#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 s LYS 2 N 0.00 3.66 0.39 2.12 3.01 -1.26 -4.86 119.74 122.80 1n88 s LYS 2 Ca 0.00 0.26 0.32 0.00 -1.01 0.00 0.00 55.97 55.54 1n88 s LYS 2 Cb 0.00 -3.86 1.29 0.00 -1.01 0.00 0.00 37.83 34.25 1n88 s LYS 2 CO 0.00 -1.01 1.26 -2.37 0.51 0.00 0.00 175.35 173.74 1n88 n THR 3 N 6.05 -0.12 -0.33 2.17 5.66 -1.26 0.27 114.28 126.72 1n88 n THR 3 Ca 0.04 1.34 -0.26 0.00 -3.05 0.00 0.00 64.05 62.13 1n88 n THR 3 Cb 0.48 -2.22 -0.07 0.00 -1.55 0.00 0.00 70.33 66.98 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 -2.63 1.09 -3.35 1.79 0.00 -1.26 -4.09 120.51 112.07 1n88 n ALA 4 Ca 0.34 -1.60 -0.19 0.00 0.00 0.00 0.00 53.44 51.99 1n88 n ALA 4 Cb 1.42 -3.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 7.19 -0.65 -3.71 0.00 4.11 -0.96 0.11 117.16 123.25 1n88 n TYR 5 Ca 0.28 0.34 -0.29 0.00 -0.00 0.00 0.00 57.90 58.23 1n88 n TYR 5 Cb 0.24 -1.31 0.03 0.00 -0.00 0.00 0.00 39.34 38.29 1n88 n TYR 5 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1n88 n ASP 6 N -1.24 -5.31 0.00 9.48 5.68 0.76 -4.93 116.55 121.00 1n88 n ASP 6 Ca -0.09 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 1n88 n ASP 6 Cb 0.33 -2.91 0.00 0.00 -1.14 0.00 0.00 41.12 37.40 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1n88 n VAL 7 N -3.72 0.00 -1.23 2.12 0.31 0.31 -4.67 118.33 111.45 1n88 n VAL 7 Ca -0.13 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 1n88 n VAL 7 Cb 0.60 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.64 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 2.78 2.40 0.00 2.52 1.01 -1.26 -3.45 121.20 125.20 1n88 s ILE 8 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1n88 s ILE 8 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.89 1n88 s ILE 8 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 174.94 174.81 1n88 n LEU 9 N -3.21 0.00 -4.68 2.97 -0.00 -0.26 -4.69 117.00 107.14 1n88 n LEU 9 Ca 0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.81 1n88 n LEU 9 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 1n88 n LEU 9 CO 0.49 0.00 -0.33 0.00 -0.00 0.00 0.00 177.39 177.55 1n88 s ALA 10 N -1.77 3.27 0.92 1.47 0.00 -1.26 -4.88 121.76 119.50 1n88 s ALA 10 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1n88 s ALA 10 Cb 0.00 -1.31 0.14 0.00 0.00 0.00 0.00 23.12 21.95 1n88 s ALA 10 CO 0.00 0.65 1.13 -1.25 0.00 0.00 0.00 175.76 176.29 1n88 s PRO 11 N -1.63 1.11 -0.08 0.00 0.04 -1.26 -0.46 135.00 132.72 1n88 s PRO 11 Ca 0.20 0.32 0.03 0.00 0.04 0.00 0.00 61.00 61.59 1n88 s PRO 11 Cb -0.11 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1n88 s PRO 11 CO 0.11 -2.23 -0.16 0.14 0.04 0.00 0.00 177.00 174.90 1n88 s VAL 12 N -3.25 2.89 -0.38 -0.36 -7.23 -1.09 -4.73 120.40 106.24 1n88 s VAL 12 Ca 0.64 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 1n88 s VAL 12 Cb -0.15 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.67 1n88 s VAL 12 CO 0.54 0.57 0.24 -0.76 -0.31 0.00 0.00 175.10 175.37 1n88 s LEU 13 N -0.29 4.84 -0.18 1.32 2.01 -1.26 -4.78 118.68 120.34 1n88 s LEU 13 Ca 0.02 -0.95 -0.28 0.00 0.01 0.00 0.00 54.13 52.93 1n88 s LEU 13 Cb -0.13 -2.07 0.10 0.00 0.01 0.00 0.00 46.19 44.10 1n88 s LEU 13 CO 0.03 -0.40 0.85 -0.44 1.01 0.00 0.00 176.35 177.39 1n88 s SER 14 N 1.60 -0.56 0.48 2.29 0.01 -1.26 -4.98 113.70 111.28 1n88 s SER 14 Ca 0.03 0.83 0.35 0.00 1.31 0.00 0.00 55.95 58.47 1n88 s SER 14 Cb -0.19 0.75 1.49 0.00 0.21 0.00 0.00 66.02 68.28 1n88 s SER 14 CO 0.08 -0.36 1.66 -0.33 0.41 0.00 0.00 173.24 174.69 1n88 h GLU 15 N 3.57 0.08 0.00 12.44 4.39 -1.99 2.11 114.58 135.18 1n88 h GLU 15 Ca -0.25 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 1n88 h GLU 15 Cb 1.16 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1n88 h GLU 15 CO 0.24 0.05 -0.37 -0.22 -1.16 0.00 0.00 179.01 177.54 1n88 h LYS 16 N 0.08 0.00 -0.73 2.33 3.64 -1.98 0.11 116.57 120.02 1n88 h LYS 16 Ca 0.78 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.16 1n88 h LYS 16 Cb 2.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.52 1n88 h LYS 16 CO -0.23 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 1n88 n ALA 17 N -2.39 3.29 0.00 5.00 0.00 0.71 -3.84 120.51 123.28 1n88 n ALA 17 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1n88 n ALA 17 Cb 0.44 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.40 0.00 -0.03 0.00 4.01 -0.88 -4.25 117.16 116.41 1n88 n TYR 18 Ca 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.90 1n88 n TYR 18 Cb 0.80 0.09 0.27 0.00 -0.31 0.00 0.00 39.34 40.18 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 1.32 0.01 -0.72 0.00 -0.98 0.87 119.26 119.75 1n88 h ALA 19 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 1n88 h ALA 19 Cb 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1n88 h ALA 19 CO 0.00 0.47 -2.05 0.41 0.00 0.00 0.00 179.25 178.07 1n88 n GLY 20 N -0.86 -0.94 0.02 0.00 0.00 -1.25 -3.77 105.19 98.39 1n88 n GLY 20 Ca 0.02 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1n88 n GLY 20 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n88 n PHE 21 N -2.96 0.15 0.40 1.61 -0.00 -1.04 -2.62 117.46 113.00 1n88 n PHE 21 Ca -0.26 0.05 0.05 0.00 -0.00 0.00 0.00 57.45 57.29 1n88 n PHE 21 Cb 1.09 -0.59 0.23 0.00 -0.00 0.00 0.00 39.48 40.22 1n88 n PHE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1n88 n ALA 22 N -1.55 1.53 0.59 3.13 0.00 0.30 -1.60 120.51 122.91 1n88 n ALA 22 Ca 0.04 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1n88 n ALA 22 Cb 0.22 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1n88 n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1n88 n GLU 23 N -1.42 1.35 0.00 0.00 0.00 -1.08 -4.93 120.64 114.56 1n88 n GLU 23 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 57.16 56.11 1n88 n GLU 23 Cb 0.10 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.31 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1n88 n GLY 24 N 0.90 1.19 3.73 8.31 0.00 -0.63 -4.84 105.19 113.86 1n88 n GLY 24 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.03 4.50 -0.22 1.61 1.02 -1.22 -3.03 119.74 122.37 1n88 s LYS 25 Ca 0.00 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.08 1n88 s LYS 25 Cb 0.00 -3.40 0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1n88 s LYS 25 CO 0.00 0.18 -0.05 0.71 -0.92 0.00 0.00 175.35 175.27 1n88 s TYR 26 N 0.32 2.16 -0.02 3.18 2.02 0.64 -3.83 117.35 121.82 1n88 s TYR 26 Ca 0.41 -1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 55.25 1n88 s TYR 26 Cb -0.20 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1n88 s TYR 26 CO 0.23 -0.73 1.01 0.99 -1.57 0.00 0.00 175.55 175.48 1n88 s THR 27 N 1.48 4.75 0.29 -0.71 2.01 -1.16 0.12 115.64 122.41 1n88 s THR 27 Ca -0.04 1.98 0.07 0.00 0.31 0.00 0.00 61.69 64.01 1n88 s THR 27 Cb -0.18 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 1n88 s THR 27 CO -0.07 0.12 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.56 1n88 s PHE 28 N 1.25 2.02 -0.23 4.92 0.08 0.76 -2.68 117.98 124.10 1n88 s PHE 28 Ca 0.52 -0.66 -0.15 0.00 0.12 0.00 0.00 56.93 56.76 1n88 s PHE 28 Cb -0.21 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 1n88 s PHE 28 CO 0.26 0.33 0.38 -1.58 -0.10 0.00 0.00 175.22 174.51 1n88 s TRP 29 N -2.94 3.31 0.16 0.36 0.23 0.39 0.26 118.94 120.70 1n88 s TRP 29 Ca 0.30 0.51 0.01 0.00 -2.03 0.00 0.00 56.10 54.88 1n88 s TRP 29 Cb 0.03 -2.54 -0.04 0.00 0.03 0.00 0.00 33.47 30.95 1n88 s TRP 29 CO 0.13 -0.11 0.03 0.54 0.96 0.00 0.00 176.95 178.50 1n88 s VAL 30 N 1.65 0.42 0.51 4.03 0.11 -0.83 -1.10 120.40 125.20 1n88 s VAL 30 Ca 0.17 -1.95 -0.23 0.00 -2.93 0.00 0.00 61.98 57.04 1n88 s VAL 30 Cb -0.15 -2.10 -0.06 0.00 -1.53 0.00 0.00 36.38 32.53 1n88 s VAL 30 CO 0.08 -0.46 1.36 -1.00 -3.33 0.00 0.00 175.10 171.76 1n88 s HIS 31 N -3.83 2.39 -0.86 1.54 3.76 -1.22 -3.93 115.29 113.13 1n88 s HIS 31 Ca 0.24 1.36 -0.21 0.00 -0.15 0.00 0.00 55.06 56.30 1n88 s HIS 31 Cb 0.07 -3.80 -0.14 0.00 1.11 0.00 0.00 32.58 29.82 1n88 s HIS 31 CO 0.03 -2.79 1.95 -0.35 -0.85 0.00 0.00 174.74 172.73 1n88 n PRO 32 N -0.73 1.64 0.00 8.40 -0.04 -1.26 -2.73 135.00 140.28 1n88 n PRO 32 Ca 0.09 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1n88 n PRO 32 Cb 0.44 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 7.01 0.00 -1.54 0.54 -0.00 -1.26 -5.08 118.16 117.83 1n88 n LYS 33 Ca 0.50 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.52 1n88 n LYS 33 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.37 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n88 n ALA 34 N 0.00 0.61 -0.92 0.58 0.00 -1.10 -4.88 120.51 114.80 1n88 n ALA 34 Ca 0.00 -1.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.10 1n88 n ALA 34 Cb 0.00 -3.07 0.08 0.00 0.00 0.00 0.00 19.45 16.46 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 8.02 0.05 -0.34 0.00 -2.24 -1.26 -4.29 114.28 114.22 1n88 n THR 35 Ca 0.46 -0.35 0.18 0.00 -2.27 0.00 0.00 64.05 62.07 1n88 n THR 35 Cb 0.42 -0.31 0.40 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.23 0.50 -0.04 -0.78 1.57 -1.90 0.80 116.57 115.50 1n88 h LYS 36 Ca -0.44 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.07 1n88 h LYS 36 Cb 1.30 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.51 1n88 h LYS 36 CO 0.29 0.33 -0.96 1.15 -0.57 0.00 0.00 179.45 179.69 1n88 h THR 37 N 0.52 1.30 -0.70 -0.16 2.02 -1.90 -3.25 112.91 110.74 1n88 h THR 37 Ca 0.66 -2.22 0.08 0.00 0.77 0.00 0.00 66.41 65.70 1n88 h THR 37 Cb 1.30 2.29 -0.06 0.00 -1.74 0.00 0.00 68.15 69.94 1n88 h THR 37 CO -0.51 0.69 0.37 -0.33 0.37 0.00 0.00 175.52 176.11 1n88 h GLU 38 N 0.39 0.64 -0.27 6.66 5.08 -1.13 0.78 114.58 126.73 1n88 h GLU 38 Ca -0.10 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1n88 h GLU 38 Cb 1.60 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1n88 h GLU 38 CO 0.19 0.42 0.19 0.82 -1.00 0.00 0.00 179.01 179.63 1n88 h ILE 39 N 0.65 0.88 -0.83 3.13 2.04 -1.40 -1.99 117.51 119.99 1n88 h ILE 39 Ca 0.33 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 66.23 1n88 h ILE 39 Cb 0.29 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1n88 h ILE 39 CO -0.23 0.01 0.52 0.50 0.00 0.00 0.00 178.15 178.94 1n88 h LYS 40 N 0.03 0.94 -0.13 2.37 3.64 -0.89 -2.19 116.57 120.34 1n88 h LYS 40 Ca 0.13 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1n88 h LYS 40 Cb 0.47 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1n88 h LYS 40 CO -0.01 0.62 0.01 -0.91 -2.27 0.00 0.00 179.45 176.90 1n88 h ASN 41 N 0.97 -0.03 -0.09 4.20 2.35 -1.38 -1.80 115.58 119.81 1n88 h ASN 41 Ca 0.35 0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.91 1n88 h ASN 41 Cb 0.12 0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.54 1n88 h ASN 41 CO -0.15 0.01 -0.78 0.00 -1.65 0.00 0.00 177.43 174.85 1n88 h ALA 42 N 1.10 0.35 -0.38 -0.83 0.00 -1.64 -3.17 119.26 114.69 1n88 h ALA 42 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1n88 h ALA 42 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1n88 h ALA 42 CO -0.09 0.70 0.18 -0.24 0.00 0.00 0.00 179.25 179.80 1n88 h VAL 43 N 0.50 1.17 -0.93 0.00 3.04 -1.33 0.48 116.25 119.19 1n88 h VAL 43 Ca -0.05 -0.49 0.09 0.00 -1.01 0.00 0.00 66.70 65.24 1n88 h VAL 43 Cb 1.40 0.79 -0.07 0.00 -2.01 0.00 0.00 31.29 31.40 1n88 h VAL 43 CO 0.16 0.18 0.60 -0.08 -1.01 0.00 0.00 177.57 177.42 1n88 h GLU 44 N 0.48 0.95 0.10 4.17 4.22 -1.39 0.78 114.58 123.90 1n88 h GLU 44 Ca 0.13 -0.06 -0.15 0.00 0.08 0.00 0.00 59.36 59.36 1n88 h GLU 44 Cb 0.12 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.17 1n88 h GLU 44 CO -0.02 0.63 -0.65 1.79 -2.18 0.00 0.00 179.01 178.58 1n88 h THR 45 N 0.98 1.55 0.55 0.32 1.35 -1.43 -0.42 112.91 115.81 1n88 h THR 45 Ca 0.42 -2.44 -0.03 0.00 -0.55 0.00 0.00 66.41 63.81 1n88 h THR 45 Cb 0.32 3.15 0.01 0.00 -1.73 0.00 0.00 68.15 69.90 1n88 h THR 45 CO -0.18 0.68 -0.26 0.00 -0.25 0.00 0.00 175.52 175.51 1n88 h ALA 46 N 0.10 -0.77 0.00 6.62 0.00 0.36 -3.22 119.26 122.36 1n88 h ALA 46 Ca -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1n88 h ALA 46 Cb 1.49 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1n88 h ALA 46 CO 0.12 -0.71 -0.09 0.74 0.00 0.00 0.00 179.25 179.31 1n88 h PHE 47 N -1.14 0.00 -6.09 0.00 0.04 0.40 -3.47 116.94 106.69 1n88 h PHE 47 Ca -0.07 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.26 1n88 h PHE 47 Cb 0.56 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.76 1n88 h PHE 47 CO 0.01 0.09 -0.73 1.63 -0.60 0.00 0.00 178.31 178.71 1n88 n LYS 48 N -3.21 -6.58 -1.00 1.51 5.02 -0.17 -4.97 118.16 108.76 1n88 n LYS 48 Ca 0.01 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1n88 n LYS 48 Cb 0.38 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.73 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 -4.80 0.00 -3.69 -0.18 3.14 -1.23 -5.03 118.33 106.55 1n88 n VAL 49 Ca 0.01 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.00 1n88 n VAL 49 Cb 0.55 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.21 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 -0.51 2.92 0.16 1.45 2.36 -1.26 -4.77 119.74 120.09 1n88 s LYS 50 Ca 0.00 -0.99 -0.30 0.00 -2.55 0.00 0.00 55.97 52.13 1n88 s LYS 50 Cb 0.00 -3.55 -0.07 0.00 -1.05 0.00 0.00 37.83 33.16 1n88 s LYS 50 CO 0.00 -0.58 1.03 0.08 1.55 0.00 0.00 175.35 177.43 1n88 s VAL 51 N 1.51 4.12 0.00 4.02 1.01 -1.26 -3.72 120.40 126.09 1n88 s VAL 51 Ca 0.02 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1n88 s VAL 51 Cb -0.18 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1n88 s VAL 51 CO 0.05 0.31 0.12 0.52 0.00 0.00 0.00 175.10 176.09 1n88 n VAL 52 N 2.46 0.00 0.00 2.92 0.31 0.76 -4.78 118.33 120.00 1n88 n VAL 52 Ca 0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1n88 n VAL 52 Cb 0.47 1.18 0.00 0.00 -0.91 0.00 0.00 33.84 34.58 1n88 n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n88 n LYS 53 N -0.34 0.00 -4.91 5.55 4.81 -1.11 -4.88 118.16 117.28 1n88 n LYS 53 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1n88 n LYS 53 Cb 0.04 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.95 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1n88 s VAL 54 N 0.00 2.82 -0.14 3.15 1.01 -1.25 0.19 120.40 126.18 1n88 s VAL 54 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1n88 s VAL 54 Cb 0.00 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1n88 s VAL 54 CO 0.00 0.55 -0.03 0.20 0.00 0.00 0.00 175.10 175.82 1n88 s ASN 55 N 0.02 2.47 0.11 3.32 -0.87 0.82 -4.88 114.94 115.93 1n88 s ASN 55 Ca -0.06 -0.51 0.09 0.00 -1.57 0.00 0.00 52.86 50.82 1n88 s ASN 55 Cb -0.15 -0.74 -0.04 0.00 -0.02 0.00 0.00 41.25 40.31 1n88 s ASN 55 CO 0.05 -0.20 -0.19 0.28 -2.57 0.00 0.00 177.10 174.47 1n88 s THR 56 N 1.76 2.78 0.02 1.60 -1.32 -1.25 0.27 115.64 119.50 1n88 s THR 56 Ca 0.02 -1.49 0.04 0.00 -1.21 0.00 0.00 61.69 59.05 1n88 s THR 56 Cb -0.14 -2.26 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1n88 s THR 56 CO -0.07 0.13 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.57 1n88 s LEU 57 N -2.06 2.11 -0.30 9.08 1.02 -0.46 -4.91 118.68 123.16 1n88 s LEU 57 Ca 0.17 -0.36 -0.29 0.00 0.02 0.00 0.00 54.13 53.67 1n88 s LEU 57 Cb -0.11 -0.63 -0.01 0.00 0.02 0.00 0.00 46.19 45.47 1n88 s LEU 57 CO 0.09 0.08 1.58 -2.28 0.02 0.00 0.00 176.35 175.84 1n88 s HIS 58 N -0.63 2.17 -0.16 0.29 2.46 -1.26 -1.53 115.29 116.63 1n88 s HIS 58 Ca 0.03 0.63 -0.02 0.00 0.47 0.00 0.00 55.06 56.18 1n88 s HIS 58 Cb -0.07 -4.08 -0.01 0.00 -0.13 0.00 0.00 32.58 28.29 1n88 s HIS 58 CO 0.01 -2.58 -0.10 0.14 -2.47 0.00 0.00 174.74 169.74 1n88 s VAL 59 N 5.57 3.16 0.17 0.89 -7.23 0.72 -4.92 120.40 118.76 1n88 s VAL 59 Ca 0.69 -0.60 0.08 0.00 -1.81 0.00 0.00 61.98 60.35 1n88 s VAL 59 Cb -0.21 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1n88 s VAL 59 CO 0.30 0.49 -0.18 -0.13 -0.31 0.00 0.00 175.10 175.28 1n88 s ARG 60 N 0.76 1.28 -0.42 4.82 3.00 -1.26 -3.29 118.95 123.84 1n88 s ARG 60 Ca -0.04 -1.43 -0.44 0.00 0.00 0.00 0.00 55.73 53.82 1n88 s ARG 60 Cb -0.15 -1.31 -0.18 0.00 0.00 0.00 0.00 34.95 33.31 1n88 s ARG 60 CO 0.01 0.26 1.71 0.41 0.00 0.00 0.00 175.30 177.69 1n88 n GLY 61 N 0.22 0.42 0.04 -3.53 0.00 -1.26 -4.80 105.19 96.28 1n88 n GLY 61 Ca -0.13 0.99 0.07 0.00 0.00 0.00 0.00 46.02 46.95 1n88 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 62 N 4.86 0.65 -1.88 1.61 5.02 -1.26 -4.79 118.16 122.37 1n88 n LYS 62 Ca 0.31 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 56.09 1n88 n LYS 62 Cb 0.02 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 1n88 n LYS 62 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1n88 s LYS 63 N -3.31 4.19 -0.28 1.97 -2.85 -1.26 -3.93 119.74 114.26 1n88 s LYS 63 Ca -0.07 2.45 -0.10 0.00 -1.00 0.00 0.00 55.97 57.25 1n88 s LYS 63 Cb 0.12 -3.07 0.01 0.00 -2.06 0.00 0.00 37.83 32.83 1n88 s LYS 63 CO 0.88 -0.55 0.39 1.17 0.10 0.00 0.00 175.35 177.34 1n88 n LYS 64 N 2.39 -1.51 0.00 1.78 4.81 -1.26 -4.76 118.16 119.60 1n88 n LYS 64 Ca 0.08 1.53 0.00 0.00 -0.87 0.00 0.00 58.31 59.06 1n88 n LYS 64 Cb 0.39 -4.20 0.00 0.00 0.02 0.00 0.00 35.03 31.24 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 -0.41 0.00 -1.26 1.64 0.63 -1.25 -3.80 116.66 112.21 1n88 n ARG 65 Ca 0.07 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.59 1n88 n ARG 65 Cb 0.30 -0.38 -0.01 0.00 0.45 0.00 0.00 32.46 32.82 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 -1.14 -2.14 0.00 6.15 7.99 -1.26 -4.54 117.00 122.06 1n88 n LEU 66 Ca 0.00 0.88 0.08 0.00 -0.01 0.00 0.00 56.01 56.96 1n88 n LEU 66 Cb 0.00 -0.86 -0.02 0.00 -0.11 0.00 0.00 43.42 42.43 1n88 n LEU 66 CO 0.00 -3.54 -0.11 0.61 -1.51 0.00 0.00 177.39 172.84 1n88 n GLY 67 N 2.09 -2.09 2.97 -0.72 0.00 -1.26 -4.77 105.19 101.41 1n88 n GLY 67 Ca 0.13 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 1n88 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n88 n ARG 68 N -2.36 -1.94 -1.58 1.61 1.85 -1.26 -4.69 116.66 108.29 1n88 n ARG 68 Ca 0.00 -0.57 -0.51 0.00 -1.00 0.00 0.00 57.85 55.77 1n88 n ARG 68 Cb 0.28 -1.40 -0.05 0.00 -1.05 0.00 0.00 32.46 30.24 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1n88 n TYR 69 N -4.19 1.31 -2.68 2.89 9.36 -1.26 -4.86 117.16 117.73 1n88 n TYR 69 Ca 0.05 0.69 -0.02 0.00 3.32 0.00 0.00 57.90 61.94 1n88 n TYR 69 Cb 0.31 -2.28 0.12 0.00 -0.63 0.00 0.00 39.34 36.85 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1n88 n LEU 70 N 2.19 -1.27 0.00 2.98 7.94 -1.26 -5.09 117.00 122.49 1n88 n LEU 70 Ca 0.17 -3.23 0.00 0.00 -1.11 0.00 0.00 56.01 51.84 1n88 n LEU 70 Cb 0.22 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1n88 n LEU 70 CO 0.61 1.68 0.00 0.61 -1.11 0.00 0.00 177.39 179.19 1n88 n GLY 71 N -1.41 -0.17 3.47 -3.96 0.00 -1.25 -4.50 105.19 97.38 1n88 n GLY 71 Ca -0.15 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 1n88 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 72 N 2.83 1.29 -0.46 1.61 1.02 -1.26 -5.12 119.74 119.64 1n88 s LYS 72 Ca 0.00 -0.51 0.06 0.00 0.02 0.00 0.00 55.97 55.54 1n88 s LYS 72 Cb 0.00 0.57 0.18 0.00 -0.52 0.00 0.00 37.83 38.06 1n88 s LYS 72 CO 0.00 -0.57 0.55 1.03 -0.92 0.00 0.00 175.35 175.45 1n88 s ARG 73 N -3.71 0.95 0.00 1.68 0.52 -1.26 -4.45 118.95 112.69 1n88 s ARG 73 Ca 0.02 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1n88 s ARG 73 Cb -0.01 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.89 1n88 s ARG 73 CO -0.11 -1.32 0.00 -0.35 0.02 0.00 0.00 175.30 173.54 1n88 n PRO 74 N 3.16 0.28 -3.78 3.54 -0.04 -1.26 -4.99 135.00 131.92 1n88 n PRO 74 Ca 0.21 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.32 1n88 n PRO 74 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.28 5.01 -0.15 3.54 1.01 -1.26 -4.78 116.67 118.76 1n88 s ASP 75 Ca 0.00 -2.96 0.01 0.00 0.71 0.00 0.00 52.55 50.31 1n88 s ASP 75 Cb 0.00 -1.80 0.02 0.00 1.01 0.00 0.00 42.92 42.15 1n88 s ASP 75 CO 0.00 -0.32 -0.18 -0.60 0.21 0.00 0.00 175.17 174.29 1n88 s ARG 76 N -0.22 2.62 0.01 8.23 3.52 -1.21 -4.37 118.95 127.54 1n88 s ARG 76 Ca 0.18 -0.69 0.07 0.00 -0.13 0.00 0.00 55.73 55.15 1n88 s ARG 76 Cb -0.21 -2.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1n88 s ARG 76 CO -0.03 -0.15 -0.22 -1.59 -0.81 0.00 0.00 175.30 172.50 1n88 s LYS 77 N 1.20 1.66 0.08 5.12 -2.85 -1.25 0.26 119.74 123.97 1n88 s LYS 77 Ca 0.00 -0.86 0.01 0.00 -1.00 0.00 0.00 55.97 54.13 1n88 s LYS 77 Cb -0.14 -1.68 -0.04 0.00 -2.06 0.00 0.00 37.83 33.91 1n88 s LYS 77 CO -0.08 0.45 0.20 -1.59 0.10 0.00 0.00 175.35 174.43 1n88 s LYS 78 N -0.77 3.34 -0.21 1.78 -2.85 -0.58 -1.96 119.74 118.49 1n88 s LYS 78 Ca 0.08 -0.52 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 1n88 s LYS 78 Cb -0.09 -2.97 0.01 0.00 -2.06 0.00 0.00 37.83 32.73 1n88 s LYS 78 CO 0.00 0.58 -0.10 0.00 0.10 0.00 0.00 175.35 175.93 1n88 s ALA 79 N -1.55 2.62 -0.41 0.59 0.00 0.74 -1.36 121.76 122.39 1n88 s ALA 79 Ca 0.34 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1n88 s ALA 79 Cb -0.12 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1n88 s ALA 79 CO 0.27 -0.50 0.50 0.42 0.00 0.00 0.00 175.76 176.45 1n88 s ILE 80 N 1.37 5.01 -0.05 0.00 1.01 0.76 0.27 121.20 129.56 1n88 s ILE 80 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1n88 s ILE 80 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1n88 s ILE 80 CO -0.07 -0.43 0.12 -0.69 0.00 0.00 0.00 174.94 173.87 1n88 s VAL 81 N 2.36 5.12 0.13 2.92 1.01 0.32 0.28 120.40 132.54 1n88 s VAL 81 Ca 0.16 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.11 1n88 s VAL 81 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1n88 s VAL 81 CO 0.15 0.46 -0.18 -1.58 0.00 0.00 0.00 175.10 173.95 1n88 s GLN 82 N -1.46 1.78 0.17 2.72 2.00 0.51 0.23 119.66 125.62 1n88 s GLN 82 Ca 0.20 -1.21 0.09 0.00 -2.00 0.00 0.00 55.36 52.44 1n88 s GLN 82 Cb -0.12 -2.09 -0.04 0.00 0.80 0.00 0.00 33.01 31.55 1n88 s GLN 82 CO 0.11 0.47 -0.18 0.14 -0.50 0.00 0.00 175.29 175.33 1n88 s VAL 83 N -1.21 1.84 0.92 1.34 -7.23 -1.17 0.27 120.40 115.16 1n88 s VAL 83 Ca 0.18 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 1n88 s VAL 83 Cb -0.10 -1.88 0.13 0.00 0.56 0.00 0.00 36.38 35.08 1n88 s VAL 83 CO 0.10 -0.34 0.19 0.00 -0.31 0.00 0.00 175.10 174.75 1n88 n ALA 84 N 0.21 0.02 -1.77 1.32 0.00 -1.24 -4.82 120.51 114.23 1n88 n ALA 84 Ca -0.12 -0.87 -0.39 0.00 0.00 0.00 0.00 53.44 52.06 1n88 n ALA 84 Cb 0.57 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.16 4.39 0.00 0.00 0.04 -1.26 -3.42 135.00 131.58 1n88 s PRO 85 Ca 0.30 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1n88 s PRO 85 Cb -0.04 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1n88 s PRO 85 CO 0.29 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1n88 n GLY 86 N 0.80 2.55 3.62 0.56 0.00 -1.26 -5.01 105.19 106.44 1n88 n GLY 86 Ca 0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -0.97 0.00 1.61 -0.21 -1.22 -5.07 119.66 113.80 1n88 s GLN 87 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1n88 s GLN 87 Cb 0.00 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.39 1n88 s GLN 87 CO 0.00 -3.56 0.00 1.17 -2.12 0.00 0.00 175.29 170.78 1n88 n LYS 88 N -4.66 0.00 -1.53 2.91 3.00 -1.26 -4.97 118.16 111.66 1n88 n LYS 88 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.29 1n88 n LYS 88 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.52 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 0.00 0.11 3.15 5.41 -1.26 -4.67 119.36 122.10 1n88 n ILE 89 Ca 0.00 -0.41 0.07 0.00 1.00 0.00 0.00 62.75 63.41 1n88 n ILE 89 Cb 0.00 -1.60 0.36 0.00 -0.71 0.00 0.00 39.64 37.69 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 7.98 0.09 -0.14 0.38 0.28 -1.26 -2.36 120.64 125.61 1n88 n GLU 90 Ca 0.47 0.56 0.16 0.00 -0.16 0.00 0.00 57.16 58.20 1n88 n GLU 90 Cb 0.40 -1.85 0.54 0.00 1.43 0.00 0.00 31.44 31.96 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 1.80 2.19 0.00 -1.84 0.00 -1.96 -2.49 119.26 116.96 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 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n88 h ALA 91 CO 0.00 -0.39 -1.77 1.28 0.00 0.00 0.00 179.25 178.37 1n88 n LEU 92 N -4.46 0.00 -0.19 0.00 4.77 -0.99 -4.29 117.00 111.84 1n88 n LEU 92 Ca 0.14 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.31 1n88 n LEU 92 Cb 0.55 0.10 0.54 0.00 -2.33 0.00 0.00 43.42 42.29 1n88 n LEU 92 CO 0.33 0.10 1.22 -0.33 -1.33 0.00 0.00 177.39 177.39 1n88 h GLU 93 N 0.00 0.33 -0.46 3.23 4.39 -1.46 0.35 114.58 120.97 1n88 h GLU 93 Ca -0.11 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1n88 h GLU 93 Cb 1.04 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1n88 h GLU 93 CO 0.01 0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.48 1n88 n GLY 94 N -1.55 1.86 0.17 -3.84 0.00 -1.17 -4.23 105.19 96.43 1n88 n GLY 94 Ca 0.17 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.48 1n88 n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n88 h LEU 95 N 4.43 0.00 0.00 0.99 5.85 -0.47 -3.52 115.31 122.59 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 0.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1n88 h LEU 95 CO 0.00 0.44 0.00 -0.38 -0.34 0.00 0.00 178.44 178.16