#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 1.16 -0.57 1.61 0.01 -1.26 -5.10 113.70 109.55 1iyg s SER 2 Ca 0.00 -1.67 -0.26 0.00 1.31 0.00 0.00 55.95 55.32 1iyg s SER 2 Cb 0.00 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.80 1iyg s SER 2 CO 0.00 -0.25 1.09 -0.44 0.41 0.00 0.00 173.24 174.05 1iyg s SER 3 N 1.34 6.40 0.00 2.44 0.01 -1.26 -4.97 113.70 117.66 1iyg s SER 3 Ca 0.18 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1iyg s SER 3 Cb -0.15 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1iyg s SER 3 CO -0.03 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.86 1iyg n GLY 4 N 5.09 6.84 1.90 3.44 0.00 -1.26 -5.11 105.19 116.09 1iyg n GLY 4 Ca 0.06 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1iyg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyg n SER 5 N 0.00 0.00 -4.74 1.61 2.88 -1.26 -5.11 113.62 107.00 1iyg n SER 5 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1iyg n SER 5 Cb 0.00 0.44 -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 -0.44 -1.23 0.00 0.00 175.04 173.37 1iyg s SER 6 N -1.07 7.31 0.00 -3.46 0.01 -1.26 -4.88 113.70 110.35 1iyg s SER 6 Ca 0.00 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1iyg s SER 6 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1iyg s SER 6 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1iyg n GLY 7 N 2.07 -0.51 0.09 3.44 0.00 -1.26 -4.91 105.19 104.11 1iyg n GLY 7 Ca 0.03 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 1iyg n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1iyg h MET 8 N 0.00 -0.14 0.00 1.61 0.00 -1.90 1.55 114.93 116.05 1iyg h MET 8 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.71 1iyg h MET 8 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 31.60 31.63 1iyg h MET 8 CO 0.00 -0.08 0.19 1.49 0.00 0.00 0.00 176.91 178.51 1iyg h GLU 9 N -0.17 0.00 0.00 1.72 4.81 -1.94 1.34 114.58 120.33 1iyg h GLU 9 Ca -0.02 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.93 1iyg h GLU 9 Cb 0.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1iyg h GLU 9 CO 0.02 0.00 -1.93 0.00 -0.73 0.00 0.00 179.01 176.38 1iyg n ALA 10 N -1.78 1.11 -0.33 2.92 0.00 -0.40 -3.44 120.51 118.58 1iyg n ALA 10 Ca -0.02 -0.98 0.01 0.00 0.00 0.00 0.00 53.44 52.45 1iyg n ALA 10 Cb 0.22 0.10 0.14 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.98 1.09 0.00 0.00 2.07 0.28 1.51 116.25 120.22 1iyg h VAL 11 Ca -0.43 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1iyg h VAL 11 Cb 1.37 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1iyg h VAL 11 CO -0.26 0.20 -0.39 0.25 0.02 0.00 0.00 177.57 177.39 1iyg h LEU 12 N 1.08 0.00 0.00 2.57 5.85 0.16 -3.34 115.31 121.63 1iyg h LEU 12 Ca 0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1iyg h LEU 12 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1iyg h LEU 12 CO -0.16 0.39 0.00 0.59 -0.34 0.00 0.00 178.44 178.92 1iyg n ASN 13 N -3.58 0.00 -4.40 1.25 5.03 0.40 -4.85 115.26 109.10 1iyg n ASN 13 Ca -0.00 0.39 -0.61 0.00 0.87 0.00 0.00 54.58 55.22 1iyg n ASN 13 Cb 0.51 -0.43 -0.09 0.00 -1.02 0.00 0.00 39.78 38.75 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 -1.84 0.00 -2.79 3.52 2.13 0.49 -4.92 120.64 117.23 1iyg n GLU 14 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1iyg n GLU 14 Cb 0.00 -1.42 0.03 0.00 0.27 0.00 0.00 31.44 30.32 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1iyg s LEU 15 N 1.84 3.43 0.28 4.31 1.43 -1.26 -4.84 118.68 123.86 1iyg s LEU 15 Ca 0.95 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.89 1iyg s LEU 15 Cb -1.34 -2.89 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 1iyg s LEU 15 CO 0.69 -0.98 0.67 0.54 0.23 0.00 0.00 176.35 177.51 1iyg s VAL 16 N -2.64 4.76 0.06 -1.59 0.11 -0.90 -4.92 120.40 115.29 1iyg s VAL 16 Ca 0.55 0.81 -0.09 0.00 -2.93 0.00 0.00 61.98 60.32 1iyg s VAL 16 Cb -0.10 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.07 1iyg s VAL 16 CO 0.37 -0.11 0.36 -0.44 -3.33 0.00 0.00 175.10 171.95 1iyg s SER 17 N -2.25 6.59 0.32 3.54 0.01 -1.26 -4.75 113.70 115.91 1iyg s SER 17 Ca 0.51 0.72 0.04 0.00 1.31 0.00 0.00 55.95 58.53 1iyg s SER 17 Cb -0.11 -2.15 0.65 0.00 0.21 0.00 0.00 66.02 64.63 1iyg s SER 17 CO 0.19 0.20 1.88 0.58 0.41 0.00 0.00 173.24 176.50 1iyg h VAL 18 N 2.91 0.94 -0.18 3.43 2.07 -1.97 -0.33 116.25 123.12 1iyg h VAL 18 Ca -0.49 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1iyg h VAL 18 Cb 1.19 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1iyg h VAL 18 CO 0.66 0.16 -0.34 -0.33 0.02 0.00 0.00 177.57 177.74 1iyg h GLU 19 N 0.88 -0.37 0.57 1.57 5.08 -1.98 0.78 114.58 121.11 1iyg h GLU 19 Ca 0.43 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 1iyg h GLU 19 Cb 0.46 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1iyg h GLU 19 CO -0.19 -0.25 -0.27 -0.44 -1.00 0.00 0.00 179.01 176.85 1iyg h ASP 20 N -0.39 -0.65 -1.47 1.42 3.32 -1.74 0.52 116.42 117.43 1iyg h ASP 20 Ca 0.11 0.02 0.47 0.00 0.02 0.00 0.00 57.03 57.65 1iyg h ASP 20 Cb 0.56 0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.16 1iyg h ASP 20 CO -0.40 -0.39 0.99 0.25 -1.72 0.00 0.00 179.24 177.97 1iyg h LEU 21 N -0.91 0.17 0.13 1.55 7.12 -0.93 1.51 115.31 123.95 1iyg h LEU 21 Ca -0.08 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 1iyg h LEU 21 Cb 0.59 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1iyg h LEU 21 CO 0.13 -0.15 -0.06 0.11 -0.13 0.00 0.00 178.44 178.33 1iyg h LYS 22 N 0.05 -0.17 -1.02 1.25 1.79 0.93 0.14 116.57 119.53 1iyg h LYS 22 Ca 0.85 0.01 0.27 0.00 -2.18 0.00 0.00 60.65 59.60 1iyg h LYS 22 Cb 2.89 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 33.45 1iyg h LYS 22 CO -0.32 -0.11 0.61 -0.91 -1.08 0.00 0.00 179.45 177.63 1iyg h ASN 23 N -0.77 0.60 1.18 0.86 2.35 0.30 1.27 115.58 121.37 1iyg h ASN 23 Ca -0.02 0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1iyg h ASN 23 Cb 0.13 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1iyg h ASN 23 CO 0.03 0.04 -0.60 -0.26 -1.65 0.00 0.00 177.43 175.00 1iyg h PHE 24 N 0.49 0.00 -0.23 1.19 -1.00 0.19 -2.90 116.94 114.68 1iyg h PHE 24 Ca 0.66 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.35 1iyg h PHE 24 Cb 1.40 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.96 1iyg h PHE 24 CO -0.01 0.60 -0.20 1.49 -1.61 0.00 0.00 178.31 178.58 1iyg h GLU 25 N 0.00 0.54 0.53 1.51 4.81 0.43 -2.97 114.58 119.44 1iyg h GLU 25 Ca -0.01 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1iyg h GLU 25 Cb 1.35 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.74 1iyg h GLU 25 CO 0.08 0.86 -0.25 0.00 -0.73 0.00 0.00 179.01 178.96 1iyg h ARG 26 N 0.24 -0.68 -0.99 1.92 3.08 -0.69 -2.59 114.38 114.67 1iyg h ARG 26 Ca 0.04 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.39 1iyg h ARG 26 Cb 0.75 0.15 -0.18 0.00 0.08 0.00 0.00 29.97 30.77 1iyg h ARG 26 CO 0.05 -0.40 -0.03 -0.22 -1.07 0.00 0.00 179.97 178.31 1iyg h LYS 27 N -0.85 0.00 0.62 0.04 3.11 -1.57 0.35 116.57 118.27 1iyg h LYS 27 Ca -0.07 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 1iyg h LYS 27 Cb 0.60 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.81 1iyg h LYS 27 CO 0.12 0.00 -0.51 0.35 -2.81 0.00 0.00 179.45 176.61 1iyg h PHE 28 N 0.00 -1.38 0.19 1.91 3.57 -1.33 0.48 116.94 120.38 1iyg h PHE 28 Ca 0.58 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.08 1iyg h PHE 28 Cb 1.14 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 40.38 1iyg h PHE 28 CO -0.55 -0.70 -0.31 1.96 -2.23 0.00 0.00 178.31 176.48 1iyg h GLN 29 N -1.10 -0.50 -0.11 1.11 4.20 -0.16 -0.19 115.11 118.36 1iyg h GLN 29 Ca -0.08 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1iyg h GLN 29 Cb 0.92 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1iyg h GLN 29 CO 0.00 -0.34 -0.07 1.03 -0.67 0.00 0.00 178.83 178.78 1iyg h SER 30 N -0.52 -0.26 -1.55 1.46 0.87 -0.49 1.17 113.55 114.21 1iyg h SER 30 Ca -0.02 0.04 0.46 0.00 -1.23 0.00 0.00 61.79 61.04 1iyg h SER 30 Cb 0.49 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.48 1iyg h SER 30 CO -0.10 -0.03 1.10 -0.33 -0.53 0.00 0.00 176.83 176.93 1iyg h GLU 31 N -0.01 0.03 0.86 2.24 5.08 -0.82 0.43 114.58 122.38 1iyg h GLU 31 Ca 0.02 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1iyg h GLU 31 Cb 0.06 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1iyg h GLU 31 CO -0.11 0.02 -0.41 0.37 -1.00 0.00 0.00 179.01 177.88 1iyg h GLN 32 N 0.03 -1.11 0.00 2.33 4.15 0.33 -2.13 115.11 118.71 1iyg h GLN 32 Ca 0.77 0.08 0.00 0.00 0.77 0.00 0.00 58.65 60.27 1iyg h GLN 32 Cb 2.96 0.25 0.00 0.00 0.21 0.00 0.00 27.48 30.90 1iyg h GLN 32 CO -0.08 -0.74 0.00 0.00 -1.93 0.00 0.00 178.83 176.08 1iyg n ALA 33 N -2.68 1.67 -0.03 3.38 0.00 0.72 -2.26 120.51 121.31 1iyg n ALA 33 Ca -0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 1iyg n ALA 33 Cb 0.45 -1.22 -0.09 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 2.52 0.17 0.00 0.00 0.00 0.23 -3.47 119.26 118.70 1iyg h ALA 34 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1iyg h ALA 34 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1iyg h ALA 34 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1iyg n GLY 35 N 0.66 0.54 0.00 0.00 0.00 -0.85 -5.07 105.19 100.47 1iyg n GLY 35 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1iyg n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iyg n SER 36 N 0.00 0.00 -4.74 1.61 3.41 -0.88 -4.99 113.62 108.03 1iyg n SER 36 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1iyg n SER 36 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1iyg n SER 36 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1iyg n VAL 37 N 0.00 1.40 -2.89 -3.33 0.31 -1.23 -4.76 118.33 107.83 1iyg n VAL 37 Ca 0.00 -0.35 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 1iyg n VAL 37 Cb 0.00 -1.88 -0.04 0.00 -0.91 0.00 0.00 33.84 31.01 1iyg n VAL 37 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1iyg s SER 38 N 0.21 6.56 0.48 4.52 0.01 -1.26 -4.91 113.70 119.31 1iyg s SER 38 Ca 0.60 1.16 0.26 0.00 1.31 0.00 0.00 55.95 59.28 1iyg s SER 38 Cb -0.51 -2.33 1.31 0.00 0.21 0.00 0.00 66.02 64.70 1iyg s SER 38 CO 0.55 -0.37 1.85 0.07 0.41 0.00 0.00 173.24 175.74 1iyg h LYS 39 N 1.40 0.18 0.00 12.44 -0.00 -1.98 -0.36 116.57 128.25 1iyg h LYS 39 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1iyg h LYS 39 Cb 1.19 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 1iyg h LYS 39 CO 0.64 0.12 0.00 -1.13 -0.00 0.00 0.00 179.45 179.08 1iyg n SER 40 N -4.39 0.00 -0.35 7.07 3.41 -1.26 0.13 113.62 118.24 1iyg n SER 40 Ca 0.21 0.42 0.28 0.00 -0.26 0.00 0.00 58.87 59.51 1iyg n SER 40 Cb 0.91 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.40 1iyg n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1iyg h THR 41 N 0.00 0.20 0.77 6.66 2.02 -1.91 0.99 112.91 121.64 1iyg h THR 41 Ca 0.00 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1iyg h THR 41 Cb 0.00 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1iyg h THR 41 CO 0.00 0.04 -0.37 -0.61 0.37 0.00 0.00 175.52 174.94 1iyg h GLN 42 N 0.20 -1.00 -0.86 6.66 4.15 -0.93 0.24 115.11 123.57 1iyg h GLN 42 Ca 0.78 0.07 0.02 0.00 0.77 0.00 0.00 58.65 60.28 1iyg h GLN 42 Cb 1.96 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 29.83 1iyg h GLN 42 CO -0.62 -0.67 0.57 0.35 -1.93 0.00 0.00 178.83 176.53 1iyg h PHE 43 N -1.07 1.06 0.16 3.99 3.57 0.35 -1.06 116.94 123.92 1iyg h PHE 43 Ca -0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1iyg h PHE 43 Cb 0.80 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1iyg h PHE 43 CO 0.05 0.64 -0.07 0.93 -2.23 0.00 0.00 178.31 177.62 1iyg h GLU 44 N 1.12 -0.20 -0.89 1.11 4.39 1.00 0.06 114.58 121.16 1iyg h GLU 44 Ca 0.33 0.01 0.26 0.00 0.34 0.00 0.00 59.36 60.30 1iyg h GLU 44 Cb -0.06 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1iyg h GLU 44 CO -0.08 -0.13 0.76 -0.92 -1.16 0.00 0.00 179.01 177.48 1iyg h TYR 45 N -0.22 0.00 0.25 4.33 3.20 -0.47 0.26 116.97 124.32 1iyg h TYR 45 Ca -0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1iyg h TYR 45 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1iyg h TYR 45 CO 0.18 0.00 -0.12 0.00 -1.64 0.00 0.00 178.16 176.58 1iyg h ALA 46 N 1.31 -0.34 -0.34 1.82 0.00 -0.87 -0.79 119.26 120.05 1iyg h ALA 46 Ca 0.42 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1iyg h ALA 46 Cb 1.95 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 1iyg h ALA 46 CO -0.00 -0.45 0.23 2.35 0.00 0.00 0.00 179.25 181.37 1iyg h TRP 47 N -0.82 0.33 -0.27 0.00 -0.00 0.13 -0.13 115.95 115.19 1iyg h TRP 47 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.85 1iyg h TRP 47 Cb 0.51 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.55 1iyg h TRP 47 CO 0.05 0.19 0.12 0.00 -0.00 0.00 0.00 178.44 178.80 1iyg h LEU 49 N 0.29 -0.34 -0.84 0.00 3.38 0.47 -0.99 115.31 117.28 1iyg h LEU 49 Ca 0.09 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.29 1iyg h LEU 49 Cb 0.16 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.87 1iyg h LEU 49 CO -0.01 -0.18 -0.01 -0.37 0.09 0.00 0.00 178.44 177.96 1iyg h VAL 50 N -0.28 0.23 -0.92 1.22 -1.51 -1.32 1.60 116.25 115.28 1iyg h VAL 50 Ca -0.02 -0.02 0.22 0.00 -1.23 0.00 0.00 66.70 65.64 1iyg h VAL 50 Cb 0.23 0.15 -0.07 0.00 -2.13 0.00 0.00 31.29 29.48 1iyg h VAL 50 CO -0.00 0.01 0.61 0.03 -1.23 0.00 0.00 177.57 176.99 1iyg h ARG 51 N 0.07 0.34 0.00 5.19 2.47 -0.35 -3.42 114.38 118.68 1iyg h ARG 51 Ca 0.47 -0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 59.01 1iyg h ARG 51 Cb 0.86 -0.08 0.10 0.00 -1.65 0.00 0.00 29.97 29.20 1iyg h ARG 51 CO -0.76 0.23 -0.08 0.45 0.56 0.00 0.00 179.97 180.37 1iyg n SER 52 N -4.49 -2.78 -0.61 7.04 2.88 0.55 -2.11 113.62 114.11 1iyg n SER 52 Ca 0.20 -0.39 0.07 0.00 -1.33 0.00 0.00 58.87 57.43 1iyg n SER 52 Cb 0.76 -0.61 0.07 0.00 -0.75 0.00 0.00 64.21 63.68 1iyg n SER 52 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iyg n LYS 53 N -1.79 1.19 -3.28 -1.46 2.85 -1.26 -4.58 118.16 109.83 1iyg n LYS 53 Ca 0.06 -1.45 -0.32 0.00 -1.05 0.00 0.00 58.31 55.55 1iyg n LYS 53 Cb 0.26 -1.29 -0.06 0.00 -0.65 0.00 0.00 35.03 33.30 1iyg n LYS 53 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1iyg s TYR 54 N -1.19 3.40 -0.12 5.58 1.51 -1.26 -5.01 117.35 120.26 1iyg s TYR 54 Ca 0.18 1.05 -0.21 0.00 -1.01 0.00 0.00 57.07 57.08 1iyg s TYR 54 Cb 0.12 -2.40 -0.27 0.00 -0.11 0.00 0.00 41.96 39.31 1iyg s TYR 54 CO 0.18 0.18 0.61 -0.91 -1.11 0.00 0.00 175.55 174.51 1iyg h ASN 55 N 2.40 0.26 -0.93 2.29 4.21 -1.96 -3.17 115.58 118.68 1iyg h ASN 55 Ca -0.47 -0.85 0.07 0.00 1.21 0.00 0.00 56.30 56.26 1iyg h ASN 55 Cb 1.17 -0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 38.22 1iyg h ASN 55 CO 0.67 1.43 0.60 -0.33 -1.29 0.00 0.00 177.43 178.51 1iyg h GLU 56 N -0.57 1.01 -0.72 0.81 5.08 -2.00 -0.55 114.58 117.65 1iyg h GLU 56 Ca -0.22 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1iyg h GLU 56 Cb 1.51 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1iyg h GLU 56 CO 0.02 0.67 0.34 -0.44 -1.00 0.00 0.00 179.01 178.60 1iyg h ASP 57 N 1.04 0.94 0.08 1.42 5.19 -1.90 -2.57 116.42 120.63 1iyg h ASP 57 Ca 0.40 -0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.70 1iyg h ASP 57 Cb 0.23 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 1iyg h ASP 57 CO -0.16 0.81 -0.24 0.40 -3.12 0.00 0.00 179.24 176.94 1iyg h ILE 58 N 1.00 0.47 -0.76 0.35 2.04 -1.09 -1.34 117.51 118.18 1iyg h ILE 58 Ca 0.25 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.28 1iyg h ILE 58 Cb 0.12 0.47 -0.13 0.00 -0.74 0.00 0.00 36.82 36.55 1iyg h ILE 58 CO -0.03 0.00 0.08 -0.09 0.00 0.00 0.00 178.15 178.11 1iyg h ARG 59 N -0.42 0.15 0.25 2.37 2.43 -1.10 -0.03 114.38 118.04 1iyg h ARG 59 Ca 0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1iyg h ARG 59 Cb 0.46 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1iyg h ARG 59 CO -0.16 0.10 -0.31 0.00 -1.51 0.00 0.00 179.97 178.10 1iyg h ARG 60 N 0.16 -0.59 -0.98 0.20 -0.00 -0.94 -1.79 114.38 110.43 1iyg h ARG 60 Ca 0.43 0.04 0.21 0.00 -0.50 0.00 0.00 59.98 60.16 1iyg h ARG 60 Cb 0.77 0.13 -0.11 0.00 0.00 0.00 0.00 29.97 30.76 1iyg h ARG 60 CO -0.62 -0.39 0.57 0.78 0.00 0.00 0.00 179.97 180.32 1iyg h GLY 61 N -0.61 1.79 0.61 0.04 0.00 -0.01 -0.19 103.07 104.70 1iyg h GLY 61 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1iyg h GLY 61 CO -0.10 -0.15 -0.25 -2.22 0.00 0.00 0.00 176.54 173.82 1iyg h ILE 62 N 0.66 0.45 -0.51 2.60 2.04 -0.29 0.46 117.51 122.91 1iyg h ILE 62 Ca 0.59 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.56 1iyg h ILE 62 Cb 1.02 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 37.44 1iyg h ILE 62 CO -0.43 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.08 1iyg h VAL 63 N -0.49 0.34 0.54 1.67 2.07 -0.42 2.93 116.25 122.89 1iyg h VAL 63 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1iyg h VAL 63 Cb 0.49 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1iyg h VAL 63 CO -0.11 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 177.06 1iyg h LEU 64 N -0.10 -0.88 -0.78 2.57 3.38 -0.77 1.43 115.31 120.17 1iyg h LEU 64 Ca 0.24 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.41 1iyg h LEU 64 Cb 0.47 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 1iyg h LEU 64 CO -0.58 -0.52 0.32 -0.07 0.09 0.00 0.00 178.44 177.67 1iyg h LEU 65 N -0.83 0.29 -0.97 1.67 4.07 0.58 1.74 115.31 121.86 1iyg h LEU 65 Ca -0.07 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1iyg h LEU 65 Cb 0.67 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1iyg h LEU 65 CO 0.07 0.10 0.00 -0.33 -1.08 0.00 0.00 178.44 177.19 1iyg h GLU 66 N 0.45 0.00 0.08 1.13 5.08 0.56 0.15 114.58 122.03 1iyg h GLU 66 Ca 0.43 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.46 1iyg h GLU 66 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1iyg h GLU 66 CO -0.42 0.00 -1.82 0.39 -1.00 0.00 0.00 179.01 176.17 1iyg n GLU 67 N -2.63 0.70 0.12 2.33 1.02 0.49 -3.96 120.64 118.70 1iyg n GLU 67 Ca 0.02 0.35 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 1iyg n GLU 67 Cb 0.28 -1.71 0.44 0.00 -0.02 0.00 0.00 31.44 30.43 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 -3.77 0.79 0.27 -4.62 4.77 0.50 -2.37 117.00 112.56 1iyg n LEU 68 Ca -0.33 0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1iyg n LEU 68 Cb 0.94 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1iyg n LEU 68 CO 0.34 -0.32 0.39 -0.07 -1.33 0.00 0.00 177.39 176.40 1iyg h LEU 69 N 0.00 -0.60 0.00 2.23 3.38 -0.83 1.58 115.31 121.08 1iyg h LEU 69 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iyg h LEU 69 Cb 0.61 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1iyg h LEU 69 CO 0.00 -0.34 0.00 -0.81 0.09 0.00 0.00 178.44 177.38 1iyg n PRO 70 N -4.39 0.54 -0.15 1.13 -0.04 -1.24 -2.14 135.00 128.71 1iyg n PRO 70 Ca -0.09 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1iyg n PRO 70 Cb 0.28 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.14 1.14 -3.91 0.54 5.02 -1.00 -5.05 118.16 113.76 1iyg n LYS 71 Ca 0.14 -2.13 -0.25 0.00 -2.02 0.00 0.00 58.31 54.06 1iyg n LYS 71 Cb 0.13 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.04 3.39 0.00 0.72 0.00 0.54 -4.85 105.19 103.95 1iyg n GLY 72 Ca 0.11 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.45 0.00 -0.08 1.61 2.88 -1.26 -4.94 113.62 110.37 1iyg n SER 73 Ca -0.12 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.19 1iyg n SER 73 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 1iyg n SER 73 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iyg n LYS 74 N 0.00 0.64 -0.03 -1.46 5.02 -1.26 -3.66 118.16 117.41 1iyg n LYS 74 Ca 0.00 0.35 0.06 0.00 -2.02 0.00 0.00 58.31 56.70 1iyg n LYS 74 Cb 0.00 -1.65 0.31 0.00 -0.02 0.00 0.00 35.03 33.67 1iyg n LYS 74 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1iyg n GLU 75 N -3.94 1.19 -0.00 1.97 0.28 -1.26 -2.84 120.64 116.04 1iyg n GLU 75 Ca -0.39 -0.29 0.06 0.00 -0.16 0.00 0.00 57.16 56.38 1iyg n GLU 75 Cb 0.88 -1.21 -0.09 0.00 1.43 0.00 0.00 31.44 32.45 1iyg n GLU 75 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1iyg n GLU 76 N -0.40 1.44 0.09 3.44 -0.58 -1.26 -4.47 120.64 118.91 1iyg n GLU 76 Ca 0.10 -0.07 -0.23 0.00 -0.42 0.00 0.00 57.16 56.54 1iyg n GLU 76 Cb 0.11 -1.21 -0.15 0.00 -0.57 0.00 0.00 31.44 29.62 1iyg n GLU 76 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1iyg h GLN 77 N 0.00 0.41 0.00 3.49 4.20 -1.59 -3.00 115.11 118.62 1iyg h GLN 77 Ca 0.00 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.00 1iyg h GLN 77 Cb 0.46 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1iyg h GLN 77 CO 0.00 1.34 0.00 0.07 -0.67 0.00 0.00 178.83 179.57 1iyg h ARG 78 N -0.09 0.00 0.07 1.46 -0.00 -1.79 0.10 114.38 114.13 1iyg h ARG 78 Ca -0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.45 1iyg h ARG 78 Cb 1.93 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.88 1iyg h ARG 78 CO 0.20 0.00 -1.59 0.22 -0.00 0.00 0.00 179.97 178.80 1iyg h ASP 79 N 0.00 0.24 0.41 0.08 3.58 -1.77 -3.30 116.42 115.66 1iyg h ASP 79 Ca 0.00 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.04 1iyg h ASP 79 Cb 0.01 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1iyg h ASP 79 CO 0.00 1.33 -0.20 1.88 -2.88 0.00 0.00 179.24 179.37 1iyg h TYR 80 N 0.04 -0.51 -0.97 0.28 0.05 -0.75 -3.28 116.97 111.83 1iyg h TYR 80 Ca -0.26 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.69 1iyg h TYR 80 Cb 1.99 0.17 -0.17 0.00 1.01 0.00 0.00 36.73 39.73 1iyg h TYR 80 CO 0.04 -0.32 -0.30 0.28 -1.05 0.00 0.00 178.16 176.81 1iyg n VAL 81 N -5.01 -0.45 -0.32 -2.88 0.31 -0.05 0.15 118.33 110.07 1iyg n VAL 81 Ca -0.07 2.25 0.15 0.00 -0.01 0.00 0.00 64.34 66.67 1iyg n VAL 81 Cb 0.22 -3.06 0.31 0.00 -0.91 0.00 0.00 33.84 30.40 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 0.14 0.02 3.52 3.57 -1.64 0.45 116.94 123.00 1iyg h PHE 82 Ca 0.41 0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.75 1iyg h PHE 82 Cb 0.66 0.09 0.02 0.00 2.79 0.00 0.00 35.95 39.51 1iyg h PHE 82 CO -0.79 -0.37 -0.90 1.88 -2.23 0.00 0.00 178.31 175.90 1iyg h TYR 83 N 0.06 0.86 -0.51 0.41 0.05 0.13 -2.84 116.97 115.13 1iyg h TYR 83 Ca 0.60 -0.48 0.15 0.00 0.05 0.00 0.00 58.73 59.04 1iyg h TYR 83 Cb 1.27 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1iyg h TYR 83 CO -0.39 1.32 0.39 -0.07 -1.05 0.00 0.00 178.16 178.36 1iyg h LEU 84 N 0.16 0.00 0.00 3.88 3.38 0.21 1.20 115.31 124.14 1iyg h LEU 84 Ca -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1iyg h LEU 84 Cb 1.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1iyg h LEU 84 CO 0.18 0.00 -0.50 0.00 0.09 0.00 0.00 178.44 178.21 1iyg h ALA 85 N 1.71 0.77 0.07 1.53 0.00 -0.38 -2.02 119.26 120.94 1iyg h ALA 85 Ca 0.24 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1iyg h ALA 85 Cb 1.02 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1iyg h ALA 85 CO -0.00 0.25 -0.50 0.28 0.00 0.00 0.00 179.25 179.28 1iyg h VAL 86 N 0.00 1.59 -0.04 0.00 2.07 0.14 -2.65 116.25 117.37 1iyg h VAL 86 Ca -0.02 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1iyg h VAL 86 Cb 1.16 3.23 -0.00 0.00 -1.52 0.00 0.00 31.29 34.16 1iyg h VAL 86 CO 0.02 0.66 -0.01 1.23 0.02 0.00 0.00 177.57 179.49 1iyg h GLY 87 N -0.65 0.08 0.57 2.17 0.00 -0.06 -2.56 103.07 102.62 1iyg h GLY 87 Ca -0.09 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1iyg h GLY 87 CO 0.07 0.06 -0.13 3.43 0.00 0.00 0.00 176.54 179.97 1iyg h ASN 88 N -0.26 -0.39 -0.63 0.19 2.35 -1.52 -2.10 115.58 113.22 1iyg h ASN 88 Ca 0.01 0.07 0.13 0.00 -0.55 0.00 0.00 56.30 55.96 1iyg h ASN 88 Cb 0.38 0.18 -0.12 0.00 0.05 0.00 0.00 38.32 38.82 1iyg h ASN 88 CO 0.00 -0.17 -0.12 0.22 -1.65 0.00 0.00 177.43 175.71 1iyg h TYR 89 N -0.17 -0.26 -0.68 1.19 3.20 -1.45 0.77 116.97 119.56 1iyg h TYR 89 Ca 0.07 0.05 0.19 0.00 3.14 0.00 0.00 58.73 62.19 1iyg h TYR 89 Cb 0.28 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1iyg h TYR 89 CO -0.23 -0.25 0.49 -0.09 -1.64 0.00 0.00 178.16 176.44 1iyg h ARG 90 N 0.03 0.04 -0.43 1.82 1.12 -0.96 1.66 114.38 117.66 1iyg h ARG 90 Ca 0.31 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.18 1iyg h ARG 90 Cb 0.48 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1iyg h ARG 90 CO -0.62 0.02 0.00 1.28 -3.11 0.00 0.00 179.97 177.55 1iyg n LEU 91 N -4.35 1.96 -0.07 3.80 4.77 0.25 -4.83 117.00 118.53 1iyg n LEU 91 Ca 0.13 -0.98 -0.01 0.00 -0.03 0.00 0.00 56.01 55.12 1iyg n LEU 91 Cb 0.73 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1iyg n LEU 91 CO 0.37 0.41 -0.01 0.29 -1.33 0.00 0.00 177.39 177.13 1iyg n LYS 92 N 0.37 -1.06 -1.96 3.23 5.02 0.57 -4.88 118.16 119.44 1iyg n LYS 92 Ca 0.11 0.32 -0.42 0.00 -2.02 0.00 0.00 58.31 56.29 1iyg n LYS 92 Cb 0.35 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 31.22 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iyg n GLU 93 N -0.97 3.16 -0.05 1.97 -0.58 -0.06 -4.69 120.64 119.43 1iyg n GLU 93 Ca -0.01 -2.96 -0.01 0.00 -0.42 0.00 0.00 57.16 53.76 1iyg n GLU 93 Cb 0.28 -3.14 0.26 0.00 -0.57 0.00 0.00 31.44 28.27 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 5.88 0.65 0.00 -0.32 0.05 -1.85 -1.49 116.97 119.90 1iyg h TYR 94 Ca 0.50 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.22 1iyg h TYR 94 Cb 0.63 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1iyg h TYR 94 CO 1.38 0.59 0.00 0.39 -1.05 0.00 0.00 178.16 179.47 1iyg n GLU 95 N -4.28 0.00 -0.34 4.88 1.02 -1.26 0.48 120.64 121.13 1iyg n GLU 95 Ca 0.02 0.25 0.20 0.00 -0.02 0.00 0.00 57.16 57.62 1iyg n GLU 95 Cb 0.23 -1.10 0.44 0.00 -0.02 0.00 0.00 31.44 30.99 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 0.47 0.00 3.49 1.79 -1.98 0.20 116.57 120.54 1iyg h LYS 96 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1iyg h LYS 96 Cb 0.00 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1iyg h LYS 96 CO 0.00 0.31 0.00 0.00 -1.08 0.00 0.00 179.45 178.68 1iyg n ALA 97 N -2.36 -0.14 -0.17 3.86 0.00 -0.56 -0.82 120.51 120.32 1iyg n ALA 97 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1iyg n ALA 97 Cb 0.83 0.10 -0.07 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.71 -1.38 0.00 -0.00 0.58 1.11 115.31 113.90 1iyg h LEU 98 Ca 0.00 0.25 0.47 0.00 -0.00 0.00 0.00 57.88 58.59 1iyg h LEU 98 Cb 0.00 0.73 -0.13 0.00 -0.00 0.00 0.00 40.66 41.26 1iyg h LEU 98 CO 0.00 -0.37 0.90 1.17 -0.00 0.00 0.00 178.44 180.14 1iyg n LYS 99 N -5.39 -0.03 0.04 1.13 4.81 0.65 0.23 118.16 119.61 1iyg n LYS 99 Ca -0.01 1.19 -0.22 0.00 -0.87 0.00 0.00 58.31 58.39 1iyg n LYS 99 Cb 0.34 -2.38 -0.14 0.00 0.02 0.00 0.00 35.03 32.87 1iyg n LYS 99 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1iyg h TYR 100 N 0.00 0.61 -0.20 5.64 0.05 0.29 -3.04 116.97 120.31 1iyg h TYR 100 Ca 0.85 -0.44 -0.02 0.00 0.05 0.00 0.00 58.73 59.17 1iyg h TYR 100 Cb 2.81 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 40.52 1iyg h TYR 100 CO -0.01 1.67 0.07 -0.24 -1.05 0.00 0.00 178.16 178.60 1iyg h VAL 101 N -0.01 1.18 -0.32 -2.88 3.04 0.86 -0.68 116.25 117.43 1iyg h VAL 101 Ca -0.35 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 1iyg h VAL 101 Cb 2.00 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 32.44 1iyg h VAL 101 CO 0.13 0.18 0.13 0.03 -1.01 0.00 0.00 177.57 177.03 1iyg h ARG 102 N 0.16 0.45 -0.00 4.17 2.47 0.27 0.51 114.38 122.42 1iyg h ARG 102 Ca 0.07 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1iyg h ARG 102 Cb 0.22 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1iyg h ARG 102 CO -0.00 0.38 -0.01 0.41 0.56 0.00 0.00 179.97 181.30 1iyg n GLY 103 N -1.25 -1.31 0.23 0.04 0.00 -0.93 -3.50 105.19 98.47 1iyg n GLY 103 Ca 0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.32 1.76 -0.47 0.99 -0.00 0.19 -4.39 117.00 113.75 1iyg n LEU 104 Ca 0.13 0.30 0.39 0.00 -0.00 0.00 0.00 56.01 56.83 1iyg n LEU 104 Cb 0.27 -0.72 0.70 0.00 -0.00 0.00 0.00 43.42 43.67 1iyg n LEU 104 CO 0.24 0.37 1.32 -0.07 -0.00 0.00 0.00 177.39 179.26 1iyg h LEU 105 N -0.89 0.15 -0.13 -1.96 -0.00 -0.19 0.13 115.31 112.42 1iyg h LEU 105 Ca -0.52 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 57.44 1iyg h LEU 105 Cb 1.44 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 42.11 1iyg h LEU 105 CO -0.32 -0.06 -0.31 1.56 -0.00 0.00 0.00 178.44 179.31 1iyg h GLN 106 N 0.08 -0.29 -0.00 1.13 1.08 -1.76 1.45 115.11 116.80 1iyg h GLN 106 Ca 0.77 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.99 1iyg h GLN 106 Cb 2.71 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 30.20 1iyg h GLN 106 CO -0.20 -0.19 -0.01 -2.37 -0.95 0.00 0.00 178.83 175.11 1iyg n THR 107 N -4.21 0.00 -3.19 -0.54 5.66 0.15 -3.84 114.28 108.30 1iyg n THR 107 Ca -0.03 -0.01 -0.19 0.00 -3.05 0.00 0.00 64.05 60.76 1iyg n THR 107 Cb 0.21 -0.43 -0.04 0.00 -1.55 0.00 0.00 70.33 68.52 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 -1.06 0.92 -0.01 1.09 -0.58 0.27 -4.93 120.64 116.34 1iyg n GLU 108 Ca 0.20 -3.34 -0.17 0.00 -0.42 0.00 0.00 57.16 53.43 1iyg n GLU 108 Cb 0.18 -1.61 -0.10 0.00 -0.57 0.00 0.00 31.44 29.34 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 3.20 0.40 0.00 3.49 0.13 0.18 -3.16 132.00 136.24 1iyg h PRO 109 Ca 0.09 -0.39 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1iyg h PRO 109 Cb 0.95 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1iyg h PRO 109 CO 0.49 1.05 -0.09 -0.56 -0.23 0.00 0.00 178.00 178.66 1iyg h GLN 110 N -0.10 0.00 -6.11 0.86 3.07 -1.92 -3.43 115.11 107.48 1iyg h GLN 110 Ca -0.06 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.11 1iyg h GLN 110 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1iyg h GLN 110 CO 0.10 0.09 1.41 1.21 0.09 0.00 0.00 178.83 181.73 1iyg s ASN 111 N -5.88 5.77 0.00 0.06 3.84 -1.19 -4.86 114.94 112.67 1iyg s ASN 111 Ca -0.00 2.09 -0.25 0.00 0.21 0.00 0.00 52.86 54.92 1iyg s ASN 111 Cb 0.10 -2.52 -0.17 0.00 -0.55 0.00 0.00 41.25 38.11 1iyg s ASN 111 CO 0.57 -1.68 1.24 0.78 -2.79 0.00 0.00 177.10 175.22 1iyg h ASN 112 N 13.64 -0.22 -0.99 -4.21 2.35 -1.88 -1.52 115.58 122.75 1iyg h ASN 112 Ca -0.43 -0.26 0.28 0.00 -0.55 0.00 0.00 56.30 55.33 1iyg h ASN 112 Cb 1.23 0.06 -0.19 0.00 0.05 0.00 0.00 38.32 39.48 1iyg h ASN 112 CO 0.96 0.17 0.03 0.00 -1.65 0.00 0.00 177.43 176.94 1iyg n GLN 113 N -5.04 -0.08 -0.09 0.81 6.02 -1.26 0.18 117.38 117.92 1iyg n GLN 113 Ca -0.09 1.48 -0.13 0.00 -0.01 0.00 0.00 57.00 58.26 1iyg n GLN 113 Cb 0.24 -2.37 -0.04 0.00 1.02 0.00 0.00 30.24 29.09 1iyg n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iyg h ALA 114 N 1.99 0.41 0.11 -1.58 0.00 -1.86 -0.34 119.26 117.99 1iyg h ALA 114 Ca 0.61 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1iyg h ALA 114 Cb 1.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1iyg h ALA 114 CO -0.93 0.40 -0.25 0.87 0.00 0.00 0.00 179.25 179.33 1iyg h LYS 115 N 0.40 -0.44 -0.10 0.00 1.57 0.29 0.04 116.57 118.34 1iyg h LYS 115 Ca 0.05 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1iyg h LYS 115 Cb 0.82 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1iyg h LYS 115 CO 0.06 -0.29 0.01 0.93 -0.57 0.00 0.00 179.45 179.59 1iyg h GLU 116 N -0.45 0.05 -0.47 3.15 4.39 0.45 -2.71 114.58 118.98 1iyg h GLU 116 Ca 0.03 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.81 1iyg h GLU 116 Cb 0.49 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.03 1iyg h GLU 116 CO -0.15 0.03 -0.42 1.25 -1.16 0.00 0.00 179.01 178.56 1iyg h LEU 117 N 0.05 -1.41 -1.73 1.33 6.46 -0.62 1.94 115.31 121.32 1iyg h LEU 117 Ca 0.04 0.23 0.06 0.00 -0.12 0.00 0.00 57.88 58.09 1iyg h LEU 117 Cb 0.04 0.63 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 1iyg h LEU 117 CO -0.07 -0.35 0.49 -0.08 -0.62 0.00 0.00 178.44 177.81 1iyg h GLU 118 N -0.28 0.00 0.02 1.25 4.22 -0.69 0.46 114.58 119.56 1iyg h GLU 118 Ca 0.16 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.25 1iyg h GLU 118 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1iyg h GLU 118 CO -0.62 0.00 -2.17 0.54 -2.18 0.00 0.00 179.01 174.58 1iyg n ARG 119 N -3.14 0.68 -0.09 1.92 1.74 0.51 -3.31 116.66 114.98 1iyg n ARG 119 Ca 0.03 0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 57.19 1iyg n ARG 119 Cb 0.59 -1.62 -0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1iyg n ARG 119 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1iyg h LEU 120 N 0.01 -0.67 -0.24 0.55 3.38 0.71 -1.33 115.31 117.72 1iyg h LEU 120 Ca -0.47 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 1iyg h LEU 120 Cb 2.08 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 43.17 1iyg h LEU 120 CO 0.02 -0.24 -0.26 0.40 0.09 0.00 0.00 178.44 178.46 1iyg h ILE 121 N -0.16 1.32 -1.49 1.22 5.03 -1.61 -2.71 117.51 119.11 1iyg h ILE 121 Ca 0.17 -1.43 0.48 0.00 -0.12 0.00 0.00 64.86 63.96 1iyg h ILE 121 Cb 0.42 1.69 -0.12 0.00 -3.03 0.00 0.00 36.82 35.78 1iyg h ILE 121 CO -0.42 0.45 0.99 -0.78 -0.68 0.00 0.00 178.15 177.71 1iyg h ASP 122 N 0.31 0.16 0.04 1.72 3.58 -1.27 1.21 116.42 122.18 1iyg h ASP 122 Ca 0.04 0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 1iyg h ASP 122 Cb 0.82 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1iyg h ASP 122 CO 0.06 -0.17 -0.34 0.11 -2.88 0.00 0.00 179.24 176.02 1iyg h LYS 123 N 0.03 0.09 -0.27 0.28 1.57 -1.08 -3.31 116.57 113.89 1iyg h LYS 123 Ca 0.87 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 59.53 1iyg h LYS 123 Cb 2.95 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 35.25 1iyg h LYS 123 CO -0.34 1.08 -0.53 0.00 -0.57 0.00 0.00 179.45 179.08 1iyg h ALA 124 N -0.00 -0.82 -0.96 3.86 0.00 0.16 0.66 119.26 122.16 1iyg h ALA 124 Ca -0.07 -0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.09 1iyg h ALA 124 Cb 1.22 1.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.89 1iyg h ALA 124 CO 0.04 -1.05 0.06 -1.33 0.00 0.00 0.00 179.25 176.96 1iyg n MET 125 N -5.30 -0.07 -0.06 0.00 2.81 0.54 0.17 117.12 115.21 1iyg n MET 125 Ca -0.05 1.43 -0.15 0.00 -1.81 0.00 0.00 57.70 57.12 1iyg n MET 125 Cb 0.35 -2.29 -0.06 0.00 -0.71 0.00 0.00 33.22 30.51 1iyg n MET 125 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1iyg h LYS 126 N 0.00 0.66 0.00 0.03 2.10 -0.93 -3.34 116.57 115.08 1iyg h LYS 126 Ca 0.60 -0.43 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1iyg h LYS 126 Cb 1.27 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1iyg h LYS 126 CO -0.89 1.05 0.00 1.63 -2.00 0.00 0.00 179.45 179.24 1iyg n LYS 127 N -4.20 0.00 -3.19 0.07 5.02 0.44 -4.93 118.16 111.36 1iyg n LYS 127 Ca -0.06 0.39 -0.12 0.00 -2.02 0.00 0.00 58.31 56.50 1iyg n LYS 127 Cb 0.56 -1.28 0.01 0.00 -0.02 0.00 0.00 35.03 34.30 1iyg n LYS 127 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1iyg n SER 128 N -1.51 -6.56 -4.80 4.39 3.41 0.10 -4.91 113.62 103.74 1iyg n SER 128 Ca 0.00 0.39 -0.32 0.00 -0.26 0.00 0.00 58.87 58.68 1iyg n SER 128 Cb 0.00 -2.39 0.02 0.00 -0.26 0.00 0.00 64.21 61.57 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 -1.34 2.08 0.28 5.00 0.00 -1.26 -5.01 107.32 107.06 1iyg s GLY 129 Ca 0.13 0.36 -0.29 0.00 0.00 0.00 0.00 44.72 44.92 1iyg s GLY 129 CO 0.42 0.68 1.08 2.56 0.00 0.00 0.00 173.10 177.84 1iyg s PRO 130 N -4.18 4.65 0.19 2.90 0.04 -1.26 -4.90 135.00 132.45 1iyg s PRO 130 Ca 0.63 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1iyg s PRO 130 Cb -0.16 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1iyg s PRO 130 CO 0.39 0.24 0.00 -1.13 0.04 0.00 0.00 177.00 176.54 1iyg n SER 131 N 1.19 -0.65 0.18 6.66 3.41 -1.26 -5.08 113.62 118.07 1iyg n SER 131 Ca -0.01 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1iyg n SER 131 Cb 0.45 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 1iyg n SER 131 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1iyg n SER 132 N -3.06 -1.73 0.00 4.04 7.64 -1.26 -5.37 113.62 113.89 1iyg n SER 132 Ca 0.00 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1iyg n SER 132 Cb 0.00 1.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.95 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64