#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 0.84 -4.51 0.00 2.03 -1.14 -4.82 116.55 108.94 1iyy n ASP 3 Ca 0.00 -0.92 -0.34 0.00 0.52 0.00 0.00 54.79 54.05 1iyy n ASP 3 Cb 0.00 0.98 -0.12 0.00 -0.72 0.00 0.00 41.12 41.26 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 -2.60 3.00 -0.26 -0.67 2.02 -1.18 -5.02 117.35 112.64 1iyy s TYR 4 Ca 0.07 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1iyy s TYR 4 Cb 0.13 -1.90 0.14 0.00 -0.40 0.00 0.00 41.96 39.94 1iyy s TYR 4 CO 0.69 0.04 0.50 0.99 -1.57 0.00 0.00 175.55 176.21 1iyy s THR 5 N 0.10 -0.81 -0.87 -0.71 2.01 -1.24 -1.28 115.64 112.84 1iyy s THR 5 Ca -0.01 0.01 0.12 0.00 0.31 0.00 0.00 61.69 62.11 1iyy s THR 5 Cb -0.14 -0.88 0.56 0.00 0.01 0.00 0.00 72.50 72.05 1iyy s THR 5 CO 0.03 -0.03 1.40 0.00 -0.69 0.00 0.00 174.62 175.33 1iyy n GLY 7 N 0.69 -0.97 2.68 0.00 0.00 -1.26 -4.98 105.19 101.35 1iyy n GLY 7 Ca 0.19 0.41 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -1.74 -0.08 1.61 7.64 -1.26 -4.96 113.62 114.83 1iyy n SER 8 Ca 0.00 -2.31 -0.06 0.00 1.01 0.00 0.00 58.87 57.51 1iyy n SER 8 Cb 0.00 0.98 -0.14 0.00 -1.01 0.00 0.00 64.21 64.04 1iyy n SER 8 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iyy n ASN 9 N -0.66 0.78 -3.22 6.43 4.13 -1.26 -5.03 115.26 116.43 1iyy n ASN 9 Ca -0.08 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.07 1iyy n ASN 9 Cb 0.82 1.02 0.05 0.00 -1.54 0.00 0.00 39.78 40.13 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 -3.27 3.34 0.08 0.00 2.02 -0.40 -4.72 117.35 114.40 1iyy s TYR 11 Ca 0.32 1.45 -0.30 0.00 -0.37 0.00 0.00 57.07 58.17 1iyy s TYR 11 Cb -0.05 -3.28 -0.05 0.00 -0.40 0.00 0.00 41.96 38.19 1iyy s TYR 11 CO 0.75 -0.58 0.98 -1.12 -1.57 0.00 0.00 175.55 174.01 1iyy s SER 12 N 1.26 7.44 0.66 2.29 0.01 -1.25 -2.86 113.70 121.25 1iyy s SER 12 Ca 0.48 1.78 0.28 0.00 1.31 0.00 0.00 55.95 59.79 1iyy s SER 12 Cb -0.18 -2.58 1.52 0.00 0.21 0.00 0.00 66.02 64.99 1iyy s SER 12 CO 0.13 -0.14 1.85 -1.28 0.41 0.00 0.00 173.24 174.21 1iyy h SER 13 N 5.94 0.00 0.33 2.44 0.87 -1.93 0.21 113.55 121.41 1iyy h SER 13 Ca -0.42 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.81 1iyy h SER 13 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1iyy h SER 13 CO 0.73 0.00 -1.70 0.77 -0.53 0.00 0.00 176.83 176.10 1iyy h SER 14 N 0.00 0.39 0.94 6.23 4.64 -1.97 -3.15 113.55 120.63 1iyy h SER 14 Ca 0.00 -0.64 -0.11 0.00 -0.47 0.00 0.00 61.79 60.57 1iyy h SER 14 Cb 0.75 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1iyy h SER 14 CO 0.00 1.55 -0.52 -0.78 -0.87 0.00 0.00 176.83 176.21 1iyy h ASP 15 N 0.07 0.00 0.19 4.97 3.58 -1.06 -2.79 116.42 121.39 1iyy h ASP 15 Ca -0.31 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.02 1iyy h ASP 15 Cb 2.04 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.07 1iyy h ASP 15 CO 0.14 0.52 -0.44 0.58 -2.88 0.00 0.00 179.24 177.16 1iyy h VAL 16 N 0.00 1.32 -0.40 2.25 2.07 -1.12 -2.55 116.25 117.82 1iyy h VAL 16 Ca -0.01 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1iyy h VAL 16 Cb 1.13 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1iyy h VAL 16 CO 0.07 0.48 0.09 -1.28 0.02 0.00 0.00 177.57 176.94 1iyy h SER 17 N 0.25 0.55 -0.33 0.57 0.87 -1.45 0.99 113.55 115.00 1iyy h SER 17 Ca 0.02 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1iyy h SER 17 Cb 0.88 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1iyy h SER 17 CO 0.07 0.56 -0.22 0.74 -0.53 0.00 0.00 176.83 177.45 1iyy h THR 18 N 0.58 1.27 -0.00 2.23 2.02 -1.44 0.18 112.91 117.76 1iyy h THR 18 Ca 0.13 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1iyy h THR 18 Cb 0.24 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1iyy h THR 18 CO -0.00 0.45 -0.19 0.00 0.37 0.00 0.00 175.52 176.15 1iyy n ALA 19 N -2.50 2.86 -0.00 6.16 0.00 -0.64 -3.34 120.51 123.04 1iyy n ALA 19 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 1iyy n ALA 19 Cb 0.44 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1iyy n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1iyy n GLN 20 N -1.25 0.63 0.04 0.00 0.00 0.33 -3.63 117.38 113.51 1iyy n GLN 20 Ca 0.10 0.25 0.13 0.00 -0.00 0.00 0.00 57.00 57.48 1iyy n GLN 20 Cb 0.31 -1.78 0.53 0.00 0.00 0.00 0.00 30.24 29.30 1iyy n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iyy n ALA 21 N -2.49 2.28 0.14 1.69 0.00 -0.03 -1.94 120.51 120.15 1iyy n ALA 21 Ca -0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1iyy n ALA 21 Cb 0.96 -1.46 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 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 2.80 -0.11 0.00 0.00 0.00 -1.62 -1.25 119.26 119.08 1iyy h ALA 22 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1iyy h ALA 22 Cb 0.58 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1iyy h ALA 22 CO 0.00 0.75 -0.43 0.78 0.00 0.00 0.00 179.25 180.36 1iyy h GLY 23 N 0.43 0.00 0.00 0.00 0.00 -1.64 -3.13 103.07 98.72 1iyy h GLY 23 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1iyy h GLY 23 CO 0.26 0.00 -0.54 -1.82 0.00 0.00 0.00 176.54 174.45 1iyy h TYR 24 N 0.00 0.00 -0.83 5.60 3.20 -1.42 -3.04 116.97 120.48 1iyy h TYR 24 Ca 0.00 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 1iyy h TYR 24 Cb 0.77 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.98 1iyy h TYR 24 CO 0.00 0.21 0.55 1.96 -1.64 0.00 0.00 178.16 179.24 1iyy h GLN 25 N -1.00 0.47 -0.15 1.82 7.50 -1.39 -0.61 115.11 121.75 1iyy h GLN 25 Ca -0.05 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.04 1iyy h GLN 25 Cb 0.56 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1iyy h GLN 25 CO -0.03 0.31 -0.06 -0.07 -1.50 0.00 0.00 178.83 177.48 1iyy h LEU 26 N 0.48 0.32 -0.89 1.46 -0.00 -1.70 0.86 115.31 115.84 1iyy h LEU 26 Ca 0.42 -0.40 0.19 0.00 -0.00 0.00 0.00 57.88 58.09 1iyy h LEU 26 Cb 0.91 -0.09 -0.11 0.00 -0.00 0.00 0.00 40.66 41.37 1iyy h LEU 26 CO -0.16 0.65 0.44 -0.74 -0.00 0.00 0.00 178.44 178.63 1iyy h HIS 27 N -0.02 0.75 0.00 1.13 2.76 -0.99 0.14 115.15 118.91 1iyy h HIS 27 Ca 0.03 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1iyy h HIS 27 Cb 0.53 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 1iyy h HIS 27 CO 0.06 0.07 -0.69 1.49 -1.30 0.00 0.00 177.93 177.56 1iyy h GLU 28 N 0.52 0.00 0.00 5.26 4.57 -1.36 -3.27 114.58 120.30 1iyy h GLU 28 Ca 0.53 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.71 1iyy h GLU 28 Cb 0.91 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1iyy h GLU 28 CO -0.45 0.05 -0.02 0.22 -1.18 0.00 0.00 179.01 177.63 1iyy h ASP 29 N 0.00 0.00 -0.20 1.04 3.58 0.18 -3.46 116.42 117.56 1iyy h ASP 29 Ca -0.01 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 1iyy h ASP 29 Cb 1.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 1iyy h ASP 29 CO 0.01 0.02 -0.08 0.61 -2.88 0.00 0.00 179.24 176.92 1iyy n GLY 30 N 0.56 0.70 0.00 -0.78 0.00 -0.40 -5.02 105.19 100.25 1iyy n GLY 30 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.86 1.34 -2.17 1.61 4.71 -1.22 -5.09 120.64 116.97 1iyy n GLU 31 Ca -0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.09 1iyy n GLU 31 Cb 0.14 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.56 1iyy n GLU 31 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1iyy n THR 32 N -0.75 0.00 0.00 2.62 -1.04 -1.26 -4.82 114.28 109.03 1iyy n THR 32 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1iyy n THR 32 Cb 0.00 0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1iyy n THR 32 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1iyy n VAL 33 N -0.05 0.00 -0.03 12.58 0.31 -1.26 -4.95 118.33 124.92 1iyy n VAL 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1iyy n VAL 33 Cb 0.04 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1iyy n VAL 33 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iyy n GLY 34 N 3.81 0.74 0.00 2.92 0.00 -1.26 -4.95 105.19 106.45 1iyy n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.67 0.00 -0.13 1.61 7.64 -1.26 -4.93 113.62 115.88 1iyy n SER 35 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 1iyy n SER 35 Cb 0.01 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.39 -0.06 6.43 5.03 -1.26 -5.00 115.26 120.79 1iyy n ASN 36 Ca 0.00 -1.59 0.00 0.00 0.87 0.00 0.00 54.58 53.86 1iyy n ASN 36 Cb 0.00 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 1iyy n ASN 36 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1iyy n SER 37 N -0.48 -0.96 0.00 6.41 3.41 -1.26 -4.95 113.62 115.78 1iyy n SER 37 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1iyy n SER 37 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.11 0.00 -2.27 7.33 4.19 -1.26 -4.71 117.16 120.32 1iyy n TYR 38 Ca 0.00 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.82 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 2.88 0.14 2.98 0.04 -1.21 -4.16 135.00 135.68 1iyy s PRO 39 Ca 0.00 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.25 1iyy s PRO 39 Cb 0.00 -4.32 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 1iyy s PRO 39 CO 0.00 -2.48 0.16 0.72 0.04 0.00 0.00 177.00 175.44 1iyy n HIS 40 N 11.24 -0.61 -3.50 0.56 -0.00 -1.14 -4.67 115.22 117.10 1iyy n HIS 40 Ca 0.13 -1.03 -0.37 0.00 -0.00 0.00 0.00 57.72 56.45 1iyy n HIS 40 Cb 0.51 0.18 -0.08 0.00 -0.00 0.00 0.00 29.99 30.59 1iyy n HIS 40 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1iyy s LYS 41 N -2.42 4.16 -0.10 -0.41 2.36 -1.26 -0.81 119.74 121.26 1iyy s LYS 41 Ca 0.14 0.03 -0.03 0.00 -2.55 0.00 0.00 55.97 53.56 1iyy s LYS 41 Cb 0.00 -3.52 -0.03 0.00 -1.05 0.00 0.00 37.83 33.23 1iyy s LYS 41 CO 0.10 0.04 0.04 -0.47 1.55 0.00 0.00 175.35 176.60 1iyy s TYR 42 N 1.08 3.26 0.02 4.03 5.04 0.26 -4.79 117.35 126.26 1iyy s TYR 42 Ca 0.15 0.26 -0.21 0.00 -2.44 0.00 0.00 57.07 54.83 1iyy s TYR 42 Cb -0.14 -1.84 -0.16 0.00 0.35 0.00 0.00 41.96 40.17 1iyy s TYR 42 CO 0.06 0.51 1.30 -0.91 -1.34 0.00 0.00 175.55 175.18 1iyy h ASN 43 N 5.20 0.33 -3.11 4.32 4.21 -1.89 -2.97 115.58 121.67 1iyy h ASN 43 Ca -0.51 -0.51 -0.05 0.00 1.21 0.00 0.00 56.30 56.44 1iyy h ASN 43 Cb 1.20 -0.09 0.03 0.00 -1.12 0.00 0.00 38.32 38.34 1iyy h ASN 43 CO 0.56 0.78 -0.15 -3.20 -1.29 0.00 0.00 177.43 174.13 1iyy n ASN 44 N -4.58 -2.48 -2.61 5.81 5.15 -1.26 -4.71 115.26 110.58 1iyy n ASN 44 Ca -0.07 -0.12 -0.35 0.00 -0.60 0.00 0.00 54.58 53.45 1iyy n ASN 44 Cb 0.37 -1.33 0.04 0.00 -0.53 0.00 0.00 39.78 38.33 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 -1.70 3.11 -0.08 1.20 4.01 -1.26 -4.47 117.16 117.96 1iyy n TYR 45 Ca -0.03 -2.64 -0.07 0.00 -0.16 0.00 0.00 57.90 55.01 1iyy n TYR 45 Cb 0.52 -0.94 -0.15 0.00 -0.31 0.00 0.00 39.34 38.47 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 -0.63 0.84 0.00 -0.72 2.13 -1.26 -4.98 120.64 116.03 1iyy n GLU 46 Ca 0.52 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1iyy n GLU 46 Cb 0.49 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.70 1iyy n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iyy n GLY 47 N 1.76 1.77 0.00 8.31 0.00 -1.26 -5.13 105.19 110.63 1iyy n GLY 47 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.21 -2.52 1.61 3.01 -1.26 -5.01 117.46 111.08 1iyy n PHE 48 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 1iyy n PHE 48 Cb 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.52 1iyy n PHE 48 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1iyy n ASP 49 N -2.75 -0.56 -3.10 4.37 8.00 -1.26 -5.13 116.55 116.12 1iyy n ASP 49 Ca 0.00 -2.11 -0.16 0.00 0.71 0.00 0.00 54.79 53.23 1iyy n ASP 49 Cb 0.00 0.28 0.15 0.00 -0.02 0.00 0.00 41.12 41.53 1iyy n ASP 49 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iyy n PHE 50 N -0.80 -3.06 -2.61 1.24 3.72 -1.26 -4.99 117.46 109.70 1iyy n PHE 50 Ca -0.14 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 1iyy n PHE 50 Cb 0.85 -0.64 0.04 0.00 -0.94 0.00 0.00 39.48 38.78 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 -4.38 0.70 0.00 4.37 3.41 -1.26 -4.97 113.62 111.50 1iyy n SER 51 Ca 0.07 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1iyy n SER 51 Cb 0.31 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.27 0.00 -3.82 -3.33 0.31 -1.26 -5.10 118.33 104.85 1iyy n VAL 52 Ca -0.00 0.41 -0.08 0.00 -0.01 0.00 0.00 64.34 64.66 1iyy n VAL 52 Cb 0.92 -1.34 0.02 0.00 -0.91 0.00 0.00 33.84 32.53 1iyy n VAL 52 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1iyy s SER 53 N -3.16 -0.01 -0.13 4.52 0.15 -1.26 -5.06 113.70 108.75 1iyy s SER 53 Ca 0.00 -1.01 -0.25 0.00 0.70 0.00 0.00 55.95 55.39 1iyy s SER 53 Cb 0.00 0.77 -0.22 0.00 -1.71 0.00 0.00 66.02 64.86 1iyy s SER 53 CO 0.00 -1.53 0.70 0.28 1.20 0.00 0.00 173.24 173.89 1iyy h SER 54 N 2.00 -0.01 -0.85 5.45 0.02 -1.98 -3.40 113.55 114.78 1iyy h SER 54 Ca -0.30 -0.82 -0.51 0.00 -0.84 0.00 0.00 61.79 59.31 1iyy h SER 54 Cb 1.24 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1iyy h SER 54 CO 0.38 0.89 1.45 -2.16 -1.14 0.00 0.00 176.83 176.26 1iyy s PRO 55 N -2.28 3.29 0.86 3.45 0.04 -1.26 -4.88 135.00 134.22 1iyy s PRO 55 Ca -0.16 -1.19 -0.15 0.00 0.04 0.00 0.00 61.00 59.54 1iyy s PRO 55 Cb -0.02 -5.33 0.20 0.00 0.04 0.00 0.00 34.50 29.39 1iyy s PRO 55 CO 0.59 -2.78 1.12 0.66 0.04 0.00 0.00 177.00 176.63 1iyy n TYR 56 N 10.79 -3.98 -3.73 0.56 4.01 -1.12 -4.56 117.16 119.13 1iyy n TYR 56 Ca 0.41 -0.99 -0.13 0.00 -0.16 0.00 0.00 57.90 57.02 1iyy n TYR 56 Cb 0.48 -0.89 -0.09 0.00 -0.31 0.00 0.00 39.34 38.53 1iyy n TYR 56 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1iyy s TYR 57 N -3.42 -0.33 -0.11 -0.72 1.51 0.11 -0.58 117.35 113.81 1iyy s TYR 57 Ca 0.64 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 57.37 1iyy s TYR 57 Cb -0.02 0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.93 1iyy s TYR 57 CO 0.45 -0.31 0.06 -1.83 -1.11 0.00 0.00 175.55 172.81 1iyy s GLU 58 N -0.55 3.28 -0.27 -0.62 -1.05 0.01 -2.75 118.70 116.75 1iyy s GLU 58 Ca -0.07 -0.31 -0.24 0.00 -0.15 0.00 0.00 54.97 54.21 1iyy s GLU 58 Cb -0.04 -2.98 0.08 0.00 -0.44 0.00 0.00 34.13 30.75 1iyy s GLU 58 CO 0.03 0.67 0.75 -0.46 0.95 0.00 0.00 175.26 177.19 1iyy s TRP 59 N -0.75 -0.79 0.38 4.83 -0.11 -1.22 -2.88 118.94 118.40 1iyy s TRP 59 Ca 0.12 1.87 -0.27 0.00 1.22 0.00 0.00 56.10 59.05 1iyy s TRP 59 Cb -0.12 0.31 -0.09 0.00 -1.50 0.00 0.00 33.47 32.08 1iyy s TRP 59 CO 0.03 -0.38 1.26 -1.25 -4.62 0.00 0.00 176.95 171.99 1iyy s PRO 60 N 0.50 4.11 -0.09 5.86 0.04 -1.26 -2.13 135.00 142.03 1iyy s PRO 60 Ca -0.01 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.15 1iyy s PRO 60 Cb -0.05 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 1iyy s PRO 60 CO -0.02 -0.35 -0.22 -1.50 0.04 0.00 0.00 177.00 174.96 1iyy s ILE 61 N -1.26 2.29 0.34 0.56 1.10 -1.21 -4.76 121.20 118.26 1iyy s ILE 61 Ca 0.54 -0.95 0.09 0.00 -0.51 0.00 0.00 60.65 59.82 1iyy s ILE 61 Cb -0.36 -1.88 -0.07 0.00 0.15 0.00 0.00 42.46 40.30 1iyy s ILE 61 CO 0.47 0.56 -0.08 -0.76 -2.11 0.00 0.00 174.94 173.02 1iyy s LEU 62 N 0.18 2.71 0.00 8.50 1.43 -1.26 -4.85 118.68 125.38 1iyy s LEU 62 Ca -0.13 -1.22 0.10 0.00 -1.03 0.00 0.00 54.13 51.86 1iyy s LEU 62 Cb -0.16 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.17 1iyy s LEU 62 CO 0.07 -0.25 0.76 -1.54 0.23 0.00 0.00 176.35 175.61 1iyy n SER 63 N -0.78 1.62 0.03 2.29 3.41 -1.26 -4.49 113.62 114.43 1iyy n SER 63 Ca -0.05 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.10 1iyy n SER 63 Cb 0.64 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.73 1iyy n SER 63 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1iyy h SER 64 N 1.70 0.75 0.00 4.04 0.87 -1.99 -3.48 113.55 115.44 1iyy h SER 64 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1iyy h SER 64 Cb 0.40 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1iyy h SER 64 CO 0.00 1.33 0.00 0.61 -0.53 0.00 0.00 176.83 178.24 1iyy n GLY 65 N 0.81 0.80 3.22 5.77 0.00 -1.26 -5.13 105.19 109.41 1iyy n GLY 65 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.16 -0.23 0.27 1.61 1.01 -1.26 -5.12 116.67 111.78 1iyy s ASP 66 Ca 0.00 0.27 -0.30 0.00 0.71 0.00 0.00 52.55 53.24 1iyy s ASP 66 Cb 0.00 0.43 -0.10 0.00 1.01 0.00 0.00 42.92 44.26 1iyy s ASP 66 CO 0.00 -0.33 1.38 -0.69 0.21 0.00 0.00 175.17 175.75 1iyy s VAL 67 N -0.80 2.75 0.48 -1.27 1.01 -1.26 -4.78 120.40 116.53 1iyy s VAL 67 Ca -0.09 0.66 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 1iyy s VAL 67 Cb -0.04 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 1iyy s VAL 67 CO 0.03 0.12 0.56 0.00 0.00 0.00 0.00 175.10 175.81 1iyy n TYR 68 N 1.90 -0.48 -2.67 5.22 9.36 -1.26 -4.92 117.16 124.31 1iyy n TYR 68 Ca 0.05 0.53 -0.04 0.00 3.32 0.00 0.00 57.90 61.75 1iyy n TYR 68 Cb 0.41 -1.99 0.06 0.00 -0.63 0.00 0.00 39.34 37.19 1iyy n TYR 68 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1iyy n SER 69 N 0.92 -1.29 0.00 2.98 2.88 -1.26 -4.73 113.62 113.11 1iyy n SER 69 Ca 0.11 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 1iyy n SER 69 Cb 0.43 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.01 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 -0.04 1.63 0.00 0.46 0.00 -1.26 -4.86 105.19 101.12 1iyy n GLY 70 Ca -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 2.52 -0.60 3.41 -0.02 0.00 -1.26 -5.09 105.19 104.15 1iyy n GLY 71 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1iyy n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iyy s SER 72 N -4.00 5.50 -0.15 1.61 1.04 -1.26 -5.06 113.70 111.38 1iyy s SER 72 Ca 0.00 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.50 1iyy s SER 72 Cb 0.00 -1.98 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 1iyy s SER 72 CO 0.00 -0.23 1.22 -2.16 0.98 0.00 0.00 173.24 173.05 1iyy s PRO 73 N 1.58 4.26 0.00 4.02 0.04 -1.26 -4.72 135.00 138.92 1iyy s PRO 73 Ca 0.04 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1iyy s PRO 73 Cb -0.17 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1iyy s PRO 73 CO 0.06 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1iyy n GLY 74 N 3.52 0.52 5.20 0.56 0.00 -1.26 -5.02 105.19 108.71 1iyy n GLY 74 Ca 0.13 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.01 0.00 -3.78 4.61 0.00 -1.17 -4.33 120.51 115.85 1iyy n ALA 75 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 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 -4.00 3.07 0.06 0.00 1.01 -1.26 -0.75 116.67 114.80 1iyy s ASP 76 Ca 0.00 -0.87 0.08 0.00 0.71 0.00 0.00 52.55 52.47 1iyy s ASP 76 Cb 0.00 -0.73 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 1iyy s ASP 76 CO 0.00 -0.28 -0.19 -0.13 0.21 0.00 0.00 175.17 174.78 1iyy s ARG 77 N 1.76 1.98 -0.09 8.23 3.00 -0.38 -3.32 118.95 130.11 1iyy s ARG 77 Ca -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 55.73 54.69 1iyy s ARG 77 Cb -0.17 -2.15 -0.02 0.00 0.00 0.00 0.00 34.95 32.61 1iyy s ARG 77 CO -0.07 0.52 -0.13 0.54 0.00 0.00 0.00 175.30 176.16 1iyy s VAL 78 N -0.96 3.09 0.40 3.52 0.11 -0.90 -0.81 120.40 124.84 1iyy s VAL 78 Ca 0.15 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1iyy s VAL 78 Cb -0.10 -2.25 -0.00 0.00 -1.53 0.00 0.00 36.38 32.49 1iyy s VAL 78 CO 0.06 0.56 0.57 -0.69 -3.33 0.00 0.00 175.10 172.26 1iyy s VAL 79 N -0.17 3.79 0.04 2.04 1.01 -0.76 -3.45 120.40 122.90 1iyy s VAL 79 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1iyy s VAL 79 Cb -0.13 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1iyy s VAL 79 CO 0.03 -0.17 0.14 2.22 0.00 0.00 0.00 175.10 177.31 1iyy n PHE 80 N -1.86 -0.91 0.00 5.22 -1.74 -1.11 -1.47 117.46 115.59 1iyy n PHE 80 Ca 0.02 -0.22 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 1iyy n PHE 80 Cb 0.58 0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.69 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 -0.85 0.00 0.00 5.98 5.15 -1.26 -0.72 115.26 123.56 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 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 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 -0.65 0.00 -0.24 1.20 1.02 -1.26 -4.71 120.64 116.00 1iyy n GLU 82 Ca 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1iyy n GLU 82 Cb 0.00 -0.21 0.01 0.00 -0.02 0.00 0.00 31.44 31.21 1iyy n GLU 82 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1iyy n ASN 83 N 0.00 0.18 -2.52 1.62 2.85 -1.26 -4.97 115.26 111.15 1iyy n ASN 83 Ca 0.00 -1.59 -0.20 0.00 -0.11 0.00 0.00 54.58 52.67 1iyy n ASN 83 Cb 0.46 -0.11 -0.00 0.00 1.24 0.00 0.00 39.78 41.37 1iyy n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1iyy n ASN 84 N -0.08 -5.77 0.26 1.20 5.15 -1.26 -4.81 115.26 109.95 1iyy n ASN 84 Ca 0.01 -0.05 0.11 0.00 -0.60 0.00 0.00 54.58 54.04 1iyy n ASN 84 Cb 0.59 -4.78 0.69 0.00 -0.53 0.00 0.00 39.78 35.74 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 -0.25 0.00 -1.49 1.20 4.20 -1.94 -3.48 115.11 113.35 1iyy h GLN 85 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1iyy h GLN 85 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1iyy h GLN 85 CO 0.56 0.12 0.00 -0.11 -0.67 0.00 0.00 178.83 178.74 1iyy n LEU 86 N -3.87 -1.42 0.09 1.46 -0.00 -1.26 -4.98 117.00 107.02 1iyy n LEU 86 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.79 1iyy n LEU 86 Cb 0.22 -0.71 -0.15 0.00 -0.00 0.00 0.00 43.42 42.78 1iyy n LEU 86 CO 0.32 0.00 -0.33 0.00 -0.00 0.00 0.00 177.39 177.37 1iyy h ALA 87 N 0.00 0.11 0.00 1.96 0.00 -1.57 -3.45 119.26 116.31 1iyy h ALA 87 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1iyy h ALA 87 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iyy h ALA 87 CO 0.00 0.98 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1iyy n GLY 88 N 1.72 2.67 3.28 0.00 0.00 -1.25 -4.62 105.19 106.98 1iyy n GLY 88 Ca -0.18 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 4.56 0.52 1.61 1.01 -1.26 -1.83 120.40 123.01 1iyy s VAL 89 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1iyy s VAL 89 Cb 0.00 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1iyy s VAL 89 CO 0.00 -0.68 0.74 0.27 0.00 0.00 0.00 175.10 175.44 1iyy s ILE 90 N 1.47 3.04 0.20 2.22 -4.36 0.01 -2.15 121.20 121.63 1iyy s ILE 90 Ca 0.04 -0.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.84 1iyy s ILE 90 Cb -0.26 -3.13 0.02 0.00 1.25 0.00 0.00 42.46 40.34 1iyy s ILE 90 CO 0.02 -0.09 0.19 1.07 0.24 0.00 0.00 174.94 176.37 1iyy n THR 91 N -2.27 0.00 -2.99 8.37 5.66 -0.92 -1.25 114.28 120.88 1iyy n THR 91 Ca 0.06 -0.74 -0.15 0.00 -3.05 0.00 0.00 64.05 60.18 1iyy n THR 91 Cb 0.59 -0.51 0.01 0.00 -1.55 0.00 0.00 70.33 68.88 1iyy n THR 91 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1iyy n HIS 92 N -1.12 -1.32 0.00 1.09 8.25 0.07 -3.88 115.22 118.30 1iyy n HIS 92 Ca 0.01 -2.98 0.00 0.00 -0.26 0.00 0.00 57.72 54.49 1iyy n HIS 92 Cb 0.22 0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 0.67 0.00 0.37 1.59 -1.04 -1.23 -3.01 114.28 111.63 1iyy n THR 93 Ca 0.16 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.22 1iyy n THR 93 Cb 0.65 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 69.38 1iyy n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iyy n GLY 94 N 0.00 -0.80 3.73 3.41 0.00 -1.26 -4.64 105.19 105.63 1iyy n GLY 94 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.92 3.92 -0.25 4.61 0.00 -1.26 -5.00 121.76 120.85 1iyy s ALA 95 Ca 0.06 -0.77 -0.43 0.00 0.00 0.00 0.00 51.96 50.82 1iyy s ALA 95 Cb 0.07 0.06 -0.19 0.00 0.00 0.00 0.00 23.12 23.06 1iyy s ALA 95 CO 0.18 -0.04 1.41 0.45 0.00 0.00 0.00 175.76 177.75 1iyy n SER 96 N -1.20 0.94 0.00 0.00 2.88 -1.26 -2.99 113.62 111.99 1iyy n SER 96 Ca -0.16 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1iyy n SER 96 Cb 0.67 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1iyy n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyy n GLY 97 N 3.01 0.83 2.08 0.46 0.00 -1.26 -2.51 105.19 107.80 1iyy n GLY 97 Ca 0.26 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.75 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 3.71 -1.00 -3.50 1.61 0.23 -1.16 -4.30 115.26 110.84 1iyy n ASN 98 Ca 0.00 -1.80 -0.17 0.00 -0.53 0.00 0.00 54.58 52.07 1iyy n ASN 98 Cb 0.00 0.45 0.16 0.00 -2.08 0.00 0.00 39.78 38.31 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 -0.93 -3.17 -4.74 0.53 5.15 -1.05 -3.47 115.26 107.58 1iyy n ASN 99 Ca -0.14 -0.46 -0.32 0.00 -0.60 0.00 0.00 54.58 53.06 1iyy n ASN 99 Cb 0.74 -0.78 -0.07 0.00 -0.53 0.00 0.00 39.78 39.14 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 -2.07 3.17 -0.25 1.20 0.08 -1.25 -3.73 117.98 115.13 1iyy s PHE 100 Ca 0.37 0.11 -0.26 0.00 0.12 0.00 0.00 56.93 57.28 1iyy s PHE 100 Cb -0.07 -1.67 0.07 0.00 -0.57 0.00 0.00 43.02 40.79 1iyy s PHE 100 CO 0.32 0.51 0.73 0.14 -0.10 0.00 0.00 175.22 176.82 1iyy s VAL 101 N -1.22 0.00 0.17 -0.44 -7.23 -1.26 -4.83 120.40 105.59 1iyy s VAL 101 Ca 0.24 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.12 1iyy s VAL 101 Cb -0.12 -1.00 -0.17 0.00 0.56 0.00 0.00 36.38 35.65 1iyy s VAL 101 CO 0.15 0.00 0.58 -1.84 -0.31 0.00 0.00 175.10 173.68 1iyy n GLU 102 N 2.52 0.00 -3.10 4.82 -0.00 -1.26 -2.16 120.64 121.45 1iyy n GLU 102 Ca -0.14 0.00 -0.45 0.00 -0.00 0.00 0.00 57.16 56.57 1iyy n GLU 102 Cb 0.55 -1.04 -0.04 0.00 -0.00 0.00 0.00 31.44 30.92 1iyy n GLU 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13