#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4y s GLU 3 N 0.00 0.47 -0.24 0.00 4.04 -1.26 -1.00 118.70 120.71 1y4y s GLU 3 Ca 0.00 -0.86 -0.16 0.00 0.04 0.00 0.00 54.97 53.99 1y4y s GLU 3 Cb 0.00 0.17 0.07 0.00 0.02 0.00 0.00 34.13 34.39 1y4y s GLU 3 CO 0.00 -0.09 0.60 0.21 -1.84 0.00 0.00 175.26 174.14 1y4y s LYS 4 N -2.58 0.64 -0.04 -4.83 2.20 -0.62 -5.01 119.74 109.49 1y4y s LYS 4 Ca -0.05 1.01 -0.07 0.00 -0.36 0.00 0.00 55.97 56.49 1y4y s LYS 4 Cb -0.02 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1y4y s LYS 4 CO -0.05 -0.13 0.22 0.99 -0.36 0.00 0.00 175.35 176.02 1y4y s THR 5 N 1.17 5.38 0.13 3.43 2.01 -1.26 -1.23 115.64 125.26 1y4y s THR 5 Ca -0.07 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.17 1y4y s THR 5 Cb -0.06 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1y4y s THR 5 CO -0.12 0.47 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.81 1y4y s PHE 6 N -1.18 1.28 -0.18 4.92 0.40 0.27 -4.99 117.98 118.50 1y4y s PHE 6 Ca 0.23 -0.66 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1y4y s PHE 6 Cb -0.13 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.70 1y4y s PHE 6 CO 0.12 0.10 0.06 0.21 0.70 0.00 0.00 175.22 176.40 1y4y s LYS 7 N -3.18 3.96 -0.31 0.44 2.47 -1.26 -1.38 119.74 120.47 1y4y s LYS 7 Ca 0.12 -0.35 -0.26 0.00 -1.56 0.00 0.00 55.97 53.92 1y4y s LYS 7 Cb -0.01 -3.20 0.01 0.00 -1.46 0.00 0.00 37.83 33.17 1y4y s LYS 7 CO 0.02 0.27 0.91 0.08 0.16 0.00 0.00 175.35 176.78 1y4y s VAL 8 N 0.38 4.68 -0.99 4.02 1.01 0.10 -1.96 120.40 127.62 1y4y s VAL 8 Ca 0.03 1.41 0.16 0.00 0.00 0.00 0.00 61.98 63.58 1y4y s VAL 8 Cb -0.12 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.87 1y4y s VAL 8 CO 0.00 -0.35 0.74 1.33 0.00 0.00 0.00 175.10 176.83 1y4y n VAL 9 N 5.67 0.00 -2.30 2.92 0.24 0.99 -0.90 118.33 124.95 1y4y n VAL 9 Ca 0.07 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 1y4y n VAL 9 Cb 0.48 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 1y4y n VAL 9 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1y4y s SER 10 N -2.36 7.00 0.33 -1.34 0.15 -1.04 -4.92 113.70 111.52 1y4y s SER 10 Ca 0.08 2.35 0.01 0.00 0.70 0.00 0.00 55.95 59.09 1y4y s SER 10 Cb 0.13 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.38 1y4y s SER 10 CO 0.59 -0.42 1.97 0.44 1.20 0.00 0.00 173.24 177.02 1y4y h ASP 11 N 4.95 0.78 -0.50 5.45 3.45 -1.94 -2.39 116.42 126.21 1y4y h ASP 11 Ca -0.45 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1y4y h ASP 11 Cb 1.21 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1y4y h ASP 11 CO 0.74 0.60 0.00 -1.54 -1.57 0.00 0.00 179.24 177.47 1y4y n SER 12 N -4.40 3.78 0.00 6.45 3.41 -1.26 -4.45 113.62 117.14 1y4y n SER 12 Ca 0.06 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1y4y n SER 12 Cb 0.07 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1y4y n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y4y n GLY 13 N 0.94 2.60 3.04 5.00 0.00 -0.90 -4.18 105.19 111.69 1y4y n GLY 13 Ca 0.20 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1y4y n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4y s ILE 14 N 0.00 2.80 0.26 -0.61 1.01 -0.30 -4.72 121.20 119.64 1y4y s ILE 14 Ca 0.00 -2.60 -0.09 0.00 0.00 0.00 0.00 60.65 57.96 1y4y s ILE 14 Cb 0.00 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 1y4y s ILE 14 CO 0.00 -0.71 0.43 -1.00 0.00 0.00 0.00 174.94 173.66 1y4y s HIS 15 N 0.53 0.60 0.00 3.97 3.76 -1.26 -4.36 115.29 118.53 1y4y s HIS 15 Ca 0.13 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 1y4y s HIS 15 Cb -0.22 0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1y4y s HIS 15 CO -0.05 -0.98 0.00 0.00 -0.85 0.00 0.00 174.74 172.87 1y4y n ALA 16 N -0.40 0.00 0.11 -1.40 0.00 -1.26 -2.54 120.51 115.01 1y4y n ALA 16 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1y4y n ALA 16 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 1y4y n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1y4y h ARG 17 N 0.00 -0.19 -0.99 0.00 2.43 -2.00 -1.73 114.38 111.91 1y4y h ARG 17 Ca 0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.33 1y4y h ARG 17 Cb 0.00 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 1y4y h ARG 17 CO 0.00 -0.08 0.62 -1.35 -1.51 0.00 0.00 179.97 177.65 1y4y h PRO 18 N -0.24 0.86 -0.49 0.20 0.11 -1.95 -0.93 132.00 129.56 1y4y h PRO 18 Ca -0.02 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1y4y h PRO 18 Cb 0.19 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1y4y h PRO 18 CO 0.03 0.57 0.09 0.00 -0.21 0.00 0.00 178.00 178.48 1y4y h ALA 19 N 1.58 0.65 -0.83 -0.75 0.00 -1.16 -1.83 119.26 116.92 1y4y h ALA 19 Ca 0.52 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1y4y h ALA 19 Cb 0.65 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1y4y h ALA 19 CO -0.29 0.37 0.47 1.15 0.00 0.00 0.00 179.25 180.95 1y4y h THR 20 N 0.68 0.90 -0.33 0.00 2.02 -0.45 -1.33 112.91 114.40 1y4y h THR 20 Ca 0.15 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 1y4y h THR 20 Cb 0.37 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1y4y h THR 20 CO 0.01 0.14 -0.35 0.40 0.37 0.00 0.00 175.52 176.09 1y4y h ILE 21 N 0.79 1.28 -0.19 3.11 2.04 -0.85 -1.66 117.51 122.03 1y4y h ILE 21 Ca 0.40 -1.52 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1y4y h ILE 21 Cb 0.37 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1y4y h ILE 21 CO -0.25 0.50 -0.00 0.25 0.00 0.00 0.00 178.15 178.64 1y4y h LEU 22 N 0.63 -0.08 -0.59 1.44 5.85 -0.82 -0.99 115.31 120.76 1y4y h LEU 22 Ca 0.06 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1y4y h LEU 22 Cb 0.89 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1y4y h LEU 22 CO 0.08 -0.01 0.31 0.58 -0.34 0.00 0.00 178.44 179.06 1y4y h VAL 23 N 0.06 0.97 -0.81 1.05 2.07 -1.04 -2.00 116.25 116.55 1y4y h VAL 23 Ca 0.09 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1y4y h VAL 23 Cb 0.11 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1y4y h VAL 23 CO -0.15 0.11 0.38 1.56 0.02 0.00 0.00 177.57 179.49 1y4y h GLN 24 N 0.60 1.17 -0.47 1.57 4.20 -0.84 -0.49 115.11 120.84 1y4y h GLN 24 Ca 0.26 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1y4y h GLN 24 Cb 0.15 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1y4y h GLN 24 CO -0.17 0.91 0.28 1.15 -0.67 0.00 0.00 178.83 180.33 1y4y h THR 25 N 1.15 1.06 -0.99 -0.54 2.02 -0.96 -2.61 112.91 112.04 1y4y h THR 25 Ca 0.28 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1y4y h THR 25 Cb 0.13 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 1y4y h THR 25 CO -0.03 0.10 0.65 0.00 0.37 0.00 0.00 175.52 176.61 1y4y h ALA 26 N 1.21 1.25 0.00 6.16 0.00 -0.75 -2.84 119.26 124.29 1y4y h ALA 26 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1y4y h ALA 26 Cb 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1y4y h ALA 26 CO -0.08 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.48 1y4y h SER 27 N 1.34 0.00 0.72 0.00 4.64 -0.71 -2.56 113.55 116.98 1y4y h SER 27 Ca 0.36 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.65 1y4y h SER 27 Cb -0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1y4y h SER 27 CO -0.08 0.00 -0.15 0.11 -0.87 0.00 0.00 176.83 175.84 1y4y h LYS 28 N 0.00 0.00 -5.82 4.77 1.57 -1.41 -3.45 116.57 112.23 1y4y h LYS 28 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1y4y h LYS 28 Cb 0.37 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 1y4y h LYS 28 CO 0.00 0.15 -0.52 -0.06 -0.57 0.00 0.00 179.45 178.46 1y4y s PHE 29 N -3.84 3.48 0.42 -1.35 0.40 -0.97 -5.01 117.98 111.12 1y4y s PHE 29 Ca -0.01 0.36 0.11 0.00 -0.60 0.00 0.00 56.93 56.79 1y4y s PHE 29 Cb 0.11 -1.84 0.91 0.00 0.51 0.00 0.00 43.02 42.72 1y4y s PHE 29 CO 0.60 0.64 1.99 -0.91 0.70 0.00 0.00 175.22 178.23 1y4y h ASN 30 N 4.26 0.17 -3.59 1.36 2.35 -1.88 -3.45 115.58 114.81 1y4y h ASN 30 Ca -0.51 -0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 54.65 1y4y h ASN 30 Cb 1.20 -0.05 0.16 0.00 0.05 0.00 0.00 38.32 39.69 1y4y h ASN 30 CO 0.64 0.28 0.11 -1.20 -1.65 0.00 0.00 177.43 175.61 1y4y n SER 31 N -4.35 0.71 -4.73 5.81 7.64 -1.26 -4.95 113.62 112.49 1y4y n SER 31 Ca -0.01 0.79 -0.41 0.00 1.01 0.00 0.00 58.87 60.25 1y4y n SER 31 Cb 0.21 -1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 61.98 1y4y n SER 31 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1y4y s GLU 32 N -2.79 4.67 -0.02 1.43 8.01 -0.69 -4.90 118.70 124.42 1y4y s GLU 32 Ca 0.76 1.48 0.02 0.00 0.01 0.00 0.00 54.97 57.25 1y4y s GLU 32 Cb -0.41 -3.37 0.00 0.00 -4.31 0.00 0.00 34.13 26.04 1y4y s GLU 32 CO 0.47 0.17 -0.07 0.42 0.01 0.00 0.00 175.26 176.26 1y4y s ILE 33 N 0.08 0.60 0.18 -1.63 1.01 -1.26 -1.26 121.20 118.90 1y4y s ILE 33 Ca 0.48 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.94 1y4y s ILE 33 Cb -0.24 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1y4y s ILE 33 CO 0.30 0.19 -0.18 -1.10 0.00 0.00 0.00 174.94 174.15 1y4y s GLN 34 N 0.14 1.31 -0.06 2.79 1.11 0.19 -1.17 119.66 123.97 1y4y s GLN 34 Ca -0.02 -1.45 0.03 0.00 0.01 0.00 0.00 55.36 53.94 1y4y s GLN 34 Cb -0.07 -1.34 0.01 0.00 -1.01 0.00 0.00 33.01 30.60 1y4y s GLN 34 CO -0.00 0.27 -0.15 -1.17 0.01 0.00 0.00 175.29 174.25 1y4y s LEU 35 N -2.77 1.78 -0.04 2.90 2.96 0.08 -1.89 118.68 121.69 1y4y s LEU 35 Ca 0.17 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 1y4y s LEU 35 Cb -0.05 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1y4y s LEU 35 CO 0.07 0.08 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.26 1y4y s GLU 36 N 0.43 2.14 -0.11 1.98 -6.30 0.91 -0.89 118.70 116.86 1y4y s GLU 36 Ca -0.11 -0.81 -0.05 0.00 -2.50 0.00 0.00 54.97 51.50 1y4y s GLU 36 Cb -0.14 -1.89 0.05 0.00 0.00 0.00 0.00 34.13 32.14 1y4y s GLU 36 CO 0.04 0.38 0.24 -0.47 0.02 0.00 0.00 175.26 175.47 1y4y s TYR 37 N -0.24 -0.34 -1.45 5.30 5.04 -0.64 -1.22 117.35 123.80 1y4y s TYR 37 Ca 0.00 0.80 -0.08 0.00 -2.44 0.00 0.00 57.07 55.35 1y4y s TYR 37 Cb -0.12 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.24 1y4y s TYR 37 CO 0.02 -0.25 0.92 -1.71 -1.34 0.00 0.00 175.55 173.18 1y4y n ASN 38 N 4.46 -5.95 0.00 4.32 2.85 -1.26 -2.37 115.26 117.31 1y4y n ASN 38 Ca -0.21 -0.47 0.00 0.00 -0.11 0.00 0.00 54.58 53.78 1y4y n ASN 38 Cb 0.52 -4.74 0.00 0.00 1.24 0.00 0.00 39.78 36.80 1y4y n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1y4y n GLY 39 N -1.75 0.82 3.33 8.20 0.00 -1.26 -5.04 105.19 109.49 1y4y n GLY 39 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1y4y n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y4y s LYS 40 N -0.26 3.16 -0.08 1.61 2.20 -1.00 -5.11 119.74 120.27 1y4y s LYS 40 Ca 0.00 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 1y4y s LYS 40 Cb 0.00 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.82 1y4y s LYS 40 CO 0.00 0.25 -0.14 0.99 -0.36 0.00 0.00 175.35 176.08 1y4y s THR 41 N 0.23 3.00 0.12 3.43 2.01 -1.26 -1.63 115.64 121.53 1y4y s THR 41 Ca -0.11 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1y4y s THR 41 Cb -0.16 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1y4y s THR 41 CO 0.06 0.57 -0.12 0.68 -0.69 0.00 0.00 174.62 175.12 1y4y s VAL 42 N -0.30 1.14 -0.07 3.82 -7.23 -0.06 -4.98 120.40 112.72 1y4y s VAL 42 Ca 0.02 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 1y4y s VAL 42 Cb -0.13 -1.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.25 1y4y s VAL 42 CO 0.03 -0.53 1.90 0.21 -0.31 0.00 0.00 175.10 176.40 1y4y s ASN 43 N -2.56 6.29 0.23 4.85 3.84 -1.26 -0.74 114.94 125.60 1y4y s ASN 43 Ca 0.09 2.29 0.23 0.00 0.21 0.00 0.00 52.86 55.67 1y4y s ASN 43 Cb -0.03 -2.53 0.94 0.00 -0.55 0.00 0.00 41.25 39.09 1y4y s ASN 43 CO 0.01 -1.23 1.70 -0.11 -2.79 0.00 0.00 177.10 174.69 1y4y n LEU 44 N 8.38 0.63 -0.11 3.21 7.94 -0.31 -1.51 117.00 135.22 1y4y n LEU 44 Ca 0.21 0.65 0.15 0.00 -1.11 0.00 0.00 56.01 55.91 1y4y n LEU 44 Cb 0.43 -0.55 0.77 0.00 0.53 0.00 0.00 43.42 44.60 1y4y n LEU 44 CO 0.66 -0.50 1.00 0.29 -1.11 0.00 0.00 177.39 177.73 1y4y n LYS 45 N -2.19 0.98 -3.79 1.96 5.02 -1.26 -4.40 118.16 114.48 1y4y n LYS 45 Ca 0.03 -0.23 -0.36 0.00 -2.02 0.00 0.00 58.31 55.73 1y4y n LYS 45 Cb 0.24 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 1y4y n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y4y s SER 46 N -2.18 5.21 0.33 4.39 0.15 -0.57 -4.99 113.70 116.05 1y4y s SER 46 Ca 0.39 -1.81 0.01 0.00 0.70 0.00 0.00 55.95 55.25 1y4y s SER 46 Cb 0.21 -1.82 0.58 0.00 -1.71 0.00 0.00 66.02 63.28 1y4y s SER 46 CO 0.40 -0.48 1.97 -0.29 1.20 0.00 0.00 173.24 176.04 1y4y h ILE 47 N 6.36 1.18 -0.39 6.45 6.09 -1.84 -2.25 117.51 133.11 1y4y h ILE 47 Ca -0.16 -0.41 0.06 0.00 -1.37 0.00 0.00 64.86 62.99 1y4y h ILE 47 Cb 1.05 0.30 -0.06 0.00 0.47 0.00 0.00 36.82 38.59 1y4y h ILE 47 CO 0.66 0.19 0.06 -0.03 -3.07 0.00 0.00 178.15 175.96 1y4y h MET 48 N 0.86 0.18 -0.64 2.19 4.05 -1.94 0.19 114.93 119.82 1y4y h MET 48 Ca 0.23 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 1y4y h MET 48 Cb -0.02 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 1y4y h MET 48 CO -0.04 0.12 0.24 0.78 0.23 0.00 0.00 176.91 178.23 1y4y h GLY 49 N 0.18 1.04 0.90 1.39 0.00 -1.78 -0.39 103.07 104.42 1y4y h GLY 49 Ca 0.19 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1y4y h GLY 49 CO -0.27 0.55 0.00 -2.08 0.00 0.00 0.00 176.54 174.74 1y4y h VAL 50 N 0.90 1.08 -0.13 4.60 2.07 -0.79 -2.26 116.25 121.71 1y4y h VAL 50 Ca 0.21 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1y4y h VAL 50 Cb 0.24 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1y4y h VAL 50 CO -0.01 0.06 -0.02 0.24 0.02 0.00 0.00 177.57 177.86 1y4y h MET 51 N -0.10 0.19 0.00 1.57 2.86 -0.51 -2.40 114.93 116.54 1y4y h MET 51 Ca 0.00 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1y4y h MET 51 Cb 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1y4y h MET 51 CO -0.00 0.23 -0.09 0.66 1.06 0.00 0.00 176.91 178.77 1y4y h SER 52 N 0.19 0.00 0.85 1.22 4.64 -0.48 -2.45 113.55 117.52 1y4y h SER 52 Ca 0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1y4y h SER 52 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1y4y h SER 52 CO 0.01 0.09 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.78 1y4y h LEU 53 N 0.00 0.00 -1.76 5.97 3.38 -1.15 -3.48 115.31 118.27 1y4y h LEU 53 Ca -0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1y4y h LEU 53 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1y4y h LEU 53 CO 0.01 0.21 -0.84 0.61 0.09 0.00 0.00 178.44 178.51 1y4y n GLY 54 N 0.04 -0.28 3.65 0.83 0.00 -0.92 -4.86 105.19 103.65 1y4y n GLY 54 Ca -0.00 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1y4y n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4y s ILE 55 N -3.73 3.99 0.51 -0.61 1.01 -1.26 -4.98 121.20 116.13 1y4y s ILE 55 Ca 0.05 1.18 0.02 0.00 0.00 0.00 0.00 60.65 61.90 1y4y s ILE 55 Cb -0.02 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1y4y s ILE 55 CO 0.84 -0.17 0.72 -2.16 0.00 0.00 0.00 174.94 174.17 1y4y s PRO 56 N 3.87 2.67 0.27 2.79 0.04 -1.26 -1.14 135.00 142.23 1y4y s PRO 56 Ca 0.62 -0.82 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 1y4y s PRO 56 Cb -0.25 -2.55 -0.14 0.00 0.04 0.00 0.00 34.50 31.60 1y4y s PRO 56 CO 0.22 -0.57 1.00 1.17 0.04 0.00 0.00 177.00 178.86 1y4y n LYS 57 N -2.21 1.25 -0.34 4.56 4.81 -1.25 -2.29 118.16 122.68 1y4y n LYS 57 Ca 0.07 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1y4y n LYS 57 Cb 0.59 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1y4y n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y4y n GLY 58 N 1.39 1.87 3.77 3.14 0.00 -0.08 -4.99 105.19 110.29 1y4y n GLY 58 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1y4y n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4y s ALA 59 N -3.18 3.19 -0.14 4.61 0.00 -0.97 -4.67 121.76 120.59 1y4y s ALA 59 Ca 0.00 1.34 -0.21 0.00 0.00 0.00 0.00 51.96 53.10 1y4y s ALA 59 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1y4y s ALA 59 CO 0.00 -1.05 0.61 0.99 0.00 0.00 0.00 175.76 176.31 1y4y s THR 60 N -1.25 5.07 0.19 0.00 2.01 -1.26 -0.73 115.64 119.68 1y4y s THR 60 Ca 0.61 1.20 0.09 0.00 0.31 0.00 0.00 61.69 63.90 1y4y s THR 60 Cb -0.41 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1y4y s THR 60 CO 0.52 0.20 -0.18 0.27 -0.69 0.00 0.00 174.62 174.74 1y4y s ILE 61 N 1.32 1.92 -0.05 1.82 -4.36 -0.48 -4.36 121.20 116.99 1y4y s ILE 61 Ca 0.30 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 1y4y s ILE 61 Cb -0.16 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.59 1y4y s ILE 61 CO 0.12 -0.40 -0.08 -0.75 0.24 0.00 0.00 174.94 174.08 1y4y s LYS 62 N -3.14 1.19 -0.15 0.37 2.20 -0.36 -0.56 119.74 119.29 1y4y s LYS 62 Ca 0.20 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1y4y s LYS 62 Cb -0.04 -1.08 -0.03 0.00 -1.51 0.00 0.00 37.83 35.17 1y4y s LYS 62 CO 0.08 -0.04 -0.05 0.42 -0.36 0.00 0.00 175.35 175.40 1y4y s ILE 63 N 0.84 3.76 0.08 5.43 1.01 -0.37 -0.07 121.20 131.89 1y4y s ILE 63 Ca -0.12 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.21 1y4y s ILE 63 Cb -0.15 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1y4y s ILE 63 CO 0.01 0.50 -0.23 0.42 0.00 0.00 0.00 174.94 175.64 1y4y s THR 64 N 0.38 1.87 -0.01 2.92 -4.23 -0.79 -1.59 115.64 114.19 1y4y s THR 64 Ca -0.05 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1y4y s THR 64 Cb -0.14 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1y4y s THR 64 CO 0.03 0.12 0.06 0.00 -0.54 0.00 0.00 174.62 174.29 1y4y s ALA 65 N -0.97 -0.13 -0.08 3.99 0.00 -0.17 -0.64 121.76 123.77 1y4y s ALA 65 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 1y4y s ALA 65 Cb -0.10 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1y4y s ALA 65 CO 0.03 -0.07 0.03 -1.21 0.00 0.00 0.00 175.76 174.54 1y4y s GLU 66 N -0.36 0.37 0.00 0.00 8.01 -0.39 -0.31 118.70 126.02 1y4y s GLU 66 Ca -0.04 0.12 0.00 0.00 0.01 0.00 0.00 54.97 55.06 1y4y s GLU 66 Cb -0.03 -1.01 0.00 0.00 -4.31 0.00 0.00 34.13 28.79 1y4y s GLU 66 CO 0.00 -0.37 0.00 0.41 0.01 0.00 0.00 175.26 175.31 1y4y n GLY 67 N 5.19 1.38 0.26 -1.39 0.00 -1.26 -1.70 105.19 107.67 1y4y n GLY 67 Ca -0.06 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.57 1y4y n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4y h ALA 68 N 0.00 1.52 -0.61 4.61 0.00 -1.99 -2.16 119.26 120.62 1y4y h ALA 68 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1y4y h ALA 68 Cb 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.55 1y4y h ALA 68 CO 0.00 0.35 0.20 -0.40 0.00 0.00 0.00 179.25 179.40 1y4y n ASP 69 N -4.32 4.11 -0.29 0.00 5.68 -1.26 -4.74 116.55 115.73 1y4y n ASP 69 Ca 0.00 -3.34 -0.01 0.00 -0.50 0.00 0.00 54.79 50.94 1y4y n ASP 69 Cb 0.22 -0.70 0.11 0.00 -1.14 0.00 0.00 41.12 39.61 1y4y n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y4y h ALA 70 N 2.02 1.07 -0.68 2.12 0.00 -1.73 -0.06 119.26 122.00 1y4y h ALA 70 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1y4y h ALA 70 Cb 2.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1y4y h ALA 70 CO 0.63 0.27 0.33 0.00 0.00 0.00 0.00 179.25 180.47 1y4y h ALA 71 N 1.36 0.88 -0.54 0.00 0.00 -1.85 -0.22 119.26 118.89 1y4y h ALA 71 Ca 0.33 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1y4y h ALA 71 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1y4y h ALA 71 CO -0.14 0.45 -0.08 0.93 0.00 0.00 0.00 179.25 180.41 1y4y h GLU 72 N 0.95 0.99 -0.05 0.00 3.07 -1.74 -1.28 114.58 116.51 1y4y h GLU 72 Ca 0.23 -0.34 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1y4y h GLU 72 Cb 0.12 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1y4y h GLU 72 CO -0.03 1.02 -0.02 0.00 -1.40 0.00 0.00 179.01 178.57 1y4y h ALA 73 N 1.01 0.02 -0.72 3.43 0.00 -0.80 -1.05 119.26 121.15 1y4y h ALA 73 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1y4y h ALA 73 Cb 0.62 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1y4y h ALA 73 CO 0.04 -0.50 0.36 0.52 0.00 0.00 0.00 179.25 179.67 1y4y h MET 74 N -0.02 1.02 -0.37 0.00 2.86 -0.76 -0.09 114.93 117.57 1y4y h MET 74 Ca 0.03 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 1y4y h MET 74 Cb 0.06 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 1y4y h MET 74 CO -0.07 0.78 -0.42 0.00 1.06 0.00 0.00 176.91 178.26 1y4y h ALA 75 N 1.38 0.55 -0.28 6.32 0.00 -1.01 -1.69 119.26 124.52 1y4y h ALA 75 Ca 0.25 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1y4y h ALA 75 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1y4y h ALA 75 CO -0.04 0.68 -0.30 0.00 0.00 0.00 0.00 179.25 179.59 1y4y h ALA 76 N 0.76 0.95 -0.43 0.00 0.00 -0.80 -2.12 119.26 117.62 1y4y h ALA 76 Ca 0.05 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1y4y h ALA 76 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1y4y h ALA 76 CO 0.10 0.61 -0.28 -0.07 0.00 0.00 0.00 179.25 179.62 1y4y h LEU 77 N 0.50 0.98 -0.44 0.00 3.38 -0.94 -0.37 115.31 118.42 1y4y h LEU 77 Ca 0.06 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1y4y h LEU 77 Cb 0.78 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1y4y h LEU 77 CO 0.06 1.20 0.18 0.74 0.09 0.00 0.00 178.44 180.71 1y4y h THR 78 N 0.77 0.89 -0.32 0.22 2.02 -1.19 0.31 112.91 115.61 1y4y h THR 78 Ca 0.09 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1y4y h THR 78 Cb 0.86 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1y4y h THR 78 CO 0.08 0.07 0.15 0.44 0.37 0.00 0.00 175.52 176.62 1y4y h ASP 79 N 0.36 0.21 -0.54 4.18 3.32 -1.15 -1.77 116.42 121.03 1y4y h ASP 79 Ca 0.20 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1y4y h ASP 79 Cb 0.17 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1y4y h ASP 79 CO -0.19 0.16 0.20 0.74 -1.72 0.00 0.00 179.24 178.43 1y4y h THR 80 N 0.31 1.22 -0.76 0.35 2.02 -0.72 -0.65 112.91 114.68 1y4y h THR 80 Ca 0.13 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1y4y h THR 80 Cb 0.06 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1y4y h THR 80 CO -0.10 0.27 0.48 -0.07 0.37 0.00 0.00 175.52 176.47 1y4y h LEU 81 N 0.73 0.88 0.09 2.58 3.38 -0.72 -1.15 115.31 121.11 1y4y h LEU 81 Ca 0.18 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1y4y h LEU 81 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1y4y h LEU 81 CO -0.01 0.66 -0.04 0.00 0.09 0.00 0.00 178.44 179.13 1y4y h ALA 82 N 1.50 -0.12 0.00 1.53 0.00 -1.15 0.12 119.26 121.14 1y4y h ALA 82 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1y4y h ALA 82 Cb -0.09 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1y4y h ALA 82 CO -0.06 -0.31 -0.05 0.87 0.00 0.00 0.00 179.25 179.71 1y4y h LYS 83 N -0.64 0.00 -0.02 0.00 1.57 -0.93 -0.28 116.57 116.27 1y4y h LYS 83 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1y4y h LYS 83 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1y4y h LYS 83 CO 0.02 0.05 -0.04 0.39 -0.57 0.00 0.00 179.45 179.30 1y4y n GLU 84 N -3.98 1.65 -1.95 3.15 -0.58 -0.45 -4.92 120.64 113.57 1y4y n GLU 84 Ca -0.03 -1.05 -0.18 0.00 -0.42 0.00 0.00 57.16 55.49 1y4y n GLU 84 Cb 0.14 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 1y4y n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y4y n GLY 85 N 1.22 0.64 0.08 0.62 0.00 -0.12 -4.92 105.19 102.72 1y4y n GLY 85 Ca 0.17 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1y4y n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y4y h LEU 86 N 0.00 0.00 -7.46 0.99 3.38 -1.00 -3.10 115.31 108.13 1y4y h LEU 86 Ca -0.40 -0.76 0.08 0.00 0.09 0.00 0.00 57.88 56.89 1y4y h LEU 86 Cb 1.24 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 1y4y h LEU 86 CO 0.52 1.04 0.34 0.00 0.09 0.00 0.00 178.44 180.43 1y4y s ALA 87 N -2.30 -1.54 0.00 1.53 0.00 -0.87 -0.01 121.76 118.57 1y4y s ALA 87 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1y4y s ALA 87 Cb -0.01 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1y4y s ALA 87 CO 0.58 -0.90 0.00 -0.85 0.00 0.00 0.00 175.76 174.59