#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y51 s GLU 3 N 0.00 0.26 -0.17 0.00 -6.30 -1.26 -0.93 118.70 110.30 1y51 s GLU 3 Ca 0.00 0.07 -0.16 0.00 -2.50 0.00 0.00 54.97 52.38 1y51 s GLU 3 Cb 0.00 0.12 0.05 0.00 0.00 0.00 0.00 34.13 34.29 1y51 s GLU 3 CO 0.00 -0.04 0.46 0.21 0.02 0.00 0.00 175.26 175.90 1y51 s LYS 4 N -0.28 0.53 -0.10 4.30 2.20 -0.28 -5.01 119.74 121.10 1y51 s LYS 4 Ca -0.04 0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 56.18 1y51 s LYS 4 Cb -0.03 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 1y51 s LYS 4 CO 0.01 -0.07 0.06 0.99 -0.36 0.00 0.00 175.35 175.98 1y51 s THR 5 N 0.30 4.81 0.14 3.43 2.01 -1.26 -1.07 115.64 123.99 1y51 s THR 5 Ca -0.00 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1y51 s THR 5 Cb -0.03 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1y51 s THR 5 CO -0.00 0.61 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.07 1y51 s PHE 6 N -0.90 1.27 -0.11 4.92 0.40 0.14 -4.99 117.98 118.70 1y51 s PHE 6 Ca 0.14 -0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 55.75 1y51 s PHE 6 Cb -0.12 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 1y51 s PHE 6 CO 0.03 0.09 -0.09 0.21 0.70 0.00 0.00 175.22 176.15 1y51 s LYS 7 N -3.48 3.19 -0.08 0.44 2.47 -0.28 -1.47 119.74 120.53 1y51 s LYS 7 Ca 0.14 -0.61 -0.28 0.00 -1.56 0.00 0.00 55.97 53.66 1y51 s LYS 7 Cb 0.01 -2.66 -0.02 0.00 -1.46 0.00 0.00 37.83 33.70 1y51 s LYS 7 CO 0.01 0.38 0.94 0.08 0.16 0.00 0.00 175.35 176.92 1y51 s VAL 8 N -0.07 4.85 -0.37 4.02 1.01 0.07 -1.72 120.40 128.20 1y51 s VAL 8 Ca -0.01 1.91 0.03 0.00 0.00 0.00 0.00 61.98 63.92 1y51 s VAL 8 Cb -0.14 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.00 1y51 s VAL 8 CO 0.03 0.08 0.49 1.33 0.00 0.00 0.00 175.10 177.03 1y51 n VAL 9 N 4.32 0.00 -2.23 2.92 0.24 0.83 -2.36 118.33 122.06 1y51 n VAL 9 Ca 0.06 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 1y51 n VAL 9 Cb 0.50 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 1y51 n VAL 9 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1y51 s SER 10 N -0.55 6.89 0.38 -1.34 0.15 -1.18 -4.93 113.70 113.12 1y51 s SER 10 Ca 0.03 2.28 0.14 0.00 0.70 0.00 0.00 55.95 59.11 1y51 s SER 10 Cb 0.03 -2.59 0.98 0.00 -1.71 0.00 0.00 66.02 62.73 1y51 s SER 10 CO 0.07 -0.59 1.83 0.44 1.20 0.00 0.00 173.24 176.19 1y51 h ASP 11 N 6.47 0.52 -0.40 5.45 3.45 -1.94 -2.60 116.42 127.37 1y51 h ASP 11 Ca -0.43 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.09 1y51 h ASP 11 Cb 1.21 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1y51 h ASP 11 CO 0.83 0.20 0.00 -1.54 -1.57 0.00 0.00 179.24 177.16 1y51 n SER 12 N -4.58 3.42 0.00 6.45 3.41 -1.26 -4.57 113.62 116.48 1y51 n SER 12 Ca 0.21 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1y51 n SER 12 Cb 0.67 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1y51 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y51 n GLY 13 N 1.41 -0.63 3.25 5.00 0.00 -0.98 -4.62 105.19 108.62 1y51 n GLY 13 Ca 0.19 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1y51 n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y51 s ILE 14 N 0.00 3.61 0.36 -0.61 1.01 -0.57 -4.74 121.20 120.26 1y51 s ILE 14 Ca 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 60.65 59.35 1y51 s ILE 14 Cb 0.00 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.44 1y51 s ILE 14 CO 0.00 -0.17 0.63 -1.00 0.00 0.00 0.00 174.94 174.40 1y51 s HIS 15 N 1.37 0.54 0.00 3.97 3.76 -1.26 -4.19 115.29 119.47 1y51 s HIS 15 Ca -0.02 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.89 1y51 s HIS 15 Cb -0.20 0.40 0.00 0.00 1.11 0.00 0.00 32.58 33.89 1y51 s HIS 15 CO 0.02 -1.34 0.00 0.00 -0.85 0.00 0.00 174.74 172.57 1y51 n ALA 16 N -0.54 0.00 -0.09 -1.40 0.00 -1.26 -1.78 120.51 115.44 1y51 n ALA 16 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 1y51 n ALA 16 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1y51 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y51 h ARG 17 N 0.00 0.27 -0.86 0.00 3.08 -2.01 -1.79 114.38 113.07 1y51 h ARG 17 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1y51 h ARG 17 Cb 0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1y51 h ARG 17 CO 0.00 0.18 0.52 -1.35 -1.07 0.00 0.00 179.97 178.25 1y51 h PRO 18 N 0.28 1.17 -0.80 0.04 0.11 -1.94 -0.72 132.00 130.15 1y51 h PRO 18 Ca 0.14 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1y51 h PRO 18 Cb 0.09 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 30.91 1y51 h PRO 18 CO -0.12 0.82 0.35 0.00 -0.21 0.00 0.00 178.00 178.84 1y51 h ALA 19 N 1.38 1.11 -0.51 -0.75 0.00 -0.98 -0.55 119.26 118.96 1y51 h ALA 19 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1y51 h ALA 19 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1y51 h ALA 19 CO -0.06 0.65 0.30 1.15 0.00 0.00 0.00 179.25 181.30 1y51 h THR 20 N 1.15 1.16 -0.58 0.00 2.02 -0.76 -0.97 112.91 114.94 1y51 h THR 20 Ca 0.27 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1y51 h THR 20 Cb 0.16 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1y51 h THR 20 CO -0.03 0.16 -0.00 0.40 0.37 0.00 0.00 175.52 176.43 1y51 h ILE 21 N 0.69 1.27 -0.35 3.11 2.04 -0.83 -1.25 117.51 122.18 1y51 h ILE 21 Ca 0.18 -1.13 0.06 0.00 1.00 0.00 0.00 64.86 64.97 1y51 h ILE 21 Cb -0.00 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1y51 h ILE 21 CO -0.03 0.41 0.04 0.25 0.00 0.00 0.00 178.15 178.82 1y51 h LEU 22 N 0.91 -0.05 -0.87 1.44 5.85 -0.80 -0.49 115.31 121.30 1y51 h LEU 22 Ca 0.16 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1y51 h LEU 22 Cb 0.55 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1y51 h LEU 22 CO 0.03 0.01 0.54 0.58 -0.34 0.00 0.00 178.44 179.26 1y51 h VAL 23 N 0.15 1.06 -0.25 1.05 2.07 -0.93 -1.30 116.25 118.10 1y51 h VAL 23 Ca 0.17 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 1y51 h VAL 23 Cb 0.21 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1y51 h VAL 23 CO -0.24 0.18 -0.40 1.56 0.02 0.00 0.00 177.57 178.69 1y51 h GLN 24 N 0.99 0.58 -0.55 1.57 4.20 -0.77 -1.10 115.11 120.02 1y51 h GLN 24 Ca 0.37 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1y51 h GLN 24 Cb 0.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1y51 h GLN 24 CO -0.17 0.88 0.35 1.15 -0.67 0.00 0.00 178.83 180.37 1y51 h THR 25 N 0.48 1.09 -0.75 -0.54 2.02 -0.74 -2.68 112.91 111.78 1y51 h THR 25 Ca 0.04 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1y51 h THR 25 Cb 0.90 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1y51 h THR 25 CO 0.08 0.13 0.36 0.00 0.37 0.00 0.00 175.52 176.45 1y51 h ALA 26 N 1.23 1.22 0.00 6.16 0.00 -0.78 -3.10 119.26 123.99 1y51 h ALA 26 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1y51 h ALA 26 Cb -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1y51 h ALA 26 CO -0.08 0.60 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 1y51 n SER 27 N -4.32 0.52 0.28 0.00 3.41 -0.46 -2.61 113.62 110.44 1y51 n SER 27 Ca 0.07 0.63 0.17 0.00 -0.26 0.00 0.00 58.87 59.48 1y51 n SER 27 Cb 0.14 -0.74 0.73 0.00 -0.26 0.00 0.00 64.21 64.08 1y51 n SER 27 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1y51 h LYS 28 N 0.00 0.00 -6.02 4.33 1.57 -1.49 -3.46 116.57 111.51 1y51 h LYS 28 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1y51 h LYS 28 Cb 0.34 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.53 1y51 h LYS 28 CO 0.00 0.02 -0.60 -1.58 -0.57 0.00 0.00 179.45 176.72 1y51 s TRP 29 N -3.74 3.22 0.39 -1.35 0.52 -1.07 -5.02 118.94 111.89 1y51 s TRP 29 Ca 0.00 0.19 0.10 0.00 0.02 0.00 0.00 56.10 56.42 1y51 s TRP 29 Cb 0.10 -1.74 0.81 0.00 -1.15 0.00 0.00 33.47 31.48 1y51 s TRP 29 CO 0.54 0.52 1.92 -0.91 0.02 0.00 0.00 176.95 179.04 1y51 h ASN 30 N 4.46 0.18 -3.75 2.95 2.35 -1.89 -3.45 115.58 116.43 1y51 h ASN 30 Ca -0.50 -0.04 -0.57 0.00 -0.55 0.00 0.00 56.30 54.65 1y51 h ASN 30 Cb 1.19 -0.05 0.16 0.00 0.05 0.00 0.00 38.32 39.67 1y51 h ASN 30 CO 0.59 0.35 0.29 -1.20 -1.65 0.00 0.00 177.43 175.81 1y51 n SER 31 N -4.27 1.36 -4.75 5.81 7.64 -1.26 -4.98 113.62 113.17 1y51 n SER 31 Ca -0.01 0.84 -0.40 0.00 1.01 0.00 0.00 58.87 60.31 1y51 n SER 31 Cb 0.28 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 61.97 1y51 n SER 31 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1y51 s GLU 32 N -2.91 4.80 -0.01 1.43 8.01 -0.61 -4.88 118.70 124.53 1y51 s GLU 32 Ca 0.77 1.53 0.01 0.00 0.01 0.00 0.00 54.97 57.29 1y51 s GLU 32 Cb -0.41 -3.28 0.01 0.00 -4.31 0.00 0.00 34.13 26.14 1y51 s GLU 32 CO 0.46 0.43 -0.02 0.42 0.01 0.00 0.00 175.26 176.56 1y51 s ILE 33 N -1.00 0.21 0.14 -1.63 1.01 -1.26 -0.96 121.20 117.71 1y51 s ILE 33 Ca 0.42 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 61.12 1y51 s ILE 33 Cb -0.27 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1y51 s ILE 33 CO 0.33 0.10 -0.19 -1.10 0.00 0.00 0.00 174.94 174.08 1y51 s GLN 34 N 0.39 1.21 -0.09 2.79 1.11 -0.12 -1.05 119.66 123.92 1y51 s GLN 34 Ca -0.04 -1.33 0.04 0.00 0.01 0.00 0.00 55.36 54.05 1y51 s GLN 34 Cb -0.07 -1.31 -0.00 0.00 -1.01 0.00 0.00 33.01 30.63 1y51 s GLN 34 CO -0.01 0.28 -0.22 -1.17 0.01 0.00 0.00 175.29 174.17 1y51 s LEU 35 N -2.44 2.02 -0.06 2.90 2.96 0.10 -1.83 118.68 122.33 1y51 s LEU 35 Ca 0.13 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1y51 s LEU 35 Cb -0.07 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1y51 s LEU 35 CO 0.06 0.16 -0.25 -0.70 -1.32 0.00 0.00 176.35 174.30 1y51 s GLU 36 N 0.27 2.60 -0.05 1.98 -6.30 0.42 -0.55 118.70 117.07 1y51 s GLU 36 Ca -0.15 -0.89 -0.02 0.00 -2.50 0.00 0.00 54.97 51.41 1y51 s GLU 36 Cb -0.17 -2.16 0.04 0.00 0.00 0.00 0.00 34.13 31.83 1y51 s GLU 36 CO 0.07 0.35 0.10 -0.47 0.02 0.00 0.00 175.26 175.33 1y51 s TYR 37 N -0.08 -0.09 -1.52 5.30 5.04 -0.52 -1.57 117.35 123.92 1y51 s TYR 37 Ca -0.06 0.35 -0.06 0.00 -2.44 0.00 0.00 57.07 54.86 1y51 s TYR 37 Cb -0.14 -0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.03 1y51 s TYR 37 CO 0.04 -0.14 0.63 -1.71 -1.34 0.00 0.00 175.55 173.03 1y51 n ASN 38 N 4.24 -5.85 0.00 4.32 4.05 -1.26 -2.01 115.26 118.75 1y51 n ASN 38 Ca -0.26 -0.32 0.00 0.00 0.45 0.00 0.00 54.58 54.45 1y51 n ASN 38 Cb 0.51 -4.73 0.00 0.00 1.23 0.00 0.00 39.78 36.79 1y51 n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1y51 n GLY 39 N -1.51 0.85 3.34 8.20 0.00 -1.26 -5.05 105.19 109.76 1y51 n GLY 39 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1y51 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y51 s LYS 40 N -0.65 3.34 -0.13 1.61 2.20 -0.85 -5.12 119.74 120.14 1y51 s LYS 40 Ca 0.00 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1y51 s LYS 40 Cb 0.00 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.66 1y51 s LYS 40 CO 0.00 0.15 -0.09 0.99 -0.36 0.00 0.00 175.35 176.04 1y51 s THR 41 N 0.50 3.45 0.21 3.43 2.01 -1.26 -1.43 115.64 122.54 1y51 s THR 41 Ca -0.09 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1y51 s THR 41 Cb -0.16 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1y51 s THR 41 CO 0.04 0.52 -0.15 0.68 -0.69 0.00 0.00 174.62 175.02 1y51 s VAL 42 N 0.16 1.82 -0.14 3.82 -7.23 0.28 -4.96 120.40 114.14 1y51 s VAL 42 Ca -0.05 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 57.64 1y51 s VAL 42 Cb -0.14 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1y51 s VAL 42 CO 0.04 -0.54 1.71 0.21 -0.31 0.00 0.00 175.10 176.21 1y51 s ASN 43 N -3.24 6.40 0.08 4.85 3.84 -1.26 -0.72 114.94 124.88 1y51 s ASN 43 Ca 0.22 1.94 0.15 0.00 0.21 0.00 0.00 52.86 55.38 1y51 s ASN 43 Cb -0.02 -2.53 0.63 0.00 -0.55 0.00 0.00 41.25 38.79 1y51 s ASN 43 CO 0.08 -1.19 1.46 -0.11 -2.79 0.00 0.00 177.10 174.54 1y51 n LEU 44 N 8.22 0.19 -0.49 3.21 7.94 -0.21 -2.07 117.00 133.79 1y51 n LEU 44 Ca 0.19 0.55 0.13 0.00 -1.11 0.00 0.00 56.01 55.78 1y51 n LEU 44 Cb 0.44 -0.54 0.49 0.00 0.53 0.00 0.00 43.42 44.34 1y51 n LEU 44 CO 0.64 -0.41 0.84 0.29 -1.11 0.00 0.00 177.39 177.65 1y51 n LYS 45 N -1.71 1.67 -3.92 1.96 5.02 -1.26 -4.40 118.16 115.51 1y51 n LYS 45 Ca 0.02 -0.98 -0.33 0.00 -2.02 0.00 0.00 58.31 55.00 1y51 n LYS 45 Cb 0.15 -1.45 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 1y51 n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y51 s SER 46 N -1.86 4.87 0.25 4.39 0.15 -0.88 -4.97 113.70 115.66 1y51 s SER 46 Ca 0.36 -2.30 -0.04 0.00 0.70 0.00 0.00 55.95 54.68 1y51 s SER 46 Cb 0.20 -1.70 0.30 0.00 -1.71 0.00 0.00 66.02 63.11 1y51 s SER 46 CO 0.31 -0.40 1.82 -0.29 1.20 0.00 0.00 173.24 175.88 1y51 h ILE 47 N 6.29 1.24 -0.51 6.45 6.09 -1.84 -2.55 117.51 132.68 1y51 h ILE 47 Ca -0.07 -0.79 0.10 0.00 -1.37 0.00 0.00 64.86 62.74 1y51 h ILE 47 Cb 1.00 0.47 -0.10 0.00 0.47 0.00 0.00 36.82 38.66 1y51 h ILE 47 CO 0.61 0.31 -0.20 -0.03 -3.07 0.00 0.00 178.15 175.77 1y51 h MET 48 N 0.98 -0.08 -0.23 2.19 4.05 -1.95 0.24 114.93 120.14 1y51 h MET 48 Ca 0.22 0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.52 1y51 h MET 48 Cb 0.23 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1y51 h MET 48 CO -0.01 -0.05 -0.40 0.78 0.23 0.00 0.00 176.91 177.45 1y51 h GLY 49 N -0.08 0.58 0.99 1.39 0.00 -1.81 -0.47 103.07 103.66 1y51 h GLY 49 Ca 0.24 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1y51 h GLY 49 CO -0.56 0.52 0.31 -2.08 0.00 0.00 0.00 176.54 174.72 1y51 h VAL 50 N 0.44 1.20 -0.62 4.60 2.07 -1.03 -2.81 116.25 120.10 1y51 h VAL 50 Ca 0.04 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1y51 h VAL 50 Cb 0.89 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1y51 h VAL 50 CO 0.08 0.22 0.03 0.24 0.02 0.00 0.00 177.57 178.15 1y51 h MET 51 N 0.79 1.07 0.00 1.57 2.86 -0.63 -2.91 114.93 117.67 1y51 h MET 51 Ca 0.20 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1y51 h MET 51 Cb 0.07 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1y51 h MET 51 CO -0.03 1.02 -0.00 0.77 1.06 0.00 0.00 176.91 179.73 1y51 h SER 52 N 0.98 0.00 0.27 1.22 0.02 -0.86 -2.07 113.55 113.11 1y51 h SER 52 Ca 0.18 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1y51 h SER 52 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1y51 h SER 52 CO 0.03 0.00 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.57 1y51 h LEU 53 N 0.00 0.00 -1.75 5.07 3.38 -1.29 -3.47 115.31 117.26 1y51 h LEU 53 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1y51 h LEU 53 Cb 0.38 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.18 1y51 h LEU 53 CO 0.00 0.08 -0.83 0.61 0.09 0.00 0.00 178.44 178.39 1y51 n GLY 54 N -0.85 -0.29 3.66 0.83 0.00 -0.78 -4.87 105.19 102.89 1y51 n GLY 54 Ca -0.02 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1y51 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y51 s ILE 55 N -3.67 3.85 0.55 -0.61 1.01 -1.26 -4.99 121.20 116.08 1y51 s ILE 55 Ca 0.03 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 1y51 s ILE 55 Cb -0.02 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1y51 s ILE 55 CO 0.82 -0.08 0.81 -2.16 0.00 0.00 0.00 174.94 174.33 1y51 s PRO 56 N 3.60 2.82 0.28 2.79 0.04 -1.26 -1.51 135.00 141.75 1y51 s PRO 56 Ca 0.65 -0.35 -0.28 0.00 0.04 0.00 0.00 61.00 61.07 1y51 s PRO 56 Cb -0.29 -2.40 -0.15 0.00 0.04 0.00 0.00 34.50 31.71 1y51 s PRO 56 CO 0.24 -0.62 0.91 1.17 0.04 0.00 0.00 177.00 178.74 1y51 n LYS 57 N -2.40 1.08 -0.96 4.56 4.81 -1.26 -2.67 118.16 121.32 1y51 n LYS 57 Ca 0.04 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1y51 n LYS 57 Cb 0.58 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.95 1y51 n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y51 n GLY 58 N 1.38 0.85 3.74 3.14 0.00 -0.99 -4.98 105.19 108.32 1y51 n GLY 58 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1y51 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y51 s ALA 59 N -3.50 2.38 -0.10 4.61 0.00 -1.09 -4.67 121.76 119.39 1y51 s ALA 59 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1y51 s ALA 59 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1y51 s ALA 59 CO 0.00 -1.49 0.25 0.99 0.00 0.00 0.00 175.76 175.51 1y51 s THR 60 N -1.65 5.32 0.17 0.00 2.01 -1.26 -0.75 115.64 119.48 1y51 s THR 60 Ca 0.78 0.46 0.07 0.00 0.31 0.00 0.00 61.69 63.31 1y51 s THR 60 Cb -0.32 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1y51 s THR 60 CO 0.38 0.56 -0.14 0.27 -0.69 0.00 0.00 174.62 175.00 1y51 s ILE 61 N -0.69 1.51 -0.07 1.82 -4.36 -0.54 -4.50 121.20 114.37 1y51 s ILE 61 Ca 0.17 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 1y51 s ILE 61 Cb -0.14 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.72 1y51 s ILE 61 CO 0.06 -0.57 -0.07 -0.75 0.24 0.00 0.00 174.94 173.85 1y51 s LYS 62 N -3.40 1.26 -0.11 0.37 2.20 -0.61 -0.69 119.74 118.77 1y51 s LYS 62 Ca 0.18 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.53 1y51 s LYS 62 Cb -0.01 -1.20 -0.03 0.00 -1.51 0.00 0.00 37.83 35.07 1y51 s LYS 62 CO 0.04 -0.10 0.01 0.42 -0.36 0.00 0.00 175.35 175.36 1y51 s ILE 63 N 1.08 4.34 0.05 5.43 1.01 -0.24 -0.44 121.20 132.43 1y51 s ILE 63 Ca -0.08 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1y51 s ILE 63 Cb -0.14 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1y51 s ILE 63 CO -0.01 0.58 -0.15 0.42 0.00 0.00 0.00 174.94 175.78 1y51 s THR 64 N -0.60 1.21 -0.01 2.92 -4.23 -0.76 -1.13 115.64 113.05 1y51 s THR 64 Ca 0.10 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1y51 s THR 64 Cb -0.12 -1.10 -0.00 0.00 1.34 0.00 0.00 72.50 72.62 1y51 s THR 64 CO 0.02 0.01 0.02 0.00 -0.54 0.00 0.00 174.62 174.13 1y51 s ALA 65 N -0.89 -0.05 -0.11 3.99 0.00 -0.10 -0.94 121.76 123.66 1y51 s ALA 65 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 1y51 s ALA 65 Cb -0.08 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1y51 s ALA 65 CO 0.02 -0.04 -0.02 -1.21 0.00 0.00 0.00 175.76 174.51 1y51 s GLU 66 N -0.21 0.92 0.00 0.00 8.01 -0.13 0.63 118.70 127.92 1y51 s GLU 66 Ca -0.02 -0.11 0.00 0.00 0.01 0.00 0.00 54.97 54.85 1y51 s GLU 66 Cb -0.02 -1.37 0.00 0.00 -4.31 0.00 0.00 34.13 28.43 1y51 s GLU 66 CO -0.00 -0.35 0.00 0.41 0.01 0.00 0.00 175.26 175.33 1y51 n GLY 67 N 5.06 0.12 0.17 -1.39 0.00 -1.26 -1.58 105.19 106.31 1y51 n GLY 67 Ca -0.09 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1y51 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y51 h ALA 68 N 0.00 1.00 -0.26 4.61 0.00 -1.99 -2.43 119.26 120.19 1y51 h ALA 68 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1y51 h ALA 68 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1y51 h ALA 68 CO 0.00 0.00 -0.12 -0.40 0.00 0.00 0.00 179.25 178.73 1y51 n ASP 69 N -2.68 2.56 -0.15 0.00 5.75 -1.26 -4.75 116.55 116.01 1y51 n ASP 69 Ca 0.04 -3.63 -0.01 0.00 -0.01 0.00 0.00 54.79 51.18 1y51 n ASP 69 Cb 0.45 -0.59 0.24 0.00 -1.03 0.00 0.00 41.12 40.18 1y51 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y51 h ALA 70 N 1.04 1.37 -0.66 2.12 0.00 -1.79 -1.19 119.26 120.16 1y51 h ALA 70 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1y51 h ALA 70 Cb 1.48 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1y51 h ALA 70 CO 0.28 0.50 0.18 0.00 0.00 0.00 0.00 179.25 180.21 1y51 h ALA 71 N 1.46 1.09 -0.49 0.00 0.00 -1.85 -1.03 119.26 118.45 1y51 h ALA 71 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1y51 h ALA 71 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1y51 h ALA 71 CO -0.03 0.62 0.10 0.93 0.00 0.00 0.00 179.25 180.86 1y51 h GLU 72 N 0.97 0.80 -0.54 0.00 3.07 -1.82 -1.66 114.58 115.41 1y51 h GLU 72 Ca 0.21 -0.20 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1y51 h GLU 72 Cb 0.31 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1y51 h GLU 72 CO -0.00 0.79 0.33 0.00 -1.40 0.00 0.00 179.01 178.72 1y51 h ALA 73 N 0.98 0.69 -0.32 3.43 0.00 -0.93 -0.19 119.26 122.92 1y51 h ALA 73 Ca 0.15 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1y51 h ALA 73 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y51 h ALA 73 CO 0.01 0.06 -0.45 1.98 0.00 0.00 0.00 179.25 180.84 1y51 h MET 74 N 0.66 0.84 -0.62 0.00 -1.53 -0.95 0.23 114.93 113.56 1y51 h MET 74 Ca 0.21 -0.47 -0.06 0.00 -3.44 0.00 0.00 59.70 55.94 1y51 h MET 74 Cb -0.01 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.05 1y51 h MET 74 CO -0.08 1.11 0.15 0.00 0.14 0.00 0.00 176.91 178.23 1y51 h ALA 75 N 0.81 0.82 -0.46 0.39 0.00 -1.16 -0.20 119.26 119.46 1y51 h ALA 75 Ca 0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1y51 h ALA 75 Cb 1.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1y51 h ALA 75 CO 0.10 0.53 -0.13 0.00 0.00 0.00 0.00 179.25 179.75 1y51 h ALA 76 N 1.05 0.89 -0.34 0.00 0.00 -0.68 -1.73 119.26 118.45 1y51 h ALA 76 Ca 0.19 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1y51 h ALA 76 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1y51 h ALA 76 CO 0.00 0.63 -0.42 -0.07 0.00 0.00 0.00 179.25 179.39 1y51 h LEU 77 N 0.77 0.91 -0.61 0.00 3.38 -0.82 -0.76 115.31 118.18 1y51 h LEU 77 Ca 0.12 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1y51 h LEU 77 Cb 0.65 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1y51 h LEU 77 CO 0.05 1.20 0.37 0.74 0.09 0.00 0.00 178.44 180.89 1y51 h THR 78 N 0.68 1.07 -0.48 0.22 2.02 -0.86 -0.13 112.91 115.44 1y51 h THR 78 Ca 0.05 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 1y51 h THR 78 Cb 1.00 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1y51 h THR 78 CO 0.10 0.13 0.07 0.44 0.37 0.00 0.00 175.52 176.63 1y51 h ASP 79 N 0.73 0.76 -0.35 4.18 3.32 -0.93 -1.61 116.42 122.52 1y51 h ASP 79 Ca 0.25 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1y51 h ASP 79 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1y51 h ASP 79 CO -0.11 0.83 -0.11 0.74 -1.72 0.00 0.00 179.24 178.88 1y51 h THR 80 N 0.67 1.28 -0.98 0.35 2.02 -0.88 0.37 112.91 115.75 1y51 h THR 80 Ca 0.14 -1.19 0.06 0.00 0.77 0.00 0.00 66.41 66.20 1y51 h THR 80 Cb 0.40 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1y51 h THR 80 CO 0.01 0.39 0.63 -0.07 0.37 0.00 0.00 175.52 176.86 1y51 h LEU 81 N 0.48 1.01 0.05 2.58 3.38 -0.90 -0.68 115.31 121.23 1y51 h LEU 81 Ca 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1y51 h LEU 81 Cb 0.63 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1y51 h LEU 81 CO 0.04 0.65 -0.02 0.00 0.09 0.00 0.00 178.44 179.19 1y51 h ALA 82 N 1.47 -0.07 0.00 1.53 0.00 -1.06 0.15 119.26 121.28 1y51 h ALA 82 Ca 0.42 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1y51 h ALA 82 Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1y51 h ALA 82 CO -0.16 -0.32 -0.20 0.87 0.00 0.00 0.00 179.25 179.44 1y51 h LYS 83 N -0.51 0.00 -0.21 0.00 1.57 -0.63 -1.59 116.57 115.19 1y51 h LYS 83 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1y51 h LYS 83 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1y51 h LYS 83 CO 0.01 0.20 0.00 0.39 -0.57 0.00 0.00 179.45 179.48 1y51 n GLU 84 N -3.93 2.12 -2.14 3.15 -0.58 -0.29 -4.95 120.64 114.02 1y51 n GLU 84 Ca -0.02 -1.67 -0.15 0.00 -0.42 0.00 0.00 57.16 54.91 1y51 n GLU 84 Cb 0.28 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1y51 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y51 n GLY 85 N 1.31 0.04 0.13 0.62 0.00 -0.60 -4.95 105.19 101.75 1y51 n GLY 85 Ca 0.17 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1y51 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y51 n LEU 86 N -2.05 2.47 -3.60 0.99 4.77 0.52 -3.15 117.00 116.95 1y51 n LEU 86 Ca -0.17 0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 1y51 n LEU 86 Cb 0.61 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1y51 n LEU 86 CO 0.21 0.72 0.74 0.00 -1.33 0.00 0.00 177.39 177.72 1y51 s ALA 87 N -2.50 -1.80 0.00 -1.18 0.00 -1.12 -0.12 121.76 115.04 1y51 s ALA 87 Ca -0.27 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1y51 s ALA 87 Cb 0.08 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1y51 s ALA 87 CO 0.68 -0.83 0.00 -0.85 0.00 0.00 0.00 175.76 174.76