#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 3.82 0.19 1.61 0.01 -1.26 -5.10 113.70 112.96 1iyg s SER 2 Ca 0.00 -1.44 -0.19 0.00 1.31 0.00 0.00 55.95 55.63 1iyg s SER 2 Cb 0.00 -0.88 0.04 0.00 0.21 0.00 0.00 66.02 65.39 1iyg s SER 2 CO 0.00 -0.37 0.55 -0.55 0.41 0.00 0.00 173.24 173.28 1iyg s SER 3 N 1.61 -0.33 -0.76 2.44 0.15 -1.26 -5.11 113.70 110.44 1iyg s SER 3 Ca 0.06 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.17 1iyg s SER 3 Cb -0.17 0.59 0.15 0.00 -1.71 0.00 0.00 66.02 64.88 1iyg s SER 3 CO -0.19 -1.05 0.83 -0.83 1.20 0.00 0.00 173.24 173.21 1iyg s GLY 4 N -2.84 2.15 0.12 9.45 0.00 -1.26 -4.71 107.32 110.23 1iyg s GLY 4 Ca 0.07 -2.78 0.00 0.00 0.00 0.00 0.00 44.72 42.01 1iyg s GLY 4 CO -0.05 1.56 0.00 -1.26 0.00 0.00 0.00 173.10 173.35 1iyg n SER 5 N 5.50 0.41 -4.90 1.64 2.88 -1.26 -5.09 113.62 112.80 1iyg n SER 5 Ca 0.07 0.20 -0.29 0.00 -1.33 0.00 0.00 58.87 57.52 1iyg n SER 5 Cb 0.46 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1iyg n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1iyg s SER 6 N -5.29 6.48 0.00 -3.46 0.15 -1.26 -4.75 113.70 105.57 1iyg s SER 6 Ca 0.00 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1iyg s SER 6 Cb 0.00 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1iyg s SER 6 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1iyg n GLY 7 N -0.71 -1.60 0.21 9.45 0.00 -1.26 -4.98 105.19 106.30 1iyg n GLY 7 Ca -0.01 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.18 1.61 1.56 -1.26 -4.25 117.12 114.97 1iyg n MET 8 Ca 0.00 0.00 0.14 0.00 -0.27 0.00 0.00 57.70 57.57 1iyg n MET 8 Cb 0.00 -0.87 0.43 0.00 2.15 0.00 0.00 33.22 34.93 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 0.02 2.12 4.81 -1.96 -1.57 114.58 118.01 1iyg h GLU 9 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1iyg h GLU 9 Cb 0.93 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1iyg h GLU 9 CO 0.00 0.00 -1.53 0.00 -0.73 0.00 0.00 179.01 176.75 1iyg n ALA 10 N -1.94 0.85 0.23 2.92 0.00 -1.26 -3.18 120.51 118.13 1iyg n ALA 10 Ca 0.03 -0.57 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 1iyg n ALA 10 Cb 0.38 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.80 0.54 0.00 0.00 3.04 -1.73 0.66 116.25 117.95 1iyg h VAL 11 Ca -0.40 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1iyg h VAL 11 Cb 1.47 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 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 -5.35 0.23 0.00 3.16 4.77 -0.59 -3.52 117.00 115.70 1iyg n LEU 12 Ca -0.10 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1iyg n LEU 12 Cb 0.26 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1iyg n LEU 12 CO 0.34 -0.53 0.00 0.59 -1.33 0.00 0.00 177.39 176.46 1iyg n ASN 13 N -1.78 0.00 -4.43 -1.43 5.03 0.08 -4.93 115.26 107.80 1iyg n ASN 13 Ca 0.01 0.02 -0.48 0.00 0.87 0.00 0.00 54.58 55.00 1iyg n ASN 13 Cb 0.09 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 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 -1.08 0.18 -4.29 3.52 2.13 0.21 -4.97 120.64 116.35 1iyg n GLU 14 Ca 0.00 0.06 -0.25 0.00 0.66 0.00 0.00 57.16 57.64 1iyg n GLU 14 Cb 0.00 -1.13 -0.08 0.00 0.27 0.00 0.00 31.44 30.50 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 2.55 3.03 0.44 4.31 0.05 -1.26 -4.86 118.68 122.94 1iyg s LEU 15 Ca 0.64 -0.99 -0.21 0.00 0.05 0.00 0.00 54.13 53.62 1iyg s LEU 15 Cb -0.91 -1.39 -0.10 0.00 -2.05 0.00 0.00 46.19 41.74 1iyg s LEU 15 CO 0.56 -0.30 0.99 0.54 -0.55 0.00 0.00 176.35 177.59 1iyg s VAL 16 N -2.53 4.10 0.01 1.48 0.11 -0.83 -4.85 120.40 117.88 1iyg s VAL 16 Ca 0.36 1.36 0.03 0.00 -2.93 0.00 0.00 61.98 60.79 1iyg s VAL 16 Cb 0.01 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 1iyg s VAL 16 CO 0.20 -0.23 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.26 1iyg s SER 17 N -2.02 4.84 0.26 3.54 0.01 -1.26 -4.03 113.70 115.05 1iyg s SER 17 Ca 0.63 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.77 1iyg s SER 17 Cb -0.13 -1.18 0.54 0.00 0.21 0.00 0.00 66.02 65.45 1iyg s SER 17 CO 0.17 0.27 1.71 0.58 0.41 0.00 0.00 173.24 176.39 1iyg h VAL 18 N 3.61 0.57 -0.76 3.43 2.07 -1.97 0.31 116.25 123.52 1iyg h VAL 18 Ca -0.49 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1iyg h VAL 18 Cb 1.17 0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 1iyg h VAL 18 CO 0.55 0.07 -0.49 -0.08 0.02 0.00 0.00 177.57 177.64 1iyg h GLU 19 N 0.40 -0.14 0.15 1.57 4.81 -1.99 1.48 114.58 120.86 1iyg h GLU 19 Ca 0.46 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 1iyg h GLU 19 Cb 0.77 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1iyg h GLU 19 CO -0.47 -0.09 -0.07 -0.44 -0.73 0.00 0.00 179.01 177.21 1iyg h ASP 20 N -0.14 -0.17 -0.93 1.04 3.32 -1.60 -2.75 116.42 115.20 1iyg h ASP 20 Ca 0.19 -0.34 0.25 0.00 0.02 0.00 0.00 57.03 57.15 1iyg h ASP 20 Cb 0.53 0.04 -0.17 0.00 0.22 0.00 0.00 39.33 39.96 1iyg h ASP 20 CO -0.81 0.30 0.09 0.25 -1.72 0.00 0.00 179.24 177.36 1iyg h LEU 21 N -0.69 -0.31 -0.56 1.55 7.12 0.52 1.40 115.31 124.34 1iyg h LEU 21 Ca -0.02 0.25 0.01 0.00 0.13 0.00 0.00 57.88 58.25 1iyg h LEU 21 Cb 0.50 0.40 -0.03 0.00 -0.53 0.00 0.00 40.66 41.00 1iyg h LEU 21 CO 0.03 -0.28 0.36 0.11 -0.13 0.00 0.00 178.44 178.53 1iyg h LYS 22 N 0.07 0.70 -0.40 1.25 1.79 0.21 1.49 116.57 121.67 1iyg h LYS 22 Ca 0.57 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 59.08 1iyg h LYS 22 Cb 1.17 -0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.57 1iyg h LYS 22 CO -0.81 0.46 -0.19 -0.97 -1.08 0.00 0.00 179.45 176.85 1iyg h ASN 23 N 0.72 -0.66 0.10 0.86 -1.24 0.21 -0.60 115.58 114.97 1iyg h ASN 23 Ca 0.21 0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.37 1iyg h ASN 23 Cb -0.04 0.36 0.00 0.00 0.73 0.00 0.00 38.32 39.37 1iyg h ASN 23 CO -0.07 -0.23 -0.05 -0.26 -1.29 0.00 0.00 177.43 175.54 1iyg h PHE 24 N -0.12 -0.12 -1.84 0.67 0.04 -0.69 -2.79 116.94 112.09 1iyg h PHE 24 Ca 0.20 -0.00 0.53 0.00 2.80 0.00 0.00 57.97 61.50 1iyg h PHE 24 Cb 0.42 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.54 1iyg h PHE 24 CO -0.43 0.40 1.39 1.49 -0.60 0.00 0.00 178.31 180.56 1iyg h GLU 25 N -0.81 0.00 0.00 1.51 4.81 0.24 0.70 114.58 121.03 1iyg h GLU 25 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1iyg h GLU 25 Cb 0.58 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1iyg h GLU 25 CO 0.02 0.00 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.02 1iyg h ARG 26 N 0.00 0.00 -0.51 1.92 2.43 -1.08 -2.77 114.38 114.37 1iyg h ARG 26 Ca 0.87 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 60.14 1iyg h ARG 26 Cb 3.65 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 33.09 1iyg h ARG 26 CO -0.01 0.57 -0.31 0.87 -1.51 0.00 0.00 179.97 179.59 1iyg h LYS 27 N -1.00 -0.17 0.21 0.20 6.56 0.57 0.25 116.57 123.20 1iyg h LYS 27 Ca -0.04 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1iyg h LYS 27 Cb 0.65 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1iyg h LYS 27 CO -0.02 -0.12 -0.14 0.35 -2.06 0.00 0.00 179.45 177.46 1iyg h PHE 28 N -0.18 -0.39 0.00 -1.35 3.57 -1.03 0.84 116.94 118.41 1iyg h PHE 28 Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1iyg h PHE 28 Cb 0.53 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1iyg h PHE 28 CO -0.58 -0.21 0.00 1.04 -2.23 0.00 0.00 178.31 176.33 1iyg n GLN 29 N -3.13 0.00 -0.11 1.11 1.13 -1.01 0.53 117.38 115.90 1iyg n GLN 29 Ca -0.04 0.81 -0.03 0.00 -1.94 0.00 0.00 57.00 55.80 1iyg n GLN 29 Cb 0.14 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 1iyg n GLN 29 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1iyg h SER 30 N 0.00 -0.60 -1.63 1.08 0.87 -0.58 1.50 113.55 114.19 1iyg h SER 30 Ca 0.00 0.09 0.47 0.00 -1.23 0.00 0.00 61.79 61.12 1iyg h SER 30 Cb 0.00 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.15 1iyg h SER 30 CO 0.00 -0.07 1.16 -0.33 -0.53 0.00 0.00 176.83 177.06 1iyg h GLU 31 N -0.01 0.01 0.59 2.24 4.39 -0.39 0.72 114.58 122.13 1iyg h GLU 31 Ca 0.04 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1iyg h GLU 31 Cb 0.12 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1iyg h GLU 31 CO -0.25 0.01 -0.28 0.37 -1.16 0.00 0.00 179.01 177.69 1iyg h GLN 32 N 0.01 -0.77 0.00 2.33 4.15 0.74 -0.66 115.11 120.91 1iyg h GLN 32 Ca 0.78 0.05 0.00 0.00 0.77 0.00 0.00 58.65 60.26 1iyg h GLN 32 Cb 3.10 0.17 0.00 0.00 0.21 0.00 0.00 27.48 30.97 1iyg h GLN 32 CO -0.03 -0.51 0.00 0.00 -1.93 0.00 0.00 178.83 176.35 1iyg n ALA 33 N -2.54 1.55 0.09 3.38 0.00 0.51 -1.58 120.51 121.92 1iyg n ALA 33 Ca -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1iyg n ALA 33 Cb 0.31 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.63 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 2.38 0.78 0.00 0.00 0.00 0.58 -3.46 119.26 119.54 1iyg h ALA 34 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1iyg h ALA 34 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iyg h ALA 34 CO 0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1iyg n GLY 35 N 0.44 0.45 0.00 0.00 0.00 -0.62 -5.05 105.19 100.41 1iyg n GLY 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.74 1.61 7.64 -0.29 -4.99 113.62 112.85 1iyg n SER 36 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 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 -0.13 3.09 0.48 0.44 1.01 -1.21 -4.56 120.40 119.52 1iyg s VAL 37 Ca 0.00 0.90 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 1iyg s VAL 37 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 1iyg s VAL 37 CO 0.00 0.14 0.98 -0.44 0.00 0.00 0.00 175.10 175.78 1iyg s SER 38 N 0.34 6.68 0.18 3.32 0.01 -1.26 -4.84 113.70 118.12 1iyg s SER 38 Ca 0.57 1.67 -0.20 0.00 1.31 0.00 0.00 55.95 59.30 1iyg s SER 38 Cb -0.38 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.43 1iyg s SER 38 CO 0.39 -0.55 1.61 0.11 0.41 0.00 0.00 173.24 175.21 1iyg h LYS 39 N 1.38 -0.17 -0.56 12.44 1.57 -1.97 0.47 116.57 129.72 1iyg h LYS 39 Ca -0.48 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.38 1iyg h LYS 39 Cb 1.19 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.44 1iyg h LYS 39 CO 0.61 -0.11 -0.51 0.77 -0.57 0.00 0.00 179.45 179.64 1iyg h SER 40 N -0.18 -1.74 -0.34 0.86 0.02 -1.98 0.98 113.55 111.16 1iyg h SER 40 Ca 0.21 0.26 0.01 0.00 -0.84 0.00 0.00 61.79 61.42 1iyg h SER 40 Cb 0.51 0.75 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 1iyg h SER 40 CO -0.57 -0.35 0.22 0.74 -1.14 0.00 0.00 176.83 175.73 1iyg h THR 41 N -0.27 1.08 0.45 -2.27 2.02 -1.56 0.21 112.91 112.57 1iyg h THR 41 Ca 0.13 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1iyg h THR 41 Cb 0.56 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1iyg h THR 41 CO -0.68 0.08 -0.22 -0.61 0.37 0.00 0.00 175.52 174.46 1iyg h GLN 42 N 0.44 -0.59 -0.85 6.66 4.15 0.49 -1.40 115.11 124.02 1iyg h GLN 42 Ca 0.13 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.69 1iyg h GLN 42 Cb -0.03 0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 1iyg h GLN 42 CO -0.03 -0.39 0.55 0.35 -1.93 0.00 0.00 178.83 177.38 1iyg h PHE 43 N -0.79 0.85 0.00 3.99 3.57 0.79 0.55 116.94 125.90 1iyg h PHE 43 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1iyg h PHE 43 Cb 0.47 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1iyg h PHE 43 CO 0.06 0.37 0.00 0.39 -2.23 0.00 0.00 178.31 176.91 1iyg n GLU 44 N -4.53 0.00 -0.33 1.11 1.02 0.72 0.33 120.64 118.96 1iyg n GLU 44 Ca 0.15 0.10 0.23 0.00 -0.02 0.00 0.00 57.16 57.62 1iyg n GLU 44 Cb 0.35 -1.08 0.46 0.00 -0.02 0.00 0.00 31.44 31.14 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 0.78 0.01 -0.32 3.20 -1.23 0.69 116.97 120.11 1iyg h TYR 45 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1iyg h TYR 45 Cb 0.00 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1iyg h TYR 45 CO 0.04 -0.24 -0.00 0.00 -1.64 0.00 0.00 178.16 176.32 1iyg h ALA 46 N 1.87 -0.01 -0.62 1.82 0.00 -0.85 0.27 119.26 121.74 1iyg h ALA 46 Ca 0.72 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.62 1iyg h ALA 46 Cb 1.66 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1iyg h ALA 46 CO -0.65 -0.49 0.41 2.35 0.00 0.00 0.00 179.25 180.87 1iyg h TRP 47 N -0.05 0.77 0.28 0.00 -0.00 0.49 -1.11 115.95 116.32 1iyg h TRP 47 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1iyg h TRP 47 Cb 0.04 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 28.95 1iyg h TRP 47 CO -0.07 0.48 -0.13 0.00 -0.00 0.00 0.00 178.44 178.72 1iyg h LEU 49 N -0.46 -1.02 -5.58 0.00 3.38 0.33 -2.31 115.31 109.65 1iyg h LEU 49 Ca -0.04 0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.82 1iyg h LEU 49 Cb 0.35 0.48 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1iyg h LEU 49 CO 0.06 -0.32 2.24 1.33 0.09 0.00 0.00 178.44 181.84 1iyg n VAL 50 N -5.41 1.86 0.00 1.22 0.24 -0.50 -1.73 118.33 114.01 1iyg n VAL 50 Ca 0.01 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 1iyg n VAL 50 Cb 0.33 -1.99 0.00 0.00 -1.47 0.00 0.00 33.84 30.71 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 4.43 0.00 -0.98 7.34 1.74 -0.89 -4.79 116.66 123.50 1iyg n ARG 51 Ca 0.34 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 57.07 1iyg n ARG 51 Cb 0.10 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.58 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 -0.79 -5.74 0.00 0.55 2.88 -0.71 -1.97 113.62 107.85 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 -0.74 0.33 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 2.37 0.10 -3.84 -1.46 -0.00 -1.26 -4.58 118.16 109.49 1iyg n LYS 53 Ca -0.01 0.21 -0.20 0.00 -0.00 0.00 0.00 58.31 58.30 1iyg n LYS 53 Cb 0.54 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 34.05 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 -2.80 3.31 -0.11 5.58 1.51 -1.26 -5.03 117.35 118.56 1iyg s TYR 54 Ca 0.10 -0.09 0.12 0.00 -1.01 0.00 0.00 57.07 56.18 1iyg s TYR 54 Cb 0.09 -1.68 -0.24 0.00 -0.11 0.00 0.00 41.96 40.02 1iyg s TYR 54 CO 0.24 0.31 0.42 0.27 -1.11 0.00 0.00 175.55 175.68 1iyg n ASN 55 N -1.46 0.82 -0.13 2.29 6.94 -1.26 -4.28 115.26 118.18 1iyg n ASN 55 Ca -0.06 0.25 -0.06 0.00 -0.02 0.00 0.00 54.58 54.69 1iyg n ASN 55 Cb 0.57 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1iyg n ASN 55 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1iyg h GLU 56 N 0.01 -0.18 -0.41 -3.83 5.08 -1.95 -0.49 114.58 112.82 1iyg h GLU 56 Ca -0.39 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1iyg h GLU 56 Cb 2.08 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 31.28 1iyg h GLU 56 CO 0.06 -0.12 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.22 1iyg h ASP 57 N -0.18 -0.97 -1.25 1.42 5.19 -1.82 0.82 116.42 119.62 1iyg h ASP 57 Ca 0.20 0.18 0.36 0.00 -0.62 0.00 0.00 57.03 57.15 1iyg h ASP 57 Cb 0.50 0.47 -0.08 0.00 0.18 0.00 0.00 39.33 40.40 1iyg h ASP 57 CO -0.54 -0.30 0.86 0.40 -3.12 0.00 0.00 179.24 176.54 1iyg h ILE 58 N -0.22 0.35 0.12 0.35 2.04 -1.08 1.45 117.51 120.52 1iyg h ILE 58 Ca 0.18 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1iyg h ILE 58 Cb 0.51 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1iyg h ILE 58 CO -0.53 0.02 -0.06 -0.09 0.00 0.00 0.00 178.15 177.50 1iyg h ARG 59 N 0.12 -0.15 -0.06 2.37 2.43 0.12 -0.60 114.38 118.61 1iyg h ARG 59 Ca 0.66 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.84 1iyg h ARG 59 Cb 2.27 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.85 1iyg h ARG 59 CO -0.16 0.31 0.00 2.89 -1.51 0.00 0.00 179.97 181.51 1iyg n ARG 60 N -4.91 1.13 -0.07 0.20 1.85 0.11 -3.08 116.66 111.88 1iyg n ARG 60 Ca -0.08 -0.20 -0.10 0.00 -1.00 0.00 0.00 57.85 56.46 1iyg n ARG 60 Cb 0.27 -1.05 -0.07 0.00 -1.05 0.00 0.00 32.46 30.57 1iyg n ARG 60 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1iyg n GLY 61 N 0.59 -0.21 0.10 2.89 0.00 0.46 -4.38 105.19 104.64 1iyg n GLY 61 Ca 0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 1.35 -0.47 -0.61 2.04 -1.11 -2.69 117.51 116.02 1iyg h ILE 62 Ca -0.33 -1.17 0.08 0.00 1.00 0.00 0.00 64.86 64.44 1iyg h ILE 62 Cb 1.51 1.94 -0.10 0.00 -0.74 0.00 0.00 36.82 39.43 1iyg h ILE 62 CO -0.05 0.33 -0.41 -0.37 0.00 0.00 0.00 178.15 177.65 1iyg h VAL 63 N -0.20 0.13 -0.01 1.67 -1.51 -1.79 1.81 116.25 116.35 1iyg h VAL 63 Ca 0.02 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.50 1iyg h VAL 63 Cb 0.56 0.13 -0.04 0.00 -2.13 0.00 0.00 31.29 29.81 1iyg h VAL 63 CO 0.02 0.00 -0.35 -0.07 -1.23 0.00 0.00 177.57 175.94 1iyg h LEU 64 N -0.27 -1.08 -1.62 4.19 3.38 -1.76 0.35 115.31 118.51 1iyg h LEU 64 Ca 0.16 0.12 0.20 0.00 0.09 0.00 0.00 57.88 58.45 1iyg h LEU 64 Cb 0.57 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1iyg h LEU 64 CO -0.61 -0.34 0.57 -0.07 0.09 0.00 0.00 178.44 178.09 1iyg h LEU 65 N -0.43 0.33 -0.93 1.67 4.07 -0.96 1.51 115.31 120.57 1iyg h LEU 65 Ca 0.01 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1iyg h LEU 65 Cb 0.46 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1iyg h LEU 65 CO -0.24 0.14 0.00 -0.33 -1.08 0.00 0.00 178.44 176.93 1iyg h GLU 66 N 0.33 0.00 0.02 1.13 5.08 0.57 -0.11 114.58 121.59 1iyg h GLU 66 Ca 0.43 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.48 1iyg h GLU 66 Cb 1.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1iyg h GLU 66 CO -0.13 0.00 -1.85 0.39 -1.00 0.00 0.00 179.01 176.42 1iyg n GLU 67 N -2.52 0.66 0.19 2.33 -0.58 0.50 -3.94 120.64 117.28 1iyg n GLU 67 Ca 0.02 0.25 0.12 0.00 -0.42 0.00 0.00 57.16 57.13 1iyg n GLU 67 Cb 0.26 -1.74 0.16 0.00 -0.57 0.00 0.00 31.44 29.55 1iyg n GLU 67 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1iyg h LEU 68 N 0.01 0.00 -0.23 -4.62 3.38 -0.75 -3.13 115.31 109.97 1iyg h LEU 68 Ca -0.34 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.65 1iyg h LEU 68 Cb 2.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.74 1iyg h LEU 68 CO 0.07 0.00 -0.46 -0.07 0.09 0.00 0.00 178.44 178.08 1iyg h LEU 69 N 0.00 -1.49 -0.60 1.67 -0.00 -1.15 1.50 115.31 115.24 1iyg h LEU 69 Ca 0.00 0.19 -0.09 0.00 -0.00 0.00 0.00 57.88 57.98 1iyg h LEU 69 Cb 0.97 0.59 -0.01 0.00 -0.00 0.00 0.00 40.66 42.21 1iyg h LEU 69 CO 0.00 -0.37 -0.43 1.55 -0.00 0.00 0.00 178.44 179.20 1iyg h PRO 70 N -0.40 0.00 -0.85 1.13 0.13 -1.78 -2.85 132.00 127.38 1iyg h PRO 70 Ca 0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.01 1iyg h PRO 70 Cb 0.53 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.56 1iyg h PRO 70 CO -0.43 0.43 0.21 1.63 -0.23 0.00 0.00 178.00 179.61 1iyg n LYS 71 N -3.41 2.83 -0.02 0.86 5.02 -0.45 -4.90 118.16 118.10 1iyg n LYS 71 Ca 0.01 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 1iyg n LYS 71 Cb 0.59 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.07 -0.10 1.08 0.72 0.00 0.50 -4.86 105.19 102.47 1iyg n GLY 72 Ca 0.29 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1iyg n GLY 72 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyg n SER 73 N -0.25 0.56 0.00 1.61 2.88 -1.26 -5.06 113.62 112.10 1iyg n SER 73 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1iyg n SER 73 Cb 0.00 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1iyg n SER 73 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1iyg n LYS 74 N -3.25 0.00 0.00 -1.46 4.81 -1.26 -4.91 118.16 112.08 1iyg n LYS 74 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1iyg n LYS 74 Cb 0.22 0.00 0.65 0.00 0.02 0.00 0.00 35.03 35.91 1iyg n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1iyg n GLU 75 N 0.00 0.41 0.12 1.64 1.02 -1.26 -2.39 120.64 120.18 1iyg n GLU 75 Ca 0.00 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1iyg n GLU 75 Cb 0.00 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.02 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 5.08 -1.98 -3.27 114.58 117.90 1iyg h GLU 76 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1iyg h GLU 76 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1iyg h GLU 76 CO 0.00 0.00 -0.31 1.96 -1.00 0.00 0.00 179.01 179.66 1iyg h GLN 77 N 0.00 0.00 -0.03 2.33 4.20 -1.80 -2.52 115.11 117.28 1iyg h GLN 77 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1iyg h GLN 77 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1iyg h GLN 77 CO 0.00 0.31 -0.08 0.00 -0.67 0.00 0.00 178.83 178.39 1iyg h ARG 78 N 0.00 0.11 0.00 1.46 -0.00 -1.70 -2.03 114.38 112.22 1iyg h ARG 78 Ca -0.00 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.39 1iyg h ARG 78 Cb 0.98 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.96 1iyg h ARG 78 CO 0.04 0.68 -0.06 -0.44 0.00 0.00 0.00 179.97 180.18 1iyg h ASP 79 N -0.43 0.00 0.00 7.04 3.32 -1.67 -2.54 116.42 122.14 1iyg h ASP 79 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iyg h ASP 79 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1iyg h ASP 79 CO 0.02 0.06 0.00 -1.22 -1.72 0.00 0.00 179.24 176.38 1iyg n TYR 80 N -3.28 0.00 -0.34 4.55 4.01 -0.95 -3.54 117.16 117.61 1iyg n TYR 80 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.76 1iyg n TYR 80 Cb 0.26 -0.11 0.09 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.82 -0.42 -0.37 -0.72 0.31 -0.77 0.22 118.33 115.75 1iyg n VAL 81 Ca 0.00 2.10 0.35 0.00 -0.01 0.00 0.00 64.34 66.78 1iyg n VAL 81 Cb 0.00 -2.86 0.61 0.00 -0.91 0.00 0.00 33.84 30.68 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 -5.43 0.95 -0.04 3.52 7.35 -0.96 0.24 117.46 123.10 1iyg n PHE 82 Ca 0.13 0.96 -0.19 0.00 -0.76 0.00 0.00 57.45 57.59 1iyg n PHE 82 Cb 0.42 -1.38 -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 0.21 -1.14 -5.13 0.05 0.26 -3.07 116.97 108.15 1iyg h TYR 83 Ca 0.84 -0.16 0.34 0.00 0.05 0.00 0.00 58.73 59.80 1iyg h TYR 83 Cb 2.43 -0.01 -0.11 0.00 1.01 0.00 0.00 36.73 40.05 1iyg h TYR 83 CO -0.01 1.31 0.73 -0.07 -1.05 0.00 0.00 178.16 179.07 1iyg h LEU 84 N -0.70 0.37 -0.20 3.88 4.07 0.97 1.89 115.31 125.59 1iyg h LEU 84 Ca -0.19 0.12 -0.22 0.00 0.08 0.00 0.00 57.88 57.67 1iyg h LEU 84 Cb 1.39 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.20 1iyg h LEU 84 CO -0.01 -0.04 -0.92 0.00 -1.08 0.00 0.00 178.44 176.39 1iyg h ALA 85 N 1.64 0.39 -0.31 1.53 0.00 -0.90 0.17 119.26 121.77 1iyg h ALA 85 Ca 0.70 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1iyg h ALA 85 Cb 1.94 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1iyg h ALA 85 CO -0.38 0.81 -0.02 0.28 0.00 0.00 0.00 179.25 179.94 1iyg h VAL 86 N 0.24 1.26 -0.11 0.00 2.07 0.26 0.17 116.25 120.15 1iyg h VAL 86 Ca -0.07 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 1iyg h VAL 86 Cb 1.55 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1iyg h VAL 86 CO 0.16 0.32 -0.22 1.23 0.02 0.00 0.00 177.57 179.08 1iyg h GLY 87 N 0.35 0.37 0.84 2.17 0.00 0.62 -2.67 103.07 104.76 1iyg h GLY 87 Ca 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1iyg h GLY 87 CO 0.02 0.39 0.17 3.43 0.00 0.00 0.00 176.54 180.56 1iyg h ASN 88 N -0.10 0.26 -0.63 0.19 2.35 -0.64 -2.17 115.58 114.85 1iyg h ASN 88 Ca 0.00 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1iyg h ASN 88 Cb 0.81 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.07 1iyg h ASN 88 CO 0.05 0.19 0.24 0.22 -1.65 0.00 0.00 177.43 176.48 1iyg h TYR 89 N 0.36 0.42 -0.79 1.19 3.20 -0.67 0.18 116.97 120.86 1iyg h TYR 89 Ca 0.14 0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.22 1iyg h TYR 89 Cb 0.05 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1iyg h TYR 89 CO -0.10 0.10 0.53 -0.09 -1.64 0.00 0.00 178.16 176.97 1iyg h ARG 90 N 0.42 0.29 -0.75 1.82 1.12 -1.03 1.28 114.38 117.52 1iyg h ARG 90 Ca 0.32 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.17 1iyg h ARG 90 Cb 0.39 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1iyg h ARG 90 CO -0.31 0.19 0.00 1.28 -3.11 0.00 0.00 179.97 178.02 1iyg n LEU 91 N -4.45 3.14 -1.71 3.80 4.77 0.38 -4.83 117.00 118.10 1iyg n LEU 91 Ca 0.16 -1.59 -0.19 0.00 -0.03 0.00 0.00 56.01 54.36 1iyg n LEU 91 Cb 0.65 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1iyg n LEU 91 CO 0.33 0.44 -0.19 1.17 -1.33 0.00 0.00 177.39 177.81 1iyg n LYS 92 N 0.33 -1.49 -1.29 3.23 0.00 0.44 -4.82 118.16 114.55 1iyg n LYS 92 Ca 0.13 1.06 -0.22 0.00 0.00 0.00 0.00 58.31 59.27 1iyg n LYS 92 Cb 0.66 -5.46 -0.05 0.00 0.00 0.00 0.00 35.03 30.18 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1iyg n GLU 93 N -2.37 2.21 -0.30 1.64 -0.58 0.25 -4.67 120.64 116.82 1iyg n GLU 93 Ca -0.19 -1.97 0.06 0.00 -0.42 0.00 0.00 57.16 54.64 1iyg n GLU 93 Cb 0.62 -2.00 0.16 0.00 -0.57 0.00 0.00 31.44 29.64 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 2.68 -0.26 0.00 -0.32 0.05 -1.83 -0.26 116.97 117.03 1iyg h TYR 94 Ca 0.34 0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1iyg h TYR 94 Cb 0.87 0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1iyg h TYR 94 CO 1.36 -0.34 0.00 0.39 -1.05 0.00 0.00 178.16 178.52 1iyg n GLU 95 N -5.48 0.00 -0.07 4.88 -0.58 -1.26 0.43 120.64 118.56 1iyg n GLU 95 Ca 0.15 0.75 -0.07 0.00 -0.42 0.00 0.00 57.16 57.57 1iyg n GLU 95 Cb 0.51 -1.22 -0.01 0.00 -0.57 0.00 0.00 31.44 30.15 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 -0.13 0.00 3.49 6.56 -1.82 -0.73 116.57 123.95 1iyg h LYS 96 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1iyg h LYS 96 Cb 0.00 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1iyg h LYS 96 CO 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 179.45 177.30 1iyg n ALA 97 N -2.71 0.00 -0.04 3.86 0.00 -0.16 0.71 120.51 122.17 1iyg n ALA 97 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1iyg n ALA 97 Cb 0.24 0.45 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.38 -1.62 0.00 -0.00 0.27 1.65 115.31 114.23 1iyg h LEU 98 Ca 0.00 0.17 0.51 0.00 -0.00 0.00 0.00 57.88 58.56 1iyg h LEU 98 Cb 0.00 0.55 -0.10 0.00 -0.00 0.00 0.00 40.66 41.10 1iyg h LEU 98 CO 0.00 -0.36 1.12 0.29 -0.00 0.00 0.00 178.44 179.49 1iyg n LYS 99 N -4.79 -0.02 0.02 1.13 5.02 -0.31 0.22 118.16 119.44 1iyg n LYS 99 Ca -0.04 1.12 -0.22 0.00 -2.02 0.00 0.00 58.31 57.15 1iyg n LYS 99 Cb 0.29 -2.39 -0.14 0.00 -0.02 0.00 0.00 35.03 32.77 1iyg n LYS 99 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1iyg h TYR 100 N 0.00 0.54 0.09 2.13 0.05 0.60 -3.16 116.97 117.23 1iyg h TYR 100 Ca 0.88 -0.40 -0.00 0.00 0.05 0.00 0.00 58.73 59.25 1iyg h TYR 100 Cb 3.20 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 40.91 1iyg h TYR 100 CO -0.00 1.73 -0.04 0.28 -1.05 0.00 0.00 178.16 179.07 1iyg h VAL 101 N 0.02 1.09 -0.71 -2.88 2.07 1.37 -0.48 116.25 116.73 1iyg h VAL 101 Ca -0.39 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.55 1iyg h VAL 101 Cb 2.01 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.26 1iyg h VAL 101 CO 0.11 0.17 0.47 0.03 0.02 0.00 0.00 177.57 178.36 1iyg h ARG 102 N -0.44 0.57 0.00 1.57 2.47 0.25 0.73 114.38 119.53 1iyg h ARG 102 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1iyg h ARG 102 Cb 0.37 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1iyg h ARG 102 CO 0.02 0.38 0.00 0.41 0.56 0.00 0.00 179.97 181.34 1iyg n GLY 103 N -1.48 -1.63 0.11 0.04 0.00 -1.08 -3.29 105.19 97.86 1iyg n GLY 103 Ca 0.12 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1iyg n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iyg n LEU 104 N -2.15 1.88 -0.15 0.99 -0.00 0.14 -4.09 117.00 113.61 1iyg n LEU 104 Ca 0.05 0.44 0.28 0.00 -0.00 0.00 0.00 56.01 56.79 1iyg n LEU 104 Cb 0.40 -0.90 0.66 0.00 -0.00 0.00 0.00 43.42 43.58 1iyg n LEU 104 CO 0.29 0.17 1.26 -0.07 -0.00 0.00 0.00 177.39 179.04 1iyg h LEU 105 N -1.00 0.00 -0.01 -1.96 -0.00 0.13 0.40 115.31 112.87 1iyg h LEU 105 Ca -0.34 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.54 1iyg h LEU 105 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1iyg h LEU 105 CO -0.21 0.00 -0.12 1.56 -0.00 0.00 0.00 178.44 179.67 1iyg h GLN 106 N 0.00 -0.14 -0.00 1.13 4.20 -1.70 1.33 115.11 119.94 1iyg h GLN 106 Ca 0.42 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1iyg h GLN 106 Cb 2.08 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.90 1iyg h GLN 106 CO -0.00 -0.09 -0.01 -2.37 -0.67 0.00 0.00 178.83 175.68 1iyg n THR 107 N -3.20 0.00 -3.18 -0.54 5.66 -0.51 -3.87 114.28 108.64 1iyg n THR 107 Ca -0.02 -0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.77 1iyg n THR 107 Cb 0.09 -0.46 -0.04 0.00 -1.55 0.00 0.00 70.33 68.36 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 -1.25 1.19 0.06 1.09 -0.58 0.02 -4.91 120.64 116.26 1iyg n GLU 108 Ca 0.15 -3.54 -0.12 0.00 -0.42 0.00 0.00 57.16 53.23 1iyg n GLU 108 Cb 0.24 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 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 3.34 0.40 -0.21 3.49 0.13 0.16 -3.19 132.00 136.11 1iyg h PRO 109 Ca 0.10 -0.39 -0.14 0.00 -0.87 0.00 0.00 66.00 64.70 1iyg h PRO 109 Cb 0.88 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1iyg h PRO 109 CO 0.54 1.05 -0.44 -0.56 -0.23 0.00 0.00 178.00 178.35 1iyg h GLN 110 N 0.24 0.52 -6.08 0.86 3.07 -1.91 -3.44 115.11 108.38 1iyg h GLN 110 Ca -0.06 -0.28 -0.78 0.00 0.09 0.00 0.00 58.65 57.61 1iyg h GLN 110 Cb 1.48 0.01 0.01 0.00 0.08 0.00 0.00 27.48 29.05 1iyg h GLN 110 CO 0.15 0.87 0.89 -1.71 0.09 0.00 0.00 178.83 179.12 1iyg n ASN 111 N -4.01 1.88 0.13 0.06 2.85 -1.21 -4.82 115.26 110.15 1iyg n ASN 111 Ca -0.02 1.05 -0.22 0.00 -0.11 0.00 0.00 54.58 55.28 1iyg n ASN 111 Cb 0.54 -1.04 -0.15 0.00 1.24 0.00 0.00 39.78 40.36 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 6.91 0.76 -0.52 1.20 2.35 -1.89 -2.30 115.58 122.09 1iyg h ASN 112 Ca -0.42 -0.79 0.10 0.00 -0.55 0.00 0.00 56.30 54.63 1iyg h ASN 112 Cb 1.34 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 1iyg h ASN 112 CO 0.98 1.61 0.36 1.56 -1.65 0.00 0.00 177.43 180.29 1iyg h GLN 113 N 0.15 0.29 0.16 0.81 4.20 -1.91 0.22 115.11 119.03 1iyg h GLN 113 Ca -0.22 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.24 1iyg h GLN 113 Cb 2.08 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 29.82 1iyg h GLN 113 CO 0.26 0.19 -1.08 0.00 -0.67 0.00 0.00 178.83 177.53 1iyg h ALA 114 N 1.73 -0.04 0.42 3.87 0.00 -1.89 -3.12 119.26 120.22 1iyg h ALA 114 Ca 0.24 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1iyg h ALA 114 Cb 0.57 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1iyg h ALA 114 CO -0.05 0.54 -0.41 0.87 0.00 0.00 0.00 179.25 180.20 1iyg h LYS 115 N -0.26 -0.79 -0.62 0.00 1.57 -0.66 -0.47 116.57 115.33 1iyg h LYS 115 Ca -0.20 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1iyg h LYS 115 Cb 1.77 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 34.16 1iyg h LYS 115 CO 0.15 -0.53 -0.52 0.93 -0.57 0.00 0.00 179.45 178.92 1iyg h GLU 116 N -0.82 -0.23 -0.39 3.15 5.08 -0.76 -0.88 114.58 119.72 1iyg h GLU 116 Ca -0.05 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1iyg h GLU 116 Cb 0.71 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 1iyg h GLU 116 CO -0.05 -0.15 -0.44 1.25 -1.00 0.00 0.00 179.01 178.63 1iyg h LEU 117 N -0.24 -1.48 -1.65 1.33 5.85 -1.44 1.41 115.31 119.09 1iyg h LEU 117 Ca 0.14 0.20 0.49 0.00 0.84 0.00 0.00 57.88 59.55 1iyg h LEU 117 Cb 0.54 0.62 -0.11 0.00 0.37 0.00 0.00 40.66 42.08 1iyg h LEU 117 CO -0.72 -0.29 1.07 -0.08 -0.34 0.00 0.00 178.44 178.08 1iyg h GLU 118 N -0.25 0.03 0.08 1.25 4.22 0.24 0.80 114.58 120.95 1iyg h GLU 118 Ca 0.07 -0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.31 1iyg h GLU 118 Cb 0.43 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1iyg h GLU 118 CO -0.51 0.02 -0.98 -0.09 -2.18 0.00 0.00 179.01 175.27 1iyg h ARG 119 N 0.03 0.16 -0.16 1.92 9.65 0.17 -3.14 114.38 123.02 1iyg h ARG 119 Ca 0.86 -0.28 0.02 0.00 -1.10 0.00 0.00 59.98 59.48 1iyg h ARG 119 Cb 3.06 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 31.71 1iyg h ARG 119 CO -0.26 1.13 -0.23 -0.07 2.80 0.00 0.00 179.97 183.35 1iyg h LEU 120 N -0.58 -0.76 -1.01 3.80 3.38 0.82 0.22 115.31 121.18 1iyg h LEU 120 Ca -0.22 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.07 1iyg h LEU 120 Cb 1.51 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 42.45 1iyg h LEU 120 CO 0.02 -0.17 0.61 0.40 0.09 0.00 0.00 178.44 179.39 1iyg h ILE 121 N -0.17 0.63 -0.95 1.22 2.04 -1.33 0.34 117.51 119.29 1iyg h ILE 121 Ca 0.03 -0.23 0.30 0.00 1.00 0.00 0.00 64.86 65.95 1iyg h ILE 121 Cb 0.25 -0.11 -0.16 0.00 -0.74 0.00 0.00 36.82 36.06 1iyg h ILE 121 CO -0.24 0.12 0.32 -0.78 0.00 0.00 0.00 178.15 177.58 1iyg h ASP 122 N 0.68 0.07 0.16 1.72 3.58 -0.53 0.42 116.42 122.52 1iyg h ASP 122 Ca 0.61 0.23 -0.29 0.00 0.42 0.00 0.00 57.03 58.00 1iyg h ASP 122 Cb 1.05 0.29 0.01 0.00 1.72 0.00 0.00 39.33 42.40 1iyg h ASP 122 CO -0.42 -0.25 -1.39 0.11 -2.88 0.00 0.00 179.24 174.40 1iyg h LYS 123 N 0.15 0.33 -1.30 0.28 1.57 0.14 -3.29 116.57 114.45 1iyg h LYS 123 Ca 0.66 -0.57 0.38 0.00 -1.87 0.00 0.00 60.65 59.25 1iyg h LYS 123 Cb 1.49 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.94 1iyg h LYS 123 CO -0.73 1.27 0.91 0.00 -0.57 0.00 0.00 179.45 180.34 1iyg h ALA 124 N 0.04 3.03 -0.14 3.86 0.00 0.16 0.98 119.26 127.19 1iyg h ALA 124 Ca -0.28 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1iyg h ALA 124 Cb 1.88 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1iyg h ALA 124 CO 0.14 -1.45 -0.33 0.52 0.00 0.00 0.00 179.25 178.12 1iyg h MET 125 N 0.09 0.47 -0.23 0.00 2.86 -0.45 -2.89 114.93 114.78 1iyg h MET 125 Ca 0.67 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1iyg h MET 125 Cb 2.41 0.05 0.00 0.00 0.06 0.00 0.00 31.60 34.11 1iyg h MET 125 CO -0.12 0.93 0.00 1.63 1.06 0.00 0.00 176.91 180.41 1iyg n LYS 126 N -4.36 1.57 -3.43 1.72 4.76 0.27 -4.62 118.16 114.07 1iyg n LYS 126 Ca -0.07 -0.88 -0.44 0.00 -2.87 0.00 0.00 58.31 54.06 1iyg n LYS 126 Cb 0.49 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 32.41 1iyg n LYS 126 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1iyg s LYS 127 N -1.69 3.00 0.30 1.97 1.02 0.27 -5.05 119.74 119.56 1iyg s LYS 127 Ca 0.19 -2.05 -0.27 0.00 0.02 0.00 0.00 55.97 53.86 1iyg s LYS 127 Cb 0.10 -4.18 -0.14 0.00 -0.52 0.00 0.00 37.83 33.09 1iyg s LYS 127 CO 0.13 -1.26 0.87 0.43 -0.92 0.00 0.00 175.35 174.59 1iyg n SER 128 N 4.57 0.58 -3.44 2.83 7.64 -1.26 -4.89 113.62 119.64 1iyg n SER 128 Ca -0.01 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.87 1iyg n SER 128 Cb 0.42 -1.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.38 1iyg n SER 128 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1iyg s GLY 129 N -0.70 -0.59 0.85 0.23 0.00 -1.26 -5.15 107.32 100.70 1iyg s GLY 129 Ca 0.60 0.53 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 1iyg s GLY 129 CO 0.59 0.21 1.12 2.56 0.00 0.00 0.00 173.10 177.57 1iyg s PRO 130 N -3.50 1.64 0.32 2.90 0.04 -1.26 -4.89 135.00 130.24 1iyg s PRO 130 Ca -0.00 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1iyg s PRO 130 Cb -0.01 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1iyg s PRO 130 CO -0.11 -1.89 0.00 0.45 0.04 0.00 0.00 177.00 175.49 1iyg n SER 131 N -3.59 -6.82 0.00 6.66 2.88 -1.26 -5.03 113.62 106.46 1iyg n SER 131 Ca 0.07 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1iyg n SER 131 Cb 0.58 -3.56 0.00 0.00 -0.75 0.00 0.00 64.21 60.47 1iyg n SER 131 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1iyg n SER 132 N -3.73 0.00 0.00 -3.46 3.41 -1.26 -5.18 113.62 103.40 1iyg n SER 132 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1iyg n SER 132 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49