#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 4.14 0.00 2.12 5.02 -1.26 -4.33 118.16 123.85 1n88 n LYS 2 Ca 0.00 -2.94 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 1n88 n LYS 2 Cb 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 35.03 32.27 1n88 n LYS 2 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1n88 n THR 3 N 2.65 0.00 1.53 -0.18 5.66 -1.26 -4.25 114.28 118.43 1n88 n THR 3 Ca 0.67 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.82 1n88 n THR 3 Cb 0.25 0.00 0.68 0.00 -1.55 0.00 0.00 70.33 69.71 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n88 n ALA 4 N -3.00 2.70 -1.00 1.79 0.00 -1.24 -3.86 120.51 115.90 1n88 n ALA 4 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1n88 n ALA 4 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N -0.86 0.00 -0.13 0.00 4.11 -1.26 -1.52 117.16 117.51 1n88 n TYR 5 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 58.03 1n88 n TYR 5 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.56 1n88 n TYR 5 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1n88 n ASP 6 N 0.00 -0.32 0.00 9.48 -0.08 -1.26 -2.90 116.55 121.47 1n88 n ASP 6 Ca 0.00 0.62 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 1n88 n ASP 6 Cb 0.00 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1n88 n VAL 7 N -4.00 0.00 -2.72 5.18 0.31 -1.26 -3.16 118.33 112.67 1n88 n VAL 7 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1n88 n VAL 7 Cb 0.08 -0.56 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n88 s ILE 8 N 0.00 4.31 0.00 2.52 1.01 -1.21 -1.77 121.20 126.06 1n88 s ILE 8 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1n88 s ILE 8 Cb 0.00 -4.95 0.00 0.00 0.01 0.00 0.00 42.46 37.52 1n88 s ILE 8 CO 0.00 -1.76 0.00 0.18 0.00 0.00 0.00 174.94 173.36 1n88 n LEU 9 N 7.76 0.00 -4.80 2.97 4.77 -0.57 -4.11 117.00 123.02 1n88 n LEU 9 Ca 0.31 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 1n88 n LEU 9 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1n88 n LEU 9 CO 0.61 0.00 -0.14 0.00 -1.33 0.00 0.00 177.39 176.53 1n88 s ALA 10 N -2.25 3.68 0.52 -1.18 0.00 -0.96 -4.72 121.76 116.84 1n88 s ALA 10 Ca 0.00 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 1n88 s ALA 10 Cb 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 22.06 1n88 s ALA 10 CO 0.00 0.03 0.98 -1.25 0.00 0.00 0.00 175.76 175.53 1n88 s PRO 11 N -3.92 3.91 -0.27 0.00 0.04 -1.26 0.24 135.00 133.73 1n88 s PRO 11 Ca 0.39 0.92 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 1n88 s PRO 11 Cb -0.05 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1n88 s PRO 11 CO 0.25 -0.29 -0.04 0.54 0.04 0.00 0.00 177.00 177.50 1n88 s VAL 12 N -2.67 2.89 -0.38 -0.36 0.11 -0.45 -4.38 120.40 115.15 1n88 s VAL 12 Ca 0.58 -1.22 -0.12 0.00 -2.93 0.00 0.00 61.98 58.29 1n88 s VAL 12 Cb -0.10 -2.57 0.02 0.00 -1.53 0.00 0.00 36.38 32.20 1n88 s VAL 12 CO 0.34 0.05 0.24 -0.76 -3.33 0.00 0.00 175.10 171.63 1n88 s LEU 13 N 1.28 4.82 0.11 2.54 2.01 -1.26 -4.62 118.68 123.55 1n88 s LEU 13 Ca -0.03 -0.90 -0.06 0.00 0.01 0.00 0.00 54.13 53.15 1n88 s LEU 13 Cb -0.18 -2.08 -0.02 0.00 0.01 0.00 0.00 46.19 43.92 1n88 s LEU 13 CO -0.03 -0.39 0.16 -0.44 1.01 0.00 0.00 176.35 176.66 1n88 s SER 14 N 1.61 0.19 0.07 2.29 0.01 -1.26 -4.97 113.70 111.64 1n88 s SER 14 Ca 0.03 -0.87 -0.15 0.00 1.31 0.00 0.00 55.95 56.27 1n88 s SER 14 Cb -0.19 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1n88 s SER 14 CO 0.08 -0.75 1.25 -0.33 0.41 0.00 0.00 173.24 173.90 1n88 h GLU 15 N 2.78 -0.09 0.00 12.44 5.08 -2.00 1.17 114.58 133.96 1n88 h GLU 15 Ca -0.34 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1n88 h GLU 15 Cb 1.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1n88 h GLU 15 CO 0.56 -0.06 0.00 1.17 -1.00 0.00 0.00 179.01 179.68 1n88 n LYS 16 N -4.01 0.14 -1.01 2.33 4.81 -1.26 -1.30 118.16 117.87 1n88 n LYS 16 Ca -0.00 0.60 -0.04 0.00 -0.87 0.00 0.00 58.31 57.99 1n88 n LYS 16 Cb 0.14 -1.93 0.32 0.00 0.02 0.00 0.00 35.03 33.58 1n88 n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n88 n ALA 17 N -1.77 4.50 0.00 3.14 0.00 0.39 -4.15 120.51 122.63 1n88 n ALA 17 Ca -0.01 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1n88 n ALA 17 Cb 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1n88 n ALA 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n88 n TYR 18 N -0.07 0.00 -0.04 0.00 4.01 -0.42 -4.27 117.16 116.37 1n88 n TYR 18 Ca 0.39 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 58.12 1n88 n TYR 18 Cb 1.37 0.35 0.27 0.00 -0.31 0.00 0.00 39.34 41.01 1n88 n TYR 18 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1n88 h ALA 19 N 0.00 1.33 0.06 -0.72 0.00 -1.76 1.17 119.26 119.35 1n88 h ALA 19 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 1n88 h ALA 19 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1n88 h ALA 19 CO 0.00 0.47 -1.75 0.78 0.00 0.00 0.00 179.25 178.75 1n88 h GLY 20 N 0.87 0.16 1.87 0.00 0.00 -1.83 -3.23 103.07 100.91 1n88 h GLY 20 Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1n88 h GLY 20 CO 0.00 0.35 0.00 0.33 0.00 0.00 0.00 176.54 177.22 1n88 n PHE 21 N -3.28 0.00 0.46 5.60 -0.00 -0.97 -2.49 117.46 116.78 1n88 n PHE 21 Ca -0.21 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.37 1n88 n PHE 21 Cb 1.05 -0.43 0.37 0.00 -0.00 0.00 0.00 39.48 40.46 1n88 n PHE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1n88 h ALA 22 N 2.71 1.00 -0.27 3.13 0.00 0.14 -3.12 119.26 122.84 1n88 h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n88 h ALA 22 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n88 h ALA 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1n88 n GLU 23 N -2.55 2.47 0.00 0.00 -0.58 -1.04 -4.77 120.64 114.17 1n88 n GLU 23 Ca 0.04 -1.33 0.00 0.00 -0.42 0.00 0.00 57.16 55.45 1n88 n GLU 23 Cb 0.43 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n88 n GLY 24 N 0.47 0.40 3.75 0.62 0.00 -1.19 -4.87 105.19 104.37 1n88 n GLY 24 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1n88 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 25 N -0.92 4.64 -0.21 1.61 1.02 -1.19 -3.08 119.74 121.62 1n88 s LYS 25 Ca 0.00 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.26 1n88 s LYS 25 Cb 0.00 -3.32 0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1n88 s LYS 25 CO 0.00 0.39 -0.05 0.71 -0.92 0.00 0.00 175.35 175.47 1n88 s TYR 26 N -0.54 2.09 -0.07 3.18 2.02 0.36 -4.05 117.35 120.34 1n88 s TYR 26 Ca 0.40 -1.47 -0.27 0.00 -0.37 0.00 0.00 57.07 55.36 1n88 s TYR 26 Cb -0.23 -1.47 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1n88 s TYR 26 CO 0.27 -0.71 0.89 0.99 -1.57 0.00 0.00 175.55 175.42 1n88 s THR 27 N 1.50 4.90 0.08 -0.71 2.01 -1.18 0.23 115.64 122.47 1n88 s THR 27 Ca -0.03 1.83 0.09 0.00 0.31 0.00 0.00 61.69 63.89 1n88 s THR 27 Cb -0.17 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 1n88 s THR 27 CO -0.07 0.13 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.40 1n88 s PHE 28 N 1.36 1.99 -0.19 4.92 0.08 0.63 -1.34 117.98 125.43 1n88 s PHE 28 Ca 0.45 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.86 1n88 s PHE 28 Cb -0.19 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1n88 s PHE 28 CO 0.21 0.18 0.84 -1.58 -0.10 0.00 0.00 175.22 174.77 1n88 s TRP 29 N -0.97 3.39 0.13 0.36 0.23 0.67 0.37 118.94 123.12 1n88 s TRP 29 Ca 0.09 1.24 -0.00 0.00 -2.03 0.00 0.00 56.10 55.40 1n88 s TRP 29 Cb -0.10 -3.03 -0.04 0.00 0.03 0.00 0.00 33.47 30.33 1n88 s TRP 29 CO 0.03 -0.29 0.02 0.14 0.96 0.00 0.00 176.95 177.82 1n88 s VAL 30 N 2.36 0.29 0.27 4.03 -7.23 0.17 -1.77 120.40 118.53 1n88 s VAL 30 Ca 0.38 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 1n88 s VAL 30 Cb -0.16 -1.97 -0.11 0.00 0.56 0.00 0.00 36.38 34.70 1n88 s VAL 30 CO 0.11 -0.57 1.58 -2.28 -0.31 0.00 0.00 175.10 173.63 1n88 s HIS 31 N -3.91 2.83 -0.79 2.82 2.46 -0.73 -2.10 115.29 115.87 1n88 s HIS 31 Ca 0.21 0.78 -0.26 0.00 0.47 0.00 0.00 55.06 56.26 1n88 s HIS 31 Cb 0.07 -4.02 -0.22 0.00 -0.13 0.00 0.00 32.58 28.28 1n88 s HIS 31 CO 0.00 -3.47 1.91 -0.35 -2.47 0.00 0.00 174.74 170.36 1n88 n PRO 32 N 2.47 0.68 0.00 2.88 -0.04 -1.26 -1.87 135.00 137.87 1n88 n PRO 32 Ca 0.09 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1n88 n PRO 32 Cb 0.38 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 1n88 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n88 n LYS 33 N 7.95 0.00 -1.38 0.54 2.85 -1.26 -5.06 118.16 121.79 1n88 n LYS 33 Ca 0.45 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.46 1n88 n LYS 33 Cb 0.45 0.00 -0.19 0.00 -0.65 0.00 0.00 35.03 34.63 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n88 n ALA 34 N 0.00 0.86 -1.52 0.58 0.00 -0.78 -4.75 120.51 114.90 1n88 n ALA 34 Ca 0.00 -0.63 -0.45 0.00 0.00 0.00 0.00 53.44 52.36 1n88 n ALA 34 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 1n88 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n88 n THR 35 N 5.54 1.98 -0.31 0.00 -2.24 -1.26 -4.33 114.28 113.66 1n88 n THR 35 Ca 0.62 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 1n88 n THR 35 Cb 0.10 -0.67 0.29 0.00 -2.10 0.00 0.00 70.33 67.96 1n88 n THR 35 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n88 h LYS 36 N 1.58 0.11 -0.14 -0.78 1.57 -1.95 0.77 116.57 117.73 1n88 h LYS 36 Ca -0.36 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1n88 h LYS 36 Cb 1.37 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1n88 h LYS 36 CO 0.59 0.07 0.08 1.15 -0.57 0.00 0.00 179.45 180.77 1n88 h THR 37 N 0.11 1.07 -0.59 -0.16 2.02 -1.96 -1.33 112.91 112.06 1n88 h THR 37 Ca 0.57 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.59 1n88 h THR 37 Cb 1.18 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 1n88 h THR 37 CO -0.76 0.07 0.35 -0.33 0.37 0.00 0.00 175.52 175.22 1n88 h GLU 38 N 0.15 0.67 -0.32 6.66 5.08 -0.00 0.97 114.58 127.79 1n88 h GLU 38 Ca 0.05 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1n88 h GLU 38 Cb 0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1n88 h GLU 38 CO -0.01 0.45 0.23 0.82 -1.00 0.00 0.00 179.01 179.49 1n88 h ILE 39 N 0.69 0.88 -0.14 3.13 2.04 0.22 0.57 117.51 124.91 1n88 h ILE 39 Ca 0.24 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 1n88 h ILE 39 Cb 0.04 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1n88 h ILE 39 CO -0.11 0.02 -0.01 0.50 0.00 0.00 0.00 178.15 178.55 1n88 h LYS 40 N 0.08 0.26 -0.06 2.37 3.64 0.32 -2.88 116.57 120.29 1n88 h LYS 40 Ca 0.15 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1n88 h LYS 40 Cb 0.49 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1n88 h LYS 40 CO -0.01 0.51 -0.74 -0.91 -2.27 0.00 0.00 179.45 176.03 1n88 h ASN 41 N -0.02 0.42 -0.06 4.20 2.35 -0.46 -2.24 115.58 119.77 1n88 h ASN 41 Ca 0.04 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1n88 h ASN 41 Cb 0.39 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1n88 h ASN 41 CO 0.01 1.01 -0.05 0.00 -1.65 0.00 0.00 177.43 176.75 1n88 h ALA 42 N 0.98 0.00 -0.10 -0.83 0.00 0.12 -0.32 119.26 119.12 1n88 h ALA 42 Ca -0.03 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1n88 h ALA 42 Cb 1.31 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1n88 h ALA 42 CO 0.12 -0.52 -0.74 -0.39 0.00 0.00 0.00 179.25 177.71 1n88 h VAL 43 N -0.06 1.35 -0.58 0.00 -1.51 -1.57 -1.93 116.25 111.95 1n88 h VAL 43 Ca 0.04 -2.10 0.05 0.00 -1.23 0.00 0.00 66.70 63.47 1n88 h VAL 43 Cb 0.12 2.08 -0.03 0.00 -2.13 0.00 0.00 31.29 31.32 1n88 h VAL 43 CO -0.09 0.64 0.39 -0.33 -1.23 0.00 0.00 177.57 176.94 1n88 h GLU 44 N 0.35 0.56 0.11 5.19 4.39 -1.08 1.46 114.58 125.56 1n88 h GLU 44 Ca -0.04 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 1n88 h GLU 44 Cb 1.33 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1n88 h GLU 44 CO 0.13 0.37 -0.70 1.79 -1.16 0.00 0.00 179.01 179.45 1n88 h THR 45 N 0.58 1.53 0.00 1.13 1.35 -0.94 -2.07 112.91 114.49 1n88 h THR 45 Ca 0.25 -2.44 -0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1n88 h THR 45 Cb 0.24 3.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1n88 h THR 45 CO -0.07 0.69 -0.03 0.00 -0.25 0.00 0.00 175.52 175.85 1n88 h ALA 46 N 0.11 0.00 0.00 6.62 0.00 -0.86 -3.34 119.26 121.80 1n88 h ALA 46 Ca -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1n88 h ALA 46 Cb 1.53 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1n88 h ALA 46 CO 0.13 0.03 -0.08 0.74 0.00 0.00 0.00 179.25 180.07 1n88 h PHE 47 N -1.00 0.00 -5.90 0.00 0.04 0.18 -3.47 116.94 106.79 1n88 h PHE 47 Ca -0.01 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.37 1n88 h PHE 47 Cb 0.34 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.59 1n88 h PHE 47 CO 0.08 0.08 -0.74 1.63 -0.60 0.00 0.00 178.31 178.76 1n88 n LYS 48 N -3.20 -6.72 -0.87 1.51 4.76 -0.78 -4.98 118.16 107.88 1n88 n LYS 48 Ca 0.01 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1n88 n LYS 48 Cb 0.37 -5.71 0.00 0.00 -1.84 0.00 0.00 35.03 27.85 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1n88 n VAL 49 N -4.59 0.00 -3.90 -0.18 3.14 -1.25 -5.04 118.33 106.51 1n88 n VAL 49 Ca -0.12 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.91 1n88 n VAL 49 Cb 0.60 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.25 1n88 n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1n88 s LYS 50 N -0.31 2.26 -0.22 1.45 2.36 -1.26 -4.70 119.74 119.33 1n88 s LYS 50 Ca 0.00 -1.42 -0.29 0.00 -2.55 0.00 0.00 55.97 51.70 1n88 s LYS 50 Cb 0.00 -3.24 0.00 0.00 -1.05 0.00 0.00 37.83 33.55 1n88 s LYS 50 CO 0.00 -0.73 1.14 0.08 1.55 0.00 0.00 175.35 177.39 1n88 s VAL 51 N 1.19 4.49 -2.45 4.02 1.01 -1.26 -3.06 120.40 124.35 1n88 s VAL 51 Ca -0.02 1.79 0.20 0.00 0.00 0.00 0.00 61.98 63.95 1n88 s VAL 51 Cb -0.20 -4.20 0.15 0.00 0.00 0.00 0.00 36.38 32.13 1n88 s VAL 51 CO -0.02 -0.21 1.12 0.55 0.00 0.00 0.00 175.10 176.54 1n88 n VAL 52 N 5.44 0.00 0.00 2.92 3.14 0.77 -4.85 118.33 125.75 1n88 n VAL 52 Ca 0.13 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1n88 n VAL 52 Cb 0.46 1.41 0.00 0.00 -1.06 0.00 0.00 33.84 34.64 1n88 n VAL 52 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1n88 n LYS 53 N 1.06 0.00 -4.10 1.45 -0.00 -1.03 -4.88 118.16 110.66 1n88 n LYS 53 Ca 0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.22 1n88 n LYS 53 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.36 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1n88 s VAL 54 N -1.16 0.54 -0.15 0.58 1.01 -1.25 0.22 120.40 120.19 1n88 s VAL 54 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1n88 s VAL 54 Cb 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.84 1n88 s VAL 54 CO 0.00 0.24 -0.03 0.21 0.00 0.00 0.00 175.10 175.52 1n88 s ASN 55 N 1.11 2.62 0.11 3.32 2.47 0.77 -4.88 114.94 120.46 1n88 s ASN 55 Ca -0.08 -0.59 0.09 0.00 0.42 0.00 0.00 52.86 52.70 1n88 s ASN 55 Cb -0.14 -0.77 -0.04 0.00 -1.45 0.00 0.00 41.25 38.85 1n88 s ASN 55 CO -0.01 -0.21 -0.18 0.28 -3.72 0.00 0.00 177.10 173.26 1n88 s THR 56 N 1.74 2.83 0.31 -5.21 -1.32 -1.25 0.27 115.64 113.00 1n88 s THR 56 Ca 0.01 -1.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.06 1n88 s THR 56 Cb -0.15 -2.28 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 1n88 s THR 56 CO -0.07 0.14 0.08 -1.48 -2.21 0.00 0.00 174.62 171.08 1n88 s LEU 57 N -2.03 1.96 -0.34 9.08 2.34 -0.12 -4.94 118.68 124.63 1n88 s LEU 57 Ca 0.17 -1.42 -0.29 0.00 0.06 0.00 0.00 54.13 52.66 1n88 s LEU 57 Cb -0.11 -0.20 0.02 0.00 -0.56 0.00 0.00 46.19 45.35 1n88 s LEU 57 CO 0.09 -0.69 1.07 -2.28 -1.06 0.00 0.00 176.35 173.48 1n88 s HIS 58 N -3.45 3.11 -0.04 3.48 5.65 -1.26 -2.37 115.29 120.40 1n88 s HIS 58 Ca 0.36 1.12 0.07 0.00 0.25 0.00 0.00 55.06 56.85 1n88 s HIS 58 Cb 0.08 -3.78 -0.02 0.00 -1.18 0.00 0.00 32.58 27.68 1n88 s HIS 58 CO 0.15 -0.83 -0.25 0.14 -0.65 0.00 0.00 174.74 173.30 1n88 s VAL 59 N 3.74 2.11 0.01 0.89 -7.23 -0.91 -4.94 120.40 114.07 1n88 s VAL 59 Ca 0.45 -1.06 -0.09 0.00 -1.81 0.00 0.00 61.98 59.48 1n88 s VAL 59 Cb -0.12 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.08 1n88 s VAL 59 CO 0.17 0.57 0.17 -0.13 -0.31 0.00 0.00 175.10 175.58 1n88 s ARG 60 N -0.36 0.56 -0.28 4.82 1.81 -1.26 -3.79 118.95 120.46 1n88 s ARG 60 Ca 0.02 -0.45 -0.29 0.00 -1.72 0.00 0.00 55.73 53.29 1n88 s ARG 60 Cb -0.12 0.23 -0.06 0.00 -0.45 0.00 0.00 34.95 34.55 1n88 s ARG 60 CO 0.02 -0.14 2.25 0.41 -0.68 0.00 0.00 175.30 177.15 1n88 n GLY 61 N 1.20 0.84 2.48 -3.53 0.00 -1.26 -4.83 105.19 100.08 1n88 n GLY 61 Ca -0.22 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1n88 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 62 N 8.72 3.83 -3.76 1.61 3.00 -1.26 -4.89 118.16 125.41 1n88 n LYS 62 Ca 0.33 -2.76 -0.37 0.00 -0.00 0.00 0.00 58.31 55.51 1n88 n LYS 62 Cb 0.43 -2.84 -0.13 0.00 0.00 0.00 0.00 35.03 32.49 1n88 n LYS 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1n88 s LYS 63 N 1.18 3.08 -0.64 1.64 2.20 -1.26 -4.74 119.74 121.21 1n88 s LYS 63 Ca 0.59 -0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 55.22 1n88 s LYS 63 Cb 0.17 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1n88 s LYS 63 CO -0.07 -0.45 0.64 1.17 -0.36 0.00 0.00 175.35 176.29 1n88 n LYS 64 N 4.87 -1.74 0.01 4.03 4.81 -1.26 -4.93 118.16 123.95 1n88 n LYS 64 Ca -0.14 1.42 0.00 0.00 -0.87 0.00 0.00 58.31 58.71 1n88 n LYS 64 Cb 0.48 -4.03 0.00 0.00 0.02 0.00 0.00 35.03 31.50 1n88 n LYS 64 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1n88 n ARG 65 N -1.37 0.00 -3.54 1.64 0.63 -1.26 -4.55 116.66 108.20 1n88 n ARG 65 Ca -0.08 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.62 1n88 n ARG 65 Cb 0.58 -0.09 0.05 0.00 0.45 0.00 0.00 32.46 33.45 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1n88 n LEU 66 N -2.65 -3.83 -4.16 6.15 4.32 -1.26 -2.17 117.00 113.40 1n88 n LEU 66 Ca 0.00 -0.86 -0.33 0.00 -0.02 0.00 0.00 56.01 54.80 1n88 n LEU 66 Cb 0.09 -2.74 -0.05 0.00 -1.62 0.00 0.00 43.42 39.09 1n88 n LEU 66 CO 0.00 0.34 -0.34 0.61 -1.22 0.00 0.00 177.39 176.77 1n88 n GLY 67 N -1.50 -0.33 2.69 -0.72 0.00 -1.26 -4.91 105.19 99.16 1n88 n GLY 67 Ca -0.15 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1n88 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 n ARG 68 N -4.63 0.61 -2.42 1.61 1.74 -0.92 -5.06 116.66 107.59 1n88 n ARG 68 Ca -0.27 -2.11 -0.39 0.00 -0.77 0.00 0.00 57.85 54.31 1n88 n ARG 68 Cb 0.66 2.12 0.02 0.00 -1.02 0.00 0.00 32.46 34.24 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n88 n TYR 69 N -0.45 2.96 -1.60 -1.55 9.36 -1.26 -4.72 117.16 119.91 1n88 n TYR 69 Ca -0.01 -2.60 -0.33 0.00 3.32 0.00 0.00 57.90 58.28 1n88 n TYR 69 Cb 0.46 -1.10 0.06 0.00 -0.63 0.00 0.00 39.34 38.13 1n88 n TYR 69 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1n88 n LEU 70 N -0.25 6.95 -3.99 2.98 4.77 -1.26 -4.96 117.00 121.23 1n88 n LEU 70 Ca 0.48 -4.49 0.05 0.00 -0.03 0.00 0.00 56.01 52.01 1n88 n LEU 70 Cb 0.28 -0.82 0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1n88 n LEU 70 CO 0.50 1.68 1.20 -0.83 -1.33 0.00 0.00 177.39 178.60 1n88 s GLY 71 N -2.22 -0.24 0.31 -0.72 0.00 -1.26 -4.74 107.32 98.45 1n88 s GLY 71 Ca 0.60 0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1n88 s GLY 71 CO -0.05 6.22 0.50 0.54 0.00 0.00 0.00 173.10 180.31 1n88 s LYS 72 N -2.01 3.49 -0.41 2.90 1.02 -1.26 -5.07 119.74 118.41 1n88 s LYS 72 Ca 0.31 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 1n88 s LYS 72 Cb 0.01 -2.72 0.11 0.00 -0.52 0.00 0.00 37.83 34.71 1n88 s LYS 72 CO -0.03 0.23 0.19 1.03 -0.92 0.00 0.00 175.35 175.84 1n88 s ARG 73 N -4.09 1.91 0.00 1.68 0.52 -1.26 -4.96 118.95 112.75 1n88 s ARG 73 Ca 0.39 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 1n88 s ARG 73 Cb -0.10 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.87 1n88 s ARG 73 CO 0.34 -1.05 0.00 -0.35 0.02 0.00 0.00 175.30 174.26 1n88 n PRO 74 N 4.40 0.19 -3.78 3.54 -0.04 -1.26 -5.00 135.00 133.06 1n88 n PRO 74 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 1n88 n PRO 74 Cb 0.41 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.76 1n88 n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n88 s ASP 75 N -1.34 5.02 -0.22 3.54 1.11 -1.26 -5.04 116.67 118.49 1n88 s ASP 75 Ca 0.00 -2.98 0.02 0.00 0.18 0.00 0.00 52.55 49.77 1n88 s ASP 75 Cb 0.00 -1.80 0.04 0.00 1.07 0.00 0.00 42.92 42.23 1n88 s ASP 75 CO 0.00 -0.31 -0.14 -0.60 1.18 0.00 0.00 175.17 175.30 1n88 s ARG 76 N -0.24 2.46 -0.01 8.23 3.52 -1.25 -4.51 118.95 127.16 1n88 s ARG 76 Ca 0.18 -1.07 0.07 0.00 -0.13 0.00 0.00 55.73 54.78 1n88 s ARG 76 Cb -0.21 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 1n88 s ARG 76 CO -0.03 -0.42 -0.22 0.21 -0.81 0.00 0.00 175.30 174.03 1n88 s LYS 77 N 1.22 1.74 -0.03 5.12 2.20 -0.89 -2.15 119.74 126.95 1n88 s LYS 77 Ca -0.03 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1n88 s LYS 77 Cb -0.17 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 1n88 s LYS 77 CO -0.08 0.47 0.01 0.15 -0.36 0.00 0.00 175.35 175.54 1n88 s LYS 78 N -0.64 2.89 -0.10 4.03 1.02 -1.00 0.46 119.74 126.41 1n88 s LYS 78 Ca 0.09 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 1n88 s LYS 78 Cb -0.09 -2.74 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1n88 s LYS 78 CO -0.00 0.65 -0.02 0.00 -0.92 0.00 0.00 175.35 175.06 1n88 s ALA 79 N -1.04 0.91 -0.38 5.17 0.00 0.16 -0.94 121.76 125.64 1n88 s ALA 79 Ca 0.18 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 1n88 s ALA 79 Cb -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1n88 s ALA 79 CO 0.08 -0.52 0.26 0.42 0.00 0.00 0.00 175.76 176.00 1n88 s ILE 80 N 1.88 5.14 -0.11 0.00 1.09 0.77 0.23 121.20 130.21 1n88 s ILE 80 Ca 0.04 -0.55 -0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1n88 s ILE 80 Cb -0.13 -3.79 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 1n88 s ILE 80 CO -0.06 -0.19 -0.04 -0.69 -0.10 0.00 0.00 174.94 173.85 1n88 s VAL 81 N 1.67 3.92 0.15 2.92 1.01 0.14 0.27 120.40 130.48 1n88 s VAL 81 Ca 0.05 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1n88 s VAL 81 Cb -0.18 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1n88 s VAL 81 CO 0.09 0.56 -0.00 -1.58 0.00 0.00 0.00 175.10 174.17 1n88 s GLN 82 N -0.37 2.44 0.20 2.72 2.00 0.61 0.13 119.66 127.39 1n88 s GLN 82 Ca 0.06 -1.04 0.10 0.00 -2.00 0.00 0.00 55.36 52.48 1n88 s GLN 82 Cb -0.12 -2.40 -0.04 0.00 0.80 0.00 0.00 33.01 31.24 1n88 s GLN 82 CO 0.02 0.48 -0.13 0.14 -0.50 0.00 0.00 175.29 175.30 1n88 s VAL 83 N -1.61 2.94 1.01 1.34 -7.23 -1.18 0.27 120.40 115.94 1n88 s VAL 83 Ca 0.27 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1n88 s VAL 83 Cb -0.10 -2.47 0.19 0.00 0.56 0.00 0.00 36.38 34.56 1n88 s VAL 83 CO 0.18 -0.16 0.39 0.00 -0.31 0.00 0.00 175.10 175.20 1n88 n ALA 84 N -0.06 -0.54 -1.77 1.32 0.00 -1.17 -4.69 120.51 113.61 1n88 n ALA 84 Ca -0.10 -1.03 -0.40 0.00 0.00 0.00 0.00 53.44 51.91 1n88 n ALA 84 Cb 0.56 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1n88 n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n88 s PRO 85 N -3.54 4.40 0.00 0.00 0.04 -1.26 -2.82 135.00 131.82 1n88 s PRO 85 Ca 0.36 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1n88 s PRO 85 Cb -0.06 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1n88 s PRO 85 CO 0.31 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.73 1n88 n GLY 86 N 0.91 2.97 3.95 0.56 0.00 -1.26 -5.01 105.19 107.31 1n88 n GLY 86 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1n88 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n88 s GLN 87 N -0.22 3.14 0.00 1.61 -0.21 -1.13 -5.08 119.66 117.77 1n88 s GLN 87 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1n88 s GLN 87 Cb 0.00 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.41 1n88 s GLN 87 CO 0.00 -0.17 0.00 0.36 -2.12 0.00 0.00 175.29 173.36 1n88 n LYS 88 N -1.99 0.00 -1.51 2.91 -0.00 -1.26 -4.80 118.16 111.51 1n88 n LYS 88 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.00 1n88 n LYS 88 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.45 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1n88 n ILE 89 N 0.00 -0.01 0.38 0.58 5.41 -1.26 -4.67 119.36 119.79 1n88 n ILE 89 Ca 0.00 -0.31 0.10 0.00 1.00 0.00 0.00 62.75 63.54 1n88 n ILE 89 Cb 0.00 -0.76 0.43 0.00 -0.71 0.00 0.00 39.64 38.60 1n88 n ILE 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1n88 n GLU 90 N 7.61 0.13 -0.19 0.38 -0.00 -1.26 -3.15 120.64 124.16 1n88 n GLU 90 Ca 0.61 0.40 0.14 0.00 -0.00 0.00 0.00 57.16 58.32 1n88 n GLU 90 Cb 0.17 -1.77 0.46 0.00 -0.00 0.00 0.00 31.44 30.30 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n88 h ALA 91 N 2.29 2.02 0.00 -1.84 0.00 -1.97 -2.86 119.26 116.90 1n88 h ALA 91 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1n88 h ALA 91 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1n88 h ALA 91 CO 0.00 -0.23 -1.75 1.28 0.00 0.00 0.00 179.25 178.55 1n88 n LEU 92 N -4.50 0.00 0.19 0.00 4.77 -1.19 -4.29 117.00 111.98 1n88 n LEU 92 Ca 0.15 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.30 1n88 n LEU 92 Cb 0.50 0.12 0.69 0.00 -2.33 0.00 0.00 43.42 42.40 1n88 n LEU 92 CO 0.32 0.12 1.15 1.05 -1.33 0.00 0.00 177.39 178.70 1n88 h GLU 93 N 0.00 0.00 0.00 3.23 -0.00 -1.51 0.33 114.58 116.63 1n88 h GLU 93 Ca -0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.09 1n88 h GLU 93 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.81 1n88 h GLU 93 CO 0.01 0.00 -2.07 0.41 -0.00 0.00 0.00 179.01 177.36 1n88 n GLY 94 N -1.40 -1.03 0.64 1.06 0.00 -1.23 -4.29 105.19 98.95 1n88 n GLY 94 Ca 0.04 -0.42 0.46 0.00 0.00 0.00 0.00 46.02 46.10 1n88 n GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n88 h LEU 95 N 0.00 0.00 0.00 0.99 4.07 -0.52 -3.53 115.31 116.32 1n88 h LEU 95 Ca -0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1n88 h LEU 95 Cb 1.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.20 1n88 h LEU 95 CO 0.01 0.00 0.00 -0.38 -1.08 0.00 0.00 178.44 176.99