#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 0.81 -4.37 0.00 2.03 -1.16 -4.67 116.55 109.18 1iyy n ASP 3 Ca 0.00 0.58 -0.34 0.00 0.52 0.00 0.00 54.79 55.55 1iyy n ASP 3 Cb 0.00 -0.79 -0.14 0.00 -0.72 0.00 0.00 41.12 39.47 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 -3.11 2.89 -0.26 -0.67 2.02 -1.17 -4.99 117.35 112.06 1iyy s TYR 4 Ca 0.10 -0.69 -0.02 0.00 -0.37 0.00 0.00 57.07 56.09 1iyy s TYR 4 Cb 0.12 -1.94 0.14 0.00 -0.40 0.00 0.00 41.96 39.89 1iyy s TYR 4 CO 0.59 -0.29 0.42 0.99 -1.57 0.00 0.00 175.55 175.69 1iyy s THR 5 N 0.69 -0.67 -0.92 -0.71 2.01 -1.26 -2.42 115.64 112.35 1iyy s THR 5 Ca -0.05 -0.07 0.13 0.00 0.31 0.00 0.00 61.69 62.01 1iyy s THR 5 Cb -0.15 -0.86 0.60 0.00 0.01 0.00 0.00 72.50 72.10 1iyy s THR 5 CO 0.02 -0.11 1.46 0.00 -0.69 0.00 0.00 174.62 175.30 1iyy n GLY 7 N 0.78 1.24 0.83 0.00 0.00 -1.26 -4.96 105.19 101.81 1iyy n GLY 7 Ca 0.21 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1iyy n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iyy n SER 8 N 0.00 2.31 -2.20 1.61 3.41 -1.26 -4.88 113.62 112.61 1iyy n SER 8 Ca 0.00 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 1iyy n SER 8 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1iyy n SER 8 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1iyy n ASN 9 N 0.32 -0.03 -3.03 4.04 4.13 -1.26 -5.06 115.26 114.38 1iyy n ASN 9 Ca 0.11 -0.80 -0.16 0.00 1.68 0.00 0.00 54.58 55.40 1iyy n ASN 9 Cb 0.45 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.67 1iyy n ASN 9 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iyy s TYR 11 N 0.03 3.48 -0.14 0.00 1.51 -1.02 -4.69 117.35 116.53 1iyy s TYR 11 Ca 0.33 1.55 -0.26 0.00 -1.01 0.00 0.00 57.07 57.67 1iyy s TYR 11 Cb 0.12 -3.18 -0.02 0.00 -0.11 0.00 0.00 41.96 38.77 1iyy s TYR 11 CO -0.16 -0.26 0.85 -1.12 -1.11 0.00 0.00 175.55 173.76 1iyy s SER 12 N 1.11 7.02 0.60 2.29 0.01 -1.25 -3.00 113.70 120.48 1iyy s SER 12 Ca 0.47 1.25 0.29 0.00 1.31 0.00 0.00 55.95 59.26 1iyy s SER 12 Cb -0.18 -2.47 1.24 0.00 0.21 0.00 0.00 66.02 64.83 1iyy s SER 12 CO 0.16 -0.37 1.62 -1.28 0.41 0.00 0.00 173.24 173.78 1iyy h SER 13 N 7.22 0.00 0.04 2.44 0.87 -1.91 0.77 113.55 122.98 1iyy h SER 13 Ca -0.31 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.06 1iyy h SER 13 Cb 1.14 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1iyy h SER 13 CO 0.83 0.00 -0.77 -1.28 -0.53 0.00 0.00 176.83 175.08 1iyy h SER 14 N 0.00 0.60 0.45 6.23 0.87 -1.98 -2.49 113.55 117.23 1iyy h SER 14 Ca 0.37 -0.80 -0.04 0.00 -1.23 0.00 0.00 61.79 60.08 1iyy h SER 14 Cb 2.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1iyy h SER 14 CO -0.00 1.34 -0.20 0.44 -0.53 0.00 0.00 176.83 177.88 1iyy h ASP 15 N -0.06 0.00 0.39 6.23 5.19 0.06 -1.30 116.42 126.94 1iyy h ASP 15 Ca -0.11 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.14 1iyy h ASP 15 Cb 1.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 1iyy h ASP 15 CO 0.15 0.20 -0.67 0.58 -3.12 0.00 0.00 179.24 176.38 1iyy h VAL 16 N 0.00 1.41 -0.73 -1.35 2.07 -0.87 -3.00 116.25 113.77 1iyy h VAL 16 Ca -0.00 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.40 1iyy h VAL 16 Cb 0.47 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1iyy h VAL 16 CO 0.03 0.62 0.44 0.77 0.02 0.00 0.00 177.57 179.45 1iyy h SER 17 N 0.17 0.88 -0.26 0.57 4.64 -0.76 0.85 113.55 119.64 1iyy h SER 17 Ca -0.02 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1iyy h SER 17 Cb 1.20 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1iyy h SER 17 CO 0.10 0.69 0.17 0.71 -0.87 0.00 0.00 176.83 177.63 1iyy h THR 18 N 1.00 1.08 0.00 2.95 1.35 -1.41 0.51 112.91 118.39 1iyy h THR 18 Ca 0.26 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1iyy h THR 18 Cb -0.03 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1iyy h THR 18 CO -0.05 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1iyy n ALA 19 N -2.18 2.05 0.04 6.62 0.00 -0.91 -2.48 120.51 123.65 1iyy n ALA 19 Ca -0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1iyy n ALA 19 Cb 0.04 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.98 1iyy n ALA 19 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1iyy h GLN 20 N 0.00 0.03 0.00 0.00 -0.00 0.27 -3.16 115.11 112.25 1iyy h GLN 20 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1iyy h GLN 20 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.92 1iyy h GLN 20 CO 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 178.83 179.68 1iyy h ALA 21 N 0.95 0.99 -0.10 3.38 0.00 -0.67 -2.34 119.26 121.47 1iyy h ALA 21 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1iyy h ALA 21 Cb 1.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1iyy h ALA 21 CO 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.25 1iyy h ALA 22 N 2.33 0.14 -0.02 0.00 0.00 -1.47 -0.22 119.26 120.02 1iyy h ALA 22 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1iyy h ALA 22 Cb 0.84 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1iyy h ALA 22 CO 0.00 0.01 -0.67 0.78 0.00 0.00 0.00 179.25 179.37 1iyy h GLY 23 N -0.18 0.11 1.81 0.00 0.00 -1.57 -2.49 103.07 100.75 1iyy h GLY 23 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1iyy h GLY 23 CO 0.03 0.13 -0.37 -1.82 0.00 0.00 0.00 176.54 174.51 1iyy h TYR 24 N 0.07 0.25 -0.03 5.60 3.20 -1.32 0.40 116.97 125.13 1iyy h TYR 24 Ca -0.01 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 1iyy h TYR 24 Cb 1.19 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1iyy h TYR 24 CO 0.01 0.56 -0.16 0.37 -1.64 0.00 0.00 178.16 177.30 1iyy h GLN 25 N 0.19 0.17 0.00 1.82 4.15 -0.84 -0.63 115.11 119.97 1iyy h GLN 25 Ca 0.02 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1iyy h GLN 25 Cb 0.74 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.46 1iyy h GLN 25 CO 0.06 0.79 -0.03 1.25 -1.93 0.00 0.00 178.83 178.97 1iyy h LEU 26 N -0.41 0.00 0.00 -2.39 5.85 -1.34 -1.22 115.31 115.81 1iyy h LEU 26 Ca -0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1iyy h LEU 26 Cb 0.82 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1iyy h LEU 26 CO 0.03 0.03 -0.96 -0.74 -0.34 0.00 0.00 178.44 176.47 1iyy h HIS 27 N 0.00 0.00 0.00 1.25 2.76 -0.71 -2.55 115.15 115.90 1iyy h HIS 27 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1iyy h HIS 27 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1iyy h HIS 27 CO 0.00 0.48 -0.47 -1.91 -1.30 0.00 0.00 177.93 174.73 1iyy n GLU 28 N -3.01 0.09 -0.00 5.26 2.13 -0.26 -3.76 120.64 121.08 1iyy n GLU 28 Ca -0.04 0.03 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1iyy n GLU 28 Cb 0.76 -1.56 -0.08 0.00 0.27 0.00 0.00 31.44 30.83 1iyy n GLU 28 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1iyy n ASP 29 N -1.70 0.82 -0.29 4.31 2.03 -0.74 -4.97 116.55 116.02 1iyy n ASP 29 Ca 0.05 -0.68 -0.04 0.00 0.52 0.00 0.00 54.79 54.65 1iyy n ASP 29 Cb 0.37 1.10 -0.02 0.00 -0.72 0.00 0.00 41.12 41.85 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 1.37 0.64 0.00 0.27 0.00 -0.99 -5.00 105.19 101.48 1iyy n GLY 30 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.14 1.67 -3.76 1.61 4.07 -1.05 -5.04 120.64 116.00 1iyy n GLU 31 Ca -0.04 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.97 1iyy n GLU 31 Cb 0.22 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.57 1iyy n GLU 31 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1iyy s THR 32 N 0.15 0.01 0.00 6.31 -4.23 -1.26 -4.88 115.64 111.73 1iyy s THR 32 Ca 0.00 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1iyy s THR 32 Cb 0.00 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1iyy s THR 32 CO 0.00 -0.03 0.00 1.33 -0.54 0.00 0.00 174.62 175.38 1iyy n VAL 33 N -0.41 0.00 0.74 2.29 0.24 -1.26 -4.67 118.33 115.26 1iyy n VAL 33 Ca -0.08 0.23 0.03 0.00 -2.04 0.00 0.00 64.34 62.48 1iyy n VAL 33 Cb 0.61 -1.22 0.11 0.00 -1.47 0.00 0.00 33.84 31.88 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 2.57 1.27 2.42 7.63 0.00 -1.26 -4.82 105.19 113.00 1iyy n GLY 34 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.17 -4.73 0.00 1.61 7.64 -1.26 -4.81 113.62 112.24 1iyy n SER 35 Ca 0.08 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1iyy n SER 35 Cb 0.41 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 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 -0.32 1.49 -2.37 6.43 3.02 -1.26 -5.03 115.26 117.21 1iyy n ASN 36 Ca -0.14 -1.53 -0.02 0.00 -0.03 0.00 0.00 54.58 52.86 1iyy n ASN 36 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.27 -5.43 -0.05 6.41 2.88 -1.26 -4.95 113.62 110.95 1iyy n SER 37 Ca 0.00 0.08 -0.14 0.00 -1.33 0.00 0.00 58.87 57.48 1iyy n SER 37 Cb 0.15 -3.55 -0.08 0.00 -0.75 0.00 0.00 64.21 59.99 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 0.59 0.52 -3.06 0.66 5.03 -1.94 -3.40 116.97 115.37 1iyy h TYR 38 Ca 0.00 -0.19 -0.55 0.00 2.58 0.00 0.00 58.73 60.56 1iyy h TYR 38 Cb 0.85 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.98 1iyy h TYR 38 CO 0.10 0.89 1.06 -1.25 -1.32 0.00 0.00 178.16 177.64 1iyy s PRO 39 N -3.96 3.43 0.25 1.82 0.04 -1.26 -4.57 135.00 130.74 1iyy s PRO 39 Ca -0.14 0.51 0.02 0.00 0.04 0.00 0.00 61.00 61.43 1iyy s PRO 39 Cb 0.05 -4.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 1iyy s PRO 39 CO 0.78 -1.77 0.06 -2.39 0.04 0.00 0.00 177.00 173.71 1iyy n HIS 40 N 9.06 0.27 -4.29 0.56 1.44 -1.13 -4.93 115.22 116.20 1iyy n HIS 40 Ca 0.12 -1.45 -0.33 0.00 -2.01 0.00 0.00 57.72 54.05 1iyy n HIS 40 Cb 0.49 -0.06 -0.09 0.00 0.12 0.00 0.00 29.99 30.45 1iyy n HIS 40 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1iyy s LYS 41 N -2.93 2.88 0.28 -1.40 0.00 -1.26 -0.91 119.74 116.40 1iyy s LYS 41 Ca 0.08 -0.53 0.07 0.00 0.00 0.00 0.00 55.97 55.58 1iyy s LYS 41 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 37.83 35.07 1iyy s LYS 41 CO 0.06 0.65 0.28 -0.47 0.00 0.00 0.00 175.35 175.87 1iyy s TYR 42 N -1.04 3.14 0.00 1.78 5.04 -1.09 -4.77 117.35 120.41 1iyy s TYR 42 Ca 0.18 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 1iyy s TYR 42 Cb -0.12 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.62 1iyy s TYR 42 CO 0.08 0.38 0.00 0.09 -1.34 0.00 0.00 175.55 174.76 1iyy n ASN 43 N -1.31 2.51 -1.74 4.32 4.13 -1.26 -3.02 115.26 118.88 1iyy n ASN 43 Ca -0.06 -0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.05 1iyy n ASN 43 Cb 0.58 0.81 0.00 0.00 -1.54 0.00 0.00 39.78 39.63 1iyy n ASN 43 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1iyy n ASN 44 N -1.06 -8.99 0.00 6.41 5.15 -1.26 -5.03 115.26 110.48 1iyy n ASN 44 Ca 0.00 1.26 0.00 0.00 -0.60 0.00 0.00 54.58 55.24 1iyy n ASN 44 Cb 0.00 -4.66 0.00 0.00 -0.53 0.00 0.00 39.78 34.59 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 0.42 0.00 -0.06 1.20 4.01 -1.26 -4.99 117.16 116.48 1iyy n TYR 45 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1iyy n TYR 45 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.29 -0.06 0.00 -0.72 0.00 -1.26 -4.79 120.64 112.51 1iyy n GLU 46 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1iyy n GLU 46 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 29.99 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 -1.04 -1.24 1.89 8.31 0.00 -1.26 -5.17 105.19 106.69 1iyy n GLY 47 Ca 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.35 -0.00 1.61 3.72 -1.26 -5.04 117.46 113.14 1iyy n PHE 48 Ca 0.00 -0.80 0.01 0.00 -0.05 0.00 0.00 57.45 56.62 1iyy n PHE 48 Cb 0.00 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.13 1iyy n PHE 48 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1iyy n ASP 49 N -3.06 4.27 -3.98 4.37 2.03 -1.26 -5.03 116.55 113.89 1iyy n ASP 49 Ca 0.08 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.09 1iyy n ASP 49 Cb 0.29 1.12 0.20 0.00 -0.72 0.00 0.00 41.12 42.01 1iyy n ASP 49 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1iyy s PHE 50 N -2.22 1.26 -0.32 -0.67 -0.12 -1.26 -5.04 117.98 109.61 1iyy s PHE 50 Ca -0.01 0.17 0.03 0.00 -0.05 0.00 0.00 56.93 57.08 1iyy s PHE 50 Cb 0.02 -4.20 0.25 0.00 -0.63 0.00 0.00 43.02 38.46 1iyy s PHE 50 CO 0.13 -2.81 1.31 -1.13 -0.05 0.00 0.00 175.22 172.67 1iyy n SER 51 N -3.82 -1.16 -0.12 1.98 3.41 -1.26 -5.04 113.62 107.60 1iyy n SER 51 Ca 0.17 -1.74 -0.09 0.00 -0.26 0.00 0.00 58.87 56.95 1iyy n SER 51 Cb 0.59 1.09 -0.07 0.00 -0.26 0.00 0.00 64.21 65.56 1iyy n SER 51 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1iyy h VAL 52 N 0.35 0.00 -3.35 -3.33 2.07 -1.88 -3.46 116.25 106.65 1iyy h VAL 52 Ca -0.40 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 1iyy h VAL 52 Cb 1.23 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1iyy h VAL 52 CO -0.07 0.00 0.07 -0.24 0.02 0.00 0.00 177.57 177.35 1iyy n SER 53 N -4.54 -1.71 -0.07 0.57 2.88 -1.26 -5.07 113.62 104.41 1iyy n SER 53 Ca -0.02 -2.59 -0.14 0.00 -1.33 0.00 0.00 58.87 54.79 1iyy n SER 53 Cb 0.23 2.97 -0.13 0.00 -0.75 0.00 0.00 64.21 66.53 1iyy n SER 53 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1iyy h SER 54 N 1.82 -0.00 -0.77 -3.46 0.02 -1.96 -3.40 113.55 105.81 1iyy h SER 54 Ca -0.28 -0.98 -0.50 0.00 -0.84 0.00 0.00 61.79 59.20 1iyy h SER 54 Cb 1.12 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.59 1iyy h SER 54 CO 0.37 0.98 1.49 -2.16 -1.14 0.00 0.00 176.83 176.37 1iyy s PRO 55 N -2.27 3.23 0.96 3.45 0.04 -1.26 -4.70 135.00 134.45 1iyy s PRO 55 Ca -0.19 -1.31 -0.15 0.00 0.04 0.00 0.00 61.00 59.40 1iyy s PRO 55 Cb -0.03 -5.34 0.22 0.00 0.04 0.00 0.00 34.50 29.39 1iyy s PRO 55 CO 0.68 -2.95 1.31 0.71 0.04 0.00 0.00 177.00 176.80 1iyy s TYR 56 N 7.36 1.28 -0.27 0.56 2.02 -1.17 -4.53 117.35 122.61 1iyy s TYR 56 Ca 0.59 0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 57.36 1iyy s TYR 56 Cb 0.00 -4.09 0.13 0.00 -0.40 0.00 0.00 41.96 37.60 1iyy s TYR 56 CO 0.05 -2.72 0.56 0.71 -1.57 0.00 0.00 175.55 172.58 1iyy s TYR 57 N -3.86 -1.22 0.08 2.71 2.02 -0.24 -2.69 117.35 114.16 1iyy s TYR 57 Ca 0.76 1.88 -0.05 0.00 -0.37 0.00 0.00 57.07 59.28 1iyy s TYR 57 Cb -0.02 0.57 -0.05 0.00 -0.40 0.00 0.00 41.96 42.05 1iyy s TYR 57 CO 0.53 -0.67 0.32 -1.21 -1.57 0.00 0.00 175.55 172.95 1iyy s GLU 58 N 2.79 3.60 -0.19 -0.62 8.01 -0.09 -2.04 118.70 130.16 1iyy s GLU 58 Ca 0.02 -0.10 -0.27 0.00 0.01 0.00 0.00 54.97 54.62 1iyy s GLU 58 Cb -0.13 -2.97 0.07 0.00 -4.31 0.00 0.00 34.13 26.80 1iyy s GLU 58 CO -0.18 0.56 0.73 -0.46 0.01 0.00 0.00 175.26 175.93 1iyy s TRP 59 N -1.49 -0.71 0.20 1.61 -0.11 -0.71 -2.85 118.94 114.88 1iyy s TRP 59 Ca 0.35 1.55 -0.31 0.00 1.22 0.00 0.00 56.10 58.92 1iyy s TRP 59 Cb -0.13 0.33 -0.10 0.00 -1.50 0.00 0.00 33.47 32.08 1iyy s TRP 59 CO 0.22 -0.45 1.44 -1.25 -4.62 0.00 0.00 176.95 172.28 1iyy s PRO 60 N -0.24 4.28 -0.23 5.86 0.04 -1.26 -1.44 135.00 142.01 1iyy s PRO 60 Ca -0.04 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1iyy s PRO 60 Cb -0.03 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.39 1iyy s PRO 60 CO 0.04 -0.44 -0.13 -1.50 0.04 0.00 0.00 177.00 175.01 1iyy s ILE 61 N 0.44 2.38 0.33 0.56 1.10 -1.26 -3.97 121.20 120.77 1iyy s ILE 61 Ca 0.62 -1.15 0.10 0.00 -0.51 0.00 0.00 60.65 59.70 1iyy s ILE 61 Cb -0.41 -2.18 -0.06 0.00 0.15 0.00 0.00 42.46 39.96 1iyy s ILE 61 CO 0.38 0.27 -0.08 -0.76 -2.11 0.00 0.00 174.94 172.63 1iyy s LEU 62 N 1.25 2.80 -0.20 8.50 1.43 -1.26 -4.93 118.68 126.26 1iyy s LEU 62 Ca -0.00 -1.08 0.18 0.00 -1.03 0.00 0.00 54.13 52.19 1iyy s LEU 62 Cb -0.16 -1.15 0.46 0.00 0.03 0.00 0.00 46.19 45.37 1iyy s LEU 62 CO -0.08 -0.16 1.16 -0.24 0.23 0.00 0.00 176.35 177.27 1iyy n SER 63 N -0.81 2.35 -0.14 2.29 2.88 -1.26 -4.74 113.62 114.19 1iyy n SER 63 Ca -0.05 -2.77 0.01 0.00 -1.33 0.00 0.00 58.87 54.73 1iyy n SER 63 Cb 0.62 -0.41 0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1iyy n SER 63 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1iyy n SER 64 N -0.47 1.91 0.00 -3.46 2.88 -1.26 -4.97 113.62 108.25 1iyy n SER 64 Ca 0.18 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 1iyy n SER 64 Cb 0.90 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 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 -0.12 2.77 3.34 0.46 0.00 -1.26 -4.98 105.19 105.40 1iyy n GLY 65 Ca 0.02 -0.25 -0.47 0.00 0.00 0.00 0.00 46.02 45.33 1iyy n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyy s ASP 66 N 0.53 6.68 0.76 1.61 1.01 -1.26 -5.05 116.67 120.95 1iyy s ASP 66 Ca 0.00 -2.51 -0.13 0.00 0.71 0.00 0.00 52.55 50.62 1iyy s ASP 66 Cb 0.00 -2.23 0.06 0.00 1.01 0.00 0.00 42.92 41.76 1iyy s ASP 66 CO 0.00 -0.66 1.15 -0.69 0.21 0.00 0.00 175.17 175.18 1iyy s VAL 67 N 0.59 2.65 0.00 -1.27 1.01 -1.26 -4.76 120.40 117.37 1iyy s VAL 67 Ca 0.17 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1iyy s VAL 67 Cb -0.12 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1iyy s VAL 67 CO -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 175.10 174.81 1iyy n TYR 68 N -3.14 -0.26 -1.08 5.22 4.11 -1.25 -4.87 117.16 115.88 1iyy n TYR 68 Ca 0.12 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.14 1iyy n TYR 68 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.81 1iyy n TYR 68 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1iyy n SER 69 N -3.83 -5.80 0.00 9.48 2.88 -1.26 -4.98 113.62 110.11 1iyy n SER 69 Ca 0.00 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1iyy n SER 69 Cb 0.00 -3.47 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 1iyy n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyy n GLY 70 N -3.37 0.57 2.20 0.46 0.00 -1.26 -4.77 105.19 99.02 1iyy n GLY 70 Ca -0.02 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 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 0.00 6.16 3.00 -0.02 0.00 -1.26 -4.81 105.19 108.26 1iyy n GLY 71 Ca 0.00 -2.55 -0.01 0.00 0.00 0.00 0.00 46.02 43.46 1iyy n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iyy s SER 72 N -2.91 -1.41 0.00 1.61 0.15 -1.26 -5.02 113.70 104.86 1iyy s SER 72 Ca 0.55 -1.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.08 1iyy s SER 72 Cb 0.44 1.82 -0.11 0.00 -1.71 0.00 0.00 66.02 66.46 1iyy s SER 72 CO -0.02 -0.11 2.65 -0.81 1.20 0.00 0.00 173.24 176.15 1iyy n PRO 73 N 3.77 1.40 -1.24 5.44 -0.04 -1.26 -4.82 135.00 138.25 1iyy n PRO 73 Ca 0.13 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1iyy n PRO 73 Cb 0.57 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.91 1.09 7.00 0.55 0.00 -1.26 -5.13 105.19 109.35 1iyy n GLY 74 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.00 0.00 -1.06 4.61 0.00 -0.67 -4.74 120.51 115.65 1iyy n ALA 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1iyy n ALA 75 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 2.20 -0.11 -3.15 0.00 9.92 -1.26 -1.42 116.55 122.74 1iyy n ASP 76 Ca 0.00 0.82 0.05 0.00 -0.53 0.00 0.00 54.79 55.13 1iyy n ASP 76 Cb 0.00 -0.66 -0.01 0.00 -0.64 0.00 0.00 41.12 39.81 1iyy n ASP 76 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1iyy s ARG 77 N -0.08 0.36 0.85 -1.24 3.52 0.21 -4.52 118.95 118.05 1iyy s ARG 77 Ca 0.62 0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 56.76 1iyy s ARG 77 Cb -0.87 0.36 0.10 0.00 -1.56 0.00 0.00 34.95 32.97 1iyy s ARG 77 CO 0.40 -0.39 1.09 0.54 -0.81 0.00 0.00 175.30 176.13 1iyy s VAL 78 N 2.91 2.87 0.32 7.11 0.11 -0.52 -1.09 120.40 132.10 1iyy s VAL 78 Ca 0.09 0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 1iyy s VAL 78 Cb -0.12 -2.88 -0.05 0.00 -1.53 0.00 0.00 36.38 31.80 1iyy s VAL 78 CO -0.16 -0.37 0.08 -0.69 -3.33 0.00 0.00 175.10 170.64 1iyy s VAL 79 N -3.02 0.88 0.01 2.04 1.01 -1.00 -1.75 120.40 118.57 1iyy s VAL 79 Ca 0.62 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 1iyy s VAL 79 Cb -0.16 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1iyy s VAL 79 CO 0.56 0.00 0.30 2.22 0.00 0.00 0.00 175.10 178.17 1iyy n PHE 80 N -0.65 -0.40 0.00 5.22 -1.74 -0.86 -1.81 117.46 117.22 1iyy n PHE 80 Ca -0.02 -0.22 0.00 0.00 -0.56 0.00 0.00 57.45 56.65 1iyy n PHE 80 Cb 0.66 0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.77 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 -0.51 0.00 0.00 5.98 5.15 -1.26 -1.08 115.26 123.53 1iyy n ASN 81 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1iyy n ASN 81 Cb 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 -0.51 0.00 0.00 1.20 1.02 -1.26 -4.79 120.64 116.30 1iyy n GLU 82 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1iyy n GLU 82 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1iyy n GLU 82 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1iyy n ASN 83 N 0.00 0.64 -0.75 1.62 3.02 -1.26 -4.99 115.26 113.54 1iyy n ASN 83 Ca 0.00 -1.21 -0.05 0.00 -0.03 0.00 0.00 54.58 53.29 1iyy n ASN 83 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1iyy n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1iyy n ASN 84 N -0.10 -2.43 0.06 6.41 5.15 -1.26 -4.90 115.26 118.19 1iyy n ASN 84 Ca 0.00 -0.04 0.03 0.00 -0.60 0.00 0.00 54.58 53.97 1iyy n ASN 84 Cb 0.26 -1.60 0.41 0.00 -0.53 0.00 0.00 39.78 38.32 1iyy n ASN 84 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1iyy h GLN 85 N -0.16 0.39 -1.95 1.20 4.20 -1.93 -3.48 115.11 113.37 1iyy h GLN 85 Ca -0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1iyy h GLN 85 Cb 1.09 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1iyy h GLN 85 CO 0.14 0.37 0.00 -0.11 -0.67 0.00 0.00 178.83 178.56 1iyy n LEU 86 N -4.38 -1.50 0.14 1.46 -0.00 -1.25 -4.93 117.00 106.54 1iyy n LEU 86 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.03 1iyy n LEU 86 Cb 0.17 -0.75 0.17 0.00 -0.00 0.00 0.00 43.42 43.00 1iyy n LEU 86 CO 0.37 0.00 0.51 0.00 -0.00 0.00 0.00 177.39 178.27 1iyy h ALA 87 N 0.00 0.84 0.00 1.96 0.00 -1.65 -3.46 119.26 116.96 1iyy h ALA 87 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1iyy h ALA 87 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1iyy h ALA 87 CO 0.00 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1iyy n GLY 88 N 0.55 0.22 2.69 0.00 0.00 -1.26 -4.75 105.19 102.64 1iyy n GLY 88 Ca -0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.00 1.44 0.15 1.61 1.01 -1.26 -2.39 120.40 116.96 1iyy s VAL 89 Ca 0.00 -2.75 -0.30 0.00 0.00 0.00 0.00 61.98 58.93 1iyy s VAL 89 Cb 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1iyy s VAL 89 CO 0.00 -0.95 0.97 0.27 0.00 0.00 0.00 175.10 175.40 1iyy s ILE 90 N 0.13 4.30 -0.12 2.22 -4.36 -0.25 -2.33 121.20 120.79 1iyy s ILE 90 Ca 0.20 2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 62.60 1iyy s ILE 90 Cb -0.19 -4.29 0.03 0.00 1.25 0.00 0.00 42.46 39.26 1iyy s ILE 90 CO -0.04 0.36 -0.05 0.28 0.24 0.00 0.00 174.94 175.73 1iyy s THR 91 N -0.35 0.93 -1.31 8.37 -1.32 -1.09 0.66 115.64 121.53 1iyy s THR 91 Ca 0.46 -0.31 -0.15 0.00 -1.21 0.00 0.00 61.69 60.48 1iyy s THR 91 Cb -0.25 -1.02 0.11 0.00 -1.51 0.00 0.00 72.50 69.82 1iyy s THR 91 CO 0.31 0.28 1.78 1.41 -2.21 0.00 0.00 174.62 176.19 1iyy n HIS 92 N 4.96 4.25 0.00 9.09 8.25 -0.50 -3.25 115.22 138.02 1iyy n HIS 92 Ca -0.11 -3.00 0.00 0.00 -0.26 0.00 0.00 57.72 54.35 1iyy n HIS 92 Cb 0.49 -2.40 0.00 0.00 1.12 0.00 0.00 29.99 29.21 1iyy n HIS 92 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1iyy n THR 93 N 5.18 0.00 0.17 1.59 -1.04 -0.53 -1.68 114.28 117.97 1iyy n THR 93 Ca 0.45 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.57 1iyy n THR 93 Cb 0.42 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.52 1iyy n THR 93 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1iyy h GLY 94 N 0.00 0.00 -2.10 3.41 0.00 -1.63 -3.42 103.07 99.32 1iyy h GLY 94 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1iyy h GLY 94 CO 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 176.54 175.87 1iyy s ALA 95 N -3.55 3.03 -0.41 3.60 0.00 -0.88 -5.04 121.76 118.52 1iyy s ALA 95 Ca -0.02 -1.97 -0.44 0.00 0.00 0.00 0.00 51.96 49.52 1iyy s ALA 95 Cb 0.06 -0.26 -0.18 0.00 0.00 0.00 0.00 23.12 22.73 1iyy s ALA 95 CO 0.20 0.12 1.64 0.43 0.00 0.00 0.00 175.76 178.15 1iyy n SER 96 N -0.83 1.61 0.00 0.00 7.64 -1.26 -2.43 113.62 118.35 1iyy n SER 96 Ca -0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1iyy n SER 96 Cb 0.62 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 4.01 2.27 0.00 0.23 0.00 -1.26 -4.52 105.19 105.91 1iyy n GLY 97 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 5.05 0.00 -1.85 1.61 6.94 -1.02 -4.32 115.26 121.67 1iyy n ASN 98 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1iyy n ASN 98 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 -0.32 -9.41 -4.68 0.53 3.02 -1.26 -1.46 115.26 101.68 1iyy n ASN 99 Ca 0.00 1.34 -0.41 0.00 -0.03 0.00 0.00 54.58 55.48 1iyy n ASN 99 Cb 0.00 -5.00 -0.04 0.00 -0.61 0.00 0.00 39.78 34.13 1iyy n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1iyy s PHE 100 N -1.99 3.47 -0.04 3.10 0.08 -1.26 -3.44 117.98 117.90 1iyy s PHE 100 Ca 0.00 1.24 -0.03 0.00 0.12 0.00 0.00 56.93 58.25 1iyy s PHE 100 Cb 0.00 -2.94 0.02 0.00 -0.57 0.00 0.00 43.02 39.53 1iyy s PHE 100 CO 0.00 -0.14 0.10 0.14 -0.10 0.00 0.00 175.22 175.23 1iyy s VAL 101 N 1.71 -0.01 0.08 -0.44 -7.23 -1.20 -4.77 120.40 108.54 1iyy s VAL 101 Ca 0.38 0.05 -0.31 0.00 -1.81 0.00 0.00 61.98 60.29 1iyy s VAL 101 Cb -0.17 -0.16 -0.09 0.00 0.56 0.00 0.00 36.38 36.52 1iyy s VAL 101 CO 0.14 0.02 1.82 -1.83 -0.31 0.00 0.00 175.10 174.95 1iyy s GLU 102 N 0.33 4.15 0.96 4.82 -1.05 -1.25 -2.66 118.70 123.99 1iyy s GLU 102 Ca -0.02 2.53 -0.12 0.00 -0.15 0.00 0.00 54.97 57.21 1iyy s GLU 102 Cb -0.03 -3.76 0.12 0.00 -0.44 0.00 0.00 34.13 30.01 1iyy s GLU 102 CO -0.01 -0.85 0.83 0.00 0.95 0.00 0.00 175.26 176.17