#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyy h ASP 3 N 0.00 0.14 -3.29 0.00 3.58 -1.88 -3.40 116.42 111.58 1iyy h ASP 3 Ca 0.00 -0.14 -0.76 0.00 0.42 0.00 0.00 57.03 56.55 1iyy h ASP 3 Cb 0.00 -0.05 -0.24 0.00 1.72 0.00 0.00 39.33 40.76 1iyy h ASP 3 CO 0.00 1.06 -0.03 -0.31 -2.88 0.00 0.00 179.24 177.07 1iyy s TYR 4 N -2.86 3.39 -0.32 0.28 2.02 -0.32 -4.93 117.35 114.61 1iyy s TYR 4 Ca -0.01 -1.49 0.00 0.00 -0.37 0.00 0.00 57.07 55.20 1iyy s TYR 4 Cb 0.10 -3.85 0.08 0.00 -0.40 0.00 0.00 41.96 37.88 1iyy s TYR 4 CO 0.83 -1.06 0.03 0.95 -1.57 0.00 0.00 175.55 174.73 1iyy s THR 5 N 1.29 2.73 0.37 -0.71 -4.23 -1.26 -1.93 115.64 111.89 1iyy s THR 5 Ca 0.10 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1iyy s THR 5 Cb -0.22 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 70.97 1iyy s THR 5 CO -0.01 -0.32 0.50 0.00 -0.54 0.00 0.00 174.62 174.24 1iyy n GLY 7 N 1.65 0.00 2.71 0.00 0.00 -1.26 -2.27 105.19 106.02 1iyy n GLY 7 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.08 0.00 1.61 3.41 -1.26 -5.13 113.62 110.16 1iyy n SER 8 Ca 0.00 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.57 1iyy n SER 8 Cb 0.00 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 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 -0.08 0.00 -2.72 4.04 4.13 -0.96 -5.11 115.26 114.56 1iyy n ASN 9 Ca 0.01 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.19 1iyy n ASN 9 Cb 0.77 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 39.10 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 0.25 3.07 -0.05 0.00 1.51 -0.81 -4.65 117.35 116.67 1iyy s TYR 11 Ca 0.22 0.51 -0.22 0.00 -1.01 0.00 0.00 57.07 56.57 1iyy s TYR 11 Cb 0.29 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.55 1iyy s TYR 11 CO -0.08 -0.83 0.64 0.45 -1.11 0.00 0.00 175.55 174.62 1iyy s SER 12 N 1.94 6.94 0.40 2.29 0.15 -1.26 -1.17 113.70 122.99 1iyy s SER 12 Ca 0.33 1.13 0.22 0.00 0.70 0.00 0.00 55.95 58.33 1iyy s SER 12 Cb -0.12 -2.38 1.22 0.00 -1.71 0.00 0.00 66.02 63.02 1iyy s SER 12 CO 0.19 -0.04 1.69 0.77 1.20 0.00 0.00 173.24 177.05 1iyy h SER 13 N 6.43 0.39 -0.33 5.45 4.64 -1.91 0.51 113.55 128.72 1iyy h SER 13 Ca -0.42 0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1iyy h SER 13 Cb 1.19 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1iyy h SER 13 CO 0.74 -0.07 0.17 0.28 -0.87 0.00 0.00 176.83 177.07 1iyy h SER 14 N 0.26 0.25 0.98 4.97 0.02 -2.00 -0.36 113.55 117.66 1iyy h SER 14 Ca 0.71 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.63 1iyy h SER 14 Cb 1.95 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.45 1iyy h SER 14 CO -0.42 0.18 -0.24 0.44 -1.14 0.00 0.00 176.83 175.65 1iyy h ASP 15 N 0.35 0.00 0.07 3.07 3.32 -0.48 -2.60 116.42 120.15 1iyy h ASP 15 Ca 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1iyy h ASP 15 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1iyy h ASP 15 CO -0.10 0.24 -0.19 0.58 -1.72 0.00 0.00 179.24 178.06 1iyy h VAL 16 N 0.00 1.20 -0.39 -1.35 2.07 0.78 -2.59 116.25 115.97 1iyy h VAL 16 Ca -0.00 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1iyy h VAL 16 Cb 0.79 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1iyy h VAL 16 CO 0.03 0.28 0.21 -1.28 0.02 0.00 0.00 177.57 176.84 1iyy h SER 17 N 0.21 0.49 -0.09 0.57 0.87 -0.92 0.80 113.55 115.48 1iyy h SER 17 Ca 0.04 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1iyy h SER 17 Cb 0.46 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1iyy h SER 17 CO 0.03 0.44 0.02 0.71 -0.53 0.00 0.00 176.83 177.50 1iyy h THR 18 N 0.51 0.96 0.00 2.23 1.35 -1.56 0.14 112.91 116.55 1iyy h THR 18 Ca 0.14 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1iyy h THR 18 Cb 0.06 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1iyy h THR 18 CO -0.02 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.26 1iyy n ALA 19 N -2.17 1.73 0.09 6.62 0.00 -1.04 -2.21 120.51 123.54 1iyy n ALA 19 Ca -0.05 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1iyy n ALA 19 Cb 0.05 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.02 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 0.22 0.00 0.00 -0.00 0.32 -3.09 115.11 112.56 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 0.36 0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.97 1iyy h GLN 20 CO 0.00 1.16 0.00 0.00 0.00 0.00 0.00 178.83 179.99 1iyy n ALA 21 N -2.51 2.10 -0.04 3.38 0.00 -0.15 -2.03 120.51 121.26 1iyy n ALA 21 Ca -0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1iyy n ALA 21 Cb 1.01 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 2.54 0.32 0.06 0.00 0.00 -1.43 -1.16 119.26 119.60 1iyy h ALA 22 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 54.91 54.11 1iyy h ALA 22 Cb 0.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1iyy h ALA 22 CO 0.00 0.58 -1.24 0.78 0.00 0.00 0.00 179.25 179.37 1iyy h GLY 23 N 0.46 0.16 1.07 0.00 0.00 -1.58 -3.22 103.07 99.95 1iyy h GLY 23 Ca -0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1iyy h GLY 23 CO 0.13 0.35 -0.14 -1.82 0.00 0.00 0.00 176.54 175.06 1iyy h TYR 24 N 0.04 1.07 0.34 5.60 3.20 -1.42 -1.88 116.97 123.92 1iyy h TYR 24 Ca -0.12 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.50 1iyy h TYR 24 Cb 1.90 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.92 1iyy h TYR 24 CO 0.03 1.04 -0.16 0.37 -1.64 0.00 0.00 178.16 177.80 1iyy h GLN 25 N 0.80 -0.44 -0.91 1.82 5.75 -1.29 -2.23 115.11 118.61 1iyy h GLN 25 Ca 0.12 0.03 0.26 0.00 -0.15 0.00 0.00 58.65 58.91 1iyy h GLN 25 Cb 0.70 0.10 -0.15 0.00 1.07 0.00 0.00 27.48 29.20 1iyy h GLN 25 CO 0.05 -0.29 0.22 -0.07 -2.65 0.00 0.00 178.83 176.09 1iyy h LEU 26 N -0.47 -0.08 -0.00 -2.39 -0.00 -1.63 0.46 115.31 111.21 1iyy h LEU 26 Ca -0.05 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1iyy h LEU 26 Cb 0.35 0.32 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 1iyy h LEU 26 CO 0.08 -0.23 -0.11 -0.74 -0.00 0.00 0.00 178.44 177.44 1iyy h HIS 27 N 0.14 -0.31 0.00 1.13 2.76 -1.05 -0.68 115.15 117.14 1iyy h HIS 27 Ca 0.59 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.77 1iyy h HIS 27 Cb 1.24 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.34 1iyy h HIS 27 CO -0.29 -0.11 0.00 0.39 -1.30 0.00 0.00 177.93 176.61 1iyy n GLU 28 N -3.08 0.83 0.05 5.26 -0.58 -0.69 -3.05 120.64 119.38 1iyy n GLU 28 Ca -0.01 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.67 1iyy n GLU 28 Cb 0.08 -1.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 1iyy n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1iyy h ASP 29 N 0.00 0.00 0.00 1.62 5.19 0.14 -3.47 116.42 119.90 1iyy h ASP 29 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iyy h ASP 29 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1iyy h ASP 29 CO 0.00 0.89 0.00 0.61 -3.12 0.00 0.00 179.24 177.62 1iyy n GLY 30 N 1.38 2.11 0.00 2.75 0.00 -0.97 -5.03 105.19 105.43 1iyy n GLY 30 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 3.24 -1.69 1.61 4.07 -1.25 -5.09 120.64 119.53 1iyy n GLU 31 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 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 -4.87 114.28 113.42 1iyy n THR 32 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1iyy n THR 32 Cb 0.00 0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 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 -0.13 0.00 -0.00 12.58 0.24 -1.26 -4.91 118.33 124.85 1iyy n VAL 33 Ca -0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.31 1iyy n VAL 33 Cb 0.14 -0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.43 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 3.51 -0.24 0.00 7.63 0.00 -1.26 -4.81 105.19 110.02 1iyy n GLY 34 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.70 0.00 0.01 1.61 7.64 -1.26 -4.94 113.62 114.98 1iyy n SER 35 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.99 1iyy n SER 35 Cb 0.15 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.05 -1.65 6.43 3.02 -1.26 -5.01 115.26 116.84 1iyy n ASN 36 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1iyy n ASN 36 Cb 0.00 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1iyy n ASN 36 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1iyy n SER 37 N -1.55 -8.73 0.00 6.41 3.41 -1.26 -4.99 113.62 106.91 1iyy n SER 37 Ca 0.06 1.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 1iyy n SER 37 Cb 0.30 -4.70 0.00 0.00 -0.26 0.00 0.00 64.21 59.55 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 -0.30 0.00 -2.57 7.33 4.19 -1.26 -4.90 117.16 119.65 1iyy n TYR 38 Ca 0.00 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.80 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 -1.93 3.27 -0.01 2.98 0.04 -1.24 -4.35 135.00 133.76 1iyy s PRO 39 Ca 0.00 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1iyy s PRO 39 Cb 0.00 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.41 1iyy s PRO 39 CO 0.00 -2.02 -0.00 -1.01 0.04 0.00 0.00 177.00 174.01 1iyy s HIS 40 N 5.49 0.16 0.13 0.56 0.09 -1.19 -4.82 115.29 115.72 1iyy s HIS 40 Ca 0.36 0.02 -0.35 0.00 -0.00 0.00 0.00 55.06 55.09 1iyy s HIS 40 Cb -0.08 -0.21 -0.15 0.00 -0.00 0.00 0.00 32.58 32.13 1iyy s HIS 40 CO 0.17 -0.06 1.40 1.17 -0.00 0.00 0.00 174.74 177.42 1iyy n LYS 41 N 3.60 1.54 -4.79 1.40 0.00 -1.26 -1.10 118.16 117.55 1iyy n LYS 41 Ca -0.20 0.55 -0.33 0.00 0.00 0.00 0.00 58.31 58.34 1iyy n LYS 41 Cb 0.55 -2.22 -0.13 0.00 0.00 0.00 0.00 35.03 33.24 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 0.48 2.74 0.00 5.64 5.04 0.04 -4.79 117.35 126.49 1iyy s TYR 42 Ca 0.80 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1iyy s TYR 42 Cb -0.83 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 39.86 1iyy s TYR 42 CO 0.45 0.23 0.00 0.09 -1.34 0.00 0.00 175.55 174.98 1iyy n ASN 43 N 2.16 0.00 0.00 4.32 3.02 -1.26 -2.94 115.26 120.55 1iyy n ASN 43 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1iyy n ASN 43 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1iyy n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1iyy n ASN 44 N 0.00 0.00 0.00 6.41 4.13 -1.26 -4.79 115.26 119.75 1iyy n ASN 44 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1iyy n ASN 44 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1iyy n ASN 44 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1iyy n TYR 45 N -0.28 0.00 -0.40 3.10 4.01 -1.26 -4.86 117.16 117.47 1iyy n TYR 45 Ca 0.00 0.00 0.36 0.00 -0.16 0.00 0.00 57.90 58.10 1iyy n TYR 45 Cb 0.00 0.36 0.64 0.00 -0.31 0.00 0.00 39.34 40.03 1iyy n TYR 45 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1iyy h GLU 46 N 0.00 0.02 0.00 -0.72 4.22 -2.00 -3.44 114.58 112.66 1iyy h GLU 46 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1iyy h GLU 46 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iyy h GLU 46 CO 0.00 0.01 0.00 0.41 -2.18 0.00 0.00 179.01 177.25 1iyy n GLY 47 N -1.41 0.85 0.00 1.92 0.00 -1.26 -5.13 105.19 100.16 1iyy n GLY 47 Ca 0.39 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 1.61 3.72 -1.26 -5.06 117.46 113.70 1iyy n PHE 48 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1iyy n PHE 48 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.40 2.98 -0.31 4.37 2.03 -1.26 -5.11 116.55 116.85 1iyy n ASP 49 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1iyy n ASP 49 Cb 0.00 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1iyy n ASP 49 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1iyy n PHE 50 N -2.19 -1.22 -1.92 -0.67 3.72 -1.26 -4.81 117.46 109.10 1iyy n PHE 50 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1iyy n PHE 50 Cb 0.37 0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 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 -3.64 -0.60 -0.01 4.37 7.64 -1.26 -5.03 113.62 115.09 1iyy n SER 51 Ca 0.00 -1.22 -0.02 0.00 1.01 0.00 0.00 58.87 58.65 1iyy n SER 51 Cb 0.00 0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.15 0.47 -3.86 0.44 0.31 -1.26 -5.08 118.33 109.20 1iyy n VAL 52 Ca -0.15 0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 64.41 1iyy n VAL 52 Cb 0.54 -1.54 0.02 0.00 -0.91 0.00 0.00 33.84 31.95 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 -3.03 -1.96 -0.07 4.52 7.64 -1.26 -5.06 113.62 114.41 1iyy n SER 53 Ca -0.03 -2.17 -0.14 0.00 1.01 0.00 0.00 58.87 57.55 1iyy n SER 53 Cb 0.10 3.22 -0.12 0.00 -1.01 0.00 0.00 64.21 66.39 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 1.98 -0.00 -0.73 6.43 0.02 -1.98 -3.40 113.55 115.87 1iyy h SER 54 Ca -0.30 -0.94 -0.53 0.00 -0.84 0.00 0.00 61.79 59.18 1iyy h SER 54 Cb 1.22 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.69 1iyy h SER 54 CO 0.39 0.96 1.67 -2.16 -1.14 0.00 0.00 176.83 176.55 1iyy s PRO 55 N -2.30 3.35 0.17 3.45 0.04 -1.26 -4.84 135.00 133.60 1iyy s PRO 55 Ca -0.18 -1.55 -0.03 0.00 0.04 0.00 0.00 61.00 59.28 1iyy s PRO 55 Cb -0.03 -5.40 0.04 0.00 0.04 0.00 0.00 34.50 29.16 1iyy s PRO 55 CO 0.67 -2.94 0.22 0.66 0.04 0.00 0.00 177.00 175.65 1iyy n TYR 56 N 10.88 -3.94 -3.58 0.56 4.01 -1.15 -4.64 117.16 119.30 1iyy n TYR 56 Ca 0.46 -0.19 -0.12 0.00 -0.16 0.00 0.00 57.90 57.89 1iyy n TYR 56 Cb 0.47 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.47 -0.32 -0.04 -0.72 1.51 0.00 -0.78 117.35 115.53 1iyy s TYR 57 Ca 0.12 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.37 1iyy s TYR 57 Cb -0.00 0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 42.16 1iyy s TYR 57 CO 0.09 -0.71 -0.22 -1.83 -1.11 0.00 0.00 175.55 171.78 1iyy s GLU 58 N -3.39 2.33 -0.27 -0.62 -1.05 -0.26 -2.74 118.70 112.70 1iyy s GLU 58 Ca 0.00 -0.84 -0.24 0.00 -0.15 0.00 0.00 54.97 53.74 1iyy s GLU 58 Cb 0.01 -2.18 0.07 0.00 -0.44 0.00 0.00 34.13 31.58 1iyy s GLU 58 CO -0.09 0.55 0.71 -0.46 0.95 0.00 0.00 175.26 176.92 1iyy s TRP 59 N -0.57 -0.82 0.34 4.83 -0.11 -1.23 -3.14 118.94 118.23 1iyy s TRP 59 Ca 0.08 1.95 -0.28 0.00 1.22 0.00 0.00 56.10 59.08 1iyy s TRP 59 Cb -0.11 0.32 -0.09 0.00 -1.50 0.00 0.00 33.47 32.09 1iyy s TRP 59 CO 0.00 -0.40 1.21 -1.25 -4.62 0.00 0.00 176.95 171.90 1iyy s PRO 60 N 0.55 4.31 -0.07 5.86 0.04 -1.26 -2.46 135.00 141.98 1iyy s PRO 60 Ca -0.01 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1iyy s PRO 60 Cb -0.05 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 1iyy s PRO 60 CO -0.02 -0.15 -0.05 -1.50 0.04 0.00 0.00 177.00 175.33 1iyy s ILE 61 N -1.23 3.90 0.25 0.56 1.10 -1.25 -4.73 121.20 119.79 1iyy s ILE 61 Ca 0.51 -0.42 0.07 0.00 -0.51 0.00 0.00 60.65 60.29 1iyy s ILE 61 Cb -0.35 -2.62 -0.05 0.00 0.15 0.00 0.00 42.46 39.59 1iyy s ILE 61 CO 0.45 0.59 -0.08 -0.76 -2.11 0.00 0.00 174.94 173.03 1iyy s LEU 62 N -0.88 2.49 -0.06 8.50 1.43 -1.26 -4.78 118.68 124.12 1iyy s LEU 62 Ca 0.13 -1.14 0.15 0.00 -1.03 0.00 0.00 54.13 52.24 1iyy s LEU 62 Cb -0.11 -0.63 0.29 0.00 0.03 0.00 0.00 46.19 45.77 1iyy s LEU 62 CO 0.02 -0.29 1.13 -0.24 0.23 0.00 0.00 176.35 177.20 1iyy n SER 63 N -0.51 1.08 0.00 2.29 2.88 -1.26 -4.86 113.62 113.24 1iyy n SER 63 Ca -0.06 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.93 1iyy n SER 63 Cb 0.62 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.25 0.00 0.00 -3.46 7.64 -1.26 -5.06 113.62 111.23 1iyy n SER 64 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1iyy n SER 64 Cb 0.86 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 -0.10 1.66 0.00 0.23 0.00 -1.26 -5.07 105.19 100.64 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 -4.01 1.61 -0.08 -1.26 -5.12 116.55 107.70 1iyy n ASP 66 Ca 0.00 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.02 1iyy n ASP 66 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 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 1.22 0.29 5.18 1.01 -1.26 -4.71 120.40 122.13 1iyy s VAL 67 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1iyy s VAL 67 Cb 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 36.38 35.13 1iyy s VAL 67 CO 0.00 0.38 1.48 -0.47 0.00 0.00 0.00 175.10 176.49 1iyy s TYR 68 N 1.01 2.88 -0.41 5.22 6.14 -1.26 -4.91 117.35 126.02 1iyy s TYR 68 Ca -0.07 1.02 0.08 0.00 0.64 0.00 0.00 57.07 58.73 1iyy s TYR 68 Cb -0.15 -3.91 0.35 0.00 0.42 0.00 0.00 41.96 38.68 1iyy s TYR 68 CO -0.01 -2.89 1.27 -1.13 0.64 0.00 0.00 175.55 173.43 1iyy n SER 69 N 1.85 -1.98 0.00 4.32 3.41 -1.26 -4.87 113.62 115.09 1iyy n SER 69 Ca 0.06 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 1iyy n SER 69 Cb 0.39 1.30 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 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 -0.27 0.55 7.00 5.00 0.00 -1.26 -4.50 105.19 111.70 1iyy n GLY 70 Ca -0.02 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.20 3.12 -0.02 0.00 -1.26 -4.77 105.19 101.06 1iyy n GLY 71 Ca 0.00 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 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 -4.00 3.13 0.91 1.61 0.15 -1.26 -5.12 113.70 109.12 1iyy s SER 72 Ca 0.00 -0.65 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 1iyy s SER 72 Cb 0.00 -1.48 0.15 0.00 -1.71 0.00 0.00 66.02 62.98 1iyy s SER 72 CO 0.00 0.00 1.20 -2.16 1.20 0.00 0.00 173.24 173.49 1iyy s PRO 73 N 1.28 1.09 0.00 5.44 0.04 -1.26 -5.07 135.00 136.51 1iyy s PRO 73 Ca 0.05 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1iyy s PRO 73 Cb -0.13 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1iyy s PRO 73 CO -0.13 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1iyy n GLY 74 N -2.94 3.98 7.00 0.56 0.00 -1.26 -5.13 105.19 107.41 1iyy n GLY 74 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.64 0.00 -0.09 4.61 0.00 -0.77 -4.76 120.51 118.86 1iyy n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iyy n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.21 -0.09 -3.63 0.00 8.00 -1.26 -3.17 116.55 113.18 1iyy n ASP 76 Ca 0.00 0.04 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 1iyy n ASP 76 Cb 0.00 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1iyy n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1iyy s ARG 77 N 0.00 0.78 -0.05 -1.24 0.52 0.18 -3.93 118.95 115.20 1iyy s ARG 77 Ca 0.00 1.10 0.05 0.00 -0.52 0.00 0.00 55.73 56.36 1iyy s ARG 77 Cb 0.00 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.75 1iyy s ARG 77 CO 0.00 -0.12 -0.20 0.54 0.02 0.00 0.00 175.30 175.54 1iyy s VAL 78 N 0.96 1.64 0.50 3.52 0.11 -1.03 0.11 120.40 126.21 1iyy s VAL 78 Ca -0.05 -0.83 -0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1iyy s VAL 78 Cb -0.05 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.41 1iyy s VAL 78 CO -0.09 0.47 0.73 -0.69 -3.33 0.00 0.00 175.10 172.19 1iyy s VAL 79 N -0.01 3.56 0.32 2.04 1.01 -0.72 -3.55 120.40 123.06 1iyy s VAL 79 Ca -0.04 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 1iyy s VAL 79 Cb -0.12 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 32.98 1iyy s VAL 79 CO 0.03 -0.25 0.75 2.22 0.00 0.00 0.00 175.10 177.85 1iyy n PHE 80 N -2.22 -2.07 0.00 5.22 -1.74 -1.11 -1.40 117.46 114.14 1iyy n PHE 80 Ca 0.04 -1.58 0.00 0.00 -0.56 0.00 0.00 57.45 55.34 1iyy n PHE 80 Cb 0.58 0.79 0.00 0.00 1.52 0.00 0.00 39.48 42.37 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 -1.44 0.00 -0.52 5.98 5.15 -1.26 -0.82 115.26 122.35 1iyy n ASN 81 Ca -0.07 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.90 1iyy n ASN 81 Cb 0.53 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.77 1iyy n ASN 81 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1iyy n GLU 82 N -0.98 0.00 -1.44 1.20 0.28 -1.26 -4.67 120.64 113.78 1iyy n GLU 82 Ca 0.00 -0.15 0.03 0.00 -0.16 0.00 0.00 57.16 56.88 1iyy n GLU 82 Cb 0.00 0.09 0.02 0.00 1.43 0.00 0.00 31.44 32.98 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 0.89 -1.78 -1.84 3.02 -1.26 -4.95 115.26 109.35 1iyy n ASN 83 Ca -0.04 -2.00 -0.07 0.00 -0.03 0.00 0.00 54.58 52.44 1iyy n ASN 83 Cb 0.47 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.46 -2.28 0.00 6.41 0.23 -1.26 -4.86 115.26 113.95 1iyy n ASN 84 Ca 0.05 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 1iyy n ASN 84 Cb 1.11 -2.18 0.00 0.00 -2.08 0.00 0.00 39.78 36.63 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 -2.02 0.00 0.00 -3.83 1.13 -1.26 -4.79 117.38 106.61 1iyy n GLN 85 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1iyy n GLN 85 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 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 -0.01 1.08 -0.00 -1.26 -4.79 117.00 112.02 1iyy n LEU 86 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 1iyy n LEU 86 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1iyy n LEU 86 CO 0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 177.39 176.67 1iyy h ALA 87 N 0.00 0.38 0.00 1.96 0.00 -1.56 -3.43 119.26 116.60 1iyy h ALA 87 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1iyy h ALA 87 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1iyy h ALA 87 CO 0.00 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1iyy n GLY 88 N 1.86 3.20 3.42 0.00 0.00 -1.25 -4.58 105.19 107.84 1iyy n GLY 88 Ca -0.31 -0.70 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 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 4.99 0.34 1.61 1.01 -1.26 -1.75 120.40 123.33 1iyy s VAL 89 Ca 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.00 1iyy s VAL 89 Cb 0.00 -4.72 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 1iyy s VAL 89 CO 0.00 -1.41 0.62 0.27 0.00 0.00 0.00 175.10 174.58 1iyy s ILE 90 N 1.92 4.98 -0.04 2.22 -4.36 0.31 -1.50 121.20 124.73 1iyy s ILE 90 Ca 0.31 0.09 0.06 0.00 -0.26 0.00 0.00 60.65 60.85 1iyy s ILE 90 Cb -0.06 -3.77 -0.01 0.00 1.25 0.00 0.00 42.46 39.87 1iyy s ILE 90 CO -0.08 -0.46 -0.23 0.28 0.24 0.00 0.00 174.94 174.69 1iyy s THR 91 N -2.26 1.83 -1.47 8.37 -1.32 -1.06 0.48 115.64 120.20 1iyy s THR 91 Ca 0.45 -0.96 -0.12 0.00 -1.21 0.00 0.00 61.69 59.85 1iyy s THR 91 Cb -0.10 -1.54 0.03 0.00 -1.51 0.00 0.00 72.50 69.38 1iyy s THR 91 CO 0.33 0.51 2.34 1.57 -2.21 0.00 0.00 174.62 177.17 1iyy n HIS 92 N 2.83 3.20 0.00 9.09 -0.00 -1.19 -3.55 115.22 125.60 1iyy n HIS 92 Ca -0.17 -2.97 0.00 0.00 0.46 0.00 0.00 57.72 55.04 1iyy n HIS 92 Cb 0.52 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1iyy n HIS 92 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1iyy n THR 93 N 4.44 0.00 -1.33 3.57 -2.24 0.19 -1.85 114.28 117.06 1iyy n THR 93 Ca 0.56 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.30 1iyy n THR 93 Cb 0.35 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 1iyy n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iyy n GLY 94 N -0.12 0.61 2.68 3.38 0.00 -1.26 -4.81 105.19 105.66 1iyy n GLY 94 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 0.60 1.34 -2.20 4.61 0.00 -1.22 -5.05 120.51 118.59 1iyy n ALA 95 Ca -0.05 -1.71 -0.01 0.00 0.00 0.00 0.00 53.44 51.67 1iyy n ALA 95 Cb 0.23 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.33 -3.90 0.00 0.00 7.64 -1.26 -4.29 113.62 111.48 1iyy n SER 96 Ca 0.01 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1iyy n SER 96 Cb 0.82 -3.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 0.65 2.11 0.00 0.23 0.00 -1.26 -4.32 105.19 102.60 1iyy n GLY 97 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.94 0.00 -1.68 1.61 6.94 -1.26 -4.39 115.26 121.42 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 -0.68 -8.97 -4.86 0.53 4.13 -1.26 -0.64 115.26 103.52 1iyy n ASN 99 Ca 0.00 1.29 -0.32 0.00 1.68 0.00 0.00 54.58 57.24 1iyy n ASN 99 Cb 0.00 -4.99 -0.05 0.00 -1.54 0.00 0.00 39.78 33.20 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 -3.16 3.40 -0.27 3.10 0.08 -1.25 -2.76 117.98 117.12 1iyy s PHE 100 Ca 0.00 1.16 -0.22 0.00 0.12 0.00 0.00 56.93 57.99 1iyy s PHE 100 Cb 0.00 -2.51 0.08 0.00 -0.57 0.00 0.00 43.02 40.02 1iyy s PHE 100 CO 0.00 0.02 0.73 0.14 -0.10 0.00 0.00 175.22 176.01 1iyy s VAL 101 N -2.12 0.00 -0.04 -0.44 -7.23 -1.23 -4.80 120.40 104.54 1iyy s VAL 101 Ca 0.53 0.00 -0.35 0.00 -1.81 0.00 0.00 61.98 60.35 1iyy s VAL 101 Cb -0.10 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.70 1iyy s VAL 101 CO 0.22 0.00 1.72 -0.62 -0.31 0.00 0.00 175.10 176.11 1iyy n GLU 102 N 3.15 1.89 -2.38 4.82 1.02 -1.26 -2.58 120.64 125.30 1iyy n GLU 102 Ca -0.16 0.69 -0.37 0.00 -0.02 0.00 0.00 57.16 57.30 1iyy n GLU 102 Cb 0.56 -2.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.49 1iyy n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31