#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyy n ASP 3 N 0.00 2.81 -4.05 0.00 2.03 -1.12 -4.74 116.55 111.48 1iyy n ASP 3 Ca 0.00 -1.83 -0.32 0.00 0.52 0.00 0.00 54.79 53.17 1iyy n ASP 3 Cb 0.00 -0.13 -0.15 0.00 -0.72 0.00 0.00 41.12 40.12 1iyy n ASP 3 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1iyy s TYR 4 N -1.30 3.53 -0.08 -0.67 2.02 -1.16 -5.02 117.35 114.67 1iyy s TYR 4 Ca 0.26 -2.67 -0.03 0.00 -0.37 0.00 0.00 57.07 54.26 1iyy s TYR 4 Cb 0.16 -2.48 0.05 0.00 -0.40 0.00 0.00 41.96 39.29 1iyy s TYR 4 CO 0.23 -0.92 0.17 0.99 -1.57 0.00 0.00 175.55 174.45 1iyy s THR 5 N 1.00 -0.20 -2.01 -0.71 2.01 -1.26 -1.70 115.64 112.77 1iyy s THR 5 Ca 0.02 0.29 0.14 0.00 0.31 0.00 0.00 61.69 62.45 1iyy s THR 5 Cb -0.20 -0.29 0.40 0.00 0.01 0.00 0.00 72.50 72.42 1iyy s THR 5 CO -0.06 0.12 1.34 0.00 -0.69 0.00 0.00 174.62 175.32 1iyy n GLY 7 N 1.21 -1.66 0.64 0.00 0.00 -1.26 -4.85 105.19 99.28 1iyy n GLY 7 Ca 0.15 0.61 -0.02 0.00 0.00 0.00 0.00 46.02 46.77 1iyy n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyy n SER 8 N -2.69 -0.28 0.15 1.61 7.64 -1.26 -4.97 113.62 113.82 1iyy n SER 8 Ca 0.00 -0.55 0.03 0.00 1.01 0.00 0.00 58.87 59.36 1iyy n SER 8 Cb 0.00 0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.32 1iyy n SER 8 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1iyy h ASN 9 N 0.00 0.00 -5.46 6.43 2.35 -1.92 -3.48 115.58 113.50 1iyy h ASN 9 Ca -0.16 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 1iyy h ASN 9 Cb 0.75 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.15 1iyy h ASN 9 CO -0.08 0.45 -0.18 0.00 -1.65 0.00 0.00 177.43 175.96 1iyy s TYR 11 N -3.06 3.62 -0.02 0.00 1.51 -0.69 -4.77 117.35 113.95 1iyy s TYR 11 Ca 0.07 1.11 -0.27 0.00 -1.01 0.00 0.00 57.07 56.97 1iyy s TYR 11 Cb -0.01 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1iyy s TYR 11 CO 0.76 0.27 0.85 0.45 -1.11 0.00 0.00 175.55 176.76 1iyy s SER 12 N 0.17 7.20 0.51 2.29 0.15 -1.26 -2.81 113.70 119.95 1iyy s SER 12 Ca 0.30 1.45 0.28 0.00 0.70 0.00 0.00 55.95 58.69 1iyy s SER 12 Cb -0.17 -2.50 1.52 0.00 -1.71 0.00 0.00 66.02 63.16 1iyy s SER 12 CO 0.15 -0.17 1.83 0.77 1.20 0.00 0.00 173.24 177.02 1iyy h SER 13 N 6.65 0.00 0.58 5.45 4.64 -1.93 0.16 113.55 129.10 1iyy h SER 13 Ca -0.41 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.63 1iyy h SER 13 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1iyy h SER 13 CO 0.75 0.00 -1.49 -1.28 -0.87 0.00 0.00 176.83 173.93 1iyy h SER 14 N 0.00 0.16 0.29 4.97 0.87 -1.98 -3.30 113.55 114.55 1iyy h SER 14 Ca 0.00 -0.24 -0.26 0.00 -1.23 0.00 0.00 61.79 60.06 1iyy h SER 14 Cb 0.32 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1iyy h SER 14 CO 0.00 1.20 -1.09 -0.78 -0.53 0.00 0.00 176.83 175.63 1iyy h ASP 15 N 0.03 0.66 -0.96 6.23 1.82 -1.14 -3.09 116.42 119.97 1iyy h ASP 15 Ca -0.21 -0.58 0.19 0.00 -0.39 0.00 0.00 57.03 56.04 1iyy h ASP 15 Cb 1.96 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 41.68 1iyy h ASP 15 CO 0.12 1.40 0.61 0.58 -1.61 0.00 0.00 179.24 180.34 1iyy h VAL 16 N 0.24 0.71 -0.64 2.25 2.07 -1.29 0.20 116.25 119.79 1iyy h VAL 16 Ca -0.13 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1iyy h VAL 16 Cb 1.76 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1iyy h VAL 16 CO 0.20 0.11 0.38 -1.28 0.02 0.00 0.00 177.57 177.00 1iyy h SER 17 N 0.61 0.77 -0.29 0.57 0.87 -1.61 0.48 113.55 114.94 1iyy h SER 17 Ca 0.52 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1iyy h SER 17 Cb 1.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1iyy h SER 17 CO -0.27 0.61 0.17 0.71 -0.53 0.00 0.00 176.83 177.52 1iyy h THR 18 N 0.86 1.02 0.00 2.23 1.35 -0.69 0.24 112.91 117.93 1iyy h THR 18 Ca 0.23 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1iyy h THR 18 Cb -0.01 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1iyy h THR 18 CO -0.04 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 1iyy h ALA 19 N 1.13 1.00 0.00 6.62 0.00 -0.87 -1.80 119.26 125.34 1iyy h ALA 19 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1iyy h ALA 19 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1iyy h ALA 19 CO -0.06 0.00 -0.62 0.94 0.00 0.00 0.00 179.25 179.51 1iyy n GLN 20 N -2.33 0.17 0.05 0.00 -0.06 0.16 -3.32 117.38 112.06 1iyy n GLN 20 Ca 0.02 0.04 0.09 0.00 -2.00 0.00 0.00 57.00 55.15 1iyy n GLN 20 Cb 0.25 -1.59 -0.08 0.00 -4.06 0.00 0.00 30.24 24.76 1iyy n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1iyy n ALA 21 N -1.69 2.53 0.03 1.69 0.00 0.52 -3.24 120.51 120.36 1iyy n ALA 21 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 1iyy n ALA 21 Cb 0.39 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 1iyy n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyy h ALA 22 N 1.91 -0.19 -0.20 0.00 0.00 -1.56 -1.20 119.26 118.02 1iyy h ALA 22 Ca -0.04 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1iyy h ALA 22 Cb 1.10 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1iyy h ALA 22 CO 0.01 -0.18 0.25 0.78 0.00 0.00 0.00 179.25 180.10 1iyy h GLY 23 N -0.92 0.00 0.62 0.00 0.00 -1.75 0.00 103.07 101.02 1iyy h GLY 23 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1iyy h GLY 23 CO 0.03 0.00 -0.30 -1.82 0.00 0.00 0.00 176.54 174.45 1iyy h TYR 24 N 0.00 0.39 0.45 5.60 3.20 -1.55 -2.39 116.97 122.68 1iyy h TYR 24 Ca 0.10 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 1iyy h TYR 24 Cb 0.59 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1iyy h TYR 24 CO 0.00 0.92 -0.22 0.37 -1.64 0.00 0.00 178.16 177.60 1iyy h GLN 25 N -0.25 -0.58 -1.35 1.82 4.15 0.23 -2.09 115.11 117.03 1iyy h GLN 25 Ca -0.02 0.04 0.41 0.00 0.77 0.00 0.00 58.65 59.85 1iyy h GLN 25 Cb 0.97 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.69 1iyy h GLN 25 CO 0.06 -0.39 0.91 1.25 -1.93 0.00 0.00 178.83 178.74 1iyy h LEU 26 N -0.80 0.19 0.80 -2.39 5.85 -1.31 1.17 115.31 118.82 1iyy h LEU 26 Ca -0.06 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1iyy h LEU 26 Cb 0.46 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1iyy h LEU 26 CO 0.10 -0.07 -0.39 -0.74 -0.34 0.00 0.00 178.44 177.01 1iyy h HIS 27 N 0.11 -1.00 -0.16 1.25 -0.00 -1.15 -2.62 115.15 111.58 1iyy h HIS 27 Ca 0.75 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 61.10 1iyy h HIS 27 Cb 2.52 0.33 0.00 0.00 -0.00 0.00 0.00 27.41 30.26 1iyy h HIS 27 CO -0.00 -0.62 0.00 -1.91 -0.00 0.00 0.00 177.93 175.40 1iyy n GLU 28 N -5.49 1.48 -0.04 5.26 0.00 0.38 -3.42 120.64 118.81 1iyy n GLU 28 Ca -0.14 -0.62 0.03 0.00 0.00 0.00 0.00 57.16 56.42 1iyy n GLU 28 Cb 0.43 -1.23 -0.16 0.00 0.00 0.00 0.00 31.44 30.48 1iyy n GLU 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1iyy n ASP 29 N 0.02 0.13 0.00 4.31 9.92 0.37 -4.97 116.55 126.34 1iyy n ASP 29 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1iyy n ASP 29 Cb 0.20 1.58 0.00 0.00 -0.64 0.00 0.00 41.12 42.26 1iyy n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iyy n GLY 30 N 1.49 2.78 0.00 0.44 0.00 -1.01 -5.00 105.19 103.88 1iyy n GLY 30 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1iyy n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iyy n GLU 31 N -2.00 2.74 -2.99 1.61 4.07 -1.25 -5.07 120.64 117.76 1iyy n GLU 31 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 1iyy n GLU 31 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1iyy n GLU 31 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1iyy n THR 32 N 0.00 0.00 0.00 6.31 -1.04 -1.26 -4.91 114.28 113.38 1iyy n THR 32 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1iyy n THR 32 Cb 0.00 0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 1iyy n THR 32 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1iyy n VAL 33 N -0.48 0.00 -0.31 12.58 0.24 -1.26 -5.00 118.33 124.10 1iyy n VAL 33 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1iyy n VAL 33 Cb 0.36 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1iyy n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iyy n GLY 34 N 5.00 0.28 0.00 7.63 0.00 -1.15 -4.90 105.19 112.05 1iyy n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iyy n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyy n SER 35 N -0.20 0.00 -3.01 1.61 7.64 -1.25 -4.87 113.62 113.54 1iyy n SER 35 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1iyy n SER 35 Cb 0.08 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1iyy n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iyy n ASN 36 N 0.00 2.60 0.00 6.43 3.02 -1.26 -5.10 115.26 120.95 1iyy n ASN 36 Ca 0.00 -3.31 0.00 0.00 -0.03 0.00 0.00 54.58 51.24 1iyy n ASN 36 Cb 0.00 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1iyy n ASN 36 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1iyy n SER 37 N -0.00 -2.33 0.00 6.41 2.88 -1.26 -4.97 113.62 114.35 1iyy n SER 37 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1iyy n SER 37 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1iyy n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iyy n TYR 38 N 0.00 0.00 -2.31 0.66 4.19 -1.26 -4.68 117.16 113.76 1iyy n TYR 38 Ca 0.00 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.81 1iyy n TYR 38 Cb 0.00 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 1iyy n TYR 38 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1iyy s PRO 39 N 0.00 2.97 0.29 2.98 0.04 -1.25 -4.47 135.00 135.55 1iyy s PRO 39 Ca 0.00 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 1iyy s PRO 39 Cb 0.00 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 1iyy s PRO 39 CO 0.00 -2.37 0.32 -1.01 0.04 0.00 0.00 177.00 173.98 1iyy s HIS 40 N 7.19 1.20 0.69 0.56 0.09 -1.16 -4.64 115.29 119.21 1iyy s HIS 40 Ca 0.51 -1.35 -0.13 0.00 -0.00 0.00 0.00 55.06 54.09 1iyy s HIS 40 Cb -0.10 -0.36 0.01 0.00 -0.00 0.00 0.00 32.58 32.12 1iyy s HIS 40 CO 0.19 -0.90 1.08 -1.59 -0.00 0.00 0.00 174.74 173.52 1iyy s LYS 41 N -3.61 2.80 -0.37 1.40 -2.85 -1.26 -0.23 119.74 115.62 1iyy s LYS 41 Ca 0.35 1.16 0.02 0.00 -1.00 0.00 0.00 55.97 56.51 1iyy s LYS 41 Cb 0.02 -1.96 0.15 0.00 -2.06 0.00 0.00 37.83 33.98 1iyy s LYS 41 CO 0.19 -1.22 0.34 -0.47 0.10 0.00 0.00 175.35 174.28 1iyy s TYR 42 N -2.72 -0.01 0.00 1.78 5.04 -0.94 -4.43 117.35 116.06 1iyy s TYR 42 Ca 0.62 -1.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 1iyy s TYR 42 Cb -0.17 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.60 1iyy s TYR 42 CO 0.48 -0.94 0.07 0.09 -1.34 0.00 0.00 175.55 173.92 1iyy n ASN 43 N 4.11 0.00 0.00 4.32 4.13 -1.26 -3.94 115.26 122.62 1iyy n ASN 43 Ca 0.12 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1iyy n ASN 43 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1iyy n ASN 43 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1iyy n ASN 44 N -0.10 0.00 0.00 6.41 0.23 -1.26 -4.75 115.26 115.79 1iyy n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1iyy n ASN 44 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1iyy n ASN 44 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1iyy n TYR 45 N -0.46 0.00 0.05 -2.53 4.01 -1.26 -4.71 117.16 112.26 1iyy n TYR 45 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1iyy n TYR 45 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 1iyy n TYR 45 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1iyy n GLU 46 N -0.04 0.61 0.00 -0.72 2.13 -1.26 -4.96 120.64 116.40 1iyy n GLU 46 Ca 0.00 -0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1iyy n GLU 46 Cb 0.13 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1iyy n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iyy n GLY 47 N 1.32 1.58 3.57 8.31 0.00 -1.26 -5.00 105.19 113.70 1iyy n GLY 47 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1iyy n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iyy s PHE 48 N -2.00 1.42 0.47 1.61 0.08 -1.26 -4.71 117.98 113.59 1iyy s PHE 48 Ca 0.00 1.53 0.20 0.00 0.12 0.00 0.00 56.93 58.78 1iyy s PHE 48 Cb 0.00 -3.64 1.21 0.00 -0.57 0.00 0.00 43.02 40.03 1iyy s PHE 48 CO 0.00 -1.40 1.96 0.22 -0.10 0.00 0.00 175.22 175.89 1iyy h ASP 49 N 11.79 0.21 -0.29 1.36 1.82 -1.97 -3.46 116.42 125.88 1iyy h ASP 49 Ca 0.05 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1iyy h ASP 49 Cb 0.99 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.97 1iyy h ASP 49 CO 1.08 0.11 -0.01 0.49 -1.61 0.00 0.00 179.24 179.31 1iyy n PHE 50 N -4.43 -1.33 -2.33 0.28 3.01 -1.26 -4.72 117.46 106.67 1iyy n PHE 50 Ca 0.12 0.03 -0.02 0.00 1.01 0.00 0.00 57.45 58.59 1iyy n PHE 50 Cb 0.56 0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1iyy n PHE 50 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1iyy n SER 51 N -3.80 -0.16 0.00 4.37 7.64 -1.26 -5.02 113.62 115.38 1iyy n SER 51 Ca 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1iyy n SER 51 Cb 0.01 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1iyy n SER 51 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1iyy n VAL 52 N -0.10 0.00 -3.82 0.44 0.31 -1.26 -5.07 118.33 108.83 1iyy n VAL 52 Ca -0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 1iyy n VAL 52 Cb 0.88 -0.33 -0.05 0.00 -0.91 0.00 0.00 33.84 33.43 1iyy n VAL 52 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1iyy s SER 53 N 0.35 -0.15 0.06 4.52 0.15 -1.26 -5.06 113.70 112.31 1iyy s SER 53 Ca 0.00 -0.62 -0.26 0.00 0.70 0.00 0.00 55.95 55.77 1iyy s SER 53 Cb 0.00 0.53 -0.17 0.00 -1.71 0.00 0.00 66.02 64.67 1iyy s SER 53 CO 0.00 -1.00 1.59 0.28 1.20 0.00 0.00 173.24 175.31 1iyy h SER 54 N 2.32 -0.20 -0.73 5.45 0.02 -1.98 -3.34 113.55 115.09 1iyy h SER 54 Ca -0.30 -0.08 -0.55 0.00 -0.84 0.00 0.00 61.79 60.03 1iyy h SER 54 Cb 1.25 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.78 1iyy h SER 54 CO 0.41 -0.04 1.74 -2.16 -1.14 0.00 0.00 176.83 175.64 1iyy s PRO 55 N -5.70 3.41 0.00 3.45 0.04 -1.26 -4.38 135.00 130.57 1iyy s PRO 55 Ca -0.14 -1.63 0.00 0.00 0.04 0.00 0.00 61.00 59.26 1iyy s PRO 55 Cb 0.04 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1iyy s PRO 55 CO 0.64 -2.89 0.00 0.66 0.04 0.00 0.00 177.00 175.45 1iyy n TYR 56 N 10.65 -1.83 -3.40 0.56 4.01 -1.25 -4.64 117.16 121.25 1iyy n TYR 56 Ca 0.47 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 58.18 1iyy n TYR 56 Cb 0.46 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.44 1iyy n TYR 56 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1iyy s TYR 57 N -0.46 -1.19 0.14 -0.72 2.02 0.94 -2.20 117.35 115.88 1iyy s TYR 57 Ca 0.00 1.56 -0.27 0.00 -0.37 0.00 0.00 57.07 58.00 1iyy s TYR 57 Cb 0.00 0.42 -0.07 0.00 -0.40 0.00 0.00 41.96 41.91 1iyy s TYR 57 CO 0.00 -0.72 0.83 -1.83 -1.57 0.00 0.00 175.55 172.27 1iyy s GLU 58 N 2.73 4.62 -0.26 -0.62 -1.05 0.68 -2.56 118.70 122.25 1iyy s GLU 58 Ca 0.09 1.24 -0.25 0.00 -0.15 0.00 0.00 54.97 55.89 1iyy s GLU 58 Cb -0.14 -3.31 0.07 0.00 -0.44 0.00 0.00 34.13 30.31 1iyy s GLU 58 CO -0.18 0.42 0.74 -0.46 0.95 0.00 0.00 175.26 176.74 1iyy s TRP 59 N -0.66 -0.75 0.12 4.83 -0.11 -1.21 -3.00 118.94 118.15 1iyy s TRP 59 Ca 0.39 1.81 -0.31 0.00 1.22 0.00 0.00 56.10 59.22 1iyy s TRP 59 Cb -0.23 0.29 -0.08 0.00 -1.50 0.00 0.00 33.47 31.95 1iyy s TRP 59 CO 0.27 -0.38 1.36 -1.25 -4.62 0.00 0.00 176.95 172.33 1iyy s PRO 60 N 0.27 4.34 -0.14 5.86 0.04 -1.26 -3.69 135.00 140.41 1iyy s PRO 60 Ca -0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 1iyy s PRO 60 Cb -0.05 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1iyy s PRO 60 CO 0.01 -0.39 -0.08 -1.50 0.04 0.00 0.00 177.00 175.07 1iyy s ILE 61 N 0.98 3.48 0.39 0.56 1.10 -1.26 -4.58 121.20 121.86 1iyy s ILE 61 Ca 0.63 -0.51 0.07 0.00 -0.51 0.00 0.00 60.65 60.33 1iyy s ILE 61 Cb -0.36 -2.49 -0.07 0.00 0.15 0.00 0.00 42.46 39.68 1iyy s ILE 61 CO 0.31 0.51 -0.01 -0.76 -2.11 0.00 0.00 174.94 172.88 1iyy s LEU 62 N 0.32 2.79 -0.17 8.50 1.43 -1.26 -4.87 118.68 125.43 1iyy s LEU 62 Ca -0.07 -1.33 0.14 0.00 -1.03 0.00 0.00 54.13 51.84 1iyy s LEU 62 Cb -0.15 -0.88 0.37 0.00 0.03 0.00 0.00 46.19 45.56 1iyy s LEU 62 CO 0.04 -0.40 1.19 -0.24 0.23 0.00 0.00 176.35 177.17 1iyy n SER 63 N -0.90 1.82 0.14 2.29 2.88 -1.26 -4.57 113.62 114.02 1iyy n SER 63 Ca -0.05 -3.54 0.00 0.00 -1.33 0.00 0.00 58.87 53.95 1iyy n SER 63 Cb 0.66 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1iyy n SER 63 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iyy n SER 64 N -1.11 -2.49 0.00 -3.46 7.64 -1.26 -4.88 113.62 108.06 1iyy n SER 64 Ca 0.17 0.54 0.10 0.00 1.01 0.00 0.00 58.87 60.69 1iyy n SER 64 Cb 0.70 2.51 0.52 0.00 -1.01 0.00 0.00 64.21 66.93 1iyy n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyy n GLY 65 N -1.48 -0.86 6.98 0.23 0.00 -1.26 -4.91 105.19 103.88 1iyy n GLY 65 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1iyy n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iyy n ASP 66 N -1.22 0.00 -4.84 1.61 -0.08 -1.26 -4.63 116.55 106.13 1iyy n ASP 66 Ca 0.11 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.06 1iyy n ASP 66 Cb 0.14 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.54 1iyy n ASP 66 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1iyy s VAL 67 N 0.00 4.51 -0.15 5.18 1.01 -1.26 -4.01 120.40 125.68 1iyy s VAL 67 Ca 0.00 1.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.96 1iyy s VAL 67 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1iyy s VAL 67 CO 0.00 -0.45 0.90 -0.47 0.00 0.00 0.00 175.10 175.08 1iyy s TYR 68 N -2.33 3.45 -0.00 5.22 5.04 -1.26 -4.88 117.35 122.59 1iyy s TYR 68 Ca 0.59 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 1iyy s TYR 68 Cb -0.10 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 39.13 1iyy s TYR 68 CO 0.22 -0.24 0.34 -1.13 -1.34 0.00 0.00 175.55 173.40 1iyy n SER 69 N 5.18 0.68 0.00 4.32 3.41 -1.26 -4.40 113.62 121.55 1iyy n SER 69 Ca 0.06 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 1iyy n SER 69 Cb 0.49 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1iyy n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyy n GLY 70 N 0.32 4.04 0.00 5.00 0.00 -1.26 -2.92 105.19 110.37 1iyy n GLY 70 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1iyy n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyy n GLY 71 N -0.04 -0.54 2.88 -0.02 0.00 -1.26 -5.03 105.19 101.18 1iyy n GLY 71 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 1iyy n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyy n SER 72 N 0.00 -6.18 -2.13 1.61 2.88 -1.26 -5.00 113.62 103.54 1iyy n SER 72 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1iyy n SER 72 Cb 0.00 -3.79 0.00 0.00 -0.75 0.00 0.00 64.21 59.67 1iyy n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1iyy n PRO 73 N 1.29 -0.07 -0.00 -1.46 -0.04 -1.26 -4.95 135.00 128.50 1iyy n PRO 73 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1iyy n PRO 73 Cb 0.26 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1iyy n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iyy n GLY 74 N 4.64 -1.97 7.00 0.55 0.00 -1.26 -5.03 105.19 109.12 1iyy n GLY 74 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1iyy n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iyy n ALA 75 N -0.02 0.00 -0.94 4.61 0.00 -1.19 -4.72 120.51 118.25 1iyy n ALA 75 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1iyy n ALA 75 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1iyy n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iyy n ASP 76 N -1.13 -3.87 -2.66 0.00 8.00 -1.26 -0.39 116.55 115.24 1iyy n ASP 76 Ca 0.00 0.37 -0.04 0.00 0.71 0.00 0.00 54.79 55.83 1iyy n ASP 76 Cb 0.00 -0.67 0.08 0.00 -0.02 0.00 0.00 41.12 40.51 1iyy n ASP 76 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1iyy n ARG 77 N 1.59 0.08 -0.68 -1.24 0.63 0.48 -4.56 116.66 112.97 1iyy n ARG 77 Ca 0.03 -0.63 -0.32 0.00 -0.92 0.00 0.00 57.85 56.01 1iyy n ARG 77 Cb 0.42 -0.14 0.17 0.00 0.45 0.00 0.00 32.46 33.37 1iyy n ARG 77 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1iyy n VAL 78 N 1.56 0.00 -4.57 5.15 3.14 -1.24 -3.05 118.33 119.32 1iyy n VAL 78 Ca 0.01 -0.27 -0.27 0.00 -2.96 0.00 0.00 64.34 60.85 1iyy n VAL 78 Cb 0.71 -0.69 -0.08 0.00 -1.06 0.00 0.00 33.84 32.72 1iyy n VAL 78 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1iyy s VAL 79 N -2.33 0.86 0.05 1.55 1.01 -0.18 -3.31 120.40 118.06 1iyy s VAL 79 Ca 0.59 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.53 1iyy s VAL 79 Cb -0.17 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1iyy s VAL 79 CO 0.66 0.00 0.16 2.22 0.00 0.00 0.00 175.10 178.14 1iyy n PHE 80 N -0.98 -0.96 0.00 5.22 -1.74 -1.06 -1.50 117.46 116.44 1iyy n PHE 80 Ca -0.09 -0.27 0.00 0.00 -0.56 0.00 0.00 57.45 56.54 1iyy n PHE 80 Cb 0.66 0.13 0.00 0.00 1.52 0.00 0.00 39.48 41.79 1iyy n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1iyy n ASN 81 N -0.88 0.00 -0.06 5.98 5.15 -1.26 -0.04 115.26 124.15 1iyy n ASN 81 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1iyy n ASN 81 Cb 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 1iyy n ASN 81 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1iyy n GLU 82 N -0.99 0.00 -0.28 1.20 -0.58 -1.26 -4.78 120.64 113.95 1iyy n GLU 82 Ca 0.00 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 1iyy n GLU 82 Cb 0.00 -0.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.60 1iyy n GLU 82 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1iyy n ASN 83 N 0.00 0.00 -0.23 1.62 4.05 -1.26 -4.97 115.26 114.47 1iyy n ASN 83 Ca 0.00 -1.35 -0.03 0.00 0.45 0.00 0.00 54.58 53.65 1iyy n ASN 83 Cb 0.51 -0.07 -0.01 0.00 1.23 0.00 0.00 39.78 41.44 1iyy n ASN 83 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1iyy n ASN 84 N 0.00 -4.71 -0.41 1.20 6.94 -1.26 -4.81 115.26 112.21 1iyy n ASN 84 Ca 0.00 0.07 0.37 0.00 -0.02 0.00 0.00 54.58 55.00 1iyy n ASN 84 Cb 0.57 -2.47 0.71 0.00 -2.36 0.00 0.00 39.78 36.23 1iyy n ASN 84 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1iyy h GLN 85 N 0.31 0.07 -1.93 -3.83 4.20 -1.93 -3.46 115.11 108.55 1iyy h GLN 85 Ca -0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1iyy h GLN 85 Cb 0.64 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1iyy h GLN 85 CO 0.09 0.05 0.00 -0.11 -0.67 0.00 0.00 178.83 178.19 1iyy n LEU 86 N -4.28 -1.49 0.08 1.46 -0.00 -1.26 -4.96 117.00 106.56 1iyy n LEU 86 Ca 0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.20 1iyy n LEU 86 Cb 1.36 -0.74 -0.06 0.00 -0.00 0.00 0.00 43.42 43.98 1iyy n LEU 86 CO 0.36 0.00 0.16 0.00 -0.00 0.00 0.00 177.39 177.91 1iyy h ALA 87 N 0.00 0.37 0.00 1.96 0.00 -1.56 -3.45 119.26 116.58 1iyy h ALA 87 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1iyy h ALA 87 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1iyy h ALA 87 CO 0.00 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1iyy n GLY 88 N 1.09 3.72 3.53 0.00 0.00 -1.26 -4.52 105.19 107.75 1iyy n GLY 88 Ca -0.05 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1iyy n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iyy s VAL 89 N -2.00 4.38 -0.09 1.61 1.01 -1.26 -1.01 120.40 123.04 1iyy s VAL 89 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 1iyy s VAL 89 Cb 0.00 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1iyy s VAL 89 CO 0.00 -1.11 -0.03 0.27 0.00 0.00 0.00 175.10 174.24 1iyy s ILE 90 N 3.98 4.05 0.46 2.22 -4.36 -1.17 -2.73 121.20 123.66 1iyy s ILE 90 Ca 0.31 -0.34 0.03 0.00 -0.26 0.00 0.00 60.65 60.40 1iyy s ILE 90 Cb -0.12 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 1iyy s ILE 90 CO 0.20 0.59 0.01 0.28 0.24 0.00 0.00 174.94 176.26 1iyy s THR 91 N -0.70 1.43 -0.73 8.37 -1.32 -1.10 0.18 115.64 121.76 1iyy s THR 91 Ca 0.11 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.62 1iyy s THR 91 Cb -0.12 -2.49 0.27 0.00 -1.51 0.00 0.00 72.50 68.65 1iyy s THR 91 CO 0.02 0.00 0.95 1.57 -2.21 0.00 0.00 174.62 174.95 1iyy n HIS 92 N -1.12 3.39 0.00 9.09 -0.00 0.47 -3.68 115.22 123.38 1iyy n HIS 92 Ca -0.13 -3.77 0.00 0.00 0.46 0.00 0.00 57.72 54.28 1iyy n HIS 92 Cb 0.67 -0.71 0.00 0.00 -0.12 0.00 0.00 29.99 29.83 1iyy n HIS 92 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1iyy n THR 93 N 0.79 0.00 0.00 3.57 5.66 -1.19 -3.15 114.28 119.96 1iyy n THR 93 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1iyy n THR 93 Cb 0.39 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 1iyy n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1iyy n GLY 94 N -0.38 3.39 0.70 1.09 0.00 -1.26 -4.78 105.19 103.96 1iyy n GLY 94 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1iyy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iyy n ALA 95 N -1.59 0.10 -1.34 4.61 0.00 -1.26 -5.02 120.51 116.01 1iyy n ALA 95 Ca 0.00 -0.44 -0.59 0.00 0.00 0.00 0.00 53.44 52.41 1iyy n ALA 95 Cb 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 1iyy n ALA 95 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iyy n SER 96 N -1.51 1.06 0.00 0.00 7.64 -1.26 -3.91 113.62 115.65 1iyy n SER 96 Ca -0.03 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1iyy n SER 96 Cb 0.13 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1iyy n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyy n GLY 97 N 6.94 1.05 1.88 0.23 0.00 -1.26 -1.64 105.19 112.39 1iyy n GLY 97 Ca 0.50 0.38 -0.03 0.00 0.00 0.00 0.00 46.02 46.87 1iyy n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iyy n ASN 98 N 9.98 2.14 -4.08 1.61 0.23 -1.25 -4.34 115.26 119.55 1iyy n ASN 98 Ca 0.00 -2.72 -0.33 0.00 -0.53 0.00 0.00 54.58 50.99 1iyy n ASN 98 Cb 0.00 -0.41 0.10 0.00 -2.08 0.00 0.00 39.78 37.39 1iyy n ASN 98 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1iyy n ASN 99 N -0.41 -2.70 -4.88 0.53 2.85 -0.65 -3.25 115.26 106.75 1iyy n ASN 99 Ca 0.17 -0.08 -0.32 0.00 -0.11 0.00 0.00 54.58 54.23 1iyy n ASN 99 Cb 0.91 -0.70 -0.05 0.00 1.24 0.00 0.00 39.78 41.18 1iyy n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1iyy s PHE 100 N -2.10 3.47 -0.06 1.20 0.40 -1.24 -3.18 117.98 116.47 1iyy s PHE 100 Ca 0.43 0.79 -0.24 0.00 -0.60 0.00 0.00 56.93 57.30 1iyy s PHE 100 Cb 0.00 -2.19 0.05 0.00 0.51 0.00 0.00 43.02 41.40 1iyy s PHE 100 CO 0.61 0.35 0.55 0.14 0.70 0.00 0.00 175.22 177.57 1iyy s VAL 101 N -1.71 0.02 -0.19 -0.44 -7.23 -1.25 -4.86 120.40 104.75 1iyy s VAL 101 Ca 0.44 -0.15 -0.27 0.00 -1.81 0.00 0.00 61.98 60.19 1iyy s VAL 101 Cb -0.12 -0.85 -0.00 0.00 0.56 0.00 0.00 36.38 35.97 1iyy s VAL 101 CO 0.22 -0.08 0.93 -1.83 -0.31 0.00 0.00 175.10 174.02 1iyy s GLU 102 N -1.02 4.28 -0.35 4.82 -1.05 -1.25 -2.73 118.70 121.41 1iyy s GLU 102 Ca -0.10 1.17 -0.43 0.00 -0.15 0.00 0.00 54.97 55.46 1iyy s GLU 102 Cb -0.02 -3.60 -0.18 0.00 -0.44 0.00 0.00 34.13 29.88 1iyy s GLU 102 CO 0.07 -0.46 1.61 0.00 0.95 0.00 0.00 175.26 177.43