#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 1.79 2.48 -3.37 0.00 2.03 -1.14 -4.56 116.55 113.77 1iyy n ASP 3 Ca 0.00 -1.74 -0.31 0.00 0.52 0.00 0.00 54.79 53.26 1iyy n ASP 3 Cb 0.27 0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 1iyy n ASP 3 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1iyy n TYR 4 N 0.80 3.50 -2.82 -0.67 4.01 -1.17 -4.99 117.16 115.82 1iyy n TYR 4 Ca 0.11 -3.71 -0.43 0.00 -0.16 0.00 0.00 57.90 53.71 1iyy n TYR 4 Cb 0.49 -0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 38.79 1iyy n TYR 4 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1iyy s THR 5 N -3.37 4.43 0.17 -0.72 -1.32 -1.26 -2.08 115.64 111.49 1iyy s THR 5 Ca 0.42 -1.07 0.05 0.00 -1.21 0.00 0.00 61.69 59.87 1iyy s THR 5 Cb 0.18 -4.83 -0.04 0.00 -1.51 0.00 0.00 72.50 66.31 1iyy s THR 5 CO -0.05 -1.60 0.18 0.00 -2.21 0.00 0.00 174.62 170.94 1iyy n GLY 7 N -0.54 -0.41 2.37 0.00 0.00 -1.26 0.39 105.19 105.74 1iyy n GLY 7 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.57 -3.31 -3.51 1.61 7.64 -1.26 -5.01 113.62 108.22 1iyy n SER 8 Ca -0.09 -0.27 -0.28 0.00 1.01 0.00 0.00 58.87 59.23 1iyy n SER 8 Cb 0.55 -2.69 -0.12 0.00 -1.01 0.00 0.00 64.21 60.95 1iyy n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1iyy s ASN 9 N -3.34 2.71 -0.84 6.43 0.01 0.16 -5.05 114.94 115.01 1iyy s ASN 9 Ca 0.17 -2.63 -0.21 0.00 -0.71 0.00 0.00 52.86 49.48 1iyy s ASN 9 Cb -0.08 -0.59 -0.19 0.00 0.41 0.00 0.00 41.25 40.80 1iyy s ASN 9 CO 0.35 -0.25 2.26 0.00 -1.51 0.00 0.00 177.10 177.95 1iyy s TYR 11 N 11.47 3.66 -0.15 0.00 1.51 -0.89 -4.78 117.35 128.18 1iyy s TYR 11 Ca 0.96 1.77 -0.29 0.00 -1.01 0.00 0.00 57.07 58.50 1iyy s TYR 11 Cb -0.27 -2.94 -0.01 0.00 -0.11 0.00 0.00 41.96 38.64 1iyy s TYR 11 CO 0.19 0.15 1.09 0.45 -1.11 0.00 0.00 175.55 176.32 1iyy s SER 12 N -1.62 7.11 0.57 2.29 0.15 -1.26 -2.90 113.70 118.05 1iyy s SER 12 Ca 0.51 1.54 0.26 0.00 0.70 0.00 0.00 55.95 58.96 1iyy s SER 12 Cb -0.19 -2.55 1.64 0.00 -1.71 0.00 0.00 66.02 63.22 1iyy s SER 12 CO 0.24 -0.60 2.19 0.77 1.20 0.00 0.00 173.24 177.03 1iyy h SER 13 N 7.46 0.00 1.08 5.45 4.64 -1.93 0.21 113.55 130.46 1iyy h SER 13 Ca -0.26 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 1iyy h SER 13 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1iyy h SER 13 CO 0.92 0.00 -0.81 0.77 -0.87 0.00 0.00 176.83 176.85 1iyy h SER 14 N 0.00 0.00 1.24 4.97 4.64 -2.01 -3.12 113.55 119.27 1iyy h SER 14 Ca 0.03 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1iyy h SER 14 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1iyy h SER 14 CO -0.00 0.81 -0.73 -0.78 -0.87 0.00 0.00 176.83 175.26 1iyy h ASP 15 N 0.00 0.00 0.33 4.97 1.82 -1.09 -3.10 116.42 119.35 1iyy h ASP 15 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.56 1iyy h ASP 15 Cb 1.57 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.57 1iyy h ASP 15 CO 0.11 0.73 -0.33 0.58 -1.61 0.00 0.00 179.24 178.72 1iyy h VAL 16 N 0.00 1.23 -0.28 2.25 2.07 -0.86 -2.67 116.25 117.99 1iyy h VAL 16 Ca -0.01 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 1iyy h VAL 16 Cb 1.55 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1iyy h VAL 16 CO 0.09 0.32 0.07 -1.28 0.02 0.00 0.00 177.57 176.80 1iyy h SER 17 N 0.00 0.41 0.00 0.57 0.87 -1.49 0.52 113.55 114.44 1iyy h SER 17 Ca -0.00 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1iyy h SER 17 Cb 0.58 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1iyy h SER 17 CO 0.04 0.53 -0.12 0.71 -0.53 0.00 0.00 176.83 177.46 1iyy h THR 18 N 0.28 0.69 0.00 2.23 1.35 -1.55 0.33 112.91 116.24 1iyy h THR 18 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1iyy h THR 18 Cb 0.27 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1iyy h THR 18 CO -0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1iyy h ALA 19 N 0.75 1.00 -0.20 6.62 0.00 -1.32 -1.49 119.26 124.62 1iyy h ALA 19 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1iyy h ALA 19 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1iyy h ALA 19 CO -0.12 0.00 -0.54 0.37 0.00 0.00 0.00 179.25 178.96 1iyy h GLN 20 N 0.00 0.60 -0.00 0.00 -0.00 0.38 -2.10 115.11 113.98 1iyy h GLN 20 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1iyy h GLN 20 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.82 1iyy h GLN 20 CO 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 178.83 179.79 1iyy n ALA 21 N -2.52 2.65 -0.06 3.38 0.00 -0.20 -2.87 120.51 120.88 1iyy n ALA 21 Ca -0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1iyy n ALA 21 Cb 0.60 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 3.89 0.01 0.00 0.00 0.00 -1.07 -1.51 119.26 120.58 1iyy h ALA 22 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1iyy h ALA 22 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1iyy h ALA 22 CO 0.00 0.03 0.00 0.78 0.00 0.00 0.00 179.25 180.06 1iyy h GLY 23 N -1.00 0.00 0.00 0.00 0.00 -1.63 -3.20 103.07 97.24 1iyy h GLY 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1iyy h GLY 23 CO -0.01 0.00 -0.01 -1.82 0.00 0.00 0.00 176.54 174.70 1iyy h TYR 24 N 0.00 0.00 -1.39 5.60 3.20 -1.61 -2.62 116.97 120.16 1iyy h TYR 24 Ca 0.00 0.00 0.45 0.00 3.14 0.00 0.00 58.73 62.32 1iyy h TYR 24 Cb 0.60 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.74 1iyy h TYR 24 CO 0.00 0.00 0.91 0.37 -1.64 0.00 0.00 178.16 177.80 1iyy h GLN 25 N -0.95 0.06 -0.01 1.82 5.75 -1.32 0.61 115.11 121.06 1iyy h GLN 25 Ca 0.00 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1iyy h GLN 25 Cb 0.01 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.55 1iyy h GLN 25 CO 0.00 0.04 -0.28 1.25 -2.65 0.00 0.00 178.83 177.19 1iyy h LEU 26 N 0.06 0.27 -1.26 -2.39 7.12 -1.63 -0.84 115.31 116.63 1iyy h LEU 26 Ca 0.84 -0.75 0.09 0.00 0.13 0.00 0.00 57.88 58.20 1iyy h LEU 26 Cb 2.72 -0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 42.71 1iyy h LEU 26 CO -0.39 0.98 0.55 -0.74 -0.13 0.00 0.00 178.44 178.71 1iyy h HIS 27 N -0.42 0.88 0.03 1.25 2.76 0.57 -1.04 115.15 119.19 1iyy h HIS 27 Ca -0.03 0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 57.89 1iyy h HIS 27 Cb 1.01 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 1iyy h HIS 27 CO 0.17 0.42 -1.43 1.49 -1.30 0.00 0.00 177.93 177.27 1iyy h GLU 28 N 0.83 0.06 0.00 5.26 4.81 -1.29 -3.26 114.58 120.99 1iyy h GLU 28 Ca 0.39 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1iyy h GLU 28 Cb 0.40 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1iyy h GLU 28 CO -0.16 0.82 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.48 1iyy h ASP 29 N 0.02 0.00 0.00 1.04 5.19 -0.41 -3.46 116.42 118.80 1iyy h ASP 29 Ca -0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1iyy h ASP 29 Cb 1.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.44 1iyy h ASP 29 CO 0.11 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.86 1iyy n GLY 30 N -0.21 3.04 0.00 2.75 0.00 -0.46 -5.00 105.19 105.31 1iyy n GLY 30 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.60 -3.83 1.61 4.07 -1.23 -5.01 120.64 115.85 1iyy n GLU 31 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 1iyy n GLU 31 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1iyy n GLU 31 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1iyy s THR 32 N 0.00 0.00 0.14 6.31 2.01 -1.26 -4.84 115.64 118.00 1iyy s THR 32 Ca 0.00 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.19 1iyy s THR 32 Cb 0.00 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1iyy s THR 32 CO 0.00 0.00 -0.12 0.68 -0.69 0.00 0.00 174.62 174.49 1iyy s VAL 33 N -2.95 1.27 0.00 3.82 -7.23 -1.26 -4.95 120.40 109.10 1iyy s VAL 33 Ca 0.15 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1iyy s VAL 33 Cb -0.04 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1iyy s VAL 33 CO 0.07 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.86 1iyy n GLY 34 N 0.05 0.24 0.00 2.32 0.00 -1.26 -3.28 105.19 103.25 1iyy n GLY 34 Ca -0.12 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1iyy n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iyy n SER 35 N 2.42 0.00 -0.86 1.61 3.41 -1.26 -5.01 113.62 113.92 1iyy n SER 35 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1iyy n SER 35 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1iyy n SER 35 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1iyy n ASN 36 N 0.00 -0.14 -2.97 4.04 3.02 -1.20 -5.07 115.26 112.93 1iyy n ASN 36 Ca 0.00 -1.70 -0.01 0.00 -0.03 0.00 0.00 54.58 52.84 1iyy n ASN 36 Cb 0.00 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.10 -6.48 -0.01 6.41 2.88 -1.26 -4.90 113.62 110.35 1iyy n SER 37 Ca -0.08 0.90 -0.17 0.00 -1.33 0.00 0.00 58.87 58.19 1iyy n SER 37 Cb 0.73 -3.07 -0.13 0.00 -0.75 0.00 0.00 64.21 60.98 1iyy n SER 37 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1iyy h TYR 38 N 3.75 0.27 -3.04 0.66 5.03 -1.94 -3.42 116.97 118.28 1iyy h TYR 38 Ca -0.06 -0.19 -0.56 0.00 2.58 0.00 0.00 58.73 60.50 1iyy h TYR 38 Cb 0.58 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.80 1iyy h TYR 38 CO 0.00 1.12 1.11 -1.25 -1.32 0.00 0.00 178.16 177.82 1iyy s PRO 39 N -2.45 3.43 0.23 1.82 0.04 -1.25 -4.68 135.00 132.13 1iyy s PRO 39 Ca -0.16 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.69 1iyy s PRO 39 Cb -0.01 -4.08 -0.00 0.00 0.04 0.00 0.00 34.50 30.44 1iyy s PRO 39 CO 0.76 -1.76 0.04 -2.39 0.04 0.00 0.00 177.00 173.69 1iyy n HIS 40 N 9.33 0.31 -4.09 0.56 1.44 -1.18 -4.83 115.22 116.77 1iyy n HIS 40 Ca 0.16 -1.29 -0.34 0.00 -2.01 0.00 0.00 57.72 54.23 1iyy n HIS 40 Cb 0.48 -0.08 -0.10 0.00 0.12 0.00 0.00 29.99 30.42 1iyy n HIS 40 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1iyy s LYS 41 N -2.85 3.83 -0.09 -1.40 2.36 -1.26 -1.25 119.74 119.07 1iyy s LYS 41 Ca 0.06 -0.36 -0.11 0.00 -2.55 0.00 0.00 55.97 53.01 1iyy s LYS 41 Cb 0.00 -3.13 -0.05 0.00 -1.05 0.00 0.00 37.83 33.60 1iyy s LYS 41 CO 0.04 0.33 0.25 -0.47 1.55 0.00 0.00 175.35 177.05 1iyy s TYR 42 N 0.19 3.61 -0.06 4.03 5.04 -0.73 -4.83 117.35 124.61 1iyy s TYR 42 Ca 0.03 0.67 0.08 0.00 -2.44 0.00 0.00 57.07 55.41 1iyy s TYR 42 Cb -0.12 -2.12 -0.24 0.00 0.35 0.00 0.00 41.96 39.82 1iyy s TYR 42 CO 0.01 0.60 0.61 -0.97 -1.34 0.00 0.00 175.55 174.46 1iyy h ASN 43 N 5.26 0.11 -4.02 4.32 -0.00 -1.89 -3.20 115.58 116.15 1iyy h ASN 43 Ca -0.51 -0.24 0.00 0.00 -0.00 0.00 0.00 56.30 55.55 1iyy h ASN 43 Cb 1.21 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1iyy h ASN 43 CO 0.63 1.21 -0.14 -3.20 -0.00 0.00 0.00 177.43 175.93 1iyy n ASN 44 N -3.16 -2.58 0.00 1.15 5.15 -1.26 -4.97 115.26 109.58 1iyy n ASN 44 Ca -0.20 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1iyy n ASN 44 Cb 1.05 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 40.41 1iyy n ASN 44 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1iyy n TYR 45 N -0.70 0.00 0.00 1.20 4.01 -1.26 -5.00 117.16 115.41 1iyy n TYR 45 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1iyy n TYR 45 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.31 0.00 0.00 -0.72 0.00 -1.26 -4.82 120.64 112.53 1iyy n GLU 46 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 57.16 57.95 1iyy n GLU 46 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.18 1iyy n GLU 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1iyy n GLY 47 N -0.99 -1.45 0.00 8.31 0.00 -1.26 -5.17 105.19 104.63 1iyy n GLY 47 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1iyy n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iyy n PHE 48 N 0.00 -2.77 -2.25 1.61 3.01 -1.26 -5.04 117.46 110.76 1iyy n PHE 48 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 1iyy n PHE 48 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1iyy n PHE 48 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1iyy n ASP 49 N -2.40 0.33 -3.96 4.37 5.68 -1.26 -5.12 116.55 114.18 1iyy n ASP 49 Ca 0.00 -1.91 -0.28 0.00 -0.50 0.00 0.00 54.79 52.10 1iyy n ASP 49 Cb 0.00 -0.15 0.09 0.00 -1.14 0.00 0.00 41.12 39.92 1iyy n ASP 49 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1iyy n PHE 50 N 0.25 -1.54 -2.35 2.11 3.72 -1.26 -4.95 117.46 113.43 1iyy n PHE 50 Ca -0.02 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 1iyy n PHE 50 Cb 0.90 -1.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.01 1iyy n PHE 50 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1iyy n SER 51 N 0.92 0.35 0.00 4.37 7.64 -1.26 -5.01 113.62 120.62 1iyy n SER 51 Ca 0.01 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1iyy n SER 51 Cb 0.54 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.30 0.00 -3.97 0.44 0.31 -1.26 -5.12 118.33 109.02 1iyy n VAL 52 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 1iyy n VAL 52 Cb 1.00 -0.32 -0.02 0.00 -0.91 0.00 0.00 33.84 33.59 1iyy n VAL 52 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1iyy n SER 53 N 0.00 -0.28 -0.08 4.52 7.64 -1.26 -5.08 113.62 119.08 1iyy n SER 53 Ca 0.00 -1.63 -0.19 0.00 1.01 0.00 0.00 58.87 58.06 1iyy n SER 53 Cb 0.00 0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 63.66 1iyy n SER 53 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1iyy h SER 54 N 0.61 0.05 -0.72 6.43 0.02 -1.98 -3.42 113.55 114.54 1iyy h SER 54 Ca -0.07 -0.74 -0.46 0.00 -0.84 0.00 0.00 61.79 59.67 1iyy h SER 54 Cb 0.36 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 1iyy h SER 54 CO 0.11 1.31 1.39 -2.16 -1.14 0.00 0.00 176.83 176.34 1iyy s PRO 55 N -2.32 3.08 0.81 3.45 0.04 -1.26 -4.87 135.00 133.93 1iyy s PRO 55 Ca -0.24 -1.23 -0.14 0.00 0.04 0.00 0.00 61.00 59.44 1iyy s PRO 55 Cb 0.02 -5.31 0.19 0.00 0.04 0.00 0.00 34.50 29.44 1iyy s PRO 55 CO 0.65 -3.14 1.07 0.66 0.04 0.00 0.00 177.00 176.29 1iyy n TYR 56 N 11.85 -3.98 -3.55 0.56 4.01 -1.21 -4.42 117.16 120.42 1iyy n TYR 56 Ca 0.43 -0.95 -0.16 0.00 -0.16 0.00 0.00 57.90 57.07 1iyy n TYR 56 Cb 0.47 -0.84 -0.06 0.00 -0.31 0.00 0.00 39.34 38.60 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 -3.32 -0.53 0.03 -0.72 1.51 0.85 -1.77 117.35 113.39 1iyy s TYR 57 Ca 0.61 0.78 0.09 0.00 -1.01 0.00 0.00 57.07 57.54 1iyy s TYR 57 Cb -0.02 0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 42.18 1iyy s TYR 57 CO 0.43 -0.62 -0.26 -1.21 -1.11 0.00 0.00 175.55 172.78 1iyy s GLU 58 N -1.81 1.91 -0.27 -0.62 2.02 -0.38 -2.24 118.70 117.31 1iyy s GLU 58 Ca -0.08 -1.05 -0.24 0.00 0.02 0.00 0.00 54.97 53.62 1iyy s GLU 58 Cb -0.01 -2.02 0.08 0.00 0.10 0.00 0.00 34.13 32.28 1iyy s GLU 58 CO 0.04 0.53 0.74 -0.46 0.02 0.00 0.00 175.26 176.13 1iyy s TRP 59 N -0.76 -0.79 0.38 1.61 -0.11 -1.23 -3.09 118.94 114.95 1iyy s TRP 59 Ca 0.11 1.88 -0.26 0.00 1.22 0.00 0.00 56.10 59.05 1iyy s TRP 59 Cb -0.10 0.32 -0.09 0.00 -1.50 0.00 0.00 33.47 32.10 1iyy s TRP 59 CO 0.01 -0.38 1.22 -1.25 -4.62 0.00 0.00 176.95 171.93 1iyy s PRO 60 N 0.51 4.15 -0.09 5.86 0.04 -1.26 -3.15 135.00 141.07 1iyy s PRO 60 Ca -0.01 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.05 1iyy s PRO 60 Cb -0.05 -2.82 -0.00 0.00 0.04 0.00 0.00 34.50 31.67 1iyy s PRO 60 CO -0.02 -0.28 -0.24 -1.50 0.04 0.00 0.00 177.00 175.01 1iyy s ILE 61 N -1.30 2.13 0.34 0.56 1.10 -1.26 -4.74 121.20 118.03 1iyy s ILE 61 Ca 0.54 -1.01 0.07 0.00 -0.51 0.00 0.00 60.65 59.74 1iyy s ILE 61 Cb -0.34 -1.80 -0.07 0.00 0.15 0.00 0.00 42.46 40.40 1iyy s ILE 61 CO 0.44 0.56 -0.02 -0.76 -2.11 0.00 0.00 174.94 173.05 1iyy s LEU 62 N 0.18 2.60 -0.02 8.50 1.43 -1.26 -4.87 118.68 125.24 1iyy s LEU 62 Ca -0.14 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 1iyy s LEU 62 Cb -0.17 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.35 1iyy s LEU 62 CO 0.07 -0.40 0.92 -1.20 0.23 0.00 0.00 176.35 175.98 1iyy n SER 63 N -0.77 0.48 0.08 2.29 7.64 -1.26 -4.91 113.62 117.17 1iyy n SER 63 Ca -0.05 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.86 1iyy n SER 63 Cb 0.65 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1iyy n SER 63 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iyy n SER 64 N -0.26 -0.82 0.00 6.43 7.64 -1.26 -5.05 113.62 120.30 1iyy n SER 64 Ca 0.03 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1iyy n SER 64 Cb 0.63 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 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 0.26 -0.63 0.00 0.23 0.00 -1.26 -5.09 105.19 98.70 1iyy n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -4.64 1.61 2.03 -1.26 -5.12 116.55 109.17 1iyy n ASP 66 Ca 0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.86 1iyy n ASP 66 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1iyy n ASP 66 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1iyy n VAL 67 N 2.03 1.29 -1.65 5.18 0.31 -1.26 -4.71 118.33 119.53 1iyy n VAL 67 Ca 0.00 -0.32 -0.51 0.00 -0.01 0.00 0.00 64.34 63.50 1iyy n VAL 67 Cb 0.00 -1.26 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 1iyy n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iyy n TYR 68 N 1.26 2.13 -2.66 3.52 9.36 -1.26 -4.81 117.16 124.69 1iyy n TYR 68 Ca 0.11 0.16 -0.04 0.00 3.32 0.00 0.00 57.90 61.45 1iyy n TYR 68 Cb 0.31 -2.60 0.06 0.00 -0.63 0.00 0.00 39.34 36.48 1iyy n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1iyy n SER 69 N 7.16 -1.30 0.00 2.98 3.41 -1.26 -4.74 113.62 119.86 1iyy n SER 69 Ca 0.27 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1iyy n SER 69 Cb 0.25 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 1.95 0.47 0.00 5.00 0.00 -1.26 -5.01 105.19 106.34 1iyy n GLY 70 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -0.71 3.15 -0.02 0.00 -1.26 -5.11 105.19 101.24 1iyy n GLY 71 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.00 1iyy n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iyy s SER 72 N -4.00 -1.10 0.00 1.61 0.01 -1.26 -5.09 113.70 103.87 1iyy s SER 72 Ca 0.00 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1iyy s SER 72 Cb 0.00 1.73 0.00 0.00 0.21 0.00 0.00 66.02 67.96 1iyy s SER 72 CO 0.00 -0.20 0.05 -0.81 0.41 0.00 0.00 173.24 172.68 1iyy n PRO 73 N 5.31 0.00 -0.94 12.44 -0.04 -1.26 -5.04 135.00 145.47 1iyy n PRO 73 Ca 0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1iyy n PRO 73 Cb 0.55 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 33.51 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 2.26 -1.64 7.00 0.55 0.00 -1.26 -4.79 105.19 107.31 1iyy n GLY 74 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.52 0.00 -1.33 4.61 0.00 -1.07 -4.70 120.51 116.49 1iyy n ALA 75 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1iyy n ALA 75 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 7.06 -2.50 -2.76 0.00 8.00 -1.26 -0.56 116.55 124.53 1iyy n ASP 76 Ca 0.00 0.82 0.02 0.00 0.71 0.00 0.00 54.79 56.34 1iyy n ASP 76 Cb 0.00 -0.93 0.01 0.00 -0.02 0.00 0.00 41.12 40.18 1iyy n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1iyy s ARG 77 N -1.14 0.15 0.46 -1.24 6.06 -0.62 -4.38 118.95 118.24 1iyy s ARG 77 Ca 0.60 -0.05 -0.24 0.00 -2.50 0.00 0.00 55.73 53.55 1iyy s ARG 77 Cb -0.62 0.02 -0.07 0.00 0.06 0.00 0.00 34.95 34.34 1iyy s ARG 77 CO 0.62 -0.22 1.29 0.54 -2.50 0.00 0.00 175.30 175.03 1iyy s VAL 78 N 1.98 2.56 0.38 7.11 0.11 -1.19 -3.03 120.40 128.33 1iyy s VAL 78 Ca 0.15 0.46 0.07 0.00 -2.93 0.00 0.00 61.98 59.73 1iyy s VAL 78 Cb 0.03 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.62 1iyy s VAL 78 CO -0.15 0.03 0.38 -0.69 -3.33 0.00 0.00 175.10 171.34 1iyy s VAL 79 N -1.34 3.22 0.10 2.04 1.01 -0.63 -3.49 120.40 121.30 1iyy s VAL 79 Ca 0.63 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1iyy s VAL 79 Cb -0.37 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1iyy s VAL 79 CO 0.45 -0.09 0.32 2.22 0.00 0.00 0.00 175.10 178.00 1iyy n PHE 80 N -1.53 -1.14 0.00 5.22 -1.74 -0.95 -1.57 117.46 115.75 1iyy n PHE 80 Ca 0.02 -0.53 0.00 0.00 -0.56 0.00 0.00 57.45 56.37 1iyy n PHE 80 Cb 0.60 0.26 0.00 0.00 1.52 0.00 0.00 39.48 41.86 1iyy n PHE 80 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1iyy n ASN 81 N -0.99 0.00 -0.58 5.98 6.94 -1.26 -0.11 115.26 125.24 1iyy n ASN 81 Ca -0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.53 1iyy n ASN 81 Cb 0.20 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.61 1iyy n ASN 81 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1iyy n GLU 82 N -0.88 0.00 -0.88 -3.83 0.28 -1.26 -4.74 120.64 109.32 1iyy n GLU 82 Ca 0.00 -0.22 0.01 0.00 -0.16 0.00 0.00 57.16 56.80 1iyy n GLU 82 Cb 0.00 0.05 0.01 0.00 1.43 0.00 0.00 31.44 32.92 1iyy n GLU 82 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1iyy n ASN 83 N 0.00 0.37 -1.38 -1.84 4.13 -1.26 -4.95 115.26 110.33 1iyy n ASN 83 Ca -0.04 -1.99 -0.13 0.00 1.68 0.00 0.00 54.58 54.10 1iyy n ASN 83 Cb 0.55 -0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 1iyy n ASN 83 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1iyy n ASN 84 N 0.19 -3.55 0.00 6.41 0.23 -1.26 -4.89 115.26 112.38 1iyy n ASN 84 Ca 0.02 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.40 1iyy n ASN 84 Cb 0.87 -3.30 0.00 0.00 -2.08 0.00 0.00 39.78 35.26 1iyy n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1iyy n GLN 85 N -1.87 0.00 0.00 -3.83 1.13 -1.26 -4.86 117.38 106.69 1iyy n GLN 85 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1iyy n GLN 85 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.79 1iyy n GLN 85 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1iyy n LEU 86 N 0.00 0.00 0.13 1.08 -0.00 -1.26 -4.98 117.00 111.97 1iyy n LEU 86 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1iyy n LEU 86 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1iyy n LEU 86 CO 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 177.39 177.22 1iyy h ALA 87 N 0.00 -0.09 0.00 1.96 0.00 -1.60 -3.45 119.26 116.08 1iyy h ALA 87 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1iyy h ALA 87 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iyy h ALA 87 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1iyy n GLY 88 N 1.62 3.98 3.58 0.00 0.00 -1.26 -4.66 105.19 108.46 1iyy n GLY 88 Ca -0.15 -1.13 -0.42 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 4.69 0.17 1.61 1.01 -1.26 -1.61 120.40 123.01 1iyy s VAL 89 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1iyy s VAL 89 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1iyy s VAL 89 CO 0.00 -0.51 0.04 0.27 0.00 0.00 0.00 175.10 174.90 1iyy s ILE 90 N 3.20 3.95 0.03 2.22 -4.36 -1.17 -1.18 121.20 123.90 1iyy s ILE 90 Ca 0.32 -1.31 0.03 0.00 -0.26 0.00 0.00 60.65 59.43 1iyy s ILE 90 Cb -0.13 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1iyy s ILE 90 CO 0.18 -0.10 0.01 0.28 0.24 0.00 0.00 174.94 175.55 1iyy s THR 91 N -1.72 4.17 -0.69 8.37 -1.32 -0.98 -1.58 115.64 121.88 1iyy s THR 91 Ca 0.28 -0.73 0.04 0.00 -1.21 0.00 0.00 61.69 60.08 1iyy s THR 91 Cb -0.10 -2.91 0.29 0.00 -1.51 0.00 0.00 72.50 68.27 1iyy s THR 91 CO 0.20 0.27 0.96 1.57 -2.21 0.00 0.00 174.62 175.41 1iyy n HIS 92 N 1.05 3.60 0.00 9.09 -0.00 0.28 -3.46 115.22 125.78 1iyy n HIS 92 Ca -0.13 -3.85 0.00 0.00 0.46 0.00 0.00 57.72 54.20 1iyy n HIS 92 Cb 0.52 -0.65 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 1iyy n HIS 92 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1iyy n THR 93 N 0.47 0.00 1.82 3.57 -1.04 -1.24 -2.61 114.28 115.24 1iyy n THR 93 Ca 0.31 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.33 1iyy n THR 93 Cb 0.39 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.91 1iyy n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iyy n GLY 94 N 0.00 -0.65 2.98 3.41 0.00 -1.26 -4.65 105.19 105.01 1iyy n GLY 94 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1iyy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iyy s ALA 95 N -1.89 -0.02 0.10 4.61 0.00 -1.26 -4.98 121.76 118.31 1iyy s ALA 95 Ca 0.02 -0.30 -0.35 0.00 0.00 0.00 0.00 51.96 51.32 1iyy s ALA 95 Cb 0.01 0.08 -0.18 0.00 0.00 0.00 0.00 23.12 23.03 1iyy s ALA 95 CO 0.01 -0.13 1.00 -1.13 0.00 0.00 0.00 175.76 175.52 1iyy n SER 96 N 2.00 0.25 -2.61 0.00 3.41 -1.26 0.17 113.62 115.57 1iyy n SER 96 Ca -0.20 1.14 -0.19 0.00 -0.26 0.00 0.00 58.87 59.36 1iyy n SER 96 Cb 0.56 -1.03 0.03 0.00 -0.26 0.00 0.00 64.21 63.51 1iyy n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyy n GLY 97 N 1.84 -0.36 3.76 5.00 0.00 -1.26 -2.51 105.19 111.66 1iyy n GLY 97 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.92 -1.01 -4.45 1.61 6.94 0.44 -4.83 115.26 112.05 1iyy n ASN 98 Ca -0.10 -0.92 -0.30 0.00 -0.02 0.00 0.00 54.58 53.23 1iyy n ASN 98 Cb 0.61 -1.18 0.20 0.00 -2.36 0.00 0.00 39.78 37.06 1iyy n ASN 98 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1iyy n ASN 99 N -1.67 -1.61 -4.86 0.53 4.13 -1.04 -3.61 115.26 107.12 1iyy n ASN 99 Ca 0.03 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.96 1iyy n ASN 99 Cb 0.36 -1.21 -0.05 0.00 -1.54 0.00 0.00 39.78 37.34 1iyy n ASN 99 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1iyy s PHE 100 N -2.40 3.51 -0.28 3.10 0.08 -1.22 -4.10 117.98 116.67 1iyy s PHE 100 Ca 0.64 0.90 -0.20 0.00 0.12 0.00 0.00 56.93 58.39 1iyy s PHE 100 Cb -0.21 -2.27 0.09 0.00 -0.57 0.00 0.00 43.02 40.06 1iyy s PHE 100 CO 0.65 0.37 0.75 0.14 -0.10 0.00 0.00 175.22 177.03 1iyy s VAL 101 N -1.62 0.00 0.14 -0.44 -7.23 -1.23 -4.82 120.40 105.19 1iyy s VAL 101 Ca 0.41 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.25 1iyy s VAL 101 Cb -0.13 -1.00 -0.17 0.00 0.56 0.00 0.00 36.38 35.64 1iyy s VAL 101 CO 0.20 0.00 0.92 -0.62 -0.31 0.00 0.00 175.10 175.29 1iyy n GLU 102 N 3.58 0.45 -1.70 4.82 1.02 -1.26 -2.33 120.64 125.22 1iyy n GLU 102 Ca -0.17 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1iyy n GLU 102 Cb 0.57 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1iyy n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31