#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 0.24 0.00 3.17 5.02 -1.26 -4.16 118.16 121.17 1n88 n LYS 2 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1n88 n LYS 2 Cb 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1n88 n THR 3 N 7.44 0.00 -1.40 -0.18 -1.04 -1.26 0.59 114.28 118.43 1n88 n THR 3 Ca 0.59 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.46 1n88 n THR 3 Cb 0.16 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.57 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 4 N 0.00 0.28 -2.88 2.41 0.00 -1.23 -3.90 120.51 115.19 1n88 n ALA 4 Ca 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 53.44 51.29 1n88 n ALA 4 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 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 16.69 -0.33 -2.97 0.00 4.11 -1.12 0.21 117.16 133.75 1n88 n TYR 5 Ca 0.35 0.17 -0.12 0.00 -0.00 0.00 0.00 57.90 58.29 1n88 n TYR 5 Cb 0.47 -0.71 0.06 0.00 -0.00 0.00 0.00 39.34 39.16 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 -0.48 -3.58 0.00 9.48 2.03 0.20 -4.80 116.55 119.40 1n88 n ASP 6 Ca -0.07 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1n88 n ASP 6 Cb 0.18 -4.04 0.00 0.00 -0.72 0.00 0.00 41.12 36.54 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n88 n VAL 7 N -3.12 0.00 -1.70 5.18 0.31 0.56 -4.60 118.33 114.96 1n88 n VAL 7 Ca -0.15 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 1n88 n VAL 7 Cb 0.61 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.58 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 2.03 3.86 0.00 2.52 1.01 -1.26 -3.89 121.20 125.48 1n88 s ILE 8 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1n88 s ILE 8 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1n88 s ILE 8 CO 0.00 -0.70 0.00 0.18 0.00 0.00 0.00 174.94 174.42 1n88 n LEU 9 N -2.79 0.00 -4.73 2.97 4.77 -1.13 -3.50 117.00 112.59 1n88 n LEU 9 Ca 0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1n88 n LEU 9 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1n88 n LEU 9 CO 0.52 0.00 -0.27 0.00 -1.33 0.00 0.00 177.39 176.31 1n88 s ALA 10 N -1.96 3.37 0.58 -1.18 0.00 -1.26 -4.88 121.76 116.42 1n88 s ALA 10 Ca 0.00 -1.35 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 1n88 s ALA 10 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1n88 s ALA 10 CO 0.00 0.44 1.06 -1.25 0.00 0.00 0.00 175.76 176.01 1n88 s PRO 11 N -3.19 3.35 0.04 0.00 0.04 -1.26 -2.65 135.00 131.34 1n88 s PRO 11 Ca 0.30 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 1n88 s PRO 11 Cb -0.09 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1n88 s PRO 11 CO 0.21 -0.80 0.46 0.14 0.04 0.00 0.00 177.00 177.06 1n88 s VAL 12 N -2.34 4.95 -0.42 -0.36 -7.23 -1.18 -4.93 120.40 108.90 1n88 s VAL 12 Ca 0.65 0.88 -0.13 0.00 -1.81 0.00 0.00 61.98 61.57 1n88 s VAL 12 Cb -0.17 -3.75 0.05 0.00 0.56 0.00 0.00 36.38 33.07 1n88 s VAL 12 CO 0.34 0.50 0.29 -0.76 -0.31 0.00 0.00 175.10 175.17 1n88 s LEU 13 N -1.28 5.15 -0.21 1.32 2.01 -1.26 -4.69 118.68 119.72 1n88 s LEU 13 Ca 0.28 -1.19 -0.27 0.00 0.01 0.00 0.00 54.13 52.96 1n88 s LEU 13 Cb -0.17 -2.09 0.08 0.00 0.01 0.00 0.00 46.19 44.02 1n88 s LEU 13 CO 0.16 -0.51 0.77 -0.44 1.01 0.00 0.00 176.35 177.34 1n88 s SER 14 N 2.00 -0.67 0.24 2.29 0.01 -1.26 -5.00 113.70 111.31 1n88 s SER 14 Ca 0.03 1.13 -0.13 0.00 1.31 0.00 0.00 55.95 58.29 1n88 s SER 14 Cb -0.21 1.09 0.30 0.00 0.21 0.00 0.00 66.02 67.41 1n88 s SER 14 CO 0.06 -0.33 1.58 -0.08 0.41 0.00 0.00 173.24 174.88 1n88 h GLU 15 N 4.26 -0.03 -0.81 12.44 4.22 -1.98 0.59 114.58 133.27 1n88 h GLU 15 Ca -0.28 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.26 1n88 h GLU 15 Cb 1.16 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 1n88 h GLU 15 CO 0.16 -0.02 0.45 -0.22 -2.18 0.00 0.00 179.01 177.20 1n88 h LYS 16 N -0.03 0.72 0.23 1.92 3.64 -1.98 -1.19 116.57 119.88 1n88 h LYS 16 Ca 0.37 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1n88 h LYS 16 Cb 0.60 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1n88 h LYS 16 CO -0.85 0.48 -0.11 0.00 -2.27 0.00 0.00 179.45 176.70 1n88 h ALA 17 N 1.46 -0.54 -1.33 5.00 0.00 -0.32 0.21 119.26 123.75 1n88 h ALA 17 Ca 0.40 -0.07 0.39 0.00 0.00 0.00 0.00 54.91 55.63 1n88 h ALA 17 Cb 0.40 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1n88 h ALA 17 CO -0.26 -0.52 1.17 1.88 0.00 0.00 0.00 179.25 181.51 1n88 h TYR 18 N -0.56 0.00 0.06 0.00 0.05 -0.69 1.85 116.97 117.68 1n88 h TYR 18 Ca -0.03 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.42 1n88 h TYR 18 Cb 0.23 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1n88 h TYR 18 CO 0.05 0.00 -1.86 0.00 -1.05 0.00 0.00 178.16 175.31 1n88 n ALA 19 N -2.57 1.20 0.03 3.88 0.00 -0.46 -2.53 120.51 120.06 1n88 n ALA 19 Ca 0.30 -0.69 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 1n88 n ALA 19 Cb 1.58 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 20.13 1n88 n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n88 h GLY 20 N 2.35 0.34 2.00 0.00 0.00 0.47 -3.15 103.07 105.08 1n88 h GLY 20 Ca -0.36 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.18 1n88 h GLY 20 CO 0.08 0.68 -0.09 0.27 0.00 0.00 0.00 176.54 177.47 1n88 h PHE 21 N -0.34 0.00 0.00 5.60 -0.00 0.21 -2.73 116.94 119.68 1n88 h PHE 21 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.86 1n88 h PHE 21 Cb 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.42 1n88 h PHE 21 CO 0.19 0.09 0.36 0.00 -0.00 0.00 0.00 178.31 178.95 1n88 h ALA 22 N 1.91 1.35 -0.50 12.09 0.00 -1.45 0.53 119.26 133.19 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 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1n88 h ALA 22 CO 0.01 -0.35 0.00 -1.91 0.00 0.00 0.00 179.25 177.01 1n88 n GLU 23 N -2.77 3.15 -0.12 0.00 2.13 -1.03 -4.84 120.64 117.17 1n88 n GLU 23 Ca -0.02 -2.21 0.00 0.00 0.66 0.00 0.00 57.16 55.59 1n88 n GLU 23 Cb 0.40 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n88 n GLY 24 N 0.93 0.60 3.79 8.31 0.00 0.18 -4.80 105.19 114.19 1n88 n GLY 24 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.88 4.50 -0.28 1.61 1.02 -0.94 -2.54 119.74 122.22 1n88 s LYS 25 Ca 0.00 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.16 1n88 s LYS 25 Cb 0.00 -2.94 0.08 0.00 -0.52 0.00 0.00 37.83 34.46 1n88 s LYS 25 CO 0.00 0.38 0.04 0.71 -0.92 0.00 0.00 175.35 175.56 1n88 s TYR 26 N -1.48 2.29 0.30 3.18 2.02 0.70 -3.97 117.35 120.38 1n88 s TYR 26 Ca 0.45 -1.93 -0.28 0.00 -0.37 0.00 0.00 57.07 54.93 1n88 s TYR 26 Cb -0.19 -1.87 -0.09 0.00 -0.40 0.00 0.00 41.96 39.40 1n88 s TYR 26 CO 0.24 -0.84 1.06 0.99 -1.57 0.00 0.00 175.55 175.43 1n88 s THR 27 N 1.42 3.65 0.15 -0.71 2.01 -1.16 -0.59 115.64 120.41 1n88 s THR 27 Ca 0.04 1.57 0.00 0.00 0.31 0.00 0.00 61.69 63.62 1n88 s THR 27 Cb -0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1n88 s THR 27 CO -0.14 0.31 0.04 -0.36 -0.69 0.00 0.00 174.62 173.77 1n88 s PHE 28 N -1.27 1.01 -0.27 4.92 0.08 0.31 -3.11 117.98 119.65 1n88 s PHE 28 Ca 0.47 -1.16 -0.10 0.00 0.12 0.00 0.00 56.93 56.26 1n88 s PHE 28 Cb -0.29 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 1n88 s PHE 28 CO 0.36 -0.41 0.15 -1.58 -0.10 0.00 0.00 175.22 173.65 1n88 s TRP 29 N -3.90 3.20 0.19 0.36 0.23 -1.08 -0.91 118.94 117.02 1n88 s TRP 29 Ca 0.25 -0.01 -0.14 0.00 -2.03 0.00 0.00 56.10 54.17 1n88 s TRP 29 Cb 0.07 -2.32 0.01 0.00 0.03 0.00 0.00 33.47 31.26 1n88 s TRP 29 CO 0.03 -0.18 0.44 0.54 0.96 0.00 0.00 176.95 178.74 1n88 s VAL 30 N 1.61 0.04 1.05 4.03 0.11 -0.13 -2.83 120.40 124.29 1n88 s VAL 30 Ca 0.07 -1.04 -0.15 0.00 -2.93 0.00 0.00 61.98 57.93 1n88 s VAL 30 Cb -0.15 -1.72 0.21 0.00 -1.53 0.00 0.00 36.38 33.19 1n88 s VAL 30 CO 0.08 -0.17 1.11 -1.00 -3.33 0.00 0.00 175.10 171.79 1n88 s HIS 31 N -3.92 1.66 -0.06 1.54 3.76 -1.25 -3.49 115.29 113.52 1n88 s HIS 31 Ca 0.13 0.79 -0.10 0.00 -0.15 0.00 0.00 55.06 55.72 1n88 s HIS 31 Cb 0.00 -3.37 -0.06 0.00 1.11 0.00 0.00 32.58 30.26 1n88 s HIS 31 CO -0.01 -3.14 0.41 -1.00 -0.85 0.00 0.00 174.74 170.16 1n88 h PRO 32 N -2.06 -0.28 -1.11 8.40 0.13 -1.92 -3.25 132.00 131.91 1n88 h PRO 32 Ca -0.51 0.02 0.32 0.00 -0.87 0.00 0.00 66.00 64.96 1n88 h PRO 32 Cb 1.32 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 1n88 h PRO 32 CO 0.51 -0.13 1.17 0.36 -0.23 0.00 0.00 178.00 179.67 1n88 n LYS 33 N -4.97 0.01 -1.71 0.86 2.85 -1.26 -4.04 118.16 109.90 1n88 n LYS 33 Ca -0.04 0.95 -0.19 0.00 -1.05 0.00 0.00 58.31 57.98 1n88 n LYS 33 Cb 0.14 -2.34 -0.06 0.00 -0.65 0.00 0.00 35.03 32.12 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n88 s ALA 34 N -4.33 1.04 1.00 0.58 0.00 -1.23 -4.91 121.76 113.90 1n88 s ALA 34 Ca -0.03 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 1n88 s ALA 34 Cb 0.15 -4.55 0.01 0.00 0.00 0.00 0.00 23.12 18.72 1n88 s ALA 34 CO 0.50 -5.50 -0.00 0.25 0.00 0.00 0.00 175.76 171.01 1n88 n THR 35 N 8.47 0.00 0.26 0.00 -2.24 -1.26 -4.64 114.28 114.86 1n88 n THR 35 Ca 0.44 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.80 1n88 n THR 35 Cb 0.45 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.13 1n88 n THR 35 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1n88 h LYS 36 N -1.54 -0.72 -0.47 -0.78 3.64 -1.92 -2.23 116.57 112.55 1n88 h LYS 36 Ca -0.45 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1n88 h LYS 36 Cb 1.31 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 1n88 h LYS 36 CO 0.32 -0.48 0.28 1.15 -2.27 0.00 0.00 179.45 178.46 1n88 h THR 37 N -0.74 1.13 -0.80 1.00 2.02 -1.92 -2.11 112.91 111.49 1n88 h THR 37 Ca -0.04 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 66.93 1n88 h THR 37 Cb 0.64 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1n88 h THR 37 CO 0.00 0.14 0.46 -0.33 0.37 0.00 0.00 175.52 176.16 1n88 h GLU 38 N 0.64 0.77 -0.31 6.66 5.08 -1.73 0.17 114.58 125.86 1n88 h GLU 38 Ca 0.17 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1n88 h GLU 38 Cb -0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1n88 h GLU 38 CO -0.03 0.51 0.22 0.82 -1.00 0.00 0.00 179.01 179.52 1n88 h ILE 39 N 0.79 0.90 -0.33 3.13 2.04 -0.90 -1.72 117.51 121.44 1n88 h ILE 39 Ca 0.37 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.18 1n88 h ILE 39 Cb 0.30 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1n88 h ILE 39 CO -0.22 0.02 0.16 0.50 0.00 0.00 0.00 178.15 178.61 1n88 h LYS 40 N 0.12 0.47 -0.13 2.37 3.64 -0.66 -2.29 116.57 120.09 1n88 h LYS 40 Ca 0.14 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1n88 h LYS 40 Cb 0.42 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1n88 h LYS 40 CO -0.02 0.42 0.05 -0.91 -2.27 0.00 0.00 179.45 176.73 1n88 h ASN 41 N 0.39 0.06 -0.15 4.20 2.35 -1.19 -0.55 115.58 120.70 1n88 h ASN 41 Ca 0.11 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1n88 h ASN 41 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1n88 h ASN 41 CO -0.02 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 1n88 h ALA 42 N 1.08 0.20 -0.74 -0.83 0.00 -1.49 -2.85 119.26 114.62 1n88 h ALA 42 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1n88 h ALA 42 Cb 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1n88 h ALA 42 CO -0.05 -0.11 0.25 0.28 0.00 0.00 0.00 179.25 179.62 1n88 h VAL 43 N -0.00 1.26 -0.41 0.00 2.07 -1.37 0.93 116.25 118.73 1n88 h VAL 43 Ca 0.04 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.74 1n88 h VAL 43 Cb 0.36 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1n88 h VAL 43 CO 0.01 0.35 0.14 -0.08 0.02 0.00 0.00 177.57 178.00 1n88 h GLU 44 N 1.09 0.29 0.11 1.57 4.22 -1.04 0.15 114.58 120.98 1n88 h GLU 44 Ca 0.24 -0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.50 1n88 h GLU 44 Cb 0.28 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1n88 h GLU 44 CO -0.01 0.19 -0.70 1.79 -2.18 0.00 0.00 179.01 178.10 1n88 h THR 45 N 0.30 1.53 0.03 0.32 1.35 -1.26 -0.44 112.91 114.74 1n88 h THR 45 Ca 0.19 -2.46 -0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1n88 h THR 45 Cb 0.18 3.15 -0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1n88 h THR 45 CO -0.20 0.69 -0.02 0.00 -0.25 0.00 0.00 175.52 175.74 1n88 h ALA 46 N 0.11 -0.92 0.00 6.62 0.00 0.11 -3.07 119.26 122.10 1n88 h ALA 46 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1n88 h ALA 46 Cb 1.53 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1n88 h ALA 46 CO 0.13 -0.92 -0.11 0.74 0.00 0.00 0.00 179.25 179.10 1n88 h PHE 47 N -0.05 0.00 -4.59 0.00 0.04 -0.88 -3.47 116.94 108.00 1n88 h PHE 47 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 1n88 h PHE 47 Cb 0.04 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.29 1n88 h PHE 47 CO 0.11 0.11 -0.50 1.63 -0.60 0.00 0.00 178.31 179.05 1n88 n LYS 48 N -3.23 -5.92 -0.44 1.51 5.02 -0.18 -5.01 118.16 109.91 1n88 n LYS 48 Ca 0.01 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1n88 n LYS 48 Cb 0.38 -5.01 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n88 n VAL 49 N -4.36 0.00 -3.98 -0.18 3.14 -1.18 -5.01 118.33 106.76 1n88 n VAL 49 Ca 0.01 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.06 1n88 n VAL 49 Cb 0.55 -0.11 -0.14 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.47 1.93 -0.22 1.45 2.36 -1.26 -4.74 119.74 119.73 1n88 s LYS 50 Ca 0.00 -1.62 -0.29 0.00 -2.55 0.00 0.00 55.97 51.51 1n88 s LYS 50 Cb 0.00 -3.16 0.00 0.00 -1.05 0.00 0.00 37.83 33.62 1n88 s LYS 50 CO 0.00 -0.80 1.10 0.08 1.55 0.00 0.00 175.35 177.28 1n88 s VAL 51 N 1.05 4.57 -2.43 4.02 1.01 -1.26 -2.66 120.40 124.70 1n88 s VAL 51 Ca 0.02 1.89 0.20 0.00 0.00 0.00 0.00 61.98 64.10 1n88 s VAL 51 Cb -0.20 -4.24 0.14 0.00 0.00 0.00 0.00 36.38 32.08 1n88 s VAL 51 CO -0.05 -0.19 1.12 0.55 0.00 0.00 0.00 175.10 176.53 1n88 n VAL 52 N 5.37 0.00 0.00 2.92 3.14 0.73 -4.84 118.33 125.65 1n88 n VAL 52 Ca 0.12 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1n88 n VAL 52 Cb 0.46 1.40 0.00 0.00 -1.06 0.00 0.00 33.84 34.63 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 0.99 0.00 -3.92 1.45 -0.00 -1.06 -4.89 118.16 110.74 1n88 n LYS 53 Ca 0.11 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.19 1n88 n LYS 53 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.35 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 -1.69 0.62 -0.20 0.58 1.01 -1.26 0.17 120.40 119.63 1n88 s VAL 54 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1n88 s VAL 54 Cb 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.72 1n88 s VAL 54 CO 0.00 0.29 -0.14 0.21 0.00 0.00 0.00 175.10 175.46 1n88 s ASN 55 N 1.64 3.48 -0.01 3.32 3.04 0.76 -4.89 114.94 122.29 1n88 s ASN 55 Ca 0.01 -0.89 0.08 0.00 0.04 0.00 0.00 52.86 52.10 1n88 s ASN 55 Cb -0.13 -1.38 -0.02 0.00 -1.54 0.00 0.00 41.25 38.18 1n88 s ASN 55 CO -0.05 -0.10 -0.25 0.28 -3.04 0.00 0.00 177.10 173.94 1n88 s THR 56 N 1.30 2.00 -0.01 -5.21 -1.32 -1.26 0.26 115.64 111.41 1n88 s THR 56 Ca -0.00 -1.13 -0.13 0.00 -1.21 0.00 0.00 61.69 59.22 1n88 s THR 56 Cb -0.16 -1.67 0.02 0.00 -1.51 0.00 0.00 72.50 69.18 1n88 s THR 56 CO -0.09 0.52 0.27 -1.48 -2.21 0.00 0.00 174.62 171.63 1n88 s LEU 57 N -0.71 1.00 0.19 9.08 2.34 -0.34 -4.91 118.68 125.33 1n88 s LEU 57 Ca 0.10 0.03 -0.20 0.00 0.06 0.00 0.00 54.13 54.12 1n88 s LEU 57 Cb -0.10 1.14 -0.08 0.00 -0.56 0.00 0.00 46.19 46.60 1n88 s LEU 57 CO -0.00 -0.43 0.70 -1.00 -1.06 0.00 0.00 176.35 174.55 1n88 s HIS 58 N -1.33 3.69 -0.12 3.48 3.76 -1.26 -2.00 115.29 121.52 1n88 s HIS 58 Ca -0.14 1.37 -0.07 0.00 -0.15 0.00 0.00 55.06 56.08 1n88 s HIS 58 Cb -0.06 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 1n88 s HIS 58 CO 0.04 0.40 0.12 0.14 -0.85 0.00 0.00 174.74 174.58 1n88 s VAL 59 N -1.43 5.35 0.00 -0.90 -7.23 -0.45 -4.91 120.40 110.83 1n88 s VAL 59 Ca 0.40 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1n88 s VAL 59 Cb -0.18 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1n88 s VAL 59 CO 0.21 0.60 0.00 0.54 -0.31 0.00 0.00 175.10 176.15 1n88 n ARG 60 N 2.12 0.00 -3.02 4.82 1.74 -1.26 -3.82 116.66 117.25 1n88 n ARG 60 Ca -0.20 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.88 1n88 n ARG 60 Cb 0.55 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.98 1n88 n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n88 n GLY 61 N 0.00 -1.12 1.05 -0.13 0.00 -0.69 -4.73 105.19 99.57 1n88 n GLY 61 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 1.89 0.00 -3.68 1.61 4.81 -1.26 -4.76 118.16 116.77 1n88 n LYS 62 Ca -0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.24 1n88 n LYS 62 Cb 0.24 -0.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.71 1n88 n LYS 62 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1n88 s LYS 63 N -2.00 0.65 -1.77 1.64 2.20 -1.26 -4.88 119.74 114.32 1n88 s LYS 63 Ca 0.00 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 1n88 s LYS 63 Cb 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1n88 s LYS 63 CO 0.00 -0.08 0.00 1.63 -0.36 0.00 0.00 175.35 176.54 1n88 n LYS 64 N 2.74 -1.63 -0.13 4.03 5.02 -1.26 -4.83 118.16 122.11 1n88 n LYS 64 Ca -0.14 0.99 -0.26 0.00 -2.02 0.00 0.00 58.31 56.88 1n88 n LYS 64 Cb 0.56 -5.49 -0.09 0.00 -0.02 0.00 0.00 35.03 29.99 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n88 n ARG 65 N -2.61 0.54 0.00 1.97 1.74 -1.26 -4.89 116.66 112.15 1n88 n ARG 65 Ca -0.20 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1n88 n ARG 65 Cb 0.64 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n88 n LEU 66 N -4.03 0.00 -2.57 0.55 4.32 -1.26 -4.22 117.00 109.79 1n88 n LEU 66 Ca -0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.46 1n88 n LEU 66 Cb 0.86 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.76 1n88 n LEU 66 CO 0.05 -1.03 0.55 0.61 -1.22 0.00 0.00 177.39 176.35 1n88 n GLY 67 N 0.00 1.19 0.35 -0.72 0.00 -1.26 -3.61 105.19 101.14 1n88 n GLY 67 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.94 0.61 -3.90 1.61 1.74 -1.26 -4.94 116.66 109.58 1n88 n ARG 68 Ca -0.12 -1.80 -0.09 0.00 -0.77 0.00 0.00 57.85 55.08 1n88 n ARG 68 Cb 0.81 -0.96 -0.02 0.00 -1.02 0.00 0.00 32.46 31.27 1n88 n ARG 68 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1n88 s TYR 69 N -1.37 0.14 -0.22 -1.55 5.04 -1.26 -5.03 117.35 113.10 1n88 s TYR 69 Ca 0.16 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 54.16 1n88 s TYR 69 Cb 0.15 0.54 0.05 0.00 0.35 0.00 0.00 41.96 43.05 1n88 s TYR 69 CO 0.01 -1.26 2.47 1.28 -1.34 0.00 0.00 175.55 176.71 1n88 n LEU 70 N -0.47 6.00 0.00 6.97 7.99 -1.26 -4.73 117.00 131.50 1n88 n LEU 70 Ca -0.04 -3.25 0.00 0.00 -0.01 0.00 0.00 56.01 52.71 1n88 n LEU 70 Cb 0.60 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 1n88 n LEU 70 CO 0.21 1.37 0.00 0.61 -1.51 0.00 0.00 177.39 178.08 1n88 n GLY 71 N 1.11 0.45 1.53 -0.72 0.00 -1.26 -5.08 105.19 101.22 1n88 n GLY 71 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1n88 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 72 N 0.00 -1.81 -3.40 1.61 4.76 -1.26 -5.02 118.16 113.03 1n88 n LYS 72 Ca 0.00 -0.77 -0.28 0.00 -2.87 0.00 0.00 58.31 54.39 1n88 n LYS 72 Cb 0.00 -0.70 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 1n88 n LYS 72 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1n88 s ARG 73 N -4.09 3.61 0.00 1.97 0.52 -1.26 -4.84 118.95 114.86 1n88 s ARG 73 Ca 0.31 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1n88 s ARG 73 Cb -0.03 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.76 1n88 s ARG 73 CO 0.23 0.25 0.00 -0.35 0.02 0.00 0.00 175.30 175.45 1n88 n PRO 74 N -0.88 0.29 -3.79 3.54 -0.04 -1.24 -2.42 135.00 130.47 1n88 n PRO 74 Ca -0.02 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.09 1n88 n PRO 74 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 1n88 n PRO 74 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n88 s ASP 75 N -1.34 4.98 -0.15 3.54 -1.08 -1.26 -1.70 116.67 119.66 1n88 s ASP 75 Ca 0.00 -2.89 -0.17 0.00 -0.52 0.00 0.00 52.55 48.98 1n88 s ASP 75 Cb 0.00 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.63 1n88 s ASP 75 CO 0.00 -0.33 0.42 -0.60 0.52 0.00 0.00 175.17 175.18 1n88 s ARG 76 N -0.11 4.28 -0.17 4.34 6.06 -1.25 -4.93 118.95 127.17 1n88 s ARG 76 Ca 0.17 0.32 -0.14 0.00 -2.50 0.00 0.00 55.73 53.58 1n88 s ARG 76 Cb -0.22 -3.46 -0.05 0.00 0.06 0.00 0.00 34.95 31.28 1n88 s ARG 76 CO -0.03 0.11 0.29 0.21 -2.50 0.00 0.00 175.30 173.39 1n88 s LYS 77 N 0.80 4.23 0.15 5.12 2.20 -1.23 -1.34 119.74 129.67 1n88 s LYS 77 Ca 0.22 0.08 0.11 0.00 -0.36 0.00 0.00 55.97 56.02 1n88 s LYS 77 Cb -0.15 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1n88 s LYS 77 CO 0.08 0.18 -0.25 -1.59 -0.36 0.00 0.00 175.35 173.42 1n88 s LYS 78 N 0.64 1.48 -0.12 4.03 -2.85 -0.84 -0.95 119.74 121.12 1n88 s LYS 78 Ca 0.16 -1.38 0.02 0.00 -1.00 0.00 0.00 55.97 53.77 1n88 s LYS 78 Cb -0.13 -1.91 -0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1n88 s LYS 78 CO 0.04 0.44 -0.20 0.00 0.10 0.00 0.00 175.35 175.73 1n88 s ALA 79 N -1.26 2.33 -0.34 0.59 0.00 -0.09 -1.20 121.76 121.80 1n88 s ALA 79 Ca 0.17 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 1n88 s ALA 79 Cb -0.09 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1n88 s ALA 79 CO 0.08 0.20 0.13 0.42 0.00 0.00 0.00 175.76 176.59 1n88 s ILE 80 N 0.46 4.09 -0.09 0.00 1.09 0.73 0.11 121.20 127.59 1n88 s ILE 80 Ca -0.14 -0.93 -0.02 0.00 -1.10 0.00 0.00 60.65 58.46 1n88 s ILE 80 Cb -0.17 -3.25 -0.03 0.00 -1.06 0.00 0.00 42.46 37.94 1n88 s ILE 80 CO 0.06 -0.13 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.06 1n88 s VAL 81 N 1.48 4.23 0.14 2.92 1.01 0.24 0.27 120.40 130.68 1n88 s VAL 81 Ca 0.01 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1n88 s VAL 81 Cb -0.19 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1n88 s VAL 81 CO 0.04 0.59 0.12 -1.58 0.00 0.00 0.00 175.10 174.27 1n88 s GLN 82 N -0.75 2.90 0.23 2.72 2.00 0.44 0.25 119.66 127.44 1n88 s GLN 82 Ca 0.12 -0.81 0.11 0.00 -2.00 0.00 0.00 55.36 52.78 1n88 s GLN 82 Cb -0.11 -2.67 -0.05 0.00 0.80 0.00 0.00 33.01 30.98 1n88 s GLN 82 CO 0.02 0.51 -0.20 0.14 -0.50 0.00 0.00 175.29 175.26 1n88 s VAL 83 N -1.63 2.53 1.31 1.34 -7.23 -1.05 0.26 120.40 115.92 1n88 s VAL 83 Ca 0.30 -2.12 -0.20 0.00 -1.81 0.00 0.00 61.98 58.15 1n88 s VAL 83 Cb -0.11 -2.26 0.33 0.00 0.56 0.00 0.00 36.38 34.90 1n88 s VAL 83 CO 0.23 -0.23 1.01 0.00 -0.31 0.00 0.00 175.10 175.80 1n88 s ALA 84 N -2.00 -0.22 0.24 1.32 0.00 -1.09 -4.68 121.76 115.33 1n88 s ALA 84 Ca 0.25 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1n88 s ALA 84 Cb -0.07 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 1n88 s ALA 84 CO 0.13 -4.13 1.10 -1.25 0.00 0.00 0.00 175.76 171.60 1n88 s PRO 85 N -5.11 4.63 0.00 0.00 0.04 -1.26 -3.50 135.00 129.80 1n88 s PRO 85 Ca 0.69 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1n88 s PRO 85 Cb -0.14 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1n88 s PRO 85 CO 0.58 0.16 0.00 0.41 0.04 0.00 0.00 177.00 178.19 1n88 n GLY 86 N 1.53 1.89 3.88 0.56 0.00 -1.26 -5.06 105.19 106.73 1n88 n GLY 86 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1n88 n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n88 s GLN 87 N 0.00 2.37 0.00 1.61 0.00 -1.23 -5.13 119.66 117.27 1n88 s GLN 87 Ca 0.00 -1.78 0.00 0.00 -0.00 0.00 0.00 55.36 53.58 1n88 s GLN 87 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 33.01 30.78 1n88 s GLN 87 CO 0.00 -0.40 0.00 0.36 0.00 0.00 0.00 175.29 175.25 1n88 n LYS 88 N -1.65 0.00 -2.72 9.60 0.00 -1.26 -4.88 118.16 117.25 1n88 n LYS 88 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.90 1n88 n LYS 88 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.65 1n88 n LYS 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1n88 s ILE 89 N -0.09 4.42 -0.35 0.58 1.01 -1.26 -4.78 121.20 120.73 1n88 s ILE 89 Ca 0.00 -1.92 0.17 0.00 0.00 0.00 0.00 60.65 58.89 1n88 s ILE 89 Cb 0.00 -5.05 0.17 0.00 0.01 0.00 0.00 42.46 37.58 1n88 s ILE 89 CO 0.00 -1.85 1.51 -1.84 0.00 0.00 0.00 174.94 172.76 1n88 n GLU 90 N 7.49 0.11 0.32 2.79 0.28 -1.26 -2.17 120.64 128.20 1n88 n GLU 90 Ca 0.41 0.61 0.17 0.00 -0.16 0.00 0.00 57.16 58.18 1n88 n GLU 90 Cb 0.46 -1.88 0.89 0.00 1.43 0.00 0.00 31.44 32.35 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n88 h ALA 91 N 1.95 1.24 0.00 -1.84 0.00 -2.01 -0.34 119.26 118.26 1n88 h ALA 91 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1n88 h ALA 91 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n88 h ALA 91 CO 0.00 -0.24 -1.77 1.28 0.00 0.00 0.00 179.25 178.52 1n88 n LEU 92 N -2.87 0.00 0.24 0.00 4.77 -0.92 -4.07 117.00 114.14 1n88 n LEU 92 Ca -0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 1n88 n LEU 92 Cb 0.29 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1n88 n LEU 92 CO 0.14 0.11 0.71 -0.33 -1.33 0.00 0.00 177.39 176.69 1n88 h GLU 93 N 0.00 -0.59 0.00 3.23 4.39 -1.18 -2.45 114.58 117.98 1n88 h GLU 93 Ca -0.12 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1n88 h GLU 93 Cb 1.05 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1n88 h GLU 93 CO 0.01 -0.39 -0.13 0.78 -1.16 0.00 0.00 179.01 178.11 1n88 h GLY 94 N -0.61 0.00 -0.96 -3.84 0.00 -1.78 -3.18 103.07 92.68 1n88 h GLY 94 Ca -0.04 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.64 1n88 h GLY 94 CO 0.05 0.00 1.14 -2.00 0.00 0.00 0.00 176.54 175.72 1n88 h LEU 95 N 0.00 0.00 0.00 3.11 5.85 -1.58 -3.53 115.31 119.16 1n88 h LEU 95 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n88 h LEU 95 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1n88 h LEU 95 CO 0.02 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.74