#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 0.00 0.00 1.61 2.88 -1.26 -5.06 113.62 111.79 1iyg n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iyg n SER 2 Cb 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1iyg n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iyg n SER 3 N -2.28 0.00 0.00 -3.46 7.64 -1.26 -4.77 113.62 109.49 1iyg n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1iyg n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1iyg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyg n GLY 4 N 0.00 -0.07 3.74 0.23 0.00 -1.26 -5.13 105.19 102.71 1iyg n GLY 4 Ca 0.00 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.00 4.22 0.61 1.61 0.15 -1.26 -4.80 113.70 110.22 1iyg s SER 5 Ca 0.00 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1iyg s SER 5 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1iyg s SER 5 CO 0.00 -2.23 0.00 -0.24 1.20 0.00 0.00 173.24 171.97 1iyg n SER 6 N -3.42 -7.63 0.00 5.45 2.88 -1.26 -5.07 113.62 104.58 1iyg n SER 6 Ca 0.10 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 59.06 1iyg n SER 6 Cb 0.52 -4.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 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 -4.33 -1.99 1.62 0.46 0.00 -1.26 -5.01 105.19 94.67 1iyg n GLY 7 Ca -0.09 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 0.16 1.61 1.56 -1.26 -4.46 117.12 114.73 1iyg n MET 8 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.54 1iyg n MET 8 Cb 0.00 -0.20 0.59 0.00 2.15 0.00 0.00 33.22 35.77 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 0.14 -0.09 2.12 2.13 -1.26 -0.81 120.64 119.52 1iyg n GLU 9 Ca 0.00 0.64 -0.22 0.00 0.66 0.00 0.00 57.16 58.24 1iyg n GLU 9 Cb 0.04 -1.97 -0.12 0.00 0.27 0.00 0.00 31.44 29.66 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 -1.78 1.12 -0.22 4.31 0.00 -1.26 -2.84 120.51 119.84 1iyg n ALA 10 Ca -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 53.44 52.53 1iyg n ALA 10 Cb 0.04 -0.29 0.07 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 -0.36 1.04 -0.24 0.00 2.07 -1.47 0.19 116.25 117.47 1iyg h VAL 11 Ca -0.53 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 66.57 1iyg h VAL 11 Cb 1.78 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1iyg h VAL 11 CO -0.13 0.13 -0.53 0.25 0.02 0.00 0.00 177.57 177.31 1iyg h LEU 12 N 0.73 0.89 0.00 2.57 5.85 -1.17 -3.37 115.31 120.81 1iyg h LEU 12 Ca 0.26 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1iyg h LEU 12 Cb 0.07 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1iyg h LEU 12 CO -0.13 1.28 0.00 0.59 -0.34 0.00 0.00 178.44 179.84 1iyg n ASN 13 N -4.07 0.00 -4.27 1.25 5.03 -0.77 -4.75 115.26 107.67 1iyg n ASN 13 Ca -0.05 0.32 -0.38 0.00 0.87 0.00 0.00 54.58 55.34 1iyg n ASN 13 Cb 0.62 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.40 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 -0.32 0.11 -4.70 3.52 0.00 0.60 -4.99 120.64 114.85 1iyg n GLU 14 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 57.16 56.90 1iyg n GLU 14 Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 31.44 30.15 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1iyg s LEU 15 N 4.20 2.45 0.50 4.31 0.05 -1.26 -4.82 118.68 124.11 1iyg s LEU 15 Ca 0.57 -1.57 -0.18 0.00 0.05 0.00 0.00 54.13 53.00 1iyg s LEU 15 Cb -0.42 -0.75 -0.08 0.00 -2.05 0.00 0.00 46.19 42.90 1iyg s LEU 15 CO 0.66 -0.73 0.99 0.54 -0.55 0.00 0.00 176.35 177.26 1iyg s VAL 16 N -2.85 4.30 -0.12 1.48 0.11 -1.04 -4.89 120.40 117.38 1iyg s VAL 16 Ca 0.16 1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 60.40 1iyg s VAL 16 Cb 0.04 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 1iyg s VAL 16 CO 0.08 -0.52 -0.04 -0.44 -3.33 0.00 0.00 175.10 170.85 1iyg s SER 17 N -2.69 4.83 0.35 3.54 0.01 -1.26 -4.27 113.70 114.22 1iyg s SER 17 Ca 0.61 -0.04 0.16 0.00 1.31 0.00 0.00 55.95 57.99 1iyg s SER 17 Cb -0.11 -1.54 1.11 0.00 0.21 0.00 0.00 66.02 65.68 1iyg s SER 17 CO 0.27 0.27 1.67 0.58 0.41 0.00 0.00 173.24 176.44 1iyg h VAL 18 N 4.69 0.32 -0.09 3.43 2.07 -1.97 0.57 116.25 125.27 1iyg h VAL 18 Ca -0.40 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1iyg h VAL 18 Cb 1.19 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1iyg h VAL 18 CO 0.58 0.06 -0.15 -0.33 0.02 0.00 0.00 177.57 177.76 1iyg h GLU 19 N 0.33 -0.19 0.35 1.57 3.07 -1.98 0.92 114.58 118.65 1iyg h GLU 19 Ca 0.72 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.58 1iyg h GLU 19 Cb 1.71 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.67 1iyg h GLU 19 CO -0.55 -0.13 -0.17 -0.44 -1.40 0.00 0.00 179.01 176.33 1iyg h ASP 20 N -0.20 -0.40 -0.98 1.42 3.32 -0.47 -0.16 116.42 118.96 1iyg h ASP 20 Ca 0.08 -0.15 0.23 0.00 0.02 0.00 0.00 57.03 57.22 1iyg h ASP 20 Cb 0.31 0.10 -0.12 0.00 0.22 0.00 0.00 39.33 39.84 1iyg h ASP 20 CO -0.21 -0.04 0.56 0.25 -1.72 0.00 0.00 179.24 178.08 1iyg h LEU 21 N -0.78 0.63 -0.13 1.55 7.12 -0.31 0.74 115.31 124.13 1iyg h LEU 21 Ca -0.05 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 1iyg h LEU 21 Cb 0.52 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1iyg h LEU 21 CO 0.08 0.11 0.02 0.11 -0.13 0.00 0.00 178.44 178.62 1iyg h LYS 22 N 0.57 0.22 0.26 1.25 1.79 0.11 1.13 116.57 121.90 1iyg h LYS 22 Ca 0.62 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 59.03 1iyg h LYS 22 Cb 1.15 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1iyg h LYS 22 CO -0.47 0.42 -0.21 -0.91 -1.08 0.00 0.00 179.45 177.20 1iyg h ASN 23 N -0.01 -0.54 0.61 0.86 4.21 0.14 0.49 115.58 121.34 1iyg h ASN 23 Ca 0.04 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.56 1iyg h ASN 23 Cb 0.31 0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1iyg h ASN 23 CO 0.00 -0.32 -0.15 -0.26 -1.29 0.00 0.00 177.43 175.41 1iyg h PHE 24 N -0.48 0.00 -0.05 1.19 -1.00 0.33 -2.69 116.94 114.25 1iyg h PHE 24 Ca -0.01 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.68 1iyg h PHE 24 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1iyg h PHE 24 CO -0.13 0.15 -0.31 1.49 -1.61 0.00 0.00 178.31 177.90 1iyg h GLU 25 N 0.00 0.30 -0.90 1.51 4.81 0.23 -2.49 114.58 118.04 1iyg h GLU 25 Ca -0.00 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1iyg h GLU 25 Cb 0.50 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1iyg h GLU 25 CO 0.02 0.91 0.59 -0.09 -0.73 0.00 0.00 179.01 179.71 1iyg h ARG 26 N -0.24 1.04 0.45 1.92 2.43 0.17 -0.69 114.38 119.47 1iyg h ARG 26 Ca -0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1iyg h ARG 26 Cb 0.98 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1iyg h ARG 26 CO 0.06 0.69 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.78 1iyg h LYS 27 N 1.07 -0.58 -0.11 0.20 3.64 -1.49 0.69 116.57 119.99 1iyg h LYS 27 Ca 0.38 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.83 1iyg h LYS 27 Cb 0.12 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1iyg h LYS 27 CO -0.13 -0.31 -0.45 0.35 -2.27 0.00 0.00 179.45 176.64 1iyg h PHE 28 N -0.77 -1.30 0.12 1.91 3.57 -0.98 0.69 116.94 120.18 1iyg h PHE 28 Ca -0.06 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1iyg h PHE 28 Cb 0.54 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1iyg h PHE 28 CO -0.01 -0.50 -0.13 1.96 -2.23 0.00 0.00 178.31 177.40 1iyg h GLN 29 N -0.53 -0.25 -0.78 1.11 4.20 -1.13 0.17 115.11 117.90 1iyg h GLN 29 Ca 0.06 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.90 1iyg h GLN 29 Cb 0.65 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.36 1iyg h GLN 29 CO -0.40 -0.17 -0.45 1.03 -0.67 0.00 0.00 178.83 178.18 1iyg h SER 30 N -0.26 -1.59 -1.02 1.46 0.87 -0.72 1.36 113.55 113.65 1iyg h SER 30 Ca -0.02 0.28 0.26 0.00 -1.23 0.00 0.00 61.79 61.08 1iyg h SER 30 Cb 0.23 0.75 -0.08 0.00 -0.44 0.00 0.00 62.40 62.86 1iyg h SER 30 CO -0.02 -0.30 0.67 -0.33 -0.53 0.00 0.00 176.83 176.32 1iyg h GLU 31 N -0.12 0.31 0.83 2.24 4.39 0.58 0.59 114.58 123.40 1iyg h GLU 31 Ca 0.23 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 1iyg h GLU 31 Cb 0.55 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1iyg h GLU 31 CO -0.82 0.20 -0.40 0.37 -1.16 0.00 0.00 179.01 177.20 1iyg h GLN 32 N 0.32 -1.07 0.00 2.33 4.15 0.39 -2.23 115.11 119.00 1iyg h GLN 32 Ca 0.55 0.07 0.00 0.00 0.77 0.00 0.00 58.65 60.04 1iyg h GLN 32 Cb 1.54 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.47 1iyg h GLN 32 CO -0.21 -0.71 0.00 0.00 -1.93 0.00 0.00 178.83 175.98 1iyg n ALA 33 N -2.68 1.43 0.03 3.38 0.00 -0.43 -1.46 120.51 120.79 1iyg n ALA 33 Ca -0.14 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1iyg n ALA 33 Cb 0.44 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 2.28 0.77 0.00 0.00 0.00 0.70 -3.47 119.26 119.54 1iyg h ALA 34 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1iyg h ALA 34 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iyg h ALA 34 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1iyg n GLY 35 N 0.23 1.04 0.00 0.00 0.00 -0.53 -5.07 105.19 100.86 1iyg n GLY 35 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.72 1.61 7.64 -0.96 -5.00 113.62 112.20 1iyg n SER 36 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1iyg n SER 36 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.00 3.15 0.41 0.44 1.01 -1.24 -4.63 120.40 119.54 1iyg s VAL 37 Ca 0.00 0.84 -0.23 0.00 0.00 0.00 0.00 61.98 62.59 1iyg s VAL 37 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1iyg s VAL 37 CO 0.00 0.07 0.97 -0.44 0.00 0.00 0.00 175.10 175.70 1iyg s SER 38 N 1.04 6.94 0.18 3.32 0.01 -1.26 -4.86 113.70 119.06 1iyg s SER 38 Ca 0.65 1.81 -0.22 0.00 1.31 0.00 0.00 55.95 59.50 1iyg s SER 38 Cb -0.38 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.39 1iyg s SER 38 CO 0.31 -0.36 1.59 0.11 0.41 0.00 0.00 173.24 175.30 1iyg h LYS 39 N 2.27 -0.19 -0.56 12.44 1.57 -1.98 0.15 116.57 130.27 1iyg h LYS 39 Ca -0.48 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1iyg h LYS 39 Cb 1.19 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.48 1iyg h LYS 39 CO 0.62 -0.12 -0.33 0.43 -0.57 0.00 0.00 179.45 179.47 1iyg n SER 40 N -5.43 -0.60 -0.32 0.86 7.64 -1.26 0.68 113.62 115.20 1iyg n SER 40 Ca 0.03 1.41 0.05 0.00 1.01 0.00 0.00 58.87 61.37 1iyg n SER 40 Cb 0.35 -0.34 0.20 0.00 -1.01 0.00 0.00 64.21 63.41 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 0.90 0.18 0.44 2.02 -1.65 0.95 112.91 115.74 1iyg h THR 41 Ca 0.09 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1iyg h THR 41 Cb 0.23 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1iyg h THR 41 CO -0.53 0.16 -0.20 -0.61 0.37 0.00 0.00 175.52 174.70 1iyg h GLN 42 N 0.86 -0.37 -0.86 6.66 4.15 0.30 0.52 115.11 126.37 1iyg h GLN 42 Ca 0.44 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.88 1iyg h GLN 42 Cb 0.43 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1iyg h GLN 42 CO -0.26 -0.25 0.52 0.35 -1.93 0.00 0.00 178.83 177.26 1iyg h PHE 43 N -0.39 1.13 0.00 3.99 3.57 0.13 -0.41 116.94 124.95 1iyg h PHE 43 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1iyg h PHE 43 Cb 0.34 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1iyg h PHE 43 CO -0.17 0.75 0.00 0.39 -2.23 0.00 0.00 178.31 177.05 1iyg n GLU 44 N -4.43 0.00 -0.23 1.11 -0.58 0.33 0.38 120.64 117.22 1iyg n GLU 44 Ca 0.09 0.58 0.27 0.00 -0.42 0.00 0.00 57.16 57.67 1iyg n GLU 44 Cb 0.05 -1.48 0.66 0.00 -0.57 0.00 0.00 31.44 30.10 1iyg n GLU 44 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1iyg h TYR 45 N 0.00 0.19 -0.44 -0.32 3.20 0.03 0.52 116.97 120.15 1iyg h TYR 45 Ca 0.00 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 1iyg h TYR 45 Cb 0.00 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1iyg h TYR 45 CO 0.00 0.04 -0.18 0.00 -1.64 0.00 0.00 178.16 176.37 1iyg h ALA 46 N 1.55 0.61 -0.29 1.82 0.00 -0.59 -0.89 119.26 121.48 1iyg h ALA 46 Ca 0.47 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1iyg h ALA 46 Cb 1.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1iyg h ALA 46 CO -0.08 0.57 -0.00 2.35 0.00 0.00 0.00 179.25 182.09 1iyg h TRP 47 N 0.73 0.45 -0.09 0.00 -0.00 0.49 0.11 115.95 117.64 1iyg h TRP 47 Ca 0.10 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.89 58.84 1iyg h TRP 47 Cb 0.75 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.76 1iyg h TRP 47 CO 0.05 0.46 -0.45 0.00 -0.00 0.00 0.00 178.44 178.50 1iyg h LEU 49 N 0.17 -0.01 -5.25 0.00 3.38 0.36 -3.10 115.31 110.85 1iyg h LEU 49 Ca 0.01 -0.50 -0.24 0.00 0.09 0.00 0.00 57.88 57.23 1iyg h LEU 49 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1iyg h LEU 49 CO 0.07 0.50 1.68 1.33 0.09 0.00 0.00 178.44 182.11 1iyg n VAL 50 N -4.85 1.81 0.00 1.22 0.24 0.19 -1.77 118.33 115.18 1iyg n VAL 50 Ca -0.09 -1.04 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1iyg n VAL 50 Cb 0.26 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.70 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 3.89 0.00 -1.02 7.34 1.74 -1.24 -4.55 116.66 122.83 1iyg n ARG 51 Ca 0.32 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.06 1iyg n ARG 51 Cb 0.20 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.63 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 -1.69 0.12 0.55 2.88 -0.73 -2.51 113.62 111.40 1iyg n SER 52 Ca 0.00 0.72 0.19 0.00 -1.33 0.00 0.00 58.87 58.44 1iyg n SER 52 Cb 0.00 -0.69 0.77 0.00 -0.75 0.00 0.00 64.21 63.53 1iyg n SER 52 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1iyg h LYS 53 N 0.45 0.00 -7.09 -1.46 2.10 -1.91 -3.41 116.57 105.24 1iyg h LYS 53 Ca -0.25 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 57.94 1iyg h LYS 53 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1iyg h LYS 53 CO 0.39 0.00 0.34 0.71 -2.00 0.00 0.00 179.45 178.89 1iyg s TYR 54 N -4.72 3.37 -0.09 0.07 1.51 -1.26 -4.98 117.35 111.25 1iyg s TYR 54 Ca -0.05 1.52 0.09 0.00 -1.01 0.00 0.00 57.07 57.63 1iyg s TYR 54 Cb 0.16 -2.80 -0.24 0.00 -0.11 0.00 0.00 41.96 38.97 1iyg s TYR 54 CO 0.59 -0.20 0.49 0.09 -1.11 0.00 0.00 175.55 175.41 1iyg n ASN 55 N -1.01 1.04 0.26 2.29 4.13 -1.26 -3.80 115.26 116.91 1iyg n ASN 55 Ca 0.07 0.30 0.16 0.00 1.68 0.00 0.00 54.58 56.78 1iyg n ASN 55 Cb 0.54 -0.09 0.58 0.00 -1.54 0.00 0.00 39.78 39.27 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 0.01 0.00 0.00 3.52 5.08 -1.95 -1.83 114.58 119.42 1iyg h GLU 56 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1iyg h GLU 56 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1iyg h GLU 56 CO 0.07 0.03 -0.31 -0.25 -1.00 0.00 0.00 179.01 177.55 1iyg n ASP 57 N -3.13 0.36 -0.03 1.42 9.92 -1.25 -3.75 116.55 120.08 1iyg n ASP 57 Ca 0.01 0.11 -0.20 0.00 -0.53 0.00 0.00 54.79 54.18 1iyg n ASP 57 Cb 0.36 -0.09 -0.13 0.00 -0.64 0.00 0.00 41.12 40.62 1iyg n ASP 57 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1iyg h ILE 58 N 0.00 1.14 0.00 0.53 2.04 -1.43 -3.34 117.51 116.45 1iyg h ILE 58 Ca 0.00 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1iyg h ILE 58 Cb 0.54 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1iyg h ILE 58 CO 0.00 0.59 0.00 -1.14 0.00 0.00 0.00 178.15 177.60 1iyg n ARG 59 N -4.17 0.00 -0.27 2.37 0.63 -1.08 -0.22 116.66 113.92 1iyg n ARG 59 Ca -0.24 0.70 -0.11 0.00 -0.92 0.00 0.00 57.85 57.28 1iyg n ARG 59 Cb 0.77 -1.06 -0.08 0.00 0.45 0.00 0.00 32.46 32.55 1iyg n ARG 59 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1iyg h ARG 60 N 0.00 -0.19 -1.53 -0.14 -0.00 -1.76 0.75 114.38 111.50 1iyg h ARG 60 Ca 0.00 0.01 0.44 0.00 -0.00 0.00 0.00 59.98 60.44 1iyg h ARG 60 Cb 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 29.97 29.95 1iyg h ARG 60 CO 0.00 -0.13 1.10 0.41 -0.00 0.00 0.00 179.97 181.36 1iyg n GLY 61 N -1.34 -0.77 0.03 0.08 0.00 0.69 0.33 105.19 104.21 1iyg n GLY 61 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 -0.82 -0.61 2.04 0.11 -2.94 117.51 115.29 1iyg h ILE 62 Ca 0.73 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 66.36 1iyg h ILE 62 Cb 2.93 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.87 1iyg h ILE 62 CO -0.01 0.00 -0.29 1.33 0.00 0.00 0.00 178.15 179.18 1iyg n VAL 63 N -3.12 -0.41 0.11 1.67 0.24 0.15 0.27 118.33 117.24 1iyg n VAL 63 Ca -0.00 1.92 -0.16 0.00 -2.04 0.00 0.00 64.34 64.05 1iyg n VAL 63 Cb 0.02 -2.56 -0.10 0.00 -1.47 0.00 0.00 33.84 29.72 1iyg n VAL 63 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1iyg h LEU 64 N 0.00 -1.58 -1.55 1.34 3.38 -1.27 0.96 115.31 116.59 1iyg h LEU 64 Ca 0.31 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.47 1iyg h LEU 64 Cb 0.52 0.59 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1iyg h LEU 64 CO -0.83 -0.55 0.33 -0.07 0.09 0.00 0.00 178.44 177.41 1iyg h LEU 65 N -0.74 0.51 -0.30 1.67 3.38 0.64 0.38 115.31 120.85 1iyg h LEU 65 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iyg h LEU 65 Cb 0.75 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1iyg h LEU 65 CO -0.30 0.36 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 1iyg n GLU 66 N -4.47 0.13 -0.01 1.13 1.02 0.76 -1.28 120.64 117.91 1iyg n GLU 66 Ca 0.05 0.29 -0.19 0.00 -0.02 0.00 0.00 57.16 57.29 1iyg n GLU 66 Cb 0.11 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.68 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 -1.94 0.73 0.00 3.49 1.02 0.31 -3.93 120.64 120.32 1iyg n GLU 67 Ca 0.04 0.25 0.14 0.00 -0.02 0.00 0.00 57.16 57.57 1iyg n GLU 67 Cb 0.26 -1.70 0.58 0.00 -0.02 0.00 0.00 31.44 30.56 1iyg n GLU 67 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iyg n LEU 68 N -3.38 0.13 0.26 -4.62 4.77 -0.42 -2.86 117.00 110.87 1iyg n LEU 68 Ca -0.31 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 1iyg n LEU 68 Cb 1.05 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1iyg n LEU 68 CO 0.42 0.03 0.29 0.25 -1.33 0.00 0.00 177.39 177.04 1iyg h LEU 69 N 0.06 -0.61 0.00 2.23 6.46 -1.31 0.58 115.31 122.71 1iyg h LEU 69 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1iyg h LEU 69 Cb 0.45 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1iyg h LEU 69 CO 0.00 -0.20 0.00 -0.81 -0.62 0.00 0.00 178.44 176.81 1iyg n PRO 70 N -5.25 0.18 -0.10 5.25 -0.04 -1.25 -2.25 135.00 131.54 1iyg n PRO 70 Ca -0.09 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1iyg n PRO 70 Cb 0.29 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.39 1iyg n PRO 70 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1iyg n LYS 71 N -1.38 1.37 -0.58 0.54 5.02 -1.14 -5.02 118.16 116.97 1iyg n LYS 71 Ca 0.08 -2.61 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1iyg n LYS 71 Cb 0.21 -1.52 0.00 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 -1.38 6.05 2.02 0.72 0.00 0.20 -4.87 105.19 107.93 1iyg n GLY 72 Ca 0.16 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.40 0.96 -0.00 1.61 7.64 -1.26 -4.98 113.62 117.19 1iyg n SER 73 Ca 0.00 -1.73 -0.00 0.00 1.01 0.00 0.00 58.87 58.15 1iyg n SER 73 Cb 0.00 -0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1iyg n SER 73 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1iyg h LYS 74 N 0.00 0.00 0.00 1.43 1.57 -1.99 -2.39 116.57 115.19 1iyg h LYS 74 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1iyg h LYS 74 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1iyg h LYS 74 CO 0.19 0.00 0.22 1.05 -0.57 0.00 0.00 179.45 180.34 1iyg h GLU 75 N -0.00 0.00 0.01 3.15 4.11 -2.02 0.57 114.58 120.40 1iyg h GLU 75 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 1iyg h GLU 75 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1iyg h GLU 75 CO 0.00 0.00 -1.20 0.93 0.07 0.00 0.00 179.01 178.81 1iyg h GLU 76 N 0.00 0.02 0.00 1.06 4.39 -1.97 -3.24 114.58 114.84 1iyg h GLU 76 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1iyg h GLU 76 Cb 0.43 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1iyg h GLU 76 CO 0.00 0.89 -0.07 1.96 -1.16 0.00 0.00 179.01 180.63 1iyg h GLN 77 N 0.01 0.00 -0.14 2.33 4.20 0.71 -0.86 115.11 121.36 1iyg h GLN 77 Ca -0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1iyg h GLN 77 Cb 1.85 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 1iyg h GLN 77 CO 0.12 0.07 -0.07 0.00 -0.67 0.00 0.00 178.83 178.28 1iyg h ARG 78 N 0.00 0.20 -0.03 1.46 -0.00 -1.56 0.59 114.38 115.04 1iyg h ARG 78 Ca -0.00 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.98 59.25 1iyg h ARG 78 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.09 1iyg h ARG 78 CO 0.01 0.29 -0.82 0.22 0.00 0.00 0.00 179.97 179.67 1iyg h ASP 79 N 0.20 0.38 0.09 7.04 1.82 -1.33 -2.93 116.42 121.69 1iyg h ASP 79 Ca 0.04 -0.28 -0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1iyg h ASP 79 Cb 0.26 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1iyg h ASP 79 CO 0.01 1.05 -0.04 1.88 -1.61 0.00 0.00 179.24 180.52 1iyg h TYR 80 N 0.19 -0.12 -0.99 0.28 0.05 -1.15 -2.85 116.97 112.38 1iyg h TYR 80 Ca -0.04 -0.00 0.38 0.00 0.05 0.00 0.00 58.73 59.12 1iyg h TYR 80 Cb 1.42 0.04 -0.18 0.00 1.01 0.00 0.00 36.73 39.02 1iyg h TYR 80 CO 0.04 -0.07 0.42 0.28 -1.05 0.00 0.00 178.16 177.77 1iyg n VAL 81 N -2.66 -0.42 -0.12 -2.88 0.31 0.10 0.19 118.33 112.86 1iyg n VAL 81 Ca -0.02 2.05 -0.06 0.00 -0.01 0.00 0.00 64.34 66.31 1iyg n VAL 81 Cb 0.05 -3.26 0.02 0.00 -0.91 0.00 0.00 33.84 29.75 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 0.26 -0.05 3.52 3.57 -1.56 0.19 116.94 122.88 1iyg h PHE 82 Ca 0.79 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 62.07 1iyg h PHE 82 Cb 2.00 -0.06 0.02 0.00 2.79 0.00 0.00 35.95 40.70 1iyg h PHE 82 CO -0.13 0.11 -0.89 1.88 -2.23 0.00 0.00 178.31 177.05 1iyg h TYR 83 N 0.31 0.99 -0.86 0.41 -1.99 0.24 -2.66 116.97 113.42 1iyg h TYR 83 Ca 0.17 -0.51 0.13 0.00 2.00 0.00 0.00 58.73 60.53 1iyg h TYR 83 Cb 0.14 -0.13 -0.07 0.00 2.00 0.00 0.00 36.73 38.68 1iyg h TYR 83 CO -0.14 1.34 0.56 -0.07 -0.00 0.00 0.00 178.16 179.85 1iyg h LEU 84 N 0.37 0.63 -0.39 3.88 4.07 0.74 1.12 115.31 125.71 1iyg h LEU 84 Ca -0.10 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1iyg h LEU 84 Cb 1.55 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.19 1iyg h LEU 84 CO 0.18 0.33 -0.31 0.00 -1.08 0.00 0.00 178.44 177.55 1iyg h ALA 85 N 1.60 0.85 0.09 1.53 0.00 -0.93 -0.80 119.26 121.61 1iyg h ALA 85 Ca 0.42 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1iyg h ALA 85 Cb 0.68 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1iyg h ALA 85 CO -0.18 0.39 -0.61 0.28 0.00 0.00 0.00 179.25 179.13 1iyg h VAL 86 N 0.00 1.56 0.00 0.00 2.07 0.67 -1.40 116.25 119.15 1iyg h VAL 86 Ca -0.00 -2.41 -0.09 0.00 0.82 0.00 0.00 66.70 65.02 1iyg h VAL 86 Cb 1.09 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 1iyg h VAL 86 CO 0.04 0.67 -0.41 1.23 0.02 0.00 0.00 177.57 179.13 1iyg h GLY 87 N -0.46 0.00 0.17 2.17 0.00 0.91 -2.97 103.07 102.89 1iyg h GLY 87 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1iyg h GLY 87 CO 0.12 0.00 -0.04 3.43 0.00 0.00 0.00 176.54 180.04 1iyg h ASN 88 N 0.00 -0.10 -0.90 0.19 2.35 -1.21 -3.31 115.58 112.60 1iyg h ASN 88 Ca -0.00 -0.42 0.23 0.00 -0.55 0.00 0.00 56.30 55.55 1iyg h ASN 88 Cb 0.85 0.03 -0.16 0.00 0.05 0.00 0.00 38.32 39.09 1iyg h ASN 88 CO 0.05 0.56 0.02 0.22 -1.65 0.00 0.00 177.43 176.63 1iyg h TYR 89 N -0.94 -0.04 -0.98 1.19 3.20 -1.26 1.41 116.97 119.55 1iyg h TYR 89 Ca -0.01 0.07 0.24 0.00 3.14 0.00 0.00 58.73 62.16 1iyg h TYR 89 Cb 0.51 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1iyg h TYR 89 CO 0.11 -0.34 0.65 -0.09 -1.64 0.00 0.00 178.16 176.84 1iyg h ARG 90 N 0.06 0.34 -0.87 1.82 1.12 -1.61 1.60 114.38 116.85 1iyg h ARG 90 Ca 0.52 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 59.27 1iyg h ARG 90 Cb 1.01 -0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 30.83 1iyg h ARG 90 CO -0.82 0.23 0.13 1.28 -3.11 0.00 0.00 179.97 177.68 1iyg n LEU 91 N -4.52 4.04 -0.98 3.80 4.32 0.48 -4.82 117.00 119.32 1iyg n LEU 91 Ca 0.22 -2.08 -0.10 0.00 -0.02 0.00 0.00 56.01 54.03 1iyg n LEU 91 Cb 0.82 -0.63 -0.04 0.00 -1.62 0.00 0.00 43.42 41.95 1iyg n LEU 91 CO 0.30 0.58 -0.10 2.29 -1.22 0.00 0.00 177.39 179.24 1iyg n LYS 92 N 0.07 -1.53 -1.08 3.23 2.85 0.55 -4.77 118.16 117.47 1iyg n LYS 92 Ca 0.21 0.70 -0.18 0.00 -1.05 0.00 0.00 58.31 58.00 1iyg n LYS 92 Cb 0.89 -4.86 -0.14 0.00 -0.65 0.00 0.00 35.03 30.27 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 -1.13 2.33 -0.13 -1.58 -0.58 -0.82 -4.63 120.64 114.10 1iyg n GLU 93 Ca -0.10 -1.28 -0.07 0.00 -0.42 0.00 0.00 57.16 55.29 1iyg n GLU 93 Cb 0.44 -2.15 -0.01 0.00 -0.57 0.00 0.00 31.44 29.15 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 3.36 -0.93 -0.66 -0.32 0.05 -1.84 0.26 116.97 116.89 1iyg h TYR 94 Ca 0.32 0.06 0.06 0.00 0.05 0.00 0.00 58.73 59.22 1iyg h TYR 94 Cb 1.26 0.47 -0.08 0.00 1.01 0.00 0.00 36.73 39.40 1iyg h TYR 94 CO 1.79 -0.39 -0.39 0.39 -1.05 0.00 0.00 178.16 178.52 1iyg n GLU 95 N -5.42 -0.29 0.21 4.88 1.02 -1.26 0.70 120.64 120.48 1iyg n GLU 95 Ca 0.01 1.23 -0.15 0.00 -0.02 0.00 0.00 57.16 58.23 1iyg n GLU 95 Cb 0.34 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.46 -0.53 3.49 1.57 -1.77 0.13 116.57 119.01 1iyg h LYS 96 Ca 0.11 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1iyg h LYS 96 Cb 0.27 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1iyg h LYS 96 CO -0.62 -0.29 -0.31 0.00 -0.57 0.00 0.00 179.45 177.66 1iyg n ALA 97 N -2.31 -0.34 0.28 3.86 0.00 0.86 0.05 120.51 122.92 1iyg n ALA 97 Ca -0.10 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 1iyg n ALA 97 Cb 0.21 0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.35 -1.61 0.00 -0.00 0.35 0.87 115.31 113.58 1iyg h LEU 98 Ca 0.08 0.11 0.48 0.00 -0.00 0.00 0.00 57.88 58.56 1iyg h LEU 98 Cb 0.22 0.45 -0.08 0.00 -0.00 0.00 0.00 40.66 41.24 1iyg h LEU 98 CO -0.49 -0.65 1.13 1.17 -0.00 0.00 0.00 178.44 179.60 1iyg n LYS 99 N -5.56 -0.01 -0.04 1.13 4.81 0.46 0.33 118.16 119.28 1iyg n LYS 99 Ca -0.12 0.98 -0.22 0.00 -0.87 0.00 0.00 58.31 58.08 1iyg n LYS 99 Cb 0.45 -2.17 -0.13 0.00 0.02 0.00 0.00 35.03 33.20 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 -3.85 1.04 -0.02 5.64 4.01 0.11 -3.49 117.16 120.60 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 1.67 -1.13 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 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 -0.32 1.35 -0.29 -0.72 2.07 0.92 0.33 116.25 119.59 1iyg h VAL 101 Ca -0.43 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.08 1iyg h VAL 101 Cb 1.78 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 33.49 1iyg h VAL 101 CO -0.04 0.29 -0.23 0.03 0.02 0.00 0.00 177.57 177.64 1iyg h ARG 102 N -0.36 -0.20 -0.29 1.57 2.47 0.52 1.80 114.38 119.88 1iyg h ARG 102 Ca 0.01 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1iyg h ARG 102 Cb 0.48 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1iyg h ARG 102 CO 0.01 -0.13 -0.08 0.78 0.56 0.00 0.00 179.97 181.10 1iyg h GLY 103 N -0.21 0.52 0.87 0.04 0.00 -1.59 -2.71 103.07 99.99 1iyg h GLY 103 Ca 0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1iyg h GLY 103 CO -0.41 0.31 -0.28 -2.00 0.00 0.00 0.00 176.54 174.16 1iyg h LEU 104 N 0.45 0.59 -1.73 3.11 5.85 0.98 -2.85 115.31 121.71 1iyg h LEU 104 Ca 0.09 -0.52 0.26 0.00 0.84 0.00 0.00 57.88 58.55 1iyg h LEU 104 Cb 0.43 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1iyg h LEU 104 CO 0.02 0.99 0.66 -0.07 -0.34 0.00 0.00 178.44 179.70 1iyg h LEU 105 N 0.20 0.21 -2.45 2.25 3.38 0.30 2.04 115.31 121.24 1iyg h LEU 105 Ca 0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iyg h LEU 105 Cb 0.86 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1iyg h LEU 105 CO 0.07 0.06 -0.02 1.56 0.09 0.00 0.00 178.44 180.20 1iyg h GLN 106 N 0.19 0.00 0.00 1.13 1.08 -1.29 -1.35 115.11 114.88 1iyg h GLN 106 Ca 0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 1iyg h GLN 106 Cb 1.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 1iyg h GLN 106 CO -0.11 0.02 -0.25 -2.37 -0.95 0.00 0.00 178.83 175.17 1iyg n THR 107 N -3.28 0.00 -3.16 -0.54 5.66 0.53 -4.76 114.28 108.74 1iyg n THR 107 Ca -0.02 -0.39 -0.22 0.00 -3.05 0.00 0.00 64.05 60.37 1iyg n THR 107 Cb 0.15 0.92 -0.05 0.00 -1.55 0.00 0.00 70.33 69.80 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 -1.13 1.55 -0.00 1.09 -0.58 0.57 -4.91 120.64 117.22 1iyg n GLU 108 Ca 0.00 -3.79 -0.17 0.00 -0.42 0.00 0.00 57.16 52.79 1iyg n GLU 108 Cb 0.04 -1.76 -0.10 0.00 -0.57 0.00 0.00 31.44 29.04 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 3.33 0.47 0.00 3.49 0.13 -1.50 -3.07 132.00 134.85 1iyg h PRO 109 Ca 0.11 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1iyg h PRO 109 Cb 0.82 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1iyg h PRO 109 CO 0.59 1.11 0.00 0.00 -0.23 0.00 0.00 178.00 179.47 1iyg n GLN 110 N -4.19 0.04 -2.54 0.86 10.64 -1.26 -4.37 117.38 116.57 1iyg n GLN 110 Ca -0.10 0.24 -0.41 0.00 -1.83 0.00 0.00 57.00 54.90 1iyg n GLN 110 Cb 0.67 -1.58 -0.02 0.00 -0.86 0.00 0.00 30.24 28.46 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 -3.28 6.57 0.34 2.61 2.47 -1.16 -4.80 114.94 117.69 1iyg s ASN 111 Ca 0.08 -1.92 0.13 0.00 0.42 0.00 0.00 52.86 51.56 1iyg s ASN 111 Cb 0.11 -2.58 1.07 0.00 -1.45 0.00 0.00 41.25 38.40 1iyg s ASN 111 CO 0.34 -1.44 1.61 0.78 -3.72 0.00 0.00 177.10 174.68 1iyg h ASN 112 N 8.76 0.18 -0.93 -4.21 4.21 -1.85 1.34 115.58 123.08 1iyg h ASN 112 Ca 0.32 0.23 0.24 0.00 1.21 0.00 0.00 56.30 58.31 1iyg h ASN 112 Cb 0.94 0.27 -0.13 0.00 -1.12 0.00 0.00 38.32 38.28 1iyg h ASN 112 CO 1.43 -0.29 0.43 1.56 -1.29 0.00 0.00 177.43 179.27 1iyg h GLN 113 N 0.13 0.37 -0.03 0.81 4.20 -1.93 1.99 115.11 120.65 1iyg h GLN 113 Ca 0.72 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 59.26 1iyg h GLN 113 Cb 1.72 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.40 1iyg h GLN 113 CO -0.73 0.25 -0.66 0.00 -0.67 0.00 0.00 178.83 177.01 1iyg h ALA 114 N 1.75 0.84 -0.01 3.87 0.00 0.15 -1.69 119.26 124.18 1iyg h ALA 114 Ca 0.60 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1iyg h ALA 114 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1iyg h ALA 114 CO -0.56 0.79 -0.02 0.87 0.00 0.00 0.00 179.25 180.34 1iyg h LYS 115 N 0.08 0.03 0.58 0.00 1.57 0.20 -2.93 116.57 116.10 1iyg h LYS 115 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1iyg h LYS 115 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1iyg h LYS 115 CO 0.09 0.65 -0.44 0.93 -0.57 0.00 0.00 179.45 180.11 1iyg h GLU 116 N -0.59 -0.95 -0.92 3.15 4.39 0.26 -2.64 114.58 117.27 1iyg h GLU 116 Ca -0.00 0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1iyg h GLU 116 Cb 0.65 0.22 -0.11 0.00 -0.10 0.00 0.00 28.75 29.41 1iyg h GLU 116 CO 0.00 -0.63 -0.54 -0.11 -1.16 0.00 0.00 179.01 176.57 1iyg n LEU 117 N -5.17 -0.98 -0.40 1.33 0.00 -0.64 0.14 117.00 111.28 1iyg n LEU 117 Ca -0.12 1.67 -0.09 0.00 0.00 0.00 0.00 56.01 57.47 1iyg n LEU 117 Cb 0.43 -0.23 -0.08 0.00 0.00 0.00 0.00 43.42 43.55 1iyg n LEU 117 CO 0.27 -1.35 0.47 1.21 0.00 0.00 0.00 177.39 178.00 1iyg n GLU 118 N -5.12 -0.39 -0.28 1.96 0.00 -1.11 0.89 120.64 116.60 1iyg n GLU 118 Ca 0.02 1.45 -0.05 0.00 0.00 0.00 0.00 57.16 58.58 1iyg n GLU 118 Cb 0.24 -2.13 0.09 0.00 0.00 0.00 0.00 31.44 29.64 1iyg n GLU 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iyg h ARG 119 N 0.00 1.16 0.16 5.31 3.08 -0.15 0.17 114.38 124.11 1iyg h ARG 119 Ca 0.18 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1iyg h ARG 119 Cb 0.42 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1iyg h ARG 119 CO -0.91 0.93 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.50 1iyg h LEU 120 N 1.13 -1.03 -0.07 3.04 3.38 0.78 0.44 115.31 122.98 1iyg h LEU 120 Ca 0.26 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1iyg h LEU 120 Cb 0.20 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1iyg h LEU 120 CO -0.02 -0.45 0.04 0.40 0.09 0.00 0.00 178.44 178.49 1iyg h ILE 121 N -0.62 1.08 -1.10 1.22 2.04 0.58 0.41 117.51 121.13 1iyg h ILE 121 Ca 0.02 -0.22 0.35 0.00 1.00 0.00 0.00 64.86 66.01 1iyg h ILE 121 Cb 0.63 1.10 -0.13 0.00 -0.74 0.00 0.00 36.82 37.67 1iyg h ILE 121 CO -0.18 0.07 0.67 -0.78 0.00 0.00 0.00 178.15 177.92 1iyg h ASP 122 N 0.02 0.42 0.04 1.72 1.82 -0.21 0.96 116.42 121.19 1iyg h ASP 122 Ca 0.02 0.16 -0.17 0.00 -0.39 0.00 0.00 57.03 56.65 1iyg h ASP 122 Cb 0.07 0.11 0.02 0.00 0.68 0.00 0.00 39.33 40.21 1iyg h ASP 122 CO -0.00 -0.11 -0.70 0.11 -1.61 0.00 0.00 179.24 176.92 1iyg h LYS 123 N 0.26 0.41 -0.34 0.28 1.57 -0.11 -3.27 116.57 115.38 1iyg h LYS 123 Ca 0.74 -0.49 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1iyg h LYS 123 Cb 1.91 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 34.32 1iyg h LYS 123 CO -0.50 1.16 -0.02 0.00 -0.57 0.00 0.00 179.45 179.52 1iyg h ALA 124 N 0.27 0.29 -0.82 3.86 0.00 0.28 0.34 119.26 123.47 1iyg h ALA 124 Ca -0.10 0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.11 1iyg h ALA 124 Cb 1.43 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 19.26 1iyg h ALA 124 CO 0.14 -0.41 0.00 0.52 0.00 0.00 0.00 179.25 179.49 1iyg h MET 125 N 0.07 0.08 -0.16 0.00 2.86 0.24 0.27 114.93 118.29 1iyg h MET 125 Ca 0.16 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.61 1iyg h MET 125 Cb 0.23 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.88 1iyg h MET 125 CO -0.29 0.05 -0.62 0.87 1.06 0.00 0.00 176.91 177.99 1iyg h LYS 126 N 0.08 0.71 -5.40 1.72 1.79 -1.31 -3.38 116.57 110.78 1iyg h LYS 126 Ca 0.46 -0.54 -0.20 0.00 -2.18 0.00 0.00 60.65 58.19 1iyg h LYS 126 Cb 0.84 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 1iyg h LYS 126 CO -0.74 1.16 0.60 0.15 -1.08 0.00 0.00 179.45 179.54 1iyg s LYS 127 N -3.82 2.02 0.00 3.15 1.02 0.11 -4.71 119.74 117.50 1iyg s LYS 127 Ca -0.11 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1iyg s LYS 127 Cb 0.08 -5.08 0.00 0.00 -0.52 0.00 0.00 37.83 32.30 1iyg s LYS 127 CO 0.87 -4.37 0.00 -1.13 -0.92 0.00 0.00 175.35 169.80 1iyg n SER 128 N 16.35 0.00 -4.40 2.83 3.41 -1.26 -4.84 113.62 125.71 1iyg n SER 128 Ca 0.43 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.80 1iyg n SER 128 Cb 0.46 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 1iyg n SER 128 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1iyg s GLY 129 N 0.00 1.61 -1.22 5.00 0.00 -1.26 -5.05 107.32 106.41 1iyg s GLY 129 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 44.72 42.90 1iyg s GLY 129 CO 0.00 -1.67 1.88 -1.55 0.00 0.00 0.00 173.10 171.76 1iyg n PRO 130 N 0.12 2.36 -2.66 2.90 -0.04 -1.26 -4.89 135.00 131.53 1iyg n PRO 130 Ca -0.11 -2.76 -0.42 0.00 -0.04 0.00 0.00 63.50 60.17 1iyg n PRO 130 Cb 0.57 -3.52 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 1iyg n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1iyg s SER 131 N 5.12 6.52 -0.09 3.54 0.01 -1.26 -4.81 113.70 122.73 1iyg s SER 131 Ca 0.60 -1.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.29 1iyg s SER 131 Cb 0.04 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1iyg s SER 131 CO 0.09 -1.40 0.00 -1.28 0.41 0.00 0.00 173.24 171.06 1iyg h SER 132 N 9.54 -0.00 0.00 2.44 0.87 -2.08 -3.57 113.55 120.76 1iyg h SER 132 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1iyg h SER 132 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1iyg h SER 132 CO 1.33 0.46 0.00 0.61 -0.53 0.00 0.00 176.83 178.70