#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 1.29 -4.37 0.00 2.03 -1.14 -4.79 116.55 109.57 1iyy n ASP 3 Ca 0.00 -1.15 -0.40 0.00 0.52 0.00 0.00 54.79 53.76 1iyy n ASP 3 Cb 0.00 0.72 -0.11 0.00 -0.72 0.00 0.00 41.12 41.01 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 -2.32 3.25 -0.09 -0.67 2.02 -1.19 -5.02 117.35 113.33 1iyy s TYR 4 Ca 0.11 -0.99 -0.03 0.00 -0.37 0.00 0.00 57.07 55.78 1iyy s TYR 4 Cb 0.14 -2.43 0.05 0.00 -0.40 0.00 0.00 41.96 39.31 1iyy s TYR 4 CO 0.57 -0.65 0.13 0.95 -1.57 0.00 0.00 175.55 174.98 1iyy s THR 5 N 1.54 -0.21 -0.02 -0.71 -4.23 -1.26 -2.73 115.64 108.03 1iyy s THR 5 Ca 0.02 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1iyy s THR 5 Cb -0.19 -0.31 0.04 0.00 1.34 0.00 0.00 72.50 73.38 1iyy s THR 5 CO 0.06 0.09 0.93 0.00 -0.54 0.00 0.00 174.62 175.16 1iyy n GLY 7 N -0.51 0.85 2.52 0.00 0.00 -1.26 -4.94 105.19 101.85 1iyy n GLY 7 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1iyy n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyy n SER 8 N -0.41 -4.06 -4.06 1.61 2.88 -1.26 -4.99 113.62 103.33 1iyy n SER 8 Ca -0.24 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.00 1iyy n SER 8 Cb 0.73 -1.81 0.20 0.00 -0.75 0.00 0.00 64.21 62.58 1iyy n SER 8 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1iyy s ASN 9 N -2.04 2.69 -0.54 -3.46 0.01 -1.26 -5.03 114.94 105.31 1iyy s ASN 9 Ca 0.00 0.33 0.07 0.00 -0.71 0.00 0.00 52.86 52.55 1iyy s ASN 9 Cb 0.00 -0.40 0.25 0.00 0.41 0.00 0.00 41.25 41.51 1iyy s ASN 9 CO 0.00 -3.00 0.66 0.00 -1.51 0.00 0.00 177.10 173.24 1iyy s TYR 11 N -1.96 3.23 0.09 0.00 1.51 -1.10 -4.73 117.35 114.39 1iyy s TYR 11 Ca 0.38 1.34 -0.30 0.00 -1.01 0.00 0.00 57.07 57.48 1iyy s TYR 11 Cb 0.15 -3.44 -0.05 0.00 -0.11 0.00 0.00 41.96 38.51 1iyy s TYR 11 CO -0.05 -0.68 0.96 -1.12 -1.11 0.00 0.00 175.55 173.55 1iyy s SER 12 N 1.44 7.46 0.53 2.29 0.01 -1.25 -2.90 113.70 121.28 1iyy s SER 12 Ca 0.45 1.75 0.33 0.00 1.31 0.00 0.00 55.95 59.80 1iyy s SER 12 Cb -0.14 -2.58 1.49 0.00 0.21 0.00 0.00 66.02 64.99 1iyy s SER 12 CO 0.10 -0.10 1.86 -1.28 0.41 0.00 0.00 173.24 174.23 1iyy h SER 13 N 5.81 0.02 -0.07 2.44 0.87 -1.93 0.60 113.55 121.29 1iyy h SER 13 Ca -0.43 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 59.92 1iyy h SER 13 Cb 1.21 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1iyy h SER 13 CO 0.72 0.01 -0.77 -1.28 -0.53 0.00 0.00 176.83 174.98 1iyy h SER 14 N 0.02 0.86 0.55 6.23 0.87 -1.97 -1.68 113.55 118.43 1iyy h SER 14 Ca 0.48 -0.56 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1iyy h SER 14 Cb 1.89 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.59 1iyy h SER 14 CO -0.02 1.35 -0.24 -0.78 -0.53 0.00 0.00 176.83 176.62 1iyy h ASP 15 N 0.50 0.00 0.94 6.23 3.58 -0.28 -1.52 116.42 125.86 1iyy h ASP 15 Ca -0.05 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.24 1iyy h ASP 15 Cb 1.39 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.42 1iyy h ASP 15 CO 0.15 0.24 -0.78 0.58 -2.88 0.00 0.00 179.24 176.56 1iyy h VAL 16 N 0.00 1.47 -0.41 2.25 2.07 -0.65 -3.14 116.25 117.84 1iyy h VAL 16 Ca -0.00 -2.75 -0.11 0.00 0.82 0.00 0.00 66.70 64.65 1iyy h VAL 16 Cb 0.58 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1iyy h VAL 16 CO 0.03 0.76 -0.21 -1.28 0.02 0.00 0.00 177.57 176.90 1iyy h SER 17 N 0.00 0.82 -0.26 0.57 0.87 -0.33 0.35 113.55 115.57 1iyy h SER 17 Ca -0.01 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1iyy h SER 17 Cb 1.46 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1iyy h SER 17 CO 0.10 1.01 0.13 0.71 -0.53 0.00 0.00 176.83 178.25 1iyy h THR 18 N 0.71 1.13 0.00 2.23 1.35 -1.46 0.53 112.91 117.40 1iyy h THR 18 Ca 0.10 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1iyy h THR 18 Cb 0.72 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1iyy h THR 18 CO 0.06 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.46 1iyy h ALA 19 N 1.00 1.00 0.01 6.62 0.00 -1.47 -2.67 119.26 123.74 1iyy h ALA 19 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1iyy h ALA 19 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1iyy h ALA 19 CO -0.01 0.00 -0.88 0.37 0.00 0.00 0.00 179.25 178.72 1iyy h GLN 20 N 0.00 0.15 0.00 0.00 -0.00 0.12 -2.79 115.11 112.59 1iyy h GLN 20 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1iyy h GLN 20 Cb 0.60 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.13 1iyy h GLN 20 CO 0.00 0.93 0.00 0.00 0.00 0.00 0.00 178.83 179.76 1iyy n ALA 21 N -2.44 2.33 -0.07 3.38 0.00 0.03 -2.18 120.51 121.57 1iyy n ALA 21 Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1iyy n ALA 21 Cb 0.82 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 3.12 0.04 0.00 0.00 0.00 -1.39 -1.49 119.26 119.53 1iyy h ALA 22 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1iyy h ALA 22 Cb 0.40 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1iyy h ALA 22 CO 0.00 0.19 -0.04 0.78 0.00 0.00 0.00 179.25 180.19 1iyy h GLY 23 N -1.00 0.00 0.00 0.00 0.00 -1.61 -2.77 103.07 97.70 1iyy h GLY 23 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1iyy h GLY 23 CO -0.03 0.00 -0.12 -1.82 0.00 0.00 0.00 176.54 174.57 1iyy h TYR 24 N 0.00 0.00 -1.03 5.60 3.20 -1.54 -2.52 116.97 120.68 1iyy h TYR 24 Ca -0.00 0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.13 1iyy h TYR 24 Cb 0.44 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.62 1iyy h TYR 24 CO 0.00 0.21 0.66 0.37 -1.64 0.00 0.00 178.16 177.76 1iyy h GLN 25 N -1.00 0.39 -0.20 1.82 4.15 -1.26 0.33 115.11 119.34 1iyy h GLN 25 Ca -0.01 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.18 1iyy h GLN 25 Cb 0.28 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.89 1iyy h GLN 25 CO -0.01 0.26 -0.68 -0.07 -1.93 0.00 0.00 178.83 176.41 1iyy h LEU 26 N 0.40 0.95 -1.60 -2.39 -0.00 -1.60 -1.84 115.31 109.24 1iyy h LEU 26 Ca 0.59 -0.59 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1iyy h LEU 26 Cb 1.48 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.84 1iyy h LEU 26 CO -0.29 1.38 0.10 -0.74 -0.00 0.00 0.00 178.44 178.88 1iyy h HIS 27 N 0.57 0.35 0.00 1.13 2.76 0.08 -0.94 115.15 119.10 1iyy h HIS 27 Ca -0.03 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 57.97 1iyy h HIS 27 Cb 1.30 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.12 1iyy h HIS 27 CO 0.08 0.29 -1.16 1.05 -1.30 0.00 0.00 177.93 176.89 1iyy h GLU 28 N 0.36 0.00 -0.00 5.26 4.11 -1.18 -3.27 114.58 119.86 1iyy h GLU 28 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1iyy h GLU 28 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1iyy h GLU 28 CO -0.01 0.41 -0.16 -3.47 0.07 0.00 0.00 179.01 175.86 1iyy n ASP 29 N -3.02 0.41 0.00 3.06 2.03 -0.70 -4.90 116.55 113.43 1iyy n ASP 29 Ca -0.06 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1iyy n ASP 29 Cb 0.84 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 1iyy n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iyy n GLY 30 N 1.36 2.80 0.00 0.27 0.00 -0.40 -5.00 105.19 104.21 1iyy n GLY 30 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1iyy n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iyy n GLU 31 N -0.34 -0.84 0.00 1.61 -0.58 -1.07 -4.92 120.64 114.50 1iyy n GLU 31 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1iyy n GLU 31 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1iyy n GLU 31 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1iyy n THR 32 N -2.32 0.00 -3.70 2.62 -2.24 -1.26 -4.47 114.28 102.91 1iyy n THR 32 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1iyy n THR 32 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1iyy n THR 32 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1iyy n VAL 33 N 0.00 0.00 -0.42 2.28 0.24 -1.26 -4.80 118.33 114.37 1iyy n VAL 33 Ca 0.00 0.00 0.36 0.00 -2.04 0.00 0.00 64.34 62.66 1iyy n VAL 33 Cb 0.00 0.00 0.64 0.00 -1.47 0.00 0.00 33.84 33.01 1iyy n VAL 33 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1iyy h GLY 34 N 0.00 1.67 0.00 7.63 0.00 -1.79 -3.42 103.07 107.16 1iyy h GLY 34 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1iyy h GLY 34 CO 0.00 -0.56 0.00 -1.26 0.00 0.00 0.00 176.54 174.72 1iyy n SER 35 N -4.90 -0.09 0.00 0.19 2.88 -1.26 -5.05 113.62 105.39 1iyy n SER 35 Ca 0.39 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1iyy n SER 35 Cb 1.43 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 1iyy n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1iyy n ASN 36 N -2.20 0.00 0.00 -3.46 4.13 -1.26 -5.03 115.26 107.44 1iyy n ASN 36 Ca 0.00 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1iyy n ASN 36 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1iyy n ASN 36 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1iyy n SER 37 N -0.29 0.00 0.00 6.41 3.41 -1.26 -4.82 113.62 117.07 1iyy n SER 37 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1iyy n SER 37 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1iyy n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iyy n TYR 38 N 0.24 0.00 -2.32 7.33 4.19 -1.26 -4.71 117.16 120.62 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 2.96 -0.02 2.98 0.04 -1.25 -4.51 135.00 135.21 1iyy s PRO 39 Ca 0.00 0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.22 1iyy s PRO 39 Cb 0.00 -4.26 0.01 0.00 0.04 0.00 0.00 34.50 30.29 1iyy s PRO 39 CO 0.00 -2.37 0.03 -1.01 0.04 0.00 0.00 177.00 173.69 1iyy s HIS 40 N 7.18 -0.02 0.10 0.56 0.09 -1.18 -4.87 115.29 117.14 1iyy s HIS 40 Ca 0.50 0.11 -0.35 0.00 -0.00 0.00 0.00 55.06 55.32 1iyy s HIS 40 Cb -0.10 -0.05 -0.18 0.00 -0.00 0.00 0.00 32.58 32.25 1iyy s HIS 40 CO 0.18 -0.04 0.97 0.36 -0.00 0.00 0.00 174.74 176.21 1iyy n LYS 41 N 3.39 0.38 -3.36 1.40 -0.00 -1.26 -1.35 118.16 117.37 1iyy n LYS 41 Ca -0.17 0.14 -0.24 0.00 -0.00 0.00 0.00 58.31 58.04 1iyy n LYS 41 Cb 0.57 -1.51 -0.01 0.00 -0.00 0.00 0.00 35.03 34.07 1iyy n LYS 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1iyy s TYR 42 N -0.29 3.50 -0.17 5.58 5.04 -1.05 -4.65 117.35 125.30 1iyy s TYR 42 Ca 0.79 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 1iyy s TYR 42 Cb -1.05 -1.92 -0.11 0.00 0.35 0.00 0.00 41.96 39.23 1iyy s TYR 42 CO 0.55 0.12 -0.15 0.09 -1.34 0.00 0.00 175.55 174.82 1iyy n ASN 43 N -1.70 2.65 -1.73 4.32 3.02 -1.26 -3.62 115.26 116.93 1iyy n ASN 43 Ca -0.04 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1iyy n ASN 43 Cb 0.56 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1iyy n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1iyy n ASN 44 N -3.01 -8.55 0.00 6.41 6.94 -1.26 -5.00 115.26 110.79 1iyy n ASN 44 Ca -0.31 1.21 0.00 0.00 -0.02 0.00 0.00 54.58 55.46 1iyy n ASN 44 Cb 0.83 -4.47 0.00 0.00 -2.36 0.00 0.00 39.78 33.78 1iyy n ASN 44 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1iyy n TYR 45 N 0.76 0.00 0.00 -2.53 4.01 -1.26 -5.00 117.16 113.13 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 -1.06 0.00 0.00 -0.72 0.00 -1.26 -4.69 120.64 112.92 1iyy n GLU 46 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 57.16 57.79 1iyy n GLU 46 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 31.44 30.44 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 -0.96 -1.16 3.97 8.31 0.00 -1.26 -5.17 105.19 108.92 1iyy n GLY 47 Ca 0.00 0.49 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 1.57 -0.01 1.61 0.40 -1.26 -5.02 117.98 115.28 1iyy s PHE 48 Ca 0.00 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1iyy s PHE 48 Cb 0.00 -3.49 0.02 0.00 0.51 0.00 0.00 43.02 40.06 1iyy s PHE 48 CO 0.00 -2.14 0.76 -0.25 0.70 0.00 0.00 175.22 174.30 1iyy n ASP 49 N -3.25 0.90 -3.19 1.36 9.92 -1.26 -5.07 116.55 115.96 1iyy n ASP 49 Ca 0.15 -1.57 -0.13 0.00 -0.53 0.00 0.00 54.79 52.71 1iyy n ASP 49 Cb 0.60 -0.04 0.07 0.00 -0.64 0.00 0.00 41.12 41.12 1iyy n ASP 49 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1iyy n PHE 50 N -0.27 -3.41 -2.56 1.24 1.16 -1.26 -5.05 117.46 107.31 1iyy n PHE 50 Ca 0.01 -0.80 -0.01 0.00 -1.87 0.00 0.00 57.45 54.78 1iyy n PHE 50 Cb 0.43 -0.42 0.04 0.00 -1.61 0.00 0.00 39.48 37.92 1iyy n PHE 50 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1iyy n SER 51 N -3.10 -0.50 -0.34 5.98 7.64 -1.26 -4.99 113.62 117.04 1iyy n SER 51 Ca 0.08 -1.40 0.12 0.00 1.01 0.00 0.00 58.87 58.69 1iyy n SER 51 Cb 0.30 0.26 0.32 0.00 -1.01 0.00 0.00 64.21 64.08 1iyy n SER 51 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1iyy h VAL 52 N 1.19 0.76 -1.12 0.44 2.07 -1.90 -3.44 116.25 114.24 1iyy h VAL 52 Ca -0.16 -0.27 0.24 0.00 0.82 0.00 0.00 66.70 67.32 1iyy h VAL 52 Cb 1.10 -0.10 -0.26 0.00 -1.52 0.00 0.00 31.29 30.51 1iyy h VAL 52 CO -0.07 0.14 0.91 -0.94 0.02 0.00 0.00 177.57 177.64 1iyy s SER 53 N -5.52 -0.07 0.09 0.57 1.04 -1.26 -5.00 113.70 103.55 1iyy s SER 53 Ca -0.11 0.07 -0.27 0.00 0.48 0.00 0.00 55.95 56.12 1iyy s SER 53 Cb 0.24 0.06 -0.15 0.00 0.10 0.00 0.00 66.02 66.27 1iyy s SER 53 CO 0.80 -0.07 1.69 0.28 0.98 0.00 0.00 173.24 176.92 1iyy h SER 54 N 2.09 -0.36 -0.85 7.02 0.02 -1.99 -3.33 113.55 116.16 1iyy h SER 54 Ca -0.09 0.02 -0.49 0.00 -0.84 0.00 0.00 61.79 60.40 1iyy h SER 54 Cb 1.18 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 1iyy h SER 54 CO 0.23 -0.23 1.35 -2.16 -1.14 0.00 0.00 176.83 174.88 1iyy s PRO 55 N -6.13 3.20 0.00 3.45 0.04 -1.26 -4.89 135.00 129.41 1iyy s PRO 55 Ca -0.15 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 59.83 1iyy s PRO 55 Cb 0.06 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1iyy s PRO 55 CO 0.65 -2.83 0.00 0.66 0.04 0.00 0.00 177.00 175.52 1iyy n TYR 56 N 11.11 -3.56 -3.15 0.56 4.01 -1.24 -4.48 117.16 120.41 1iyy n TYR 56 Ca 0.40 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.18 1iyy n TYR 56 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.92 -1.46 0.18 -0.72 2.02 0.54 -2.53 117.35 114.47 1iyy s TYR 57 Ca 0.00 1.31 -0.30 0.00 -0.37 0.00 0.00 57.07 57.71 1iyy s TYR 57 Cb 0.00 0.42 -0.08 0.00 -0.40 0.00 0.00 41.96 41.91 1iyy s TYR 57 CO 0.00 -0.82 0.99 -1.83 -1.57 0.00 0.00 175.55 172.32 1iyy s GLU 58 N 2.87 4.74 -0.27 -0.62 -1.05 -0.45 -2.56 118.70 121.35 1iyy s GLU 58 Ca 0.15 1.53 -0.25 0.00 -0.15 0.00 0.00 54.97 56.26 1iyy s GLU 58 Cb -0.12 -3.31 0.08 0.00 -0.44 0.00 0.00 34.13 30.33 1iyy s GLU 58 CO -0.21 0.31 0.75 -0.46 0.95 0.00 0.00 175.26 176.60 1iyy s TRP 59 N -0.57 -0.76 0.74 4.83 -0.11 -0.87 -3.12 118.94 119.09 1iyy s TRP 59 Ca 0.45 1.85 -0.11 0.00 1.22 0.00 0.00 56.10 59.51 1iyy s TRP 59 Cb -0.26 0.29 0.04 0.00 -1.50 0.00 0.00 33.47 32.04 1iyy s TRP 59 CO 0.32 -0.37 1.09 -1.25 -4.62 0.00 0.00 176.95 172.13 1iyy s PRO 60 N 0.39 2.44 -0.02 5.86 0.04 -1.26 -0.90 135.00 141.54 1iyy s PRO 60 Ca 0.00 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.26 1iyy s PRO 60 Cb -0.05 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1iyy s PRO 60 CO -0.00 -1.50 -0.09 -1.50 0.04 0.00 0.00 177.00 173.94 1iyy s ILE 61 N -2.80 0.77 0.46 0.56 1.10 -1.26 -4.66 121.20 115.36 1iyy s ILE 61 Ca 0.62 -0.36 0.04 0.00 -0.51 0.00 0.00 60.65 60.43 1iyy s ILE 61 Cb -0.17 -0.68 -0.04 0.00 0.15 0.00 0.00 42.46 41.72 1iyy s ILE 61 CO 0.53 0.24 0.02 -0.76 -2.11 0.00 0.00 174.94 172.85 1iyy s LEU 62 N 0.12 2.46 -0.14 8.50 1.43 -1.26 -4.88 118.68 124.91 1iyy s LEU 62 Ca -0.02 -1.54 0.18 0.00 -1.03 0.00 0.00 54.13 51.72 1iyy s LEU 62 Cb -0.08 -0.72 0.43 0.00 0.03 0.00 0.00 46.19 45.86 1iyy s LEU 62 CO 0.00 -0.71 1.19 -1.20 0.23 0.00 0.00 176.35 175.87 1iyy n SER 63 N -1.13 1.68 0.00 2.29 7.64 -1.26 -4.84 113.62 118.00 1iyy n SER 63 Ca -0.12 -2.98 -0.04 0.00 1.01 0.00 0.00 58.87 56.75 1iyy n SER 63 Cb 0.67 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 1iyy n SER 63 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1iyy n SER 64 N -0.39 1.27 0.00 6.43 2.88 -1.26 -5.07 113.62 117.48 1iyy n SER 64 Ca 0.15 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1iyy n SER 64 Cb 0.91 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1iyy n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyy n GLY 65 N 2.83 -0.13 3.43 0.46 0.00 -1.26 -5.17 105.19 105.34 1iyy n GLY 65 Ca -0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1iyy n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iyy s ASP 66 N 0.00 -0.50 0.03 1.61 2.15 -1.26 -5.14 116.67 113.56 1iyy s ASP 66 Ca 0.00 0.48 -0.26 0.00 0.43 0.00 0.00 52.55 53.20 1iyy s ASP 66 Cb 0.00 0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 43.04 1iyy s ASP 66 CO 0.00 -0.58 0.81 -0.69 -0.17 0.00 0.00 175.17 174.55 1iyy s VAL 67 N -1.37 4.76 0.27 1.11 1.01 -1.26 -4.81 120.40 120.11 1iyy s VAL 67 Ca -0.11 1.73 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 1iyy s VAL 67 Cb -0.02 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 1iyy s VAL 67 CO 0.07 0.31 1.43 0.00 0.00 0.00 0.00 175.10 176.92 1iyy n TYR 68 N 3.10 2.35 -2.74 5.22 4.19 -1.26 -4.91 117.16 123.11 1iyy n TYR 68 Ca -0.00 0.41 -0.09 0.00 3.31 0.00 0.00 57.90 61.53 1iyy n TYR 68 Cb 0.50 -2.49 0.07 0.00 0.49 0.00 0.00 39.34 37.92 1iyy n TYR 68 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1iyy n SER 69 N 1.93 -0.62 0.00 2.98 7.64 -1.26 -4.49 113.62 119.80 1iyy n SER 69 Ca 0.10 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.21 1iyy n SER 69 Cb 0.33 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1iyy n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyy n GLY 70 N -0.21 -0.61 0.00 0.23 0.00 -1.26 -3.94 105.19 99.41 1iyy n GLY 70 Ca 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.27 0.85 2.92 -0.02 0.00 -1.26 -4.97 105.19 102.43 1iyy n GLY 71 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 1iyy n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyy n SER 72 N 0.00 -7.49 -4.80 1.61 7.64 -1.26 -4.98 113.62 104.34 1iyy n SER 72 Ca 0.00 0.91 -0.29 0.00 1.01 0.00 0.00 58.87 60.50 1iyy n SER 72 Cb 0.00 -4.19 0.12 0.00 -1.01 0.00 0.00 64.21 59.12 1iyy n SER 72 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1iyy s PRO 73 N -1.73 1.49 0.00 1.43 0.04 -1.26 -4.95 135.00 130.02 1iyy s PRO 73 Ca 0.08 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1iyy s PRO 73 Cb -0.02 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1iyy s PRO 73 CO 0.61 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 176.13 1iyy n GLY 74 N -2.81 -0.80 7.00 0.56 0.00 -1.26 -5.11 105.19 102.77 1iyy n GLY 74 Ca 0.08 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.46 0.00 -0.84 4.61 0.00 -1.13 -4.80 120.51 117.89 1iyy n ALA 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1iyy n ALA 75 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.50 -3.13 -3.15 0.00 8.00 -1.26 0.00 116.55 115.52 1iyy n ASP 76 Ca 0.00 0.06 0.05 0.00 0.71 0.00 0.00 54.79 55.61 1iyy n ASP 76 Cb 0.00 -0.86 -0.01 0.00 -0.02 0.00 0.00 41.12 40.23 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 -2.87 0.20 0.48 -1.24 3.52 0.70 -4.51 118.95 115.23 1iyy s ARG 77 Ca 0.48 0.27 -0.19 0.00 -0.13 0.00 0.00 55.73 56.17 1iyy s ARG 77 Cb -0.09 0.14 -0.09 0.00 -1.56 0.00 0.00 34.95 33.35 1iyy s ARG 77 CO 0.69 -0.30 0.97 0.54 -0.81 0.00 0.00 175.30 176.39 1iyy s VAL 78 N 2.94 4.42 0.34 7.11 0.11 -0.08 -2.11 120.40 133.14 1iyy s VAL 78 Ca 0.13 1.33 0.09 0.00 -2.93 0.00 0.00 61.98 60.61 1iyy s VAL 78 Cb -0.06 -3.65 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 1iyy s VAL 78 CO -0.18 -0.50 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.32 1iyy s VAL 79 N -2.39 2.20 0.00 2.04 1.01 -0.45 -2.05 120.40 120.77 1iyy s VAL 79 Ca 0.61 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 60.39 1iyy s VAL 79 Cb -0.10 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1iyy s VAL 79 CO 0.22 -0.20 0.00 2.22 0.00 0.00 0.00 175.10 177.35 1iyy n PHE 80 N -0.79 -0.68 0.00 5.22 -1.74 -1.06 -1.29 117.46 117.12 1iyy n PHE 80 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.84 1iyy n PHE 80 Cb 0.64 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.64 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 -0.68 1.25 0.00 5.98 0.23 -1.26 -0.34 115.26 120.44 1iyy n ASN 81 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1iyy n ASN 81 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1iyy n ASN 81 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1iyy n GLU 82 N -2.75 0.00 -0.21 -3.83 0.28 -1.26 -4.77 120.64 108.10 1iyy n GLU 82 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1iyy n GLU 82 Cb 0.44 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.44 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 1.94 0.00 -1.84 3.02 -1.26 -4.82 115.26 112.30 1iyy n ASN 83 Ca 0.00 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.41 1iyy n ASN 83 Cb 0.00 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1iyy n ASN 83 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1iyy n ASN 84 N 0.24 -2.65 -3.64 6.41 6.94 -1.26 -4.99 115.26 116.31 1iyy n ASN 84 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1iyy n ASN 84 Cb 0.38 -1.45 0.00 0.00 -2.36 0.00 0.00 39.78 36.34 1iyy n ASN 84 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iyy n GLN 85 N -1.61 0.50 -3.52 -3.83 3.00 -1.26 -4.94 117.38 105.72 1iyy n GLN 85 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1iyy n GLN 85 Cb 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.23 1iyy n GLN 85 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1iyy s LEU 86 N 0.00 0.06 0.21 1.08 1.98 -1.26 -4.71 118.68 116.03 1iyy s LEU 86 Ca 0.00 -0.50 -0.03 0.00 -2.89 0.00 0.00 54.13 50.71 1iyy s LEU 86 Cb 0.00 0.16 0.17 0.00 0.66 0.00 0.00 46.19 47.18 1iyy s LEU 86 CO 0.00 -0.35 1.58 0.00 -1.89 0.00 0.00 176.35 175.69 1iyy h ALA 87 N 8.34 0.81 0.00 5.97 0.00 -1.50 -3.46 119.26 129.42 1iyy h ALA 87 Ca -0.16 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1iyy h ALA 87 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1iyy h ALA 87 CO 0.31 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1iyy n GLY 88 N -0.03 3.51 3.31 0.00 0.00 -1.25 -4.79 105.19 105.94 1iyy n GLY 88 Ca -0.01 -1.27 -0.46 0.00 0.00 0.00 0.00 46.02 44.28 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 5.54 0.46 1.61 1.01 -1.26 -1.33 120.40 124.42 1iyy s VAL 89 Ca 0.00 -2.72 -0.15 0.00 0.00 0.00 0.00 61.98 59.11 1iyy s VAL 89 Cb 0.00 -4.41 -0.08 0.00 0.00 0.00 0.00 36.38 31.89 1iyy s VAL 89 CO 0.00 -1.05 0.89 0.27 0.00 0.00 0.00 175.10 175.21 1iyy s ILE 90 N -0.17 4.62 0.30 2.22 -4.36 -0.90 -2.71 121.20 120.21 1iyy s ILE 90 Ca 0.21 1.00 0.08 0.00 -0.26 0.00 0.00 60.65 61.68 1iyy s ILE 90 Cb -0.11 -3.71 -0.04 0.00 1.25 0.00 0.00 42.46 39.85 1iyy s ILE 90 CO -0.09 -0.57 0.11 0.28 0.24 0.00 0.00 174.94 174.91 1iyy s THR 91 N -2.47 3.45 -0.50 8.37 -1.32 -1.14 -0.21 115.64 121.82 1iyy s THR 91 Ca 0.56 -1.70 0.05 0.00 -1.21 0.00 0.00 61.69 59.39 1iyy s THR 91 Cb -0.10 -3.02 0.39 0.00 -1.51 0.00 0.00 72.50 68.26 1iyy s THR 91 CO 0.29 -0.28 1.06 1.57 -2.21 0.00 0.00 174.62 175.06 1iyy n HIS 92 N -1.08 3.66 -3.52 9.09 -0.00 0.10 -3.41 115.22 120.06 1iyy n HIS 92 Ca -0.05 -3.44 0.00 0.00 0.46 0.00 0.00 57.72 54.69 1iyy n HIS 92 Cb 0.60 -0.26 -0.05 0.00 -0.12 0.00 0.00 29.99 30.16 1iyy n HIS 92 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1iyy s THR 93 N -5.12 -0.16 0.00 3.57 2.01 -1.21 -2.86 115.64 111.88 1iyy s THR 93 Ca 0.48 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1iyy s THR 93 Cb 0.35 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1iyy s THR 93 CO -0.17 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 1iyy n GLY 94 N 4.06 1.85 2.98 4.40 0.00 -1.26 -4.93 105.19 112.30 1iyy n GLY 94 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.01 3.59 -0.67 4.61 0.00 -1.06 -4.87 121.76 121.36 1iyy s ALA 95 Ca 0.00 -3.49 -0.15 0.00 0.00 0.00 0.00 51.96 48.31 1iyy s ALA 95 Cb 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.82 1iyy s ALA 95 CO 0.00 -2.07 0.63 0.43 0.00 0.00 0.00 175.76 174.75 1iyy n SER 96 N 2.78 -5.36 0.00 0.00 7.64 -1.26 -2.56 113.62 114.85 1iyy n SER 96 Ca 0.11 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1iyy n SER 96 Cb 0.34 -1.99 0.00 0.00 -1.01 0.00 0.00 64.21 61.56 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 -1.06 2.01 0.00 0.23 0.00 -1.26 -4.65 105.19 100.46 1iyy n GLY 97 Ca -0.20 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 4.12 0.00 -1.31 1.61 0.23 -1.06 -4.07 115.26 114.79 1iyy n ASN 98 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 1iyy n ASN 98 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 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 -0.59 -7.06 -4.87 0.53 5.15 -1.25 -2.55 115.26 104.61 1iyy n ASN 99 Ca 0.00 1.52 -0.35 0.00 -0.60 0.00 0.00 54.58 55.15 1iyy n ASN 99 Cb 0.00 -4.16 -0.05 0.00 -0.53 0.00 0.00 39.78 35.03 1iyy n ASN 99 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1iyy s PHE 100 N -4.98 3.60 -0.25 1.20 0.40 -1.22 -3.81 117.98 112.91 1iyy s PHE 100 Ca 0.00 0.66 -0.16 0.00 -0.60 0.00 0.00 56.93 56.84 1iyy s PHE 100 Cb 0.00 -2.06 0.07 0.00 0.51 0.00 0.00 43.02 41.55 1iyy s PHE 100 CO 0.00 0.61 0.63 0.14 0.70 0.00 0.00 175.22 177.30 1iyy s VAL 101 N -1.27 -0.01 -0.10 -0.44 -7.23 -1.24 -4.83 120.40 105.28 1iyy s VAL 101 Ca 0.27 0.02 -0.40 0.00 -1.81 0.00 0.00 61.98 60.06 1iyy s VAL 101 Cb -0.14 -0.91 -0.18 0.00 0.56 0.00 0.00 36.38 35.72 1iyy s VAL 101 CO 0.15 0.01 1.42 -1.84 -0.31 0.00 0.00 175.10 174.53 1iyy n GLU 102 N 4.08 0.77 -0.79 4.82 0.28 -1.26 -2.87 120.64 125.68 1iyy n GLU 102 Ca -0.20 0.28 -0.34 0.00 -0.16 0.00 0.00 57.16 56.74 1iyy n GLU 102 Cb 0.58 -1.89 0.12 0.00 1.43 0.00 0.00 31.44 31.68 1iyy n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97