#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 1.04 -4.21 0.00 2.03 -1.17 -4.67 116.55 109.57 1iyy n ASP 3 Ca 0.00 -1.02 -0.40 0.00 0.52 0.00 0.00 54.79 53.89 1iyy n ASP 3 Cb 0.00 0.94 -0.04 0.00 -0.72 0.00 0.00 41.12 41.30 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 -2.79 3.97 -0.07 -0.67 2.02 -1.18 -5.01 117.35 113.62 1iyy s TYR 4 Ca 0.08 -2.79 -0.20 0.00 -0.37 0.00 0.00 57.07 53.80 1iyy s TYR 4 Cb 0.15 -3.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1iyy s TYR 4 CO 0.77 -0.84 0.56 0.95 -1.57 0.00 0.00 175.55 175.42 1iyy s THR 5 N -1.06 5.08 0.06 -0.71 -4.23 -1.26 -2.40 115.64 111.11 1iyy s THR 5 Ca 0.27 1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 61.87 1iyy s THR 5 Cb -0.10 -3.90 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 1iyy s THR 5 CO -0.10 0.34 0.09 0.00 -0.54 0.00 0.00 174.62 174.40 1iyy n GLY 7 N 0.35 -0.48 2.42 0.00 0.00 -1.26 0.28 105.19 106.50 1iyy n GLY 7 Ca -0.16 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.91 -2.23 -4.07 1.61 7.64 -1.26 -5.04 113.62 108.36 1iyy n SER 8 Ca -0.02 -0.35 -0.17 0.00 1.01 0.00 0.00 58.87 59.34 1iyy n SER 8 Cb 0.53 -3.15 -0.09 0.00 -1.01 0.00 0.00 64.21 60.48 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 -3.73 1.25 -0.57 6.43 0.02 0.14 -5.11 114.94 113.37 1iyy s ASN 9 Ca 0.03 -1.50 0.04 0.00 -1.02 0.00 0.00 52.86 50.41 1iyy s ASN 9 Cb -0.01 0.34 0.16 0.00 0.02 0.00 0.00 41.25 41.76 1iyy s ASN 9 CO 0.42 -0.85 0.40 0.00 0.02 0.00 0.00 177.10 177.09 1iyy s TYR 11 N -0.70 3.87 -0.12 0.00 1.51 -1.01 -4.72 117.35 116.18 1iyy s TYR 11 Ca 0.26 1.84 -0.30 0.00 -1.01 0.00 0.00 57.07 57.86 1iyy s TYR 11 Cb -0.05 -3.06 -0.01 0.00 -0.11 0.00 0.00 41.96 38.73 1iyy s TYR 11 CO -0.15 0.20 1.03 0.45 -1.11 0.00 0.00 175.55 175.97 1iyy s SER 12 N -0.76 7.21 0.64 2.29 0.15 -1.25 -3.04 113.70 118.94 1iyy s SER 12 Ca 0.44 1.54 0.27 0.00 0.70 0.00 0.00 55.95 58.89 1iyy s SER 12 Cb -0.26 -2.55 1.44 0.00 -1.71 0.00 0.00 66.02 62.93 1iyy s SER 12 CO 0.33 -0.49 1.82 -1.28 1.20 0.00 0.00 173.24 174.82 1iyy h SER 13 N 7.17 0.00 0.45 5.45 0.87 -1.92 0.45 113.55 126.03 1iyy h SER 13 Ca -0.30 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.96 1iyy h SER 13 Cb 1.14 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1iyy h SER 13 CO 0.87 0.00 -1.45 -1.28 -0.53 0.00 0.00 176.83 174.44 1iyy h SER 14 N 0.00 0.51 0.14 6.23 0.87 -1.94 -3.21 113.55 116.15 1iyy h SER 14 Ca 0.08 -0.62 -0.12 0.00 -1.23 0.00 0.00 61.79 59.90 1iyy h SER 14 Cb 0.98 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1iyy h SER 14 CO -0.00 1.50 -0.43 -0.78 -0.53 0.00 0.00 176.83 176.59 1iyy h ASP 15 N 0.09 0.39 -0.87 6.23 3.58 -0.54 -2.45 116.42 122.84 1iyy h ASP 15 Ca -0.22 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.10 1iyy h ASP 15 Cb 2.04 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.93 1iyy h ASP 15 CO 0.20 0.77 0.57 0.58 -2.88 0.00 0.00 179.24 178.48 1iyy h VAL 16 N 0.30 1.14 -0.13 2.25 2.07 -1.18 0.26 116.25 120.95 1iyy h VAL 16 Ca 0.02 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1iyy h VAL 16 Cb 0.88 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1iyy h VAL 16 CO 0.07 0.20 -0.11 -1.28 0.02 0.00 0.00 177.57 176.47 1iyy h SER 17 N 1.07 0.18 0.46 0.57 0.87 -1.44 0.28 113.55 115.55 1iyy h SER 17 Ca 0.35 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1iyy h SER 17 Cb 0.04 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1iyy h SER 17 CO -0.11 0.32 -0.22 0.74 -0.53 0.00 0.00 176.83 177.03 1iyy h THR 18 N 0.19 0.41 0.00 2.23 2.02 -0.86 0.24 112.91 117.14 1iyy h THR 18 Ca 0.04 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1iyy h THR 18 Cb 0.32 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1iyy h THR 18 CO 0.02 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.97 1iyy h ALA 19 N -0.63 1.00 0.06 6.16 0.00 -1.23 -0.90 119.26 123.71 1iyy h ALA 19 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1iyy h ALA 19 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1iyy h ALA 19 CO 0.10 0.00 -1.08 0.37 0.00 0.00 0.00 179.25 178.65 1iyy h GLN 20 N 0.00 0.39 0.00 0.00 -0.00 0.25 -2.86 115.11 112.88 1iyy h GLN 20 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 1iyy h GLN 20 Cb 0.16 0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.80 1iyy h GLN 20 CO 0.00 1.17 0.00 0.00 0.00 0.00 0.00 178.83 180.00 1iyy n ALA 21 N -2.56 2.09 -0.08 3.38 0.00 0.01 -2.01 120.51 121.35 1iyy n ALA 21 Ca -0.08 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1iyy n ALA 21 Cb 0.91 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 2.97 0.07 0.00 0.00 0.00 -1.31 -2.00 119.26 118.99 1iyy h ALA 22 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1iyy h ALA 22 Cb 0.22 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1iyy h ALA 22 CO 0.00 0.27 -0.32 0.78 0.00 0.00 0.00 179.25 179.97 1iyy h GLY 23 N -1.00 0.00 0.19 0.00 0.00 -1.52 -0.86 103.07 99.88 1iyy h GLY 23 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1iyy h GLY 23 CO -0.06 0.00 -0.09 -1.82 0.00 0.00 0.00 176.54 174.57 1iyy h TYR 24 N 0.00 -0.23 -0.37 5.60 3.20 -1.53 -1.34 116.97 122.30 1iyy h TYR 24 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1iyy h TYR 24 Cb 0.67 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1iyy h TYR 24 CO 0.00 -0.15 0.25 1.96 -1.64 0.00 0.00 178.16 178.59 1iyy h GLN 25 N -1.07 0.20 0.00 1.82 4.20 -1.39 0.26 115.11 119.12 1iyy h GLN 25 Ca -0.03 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1iyy h GLN 25 Cb 0.19 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1iyy h GLN 25 CO 0.04 0.13 -0.62 1.25 -0.67 0.00 0.00 178.83 178.96 1iyy h LEU 26 N 0.20 0.00 -0.07 1.46 5.85 -1.21 -1.18 115.31 120.36 1iyy h LEU 26 Ca 0.17 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1iyy h LEU 26 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1iyy h LEU 26 CO -0.03 0.62 -0.19 -0.74 -0.34 0.00 0.00 178.44 177.77 1iyy h HIS 27 N 0.00 0.00 0.03 1.25 2.76 0.62 -1.57 115.15 118.24 1iyy h HIS 27 Ca -0.01 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.86 1iyy h HIS 27 Cb 1.18 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.10 1iyy h HIS 27 CO 0.00 0.19 -1.71 1.49 -1.30 0.00 0.00 177.93 176.60 1iyy h GLU 28 N 0.00 0.06 0.00 5.26 4.22 -0.76 -3.32 114.58 120.04 1iyy h GLU 28 Ca -0.00 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1iyy h GLU 28 Cb 1.12 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1iyy h GLU 28 CO 0.02 0.67 -0.06 -3.47 -2.18 0.00 0.00 179.01 173.99 1iyy n ASP 29 N -3.15 0.64 -0.43 1.04 2.03 -0.47 -4.92 116.55 111.30 1iyy n ASP 29 Ca -0.18 0.51 -0.01 0.00 0.52 0.00 0.00 54.79 55.62 1iyy n ASP 29 Cb 1.04 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 1.35 0.70 0.00 0.27 0.00 -1.05 -5.06 105.19 101.40 1iyy n GLY 30 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.82 3.36 -1.95 1.61 0.00 -0.62 -5.06 120.64 117.17 1iyy n GLU 31 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1iyy n GLU 31 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.95 1iyy n GLU 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1iyy n THR 32 N 0.00 0.00 -4.30 6.31 -2.24 -1.26 -4.82 114.28 107.97 1iyy n THR 32 Ca 0.00 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 1iyy n THR 32 Cb 0.00 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.28 1iyy n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1iyy s VAL 33 N -2.47 1.73 0.00 2.28 -7.23 -1.26 -4.95 120.40 108.49 1iyy s VAL 33 Ca 0.05 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1iyy s VAL 33 Cb -0.01 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1iyy s VAL 33 CO 0.01 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1iyy n GLY 34 N 0.74 0.32 0.53 2.32 0.00 -1.26 -2.41 105.19 105.42 1iyy n GLY 34 Ca -0.17 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1iyy n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyy n SER 35 N 1.67 -0.20 -0.80 1.61 2.88 -1.26 -4.97 113.62 112.54 1iyy n SER 35 Ca 0.00 -0.44 0.02 0.00 -1.33 0.00 0.00 58.87 57.12 1iyy n SER 35 Cb 0.00 0.06 0.02 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.00 0.54 -0.27 -3.46 3.02 -1.01 -5.13 115.26 108.95 1iyy n ASN 36 Ca -0.06 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 1iyy n ASN 36 Cb 0.31 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.03 -2.15 0.00 6.41 3.41 -1.25 -4.93 113.62 115.14 1iyy n SER 37 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1iyy n SER 37 Cb 0.84 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.54 0.00 -2.39 7.33 9.36 -1.26 -4.45 117.16 125.21 1iyy n TYR 38 Ca 0.00 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.82 1iyy n TYR 38 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 1iyy n TYR 38 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1iyy s PRO 39 N 0.00 3.06 0.01 2.98 0.04 -1.26 -4.58 135.00 135.24 1iyy s PRO 39 Ca 0.00 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1iyy s PRO 39 Cb 0.00 -4.23 -0.00 0.00 0.04 0.00 0.00 34.50 30.31 1iyy s PRO 39 CO 0.00 -2.27 0.00 0.72 0.04 0.00 0.00 177.00 175.49 1iyy n HIS 40 N 10.30 -0.03 -1.59 0.56 -0.00 -1.18 -4.81 115.22 118.47 1iyy n HIS 40 Ca 0.09 -0.04 -0.30 0.00 -0.00 0.00 0.00 57.72 57.46 1iyy n HIS 40 Cb 0.50 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.57 1iyy n HIS 40 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1iyy s LYS 41 N -2.02 2.33 -0.33 -0.41 -2.85 -1.26 -0.16 119.74 115.04 1iyy s LYS 41 Ca 0.01 0.68 -0.00 0.00 -1.00 0.00 0.00 55.97 55.65 1iyy s LYS 41 Cb 0.00 -1.94 0.13 0.00 -2.06 0.00 0.00 37.83 33.96 1iyy s LYS 41 CO 0.00 -1.46 0.24 -0.47 0.10 0.00 0.00 175.35 173.76 1iyy s TYR 42 N -3.16 0.22 -0.06 1.78 5.04 -0.29 -3.78 117.35 117.11 1iyy s TYR 42 Ca 0.60 -1.06 -0.00 0.00 -2.44 0.00 0.00 57.07 54.17 1iyy s TYR 42 Cb -0.14 -0.73 0.04 0.00 0.35 0.00 0.00 41.96 41.49 1iyy s TYR 42 CO 0.54 -0.87 1.81 -1.71 -1.34 0.00 0.00 175.55 173.98 1iyy n ASN 43 N 4.56 5.04 0.00 4.32 4.05 -1.26 -4.08 115.26 127.88 1iyy n ASN 43 Ca 0.06 -2.45 0.00 0.00 0.45 0.00 0.00 54.58 52.63 1iyy n ASN 43 Cb 0.41 -0.99 0.00 0.00 1.23 0.00 0.00 39.78 40.43 1iyy n ASN 43 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1iyy n ASN 44 N 1.09 0.00 0.00 1.20 6.94 -1.26 -4.96 115.26 118.26 1iyy n ASN 44 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1iyy n ASN 44 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1iyy n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iyy n TYR 45 N 0.00 0.00 -0.36 -2.53 4.19 -1.26 -4.98 117.16 112.22 1iyy n TYR 45 Ca 0.00 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.22 1iyy n TYR 45 Cb 0.00 0.00 0.07 0.00 0.49 0.00 0.00 39.34 39.90 1iyy n TYR 45 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1iyy n GLU 46 N 0.00 -0.17 0.00 2.98 0.00 -1.26 -4.73 120.64 117.46 1iyy n GLU 46 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 57.16 58.63 1iyy n GLU 46 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 31.44 29.26 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 -1.50 -0.05 3.50 8.31 0.00 -1.26 -5.13 105.19 109.07 1iyy n GLY 47 Ca 0.12 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 3.22 -1.00 1.61 0.08 -1.26 -5.01 117.98 115.61 1iyy s PHE 48 Ca 0.00 -0.32 -0.20 0.00 0.12 0.00 0.00 56.93 56.52 1iyy s PHE 48 Cb 0.00 -2.45 0.10 0.00 -0.57 0.00 0.00 43.02 40.09 1iyy s PHE 48 CO 0.00 -0.40 1.31 -0.51 -0.10 0.00 0.00 175.22 175.52 1iyy s ASP 49 N 1.69 6.61 1.01 1.36 1.11 -1.26 -4.96 116.67 122.23 1iyy s ASP 49 Ca 0.06 -1.87 -0.04 0.00 0.18 0.00 0.00 52.55 50.87 1iyy s ASP 49 Cb -0.17 -2.48 0.06 0.00 1.07 0.00 0.00 42.92 41.39 1iyy s ASP 49 CO 0.09 -1.24 0.33 0.49 1.18 0.00 0.00 175.17 176.02 1iyy n PHE 50 N 7.57 -3.91 -2.72 4.23 3.72 -1.26 -5.04 117.46 120.05 1iyy n PHE 50 Ca 0.30 -0.29 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 1iyy n PHE 50 Cb 0.49 -0.26 0.10 0.00 -0.94 0.00 0.00 39.48 38.87 1iyy n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1iyy n SER 51 N -3.24 -0.56 -0.04 4.37 3.41 -1.26 -4.94 113.62 111.37 1iyy n SER 51 Ca 0.04 -2.24 -0.05 0.00 -0.26 0.00 0.00 58.87 56.36 1iyy n SER 51 Cb 0.15 0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 1iyy n SER 51 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1iyy n VAL 52 N -1.06 0.40 -1.75 -3.33 0.31 -1.26 -5.09 118.33 106.55 1iyy n VAL 52 Ca -0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1iyy n VAL 52 Cb 0.85 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 -2.81 0.00 -0.09 4.52 7.64 -1.26 -5.03 113.62 116.60 1iyy n SER 53 Ca -0.13 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.63 1iyy n SER 53 Cb 0.63 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.77 1iyy n SER 53 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iyy n SER 54 N 0.50 1.85 -4.56 6.43 7.64 -1.26 -4.72 113.62 119.49 1iyy n SER 54 Ca 0.00 0.52 -0.34 0.00 1.01 0.00 0.00 58.87 60.05 1iyy n SER 54 Cb 0.00 -0.88 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 1iyy n SER 54 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1iyy s PRO 55 N -2.38 3.12 0.86 1.43 0.04 -1.26 -4.90 135.00 131.91 1iyy s PRO 55 Ca -0.22 -0.79 -0.10 0.00 0.04 0.00 0.00 61.00 59.92 1iyy s PRO 55 Cb 0.04 -5.23 0.19 0.00 0.04 0.00 0.00 34.50 29.54 1iyy s PRO 55 CO 0.37 -2.78 1.17 0.66 0.04 0.00 0.00 177.00 176.47 1iyy n TYR 56 N 11.28 -3.59 -3.69 0.56 4.02 -1.26 -4.58 117.16 119.89 1iyy n TYR 56 Ca 0.37 -1.37 -0.10 0.00 -0.01 0.00 0.00 57.90 56.79 1iyy n TYR 56 Cb 0.49 -0.89 -0.11 0.00 -0.02 0.00 0.00 39.34 38.81 1iyy n TYR 56 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1iyy s TYR 57 N -3.52 -0.62 -0.03 -0.72 1.51 -0.08 -1.14 117.35 112.76 1iyy s TYR 57 Ca 0.70 1.32 -0.20 0.00 -1.01 0.00 0.00 57.07 57.87 1iyy s TYR 57 Cb -0.03 0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 42.05 1iyy s TYR 57 CO 0.48 -0.35 0.59 -1.83 -1.11 0.00 0.00 175.55 173.33 1iyy s GLU 58 N 1.37 4.33 -0.27 -0.62 -1.05 0.78 -2.59 118.70 120.64 1iyy s GLU 58 Ca -0.09 0.70 -0.25 0.00 -0.15 0.00 0.00 54.97 55.18 1iyy s GLU 58 Cb -0.08 -3.37 0.07 0.00 -0.44 0.00 0.00 34.13 30.31 1iyy s GLU 58 CO -0.13 0.31 0.73 -0.46 0.95 0.00 0.00 175.26 176.66 1iyy s TRP 59 N 0.04 -0.79 0.58 4.83 -0.11 -1.26 -3.09 118.94 119.14 1iyy s TRP 59 Ca 0.31 1.92 -0.17 0.00 1.22 0.00 0.00 56.10 59.37 1iyy s TRP 59 Cb -0.18 0.29 -0.04 0.00 -1.50 0.00 0.00 33.47 32.04 1iyy s TRP 59 CO 0.16 -0.38 1.08 -1.25 -4.62 0.00 0.00 176.95 171.94 1iyy s PRO 60 N 0.44 3.27 -0.18 5.86 0.04 -1.26 -2.17 135.00 140.99 1iyy s PRO 60 Ca -0.00 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 1iyy s PRO 60 Cb -0.05 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1iyy s PRO 60 CO -0.00 -0.87 -0.12 -1.50 0.04 0.00 0.00 177.00 174.54 1iyy s ILE 61 N -2.18 2.80 0.41 0.56 1.10 -1.13 -4.74 121.20 118.01 1iyy s ILE 61 Ca 0.67 -0.70 0.07 0.00 -0.51 0.00 0.00 60.65 60.18 1iyy s ILE 61 Cb -0.19 -2.22 -0.07 0.00 0.15 0.00 0.00 42.46 40.13 1iyy s ILE 61 CO 0.33 0.49 0.07 -0.76 -2.11 0.00 0.00 174.94 172.96 1iyy s LEU 62 N 1.15 2.97 -0.28 8.50 1.43 -1.26 -4.80 118.68 126.40 1iyy s LEU 62 Ca 0.01 -1.25 0.08 0.00 -1.03 0.00 0.00 54.13 51.95 1iyy s LEU 62 Cb -0.14 -1.12 0.46 0.00 0.03 0.00 0.00 46.19 45.42 1iyy s LEU 62 CO -0.04 -0.48 1.19 -0.24 0.23 0.00 0.00 176.35 177.01 1iyy n SER 63 N -1.07 4.43 -0.01 2.29 2.88 -1.26 -4.65 113.62 116.23 1iyy n SER 63 Ca -0.03 -3.65 -0.01 0.00 -1.33 0.00 0.00 58.87 53.84 1iyy n SER 63 Cb 0.66 -0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.73 4.34 0.00 -3.46 2.88 -1.26 -5.02 113.62 110.37 1iyy n SER 64 Ca 0.39 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1iyy n SER 64 Cb 0.94 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 64.89 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 2.91 0.77 0.95 0.46 0.00 -1.26 -4.93 105.19 104.09 1iyy n GLY 65 Ca -0.04 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1iyy n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iyy n ASP 66 N 0.22 3.37 -1.63 1.61 9.92 -1.26 -5.07 116.55 123.71 1iyy n ASP 66 Ca 0.00 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1iyy n ASP 66 Cb 0.00 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 1iyy n ASP 66 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1iyy n VAL 67 N 1.01 -4.51 -1.52 2.53 0.31 -1.26 -4.47 118.33 110.42 1iyy n VAL 67 Ca 0.17 2.11 -0.46 0.00 -0.01 0.00 0.00 64.34 66.15 1iyy n VAL 67 Cb 0.51 -3.07 -0.05 0.00 -0.91 0.00 0.00 33.84 30.32 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 -1.57 1.71 -2.64 3.52 9.36 -1.26 -4.63 117.16 121.65 1iyy n TYR 68 Ca 0.00 0.08 -0.04 0.00 3.32 0.00 0.00 57.90 61.27 1iyy n TYR 68 Cb 0.19 -2.63 0.02 0.00 -0.63 0.00 0.00 39.34 36.29 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 11.30 -1.13 0.05 2.98 3.41 -1.26 -4.62 113.62 124.36 1iyy n SER 69 Ca 0.37 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1iyy n SER 69 Cb 0.35 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 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 -0.52 -0.54 0.00 5.00 0.00 -1.26 -4.67 105.19 103.19 1iyy n GLY 70 Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.09 -1.14 3.04 -0.02 0.00 -1.26 -5.07 105.19 100.83 1iyy n GLY 71 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 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 1.40 -7.40 -4.84 1.61 7.64 -1.26 -4.98 113.62 105.79 1iyy n SER 72 Ca 0.00 -0.19 -0.32 0.00 1.01 0.00 0.00 58.87 59.37 1iyy n SER 72 Cb 0.00 -5.15 -0.01 0.00 -1.01 0.00 0.00 64.21 58.03 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 -3.26 3.73 3.27 1.43 0.04 -1.26 -4.86 135.00 134.09 1iyy s PRO 73 Ca 0.09 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1iyy s PRO 73 Cb -0.01 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1iyy s PRO 73 CO 0.72 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1iyy n GLY 74 N -1.70 -0.04 5.75 0.56 0.00 -1.26 -4.93 105.19 103.57 1iyy n GLY 74 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 5.05 0.00 -3.09 4.61 0.00 -1.15 -4.76 120.51 121.18 1iyy n ALA 75 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1iyy n ALA 75 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1iyy n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iyy s ASP 76 N -3.18 1.36 -0.04 0.00 1.01 -1.26 -0.57 116.67 113.99 1iyy s ASP 76 Ca 0.00 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.04 1iyy s ASP 76 Cb 0.00 -0.41 0.03 0.00 1.01 0.00 0.00 42.92 43.55 1iyy s ASP 76 CO 0.00 0.07 0.03 -0.13 0.21 0.00 0.00 175.17 175.34 1iyy s ARG 77 N 0.25 0.18 -0.21 8.23 0.52 -0.59 -2.83 118.95 124.50 1iyy s ARG 77 Ca -0.05 0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.34 1iyy s ARG 77 Cb -0.10 -0.57 -0.01 0.00 0.52 0.00 0.00 34.95 34.79 1iyy s ARG 77 CO 0.01 -0.25 -0.06 0.54 0.02 0.00 0.00 175.30 175.56 1iyy s VAL 78 N 1.68 3.28 0.84 3.52 0.11 -0.92 -0.54 120.40 128.36 1iyy s VAL 78 Ca -0.01 -0.53 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 1iyy s VAL 78 Cb -0.13 -2.48 0.10 0.00 -1.53 0.00 0.00 36.38 32.35 1iyy s VAL 78 CO -0.03 0.44 1.18 -0.69 -3.33 0.00 0.00 175.10 172.67 1iyy s VAL 79 N 1.37 2.00 0.04 2.04 1.01 -0.94 -4.06 120.40 121.86 1iyy s VAL 79 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1iyy s VAL 79 Cb -0.14 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1iyy s VAL 79 CO -0.03 0.00 0.13 2.22 0.00 0.00 0.00 175.10 177.41 1iyy n PHE 80 N -3.44 -0.94 0.00 5.22 -1.74 -1.07 -1.60 117.46 113.89 1iyy n PHE 80 Ca 0.08 -0.22 0.00 0.00 -0.56 0.00 0.00 57.45 56.76 1iyy n PHE 80 Cb 0.61 0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.71 1iyy n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1iyy n ASN 81 N -0.88 0.00 -0.40 5.98 5.15 -1.26 -0.90 115.26 122.94 1iyy n ASN 81 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1iyy n ASN 81 Cb 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 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 -0.86 0.00 -0.82 1.20 -0.58 -1.26 -4.69 120.64 113.62 1iyy n GLU 82 Ca 0.00 -0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.73 1iyy n GLU 82 Cb 0.00 -0.02 0.03 0.00 -0.57 0.00 0.00 31.44 30.89 1iyy n GLU 82 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1iyy n ASN 83 N 0.00 0.69 -1.65 1.62 4.13 -1.26 -4.95 115.26 113.84 1iyy n ASN 83 Ca 0.00 -2.23 -0.08 0.00 1.68 0.00 0.00 54.58 53.95 1iyy n ASN 83 Cb 0.51 -0.28 -0.03 0.00 -1.54 0.00 0.00 39.78 38.44 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 -0.03 -2.47 0.00 6.41 0.23 -1.26 -4.85 115.26 113.29 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 0.85 -2.37 0.00 0.00 -2.08 0.00 0.00 39.78 36.19 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 -1.94 0.00 0.00 -3.83 6.02 -1.26 -4.83 117.38 111.54 1iyy n GLN 85 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1iyy n GLN 85 Cb 0.38 -0.31 0.00 0.00 1.02 0.00 0.00 30.24 31.33 1iyy n GLN 85 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1iyy n LEU 86 N 0.00 0.00 0.00 1.08 -0.00 -1.26 -4.87 117.00 111.96 1iyy n LEU 86 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 1iyy n LEU 86 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1iyy n LEU 86 CO 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 177.39 177.61 1iyy h ALA 87 N 0.00 0.15 0.00 1.96 0.00 -1.59 -3.44 119.26 116.35 1iyy h ALA 87 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1iyy h ALA 87 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1iyy h ALA 87 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1iyy n GLY 88 N 0.94 3.05 3.45 0.00 0.00 -1.25 -4.52 105.19 106.86 1iyy n GLY 88 Ca -0.10 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 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 4.81 0.48 1.61 1.01 -1.26 -2.20 120.40 122.85 1iyy s VAL 89 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1iyy s VAL 89 Cb 0.00 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1iyy s VAL 89 CO 0.00 -0.85 0.66 0.27 0.00 0.00 0.00 175.10 175.17 1iyy s ILE 90 N 2.79 2.72 -0.06 2.22 -4.36 0.29 -1.95 121.20 122.85 1iyy s ILE 90 Ca 0.17 -0.97 -0.06 0.00 -0.26 0.00 0.00 60.65 59.52 1iyy s ILE 90 Cb -0.19 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.80 1iyy s ILE 90 CO 0.13 0.00 0.18 0.28 0.24 0.00 0.00 174.94 175.76 1iyy s THR 91 N -2.48 0.01 -0.96 8.37 -1.32 -0.93 -1.54 115.64 116.78 1iyy s THR 91 Ca 0.57 -0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.93 1iyy s THR 91 Cb -0.09 -0.28 0.05 0.00 -1.51 0.00 0.00 72.50 70.68 1iyy s THR 91 CO 0.35 -0.04 2.66 1.41 -2.21 0.00 0.00 174.62 176.79 1iyy n HIS 92 N 2.82 2.05 -1.65 9.09 8.25 0.27 -3.48 115.22 132.58 1iyy n HIS 92 Ca -0.14 -2.46 -0.01 0.00 -0.26 0.00 0.00 57.72 54.85 1iyy n HIS 92 Cb 0.58 -1.73 -0.01 0.00 1.12 0.00 0.00 29.99 29.95 1iyy n HIS 92 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1iyy n THR 93 N 1.67 0.00 -1.55 1.59 5.66 -1.20 -2.91 114.28 117.54 1iyy n THR 93 Ca 0.58 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.65 1iyy n THR 93 Cb 0.40 0.09 0.12 0.00 -1.55 0.00 0.00 70.33 69.39 1iyy n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1iyy n GLY 94 N 0.00 3.75 3.19 1.09 0.00 -1.21 -4.99 105.19 107.02 1iyy n GLY 94 Ca -0.05 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.14 -3.36 0.00 4.61 0.00 -1.02 -4.89 121.76 114.96 1iyy s ALA 95 Ca 0.28 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1iyy s ALA 95 Cb 0.27 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1iyy s ALA 95 CO -0.03 -1.08 0.00 0.43 0.00 0.00 0.00 175.76 175.08 1iyy n SER 96 N 4.78 -0.83 -0.35 0.00 7.64 -1.26 -1.77 113.62 121.84 1iyy n SER 96 Ca -0.07 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.86 1iyy n SER 96 Cb 0.55 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.00 -1.65 0.80 0.23 0.00 -1.26 -4.67 105.19 98.63 1iyy n GLY 97 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.04 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 -5.53 0.00 -1.60 1.61 0.23 -0.73 -4.56 115.26 104.69 1iyy n ASN 98 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.19 1iyy n ASN 98 Cb 0.46 0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 -1.60 -8.60 -4.68 0.53 2.85 -1.19 -2.44 115.26 100.14 1iyy n ASN 99 Ca 0.00 1.64 -0.38 0.00 -0.11 0.00 0.00 54.58 55.72 1iyy n ASN 99 Cb 0.00 -5.03 -0.07 0.00 1.24 0.00 0.00 39.78 35.92 1iyy n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1iyy s PHE 100 N -4.65 3.39 -0.07 1.20 0.40 -1.26 -3.97 117.98 113.02 1iyy s PHE 100 Ca 0.00 0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 56.95 1iyy s PHE 100 Cb 0.00 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 41.00 1iyy s PHE 100 CO 0.00 -0.00 0.19 0.14 0.70 0.00 0.00 175.22 176.25 1iyy s VAL 101 N 1.27 -0.01 0.04 -0.44 -7.23 -1.23 -4.81 120.40 107.99 1iyy s VAL 101 Ca 0.21 0.04 -0.38 0.00 -1.81 0.00 0.00 61.98 60.03 1iyy s VAL 101 Cb -0.15 -0.28 -0.18 0.00 0.56 0.00 0.00 36.38 36.33 1iyy s VAL 101 CO 0.08 0.02 1.22 -1.84 -0.31 0.00 0.00 175.10 174.27 1iyy n GLU 102 N 3.27 0.61 -1.54 4.82 0.00 -1.26 -2.19 120.64 124.35 1iyy n GLU 102 Ca -0.16 0.22 -0.34 0.00 0.00 0.00 0.00 57.16 56.89 1iyy n GLU 102 Cb 0.57 -1.80 -0.07 0.00 0.00 0.00 0.00 31.44 30.14 1iyy n GLU 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13