 92 Cb 0.19 -4.07 -0.09 0.00 -0.51 0.00 0.00 35.03 30.55 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1iyg n GLU 93 N -0.88 2.35 -0.23 1.97 -0.58 -0.51 -4.61 120.64 118.16 1iyg n GLU 93 Ca 0.00 -1.34 0.03 0.00 -0.42 0.00 0.00 57.16 55.42 1iyg n GLU 93 Cb 0.25 -2.27 0.12 0.00 -0.57 0.00 0.00 31.44 28.98 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 4.37 -0.06 0.00 -0.32 0.05 -1.84 0.94 116.97 120.11 1iyg h TYR 94 Ca 0.43 0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.26 1iyg h TYR 94 Cb 0.81 0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1iyg h TYR 94 CO 1.78 -0.20 0.00 0.39 -1.05 0.00 0.00 178.16 179.08 1iyg n GLU 95 N -5.32 0.00 -0.09 4.88 -0.58 -1.26 0.11 120.64 118.39 1iyg n GLU 95 Ca 0.11 0.80 -0.06 0.00 -0.42 0.00 0.00 57.16 57.59 1iyg n GLU 95 Cb 0.40 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1iyg n GLU 95 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1iyg h LYS 96 N 0.00 -0.10 -0.02 3.49 1.57 -1.88 0.14 116.57 119.78 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 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1iyg h LYS 96 CO 0.00 -0.06 -0.02 0.00 -0.57 0.00 0.00 179.45 178.80 1iyg h ALA 97 N 1.16 -0.16 -0.14 3.86 0.00 0.25 0.32 119.26 124.54 1iyg h ALA 97 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1iyg h ALA 97 Cb 0.36 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1iyg h ALA 97 CO -0.40 -0.17 -0.44 -0.07 0.00 0.00 0.00 179.25 178.17 1iyg h LEU 98 N -0.01 -1.40 -1.52 0.00 3.38 0.12 1.64 115.31 117.53 1iyg h LEU 98 Ca 0.00 0.17 0.47 0.00 0.09 0.00 0.00 57.88 58.62 1iyg h LEU 98 Cb 0.01 0.55 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1iyg h LEU 98 CO -0.02 -0.38 1.05 1.17 0.09 0.00 0.00 178.44 180.35 1iyg n LYS 99 N -4.85 -0.02 -0.00 1.13 4.81 0.46 0.24 118.16 119.94 1iyg n LYS 99 Ca -0.05 1.05 -0.22 0.00 -0.87 0.00 0.00 58.31 58.23 1iyg n LYS 99 Cb 0.30 -2.23 -0.14 0.00 0.02 0.00 0.00 35.03 32.98 1iyg n LYS 99 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1iyg n TYR 100 N -4.10 1.27 0.07 5.64 4.01 0.18 -3.22 117.16 121.01 1iyg n TYR 100 Ca 0.38 0.29 -0.13 0.00 -0.16 0.00 0.00 57.90 58.28 1iyg n TYR 100 Cb 1.62 -1.16 -0.09 0.00 -0.31 0.00 0.00 39.34 39.40 1iyg n TYR 100 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg h VAL 101 N -0.02 1.00 -0.25 -0.72 2.07 1.39 0.32 116.25 120.04 1iyg h VAL 101 Ca -0.42 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1iyg h VAL 101 Cb 1.98 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1iyg h VAL 101 CO 0.07 0.16 0.18 0.03 0.02 0.00 0.00 177.57 178.03 1iyg h ARG 102 N -0.53 0.06 0.00 1.57 2.47 0.29 0.49 114.38 118.72 1iyg h ARG 102 Ca -0.02 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1iyg h ARG 102 Cb 0.42 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1iyg h ARG 102 CO 0.03 0.04 -0.26 0.41 0.56 0.00 0.00 179.97 180.75 1iyg n GLY 103 N -1.57 -1.49 0.13 0.04 0.00 -1.06 -3.42 105.19 97.81 1iyg n GLY 103 Ca 0.03 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.88 2.30 -0.01 0.99 -0.00 0.12 -4.08 117.00 114.45 1iyg n LEU 104 Ca 0.05 0.26 0.21 0.00 -0.00 0.00 0.00 56.01 56.53 1iyg n LEU 104 Cb 0.39 -0.99 0.70 0.00 -0.00 0.00 0.00 43.42 43.52 1iyg n LEU 104 CO 0.32 0.62 1.19 -0.07 -0.00 0.00 0.00 177.39 179.44 1iyg h LEU 105 N -0.50 0.00 -0.11 -1.96 -0.00 -0.37 0.95 115.31 113.32 1iyg h LEU 105 Ca -0.47 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.46 1iyg h LEU 105 Cb 1.69 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.29 1iyg h LEU 105 CO -0.13 0.00 -0.31 1.56 -0.00 0.00 0.00 178.44 179.56 1iyg h GLN 106 N 0.00 -0.38 -0.00 1.13 1.08 -1.70 1.58 115.11 116.82 1iyg h GLN 106 Ca 0.26 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1iyg h GLN 106 Cb 1.06 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1iyg h GLN 106 CO -0.00 -0.26 -0.20 -2.37 -0.95 0.00 0.00 178.83 175.05 1iyg n THR 107 N -5.41 0.00 -3.15 -0.54 5.66 -0.49 -4.16 114.28 106.19 1iyg n THR 107 Ca -0.03 -0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.74 1iyg n THR 107 Cb 0.32 -0.12 -0.04 0.00 -1.55 0.00 0.00 70.33 68.94 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 -1.33 0.82 0.19 1.09 -0.58 0.21 -4.92 120.64 116.12 1iyg n GLU 108 Ca 0.09 -3.16 0.07 0.00 -0.42 0.00 0.00 57.16 53.74 1iyg n GLU 108 Cb 0.32 -1.40 0.28 0.00 -0.57 0.00 0.00 31.44 30.07 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 3.60 0.00 0.13 3.49 0.13 0.20 -3.13 132.00 136.43 1iyg h PRO 109 Ca 0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.91 1iyg h PRO 109 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1iyg h PRO 109 CO 0.46 0.32 -1.32 -0.56 -0.23 0.00 0.00 178.00 176.67 1iyg h GLN 110 N 0.00 0.28 -6.18 0.86 3.07 -1.91 -3.46 115.11 107.78 1iyg h GLN 110 Ca -0.00 -0.49 -0.71 0.00 0.09 0.00 0.00 58.65 57.54 1iyg h GLN 110 Cb 1.00 0.18 0.02 0.00 0.08 0.00 0.00 27.48 28.75 1iyg h GLN 110 CO 0.04 1.21 0.91 -1.71 0.09 0.00 0.00 178.83 179.38 1iyg n ASN 111 N -3.53 2.54 -0.01 0.06 2.85 -1.18 -4.86 115.26 111.15 1iyg n ASN 111 Ca -0.11 1.06 -0.11 0.00 -0.11 0.00 0.00 54.58 55.31 1iyg n ASN 111 Cb 1.03 -1.19 -0.09 0.00 1.24 0.00 0.00 39.78 40.78 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 7.42 -0.08 -0.94 1.20 2.35 -1.88 -2.63 115.58 121.02 1iyg h ASN 112 Ca -0.47 -0.55 0.22 0.00 -0.55 0.00 0.00 56.30 54.95 1iyg h ASN 112 Cb 1.31 0.02 -0.17 0.00 0.05 0.00 0.00 38.32 39.53 1iyg h ASN 112 CO 0.95 0.60 -0.08 1.56 -1.65 0.00 0.00 177.43 178.81 1iyg h GLN 113 N -0.84 0.02 -0.65 0.81 4.20 -1.92 1.70 115.11 118.44 1iyg h GLN 113 Ca -0.01 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1iyg h GLN 113 Cb 0.62 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1iyg h GLN 113 CO 0.01 0.01 0.07 0.00 -0.67 0.00 0.00 178.83 178.26 1iyg h ALA 114 N 1.93 0.90 0.64 3.87 0.00 -1.90 -1.70 119.26 122.99 1iyg h ALA 114 Ca 0.52 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1iyg h ALA 114 Cb 0.95 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1iyg h ALA 114 CO -0.91 0.67 -0.31 0.87 0.00 0.00 0.00 179.25 179.57 1iyg h LYS 115 N 1.01 -0.83 -0.22 0.00 1.57 0.25 -1.92 116.57 116.43 1iyg h LYS 115 Ca 0.19 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1iyg h LYS 115 Cb 0.48 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 1iyg h LYS 115 CO 0.02 -0.52 -0.53 0.93 -0.57 0.00 0.00 179.45 178.77 1iyg h GLU 116 N -0.95 -0.49 -0.61 3.15 5.08 0.86 -0.92 114.58 120.71 1iyg h GLU 116 Ca -0.09 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1iyg h GLU 116 Cb 0.69 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 1iyg h GLU 116 CO 0.14 -0.32 -0.47 1.25 -1.00 0.00 0.00 179.01 178.61 1iyg h LEU 117 N -0.50 -1.66 -1.16 1.33 5.85 -1.29 1.56 115.31 119.44 1iyg h LEU 117 Ca 0.04 0.24 0.36 0.00 0.84 0.00 0.00 57.88 59.37 1iyg h LEU 117 Cb 0.63 0.71 -0.14 0.00 0.37 0.00 0.00 40.66 42.23 1iyg h LEU 117 CO -0.48 -0.25 0.66 -0.08 -0.34 0.00 0.00 178.44 177.96 1iyg h GLU 118 N -0.13 0.21 0.09 1.25 4.22 -0.58 1.14 114.58 120.76 1iyg h GLU 118 Ca 0.10 -0.01 -0.28 0.00 0.08 0.00 0.00 59.36 59.25 1iyg h GLU 118 Cb 0.39 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.62 1iyg h GLU 118 CO -0.64 0.14 -1.17 0.00 -2.18 0.00 0.00 179.01 175.16 1iyg h ARG 119 N 0.22 0.53 0.32 1.92 3.08 0.23 -2.47 114.38 118.21 1iyg h ARG 119 Ca 0.76 -0.69 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1iyg h ARG 119 Cb 2.00 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 32.26 1iyg h ARG 119 CO -0.54 1.29 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.30 1iyg h LEU 120 N 0.25 -0.73 -0.35 3.04 3.38 1.03 -1.59 115.31 120.33 1iyg h LEU 120 Ca -0.15 0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1iyg h LEU 120 Cb 1.83 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.79 1iyg h LEU 120 CO 0.21 -0.41 0.14 0.40 0.09 0.00 0.00 178.44 178.87 1iyg h ILE 121 N -0.61 0.92 -1.13 1.22 2.04 -0.74 0.39 117.51 119.60 1iyg h ILE 121 Ca -0.02 -0.10 0.32 0.00 1.00 0.00 0.00 64.86 66.06 1iyg h ILE 121 Cb 0.54 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 1iyg h ILE 121 CO -0.03 0.05 0.73 -0.78 0.00 0.00 0.00 178.15 178.12 1iyg h ASP 122 N 0.29 0.36 0.00 1.72 1.82 -1.00 0.18 116.42 119.79 1iyg h ASP 122 Ca 0.16 0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1iyg h ASP 122 Cb 0.12 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1iyg h ASP 122 CO -0.15 -0.01 -0.22 0.11 -1.61 0.00 0.00 179.24 177.36 1iyg h LYS 123 N 0.28 0.00 -0.99 0.28 1.57 -0.04 -3.27 116.57 114.40 1iyg h LYS 123 Ca 0.67 -0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.80 1iyg h LYS 123 Cb 1.89 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 34.03 1iyg h LYS 123 CO -0.33 1.00 0.50 0.00 -0.57 0.00 0.00 179.45 180.06 1iyg h ALA 124 N -0.08 1.97 0.81 3.86 0.00 0.24 0.12 119.26 126.17 1iyg h ALA 124 Ca -0.06 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1iyg h ALA 124 Cb 1.06 0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1iyg h ALA 124 CO -0.03 -0.75 -0.39 0.52 0.00 0.00 0.00 179.25 178.59 1iyg h MET 125 N 0.15 -1.05 -2.79 0.00 2.86 -0.90 -3.03 114.93 110.17 1iyg h MET 125 Ca 0.77 0.07 -0.43 0.00 -2.06 0.00 0.00 59.70 58.06 1iyg h MET 125 Cb 1.89 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 33.78 1iyg h MET 125 CO -0.71 -0.70 2.13 1.63 1.06 0.00 0.00 176.91 180.32 1iyg n LYS 126 N -4.96 2.65 0.11 1.72 4.01 0.39 -3.31 118.16 118.78 1iyg n LYS 126 Ca -0.14 -1.56 0.00 0.00 -0.51 0.00 0.00 58.31 56.10 1iyg n LYS 126 Cb 0.43 -2.41 0.00 0.00 -0.51 0.00 0.00 35.03 32.54 1iyg n LYS 126 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1iyg n LYS 127 N 3.35 0.00 -3.53 1.97 5.02 -1.15 -4.96 118.16 118.87 1iyg n LYS 127 Ca 0.57 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1iyg n LYS 127 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 1iyg n LYS 127 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1iyg s SER 128 N -4.18 -0.76 0.23 4.39 0.01 -1.20 -5.13 113.70 107.05 1iyg s SER 128 Ca 0.00 1.08 -0.23 0.00 1.31 0.00 0.00 55.95 58.11 1iyg s SER 128 Cb 0.00 1.76 0.04 0.00 0.21 0.00 0.00 66.02 68.03 1iyg s SER 128 CO 0.00 -0.15 0.82 -0.83 0.41 0.00 0.00 173.24 173.48 1iyg s GLY 129 N 2.35 -0.15 0.30 3.44 0.00 -1.26 -4.83 107.32 107.17 1iyg s GLY 129 Ca -0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 1iyg s GLY 129 CO -0.18 -0.05 1.07 2.56 0.00 0.00 0.00 173.10 176.50 1iyg s PRO 130 N -3.66 4.59 0.02 2.90 0.04 -1.26 -4.99 135.00 132.64 1iyg s PRO 130 Ca 0.12 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1iyg s PRO 130 Cb -0.04 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1iyg s PRO 130 CO 0.05 0.19 1.30 -1.12 0.04 0.00 0.00 177.00 177.45 1iyg s SER 131 N -1.02 6.96 -0.06 6.66 0.01 -1.26 -5.00 113.70 119.98 1iyg s SER 131 Ca 0.46 2.05 -0.22 0.00 1.31 0.00 0.00 55.95 59.56 1iyg s SER 131 Cb -0.30 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.41 1iyg s SER 131 CO 0.38 -0.61 0.49 -0.44 0.41 0.00 0.00 173.24 173.48 1iyg s SER 132 N 1.44 -0.44 0.00 2.44 0.01 -1.26 -5.36 113.70 110.53 1iyg s SER 132 Ca 0.61 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1iyg s SER 132 Cb -0.30 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1iyg s SER 132 CO 0.27 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.07