#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 0.78 0.00 2.12 0.00 -1.26 -4.51 118.16 115.29 1n88 n LYS 2 Ca 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 58.31 56.46 1n88 n LYS 2 Cb 0.00 -3.47 0.00 0.00 -0.00 0.00 0.00 35.03 31.56 1n88 n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1n88 n THR 3 N 7.85 0.00 -0.01 0.58 -2.24 -1.26 -4.26 114.28 114.94 1n88 n THR 3 Ca 0.45 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1n88 n THR 3 Cb 0.45 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n88 h ALA 4 N 1.00 0.68 -1.17 6.98 0.00 -1.76 -2.67 119.26 122.33 1n88 h ALA 4 Ca 0.00 -1.38 0.34 0.00 0.00 0.00 0.00 54.91 53.87 1n88 h ALA 4 Cb 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1n88 h ALA 4 CO 0.00 1.51 0.96 2.48 0.00 0.00 0.00 179.25 184.20 1n88 n TYR 5 N -3.13 0.00 0.03 0.00 4.11 -1.26 -3.97 117.16 112.93 1n88 n TYR 5 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 1n88 n TYR 5 Cb 1.04 -0.29 0.00 0.00 -0.00 0.00 0.00 39.34 40.09 1n88 n TYR 5 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1n88 n ASP 6 N -3.11 -0.45 -0.05 9.48 8.00 -1.26 -4.97 116.55 124.19 1n88 n ASP 6 Ca 0.26 0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.85 1n88 n ASP 6 Cb 1.31 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 43.17 1n88 n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1n88 h VAL 7 N 0.00 0.00 -3.52 2.53 2.07 -1.71 -3.32 116.25 112.30 1n88 h VAL 7 Ca 0.00 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.84 1n88 h VAL 7 Cb 0.00 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 29.40 1n88 h VAL 7 CO 0.00 0.00 -0.53 -0.63 0.02 0.00 0.00 177.57 176.43 1n88 s ILE 8 N -3.53 3.16 0.00 4.57 1.01 -1.01 -3.51 121.20 121.89 1n88 s ILE 8 Ca -0.03 -2.58 0.00 0.00 0.00 0.00 0.00 60.65 58.04 1n88 s ILE 8 Cb 0.02 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1n88 s ILE 8 CO 0.13 -0.75 0.00 0.18 0.00 0.00 0.00 174.94 174.49 1n88 n LEU 9 N 3.96 0.00 -4.83 2.97 4.77 -1.08 -4.35 117.00 118.44 1n88 n LEU 9 Ca 0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 1n88 n LEU 9 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1n88 n LEU 9 CO 0.32 0.00 -0.08 0.00 -1.33 0.00 0.00 177.39 176.30 1n88 s ALA 10 N -3.90 3.83 0.96 -1.18 0.00 -1.26 -4.92 121.76 115.29 1n88 s ALA 10 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.02 1n88 s ALA 10 Cb 0.00 -0.96 0.17 0.00 0.00 0.00 0.00 23.12 22.33 1n88 s ALA 10 CO 0.00 -0.09 1.14 -1.25 0.00 0.00 0.00 175.76 175.56 1n88 s PRO 11 N -4.01 0.73 0.02 0.00 0.04 -1.26 -2.79 135.00 127.73 1n88 s PRO 11 Ca 0.43 0.26 0.06 0.00 0.04 0.00 0.00 61.00 61.79 1n88 s PRO 11 Cb -0.03 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1n88 s PRO 11 CO 0.26 -2.47 -0.16 0.14 0.04 0.00 0.00 177.00 174.80 1n88 s VAL 12 N -3.22 2.91 -0.42 -0.36 -7.23 -1.23 -4.81 120.40 106.04 1n88 s VAL 12 Ca 0.65 -1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 59.62 1n88 s VAL 12 Cb -0.15 -2.22 0.05 0.00 0.56 0.00 0.00 36.38 34.63 1n88 s VAL 12 CO 0.54 0.38 0.29 -0.76 -0.31 0.00 0.00 175.10 175.25 1n88 s LEU 13 N -1.34 5.17 -0.28 1.32 2.01 -1.26 -4.92 118.68 119.38 1n88 s LEU 13 Ca 0.14 -1.19 -0.20 0.00 0.01 0.00 0.00 54.13 52.90 1n88 s LEU 13 Cb -0.11 -2.09 0.11 0.00 0.01 0.00 0.00 46.19 44.11 1n88 s LEU 13 CO 0.05 -0.51 0.87 -0.44 1.01 0.00 0.00 176.35 177.33 1n88 s SER 14 N 2.01 -0.64 0.15 2.29 0.01 -1.26 -4.99 113.70 111.27 1n88 s SER 14 Ca 0.03 1.12 -0.31 0.00 1.31 0.00 0.00 55.95 58.11 1n88 s SER 14 Cb -0.21 1.21 -0.06 0.00 0.21 0.00 0.00 66.02 67.16 1n88 s SER 14 CO 0.06 -0.18 1.55 -0.33 0.41 0.00 0.00 173.24 174.75 1n88 h GLU 15 N 5.55 -0.18 0.00 12.44 5.08 -1.99 2.08 114.58 137.56 1n88 h GLU 15 Ca -0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1n88 h GLU 15 Cb 1.19 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1n88 h GLU 15 CO 0.13 -0.12 0.19 0.87 -1.00 0.00 0.00 179.01 179.08 1n88 h LYS 16 N -0.18 0.00 -0.64 2.33 1.57 -2.00 0.53 116.57 118.18 1n88 h LYS 16 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1n88 h LYS 16 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1n88 h LYS 16 CO -0.78 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.10 1n88 n ALA 17 N -1.81 3.35 0.00 3.86 0.00 0.70 -4.12 120.51 122.48 1n88 n ALA 17 Ca -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1n88 n ALA 17 Cb 0.23 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.77 0.00 -0.05 0.00 4.01 0.17 -4.27 117.16 117.80 1n88 n TYR 18 Ca 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.96 1n88 n TYR 18 Cb 0.93 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.22 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 0.03 -0.72 0.00 -1.36 1.56 119.26 120.09 1n88 h ALA 19 Ca 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.36 1n88 h ALA 19 Cb 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1n88 h ALA 19 CO 0.00 0.47 -2.17 0.41 0.00 0.00 0.00 179.25 177.96 1n88 n GLY 20 N -0.89 -0.73 0.23 0.00 0.00 -1.26 -3.84 105.19 98.70 1n88 n GLY 20 Ca 0.02 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.99 1n88 n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n88 h PHE 21 N 0.02 0.00 0.00 1.61 3.04 -1.65 -2.21 116.94 117.75 1n88 h PHE 21 Ca -0.47 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.48 1n88 h PHE 21 Cb 2.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.56 1n88 h PHE 21 CO 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.32 1n88 h ALA 22 N 2.09 1.00 -0.28 2.41 0.00 0.21 -2.57 119.26 122.12 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 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1n88 h ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.34 1n88 n GLU 23 N -2.62 2.37 0.00 0.00 4.07 -0.83 -4.78 120.64 118.85 1n88 n GLU 23 Ca 0.02 -1.31 0.00 0.00 -0.06 0.00 0.00 57.16 55.81 1n88 n GLU 23 Cb 0.27 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n88 n GLY 24 N 0.54 0.47 3.75 8.31 0.00 -1.00 -4.86 105.19 112.41 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 -0.90 4.62 -0.17 1.61 1.02 -1.03 -2.78 119.74 122.11 1n88 s LYS 25 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.25 1n88 s LYS 25 Cb 0.00 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1n88 s LYS 25 CO 0.00 0.35 -0.09 0.71 -0.92 0.00 0.00 175.35 175.41 1n88 s TYR 26 N -0.42 2.02 0.21 3.18 2.02 0.71 -4.06 117.35 121.01 1n88 s TYR 26 Ca 0.41 -1.27 -0.25 0.00 -0.37 0.00 0.00 57.07 55.59 1n88 s TYR 26 Cb -0.23 -1.47 -0.08 0.00 -0.40 0.00 0.00 41.96 39.78 1n88 s TYR 26 CO 0.27 -0.66 0.81 0.99 -1.57 0.00 0.00 175.55 175.39 1n88 s THR 27 N 1.53 4.34 0.18 -0.71 2.01 -1.20 0.12 115.64 121.91 1n88 s THR 27 Ca 0.01 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.74 1n88 s THR 27 Cb -0.15 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1n88 s THR 27 CO -0.08 0.42 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.90 1n88 s PHE 28 N -1.27 1.27 -0.25 4.92 0.08 0.65 -3.51 117.98 119.87 1n88 s PHE 28 Ca 0.39 -0.99 -0.14 0.00 0.12 0.00 0.00 56.93 56.32 1n88 s PHE 28 Cb -0.22 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 1n88 s PHE 28 CO 0.26 -0.17 0.30 -1.58 -0.10 0.00 0.00 175.22 173.93 1n88 s TRP 29 N -3.60 3.29 0.14 0.36 0.23 -1.12 0.47 118.94 118.70 1n88 s TRP 29 Ca 0.24 0.37 -0.00 0.00 -2.03 0.00 0.00 56.10 54.68 1n88 s TRP 29 Cb 0.06 -2.46 -0.04 0.00 0.03 0.00 0.00 33.47 31.05 1n88 s TRP 29 CO 0.05 -0.10 0.04 0.54 0.96 0.00 0.00 176.95 178.43 1n88 s VAL 30 N 1.62 0.25 0.46 4.03 0.11 0.69 -2.65 120.40 124.91 1n88 s VAL 30 Ca 0.13 -1.92 -0.17 0.00 -2.93 0.00 0.00 61.98 57.09 1n88 s VAL 30 Cb -0.15 -2.04 -0.09 0.00 -1.53 0.00 0.00 36.38 32.57 1n88 s VAL 30 CO 0.08 -0.49 0.93 -2.28 -3.33 0.00 0.00 175.10 170.02 1n88 s HIS 31 N -3.94 3.41 -0.83 1.54 2.46 -1.25 -3.20 115.29 113.46 1n88 s HIS 31 Ca 0.23 1.44 -0.15 0.00 0.47 0.00 0.00 55.06 57.06 1n88 s HIS 31 Cb 0.07 -2.75 -0.11 0.00 -0.13 0.00 0.00 32.58 29.66 1n88 s HIS 31 CO 0.02 -0.23 2.00 -0.35 -2.47 0.00 0.00 174.74 173.71 1n88 n PRO 32 N -1.18 1.75 0.00 2.88 -0.04 -1.26 -2.49 135.00 134.66 1n88 n PRO 32 Ca 0.06 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1n88 n PRO 32 Cb 0.54 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 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 5.79 0.00 -1.51 0.54 -0.00 -1.26 -5.07 118.16 116.65 1n88 n LYS 33 Ca 0.47 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.46 1n88 n LYS 33 Cb 0.28 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.14 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 0.66 -1.41 0.58 0.00 -1.04 -4.72 120.51 114.58 1n88 n ALA 34 Ca 0.00 -0.60 -0.53 0.00 0.00 0.00 0.00 53.44 52.31 1n88 n ALA 34 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 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 6.81 0.83 -0.25 0.00 -2.24 -1.26 -4.58 114.28 113.59 1n88 n THR 35 Ca 0.64 -0.21 0.04 0.00 -2.27 0.00 0.00 64.05 62.25 1n88 n THR 35 Cb 0.13 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.50 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 2.08 0.09 -0.84 -0.78 1.57 -1.98 0.46 116.57 117.17 1n88 h LYS 36 Ca -0.40 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1n88 h LYS 36 Cb 1.39 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.64 1n88 h LYS 36 CO 0.60 0.06 0.42 1.15 -0.57 0.00 0.00 179.45 181.11 1n88 h THR 37 N 0.09 1.25 -0.94 -0.16 2.02 -1.95 -1.85 112.91 111.38 1n88 h THR 37 Ca 0.39 -0.68 0.09 0.00 0.77 0.00 0.00 66.41 66.98 1n88 h THR 37 Cb 0.66 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 1n88 h THR 37 CO -0.65 0.30 0.58 -0.33 0.37 0.00 0.00 175.52 175.79 1n88 h GLU 38 N 1.19 0.96 -0.28 6.66 5.08 -0.44 0.28 114.58 128.02 1n88 h GLU 38 Ca 0.29 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1n88 h GLU 38 Cb 0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1n88 h GLU 38 CO -0.04 0.63 0.20 0.82 -1.00 0.00 0.00 179.01 179.62 1n88 h ILE 39 N 0.99 0.92 -0.29 3.13 2.04 -0.36 -1.15 117.51 122.80 1n88 h ILE 39 Ca 0.44 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.26 1n88 h ILE 39 Cb 0.33 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1n88 h ILE 39 CO -0.22 0.02 0.18 0.50 0.00 0.00 0.00 178.15 178.63 1n88 h LYS 40 N 0.13 0.35 -0.08 2.37 3.64 -0.31 -2.70 116.57 119.97 1n88 h LYS 40 Ca 0.13 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 1n88 h LYS 40 Cb 0.35 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1n88 h LYS 40 CO -0.02 0.23 -0.67 -0.91 -2.27 0.00 0.00 179.45 175.82 1n88 h ASN 41 N 0.36 0.39 -0.06 4.20 2.35 -1.17 -2.88 115.58 118.77 1n88 h ASN 41 Ca 0.11 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1n88 h ASN 41 Cb -0.02 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1n88 h ASN 41 CO -0.04 0.94 -0.05 0.00 -1.65 0.00 0.00 177.43 176.64 1n88 h ALA 42 N 1.05 0.01 -0.16 -0.83 0.00 -0.96 1.04 119.26 119.42 1n88 h ALA 42 Ca -0.02 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1n88 h ALA 42 Cb 1.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1n88 h ALA 42 CO 0.11 -0.52 -0.29 -0.39 0.00 0.00 0.00 179.25 178.15 1n88 h VAL 43 N -0.05 1.26 -0.24 0.00 -1.51 -1.56 1.08 116.25 115.23 1n88 h VAL 43 Ca 0.04 -1.26 -0.08 0.00 -1.23 0.00 0.00 66.70 64.17 1n88 h VAL 43 Cb 0.11 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1n88 h VAL 43 CO -0.09 0.39 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.13 1n88 h GLU 44 N 0.26 0.54 0.00 5.19 4.39 -1.11 2.14 114.58 125.99 1n88 h GLU 44 Ca 0.04 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1n88 h GLU 44 Cb 0.66 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1n88 h GLU 44 CO 0.05 0.83 0.00 1.15 -1.16 0.00 0.00 179.01 179.88 1n88 h THR 45 N 0.25 0.00 0.00 1.13 2.02 0.14 -2.07 112.91 114.37 1n88 h THR 45 Ca 0.05 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1n88 h THR 45 Cb 0.70 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1n88 h THR 45 CO 0.05 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.73 1n88 n ALA 46 N -1.89 0.81 0.24 6.16 0.00 0.37 -4.65 120.51 121.56 1n88 n ALA 46 Ca 0.05 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.31 1n88 n ALA 46 Cb 0.44 0.02 0.52 0.00 0.00 0.00 0.00 19.45 20.43 1n88 n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1n88 h PHE 47 N -0.20 0.00 -4.71 0.00 0.04 0.32 -3.47 116.94 108.91 1n88 h PHE 47 Ca 0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 1n88 h PHE 47 Cb 0.20 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.47 1n88 h PHE 47 CO -0.09 0.11 -0.56 1.63 -0.60 0.00 0.00 178.31 178.81 1n88 n LYS 48 N -3.23 -5.36 0.00 1.51 4.76 0.52 -4.96 118.16 111.39 1n88 n LYS 48 Ca 0.01 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 1n88 n LYS 48 Cb 0.39 -5.04 0.00 0.00 -1.84 0.00 0.00 35.03 28.54 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 -3.73 0.00 -3.98 -0.18 3.14 -1.25 -5.01 118.33 107.32 1n88 n VAL 49 Ca -0.14 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.91 1n88 n VAL 49 Cb 0.60 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.24 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 1.10 2.39 -0.20 1.45 2.36 -1.26 -4.68 119.74 120.90 1n88 s LYS 50 Ca 0.00 -1.28 -0.29 0.00 -2.55 0.00 0.00 55.97 51.85 1n88 s LYS 50 Cb 0.00 -3.05 0.00 0.00 -1.05 0.00 0.00 37.83 33.74 1n88 s LYS 50 CO 0.00 -0.58 1.10 0.08 1.55 0.00 0.00 175.35 177.49 1n88 s VAL 51 N 1.20 4.58 -0.94 4.02 1.01 -1.26 -3.34 120.40 125.67 1n88 s VAL 51 Ca -0.06 1.90 0.08 0.00 0.00 0.00 0.00 61.98 63.90 1n88 s VAL 51 Cb -0.20 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.09 1n88 s VAL 51 CO -0.03 -0.16 0.94 0.55 0.00 0.00 0.00 175.10 176.40 1n88 n VAL 52 N 5.28 0.39 0.00 2.92 3.14 0.17 -4.85 118.33 125.37 1n88 n VAL 52 Ca 0.12 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 1n88 n VAL 52 Cb 0.46 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.16 1n88 n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1n88 n LYS 53 N 0.41 0.00 -4.78 1.45 5.02 -1.17 -4.91 118.16 114.17 1n88 n LYS 53 Ca 0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 1n88 n LYS 53 Cb 0.28 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.15 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n88 s VAL 54 N 0.00 3.09 -0.15 -0.18 1.01 -1.26 0.28 120.40 123.20 1n88 s VAL 54 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1n88 s VAL 54 Cb 0.00 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1n88 s VAL 54 CO 0.00 0.53 -0.03 0.21 0.00 0.00 0.00 175.10 175.81 1n88 s ASN 55 N 0.20 2.52 0.29 3.32 2.47 0.72 -4.91 114.94 119.55 1n88 s ASN 55 Ca -0.08 -0.53 0.10 0.00 0.42 0.00 0.00 52.86 52.78 1n88 s ASN 55 Cb -0.15 -0.77 -0.05 0.00 -1.45 0.00 0.00 41.25 38.83 1n88 s ASN 55 CO 0.05 -0.20 -0.08 0.28 -3.72 0.00 0.00 177.10 173.44 1n88 s THR 56 N 1.74 2.84 0.28 -5.21 -1.32 -1.25 0.28 115.64 113.00 1n88 s THR 56 Ca 0.02 -2.12 -0.17 0.00 -1.21 0.00 0.00 61.69 58.20 1n88 s THR 56 Cb -0.15 -2.62 0.01 0.00 -1.51 0.00 0.00 72.50 68.23 1n88 s THR 56 CO -0.07 -0.34 0.63 -1.48 -2.21 0.00 0.00 174.62 171.15 1n88 s LEU 57 N -3.62 0.01 -0.01 9.08 0.05 0.92 -4.91 118.68 120.20 1n88 s LEU 57 Ca 0.32 -0.79 -0.29 0.00 0.05 0.00 0.00 54.13 53.42 1n88 s LEU 57 Cb -0.04 2.35 -0.03 0.00 -2.05 0.00 0.00 46.19 46.42 1n88 s LEU 57 CO 0.18 -1.30 0.95 -1.00 -0.55 0.00 0.00 176.35 174.63 1n88 s HIS 58 N -3.82 3.64 -0.13 3.48 3.76 -1.26 0.94 115.29 121.90 1n88 s HIS 58 Ca 0.16 1.64 0.03 0.00 -0.15 0.00 0.00 55.06 56.74 1n88 s HIS 58 Cb -0.04 -3.09 0.01 0.00 1.11 0.00 0.00 32.58 30.57 1n88 s HIS 58 CO 0.08 -0.01 -0.22 0.14 -0.85 0.00 0.00 174.74 173.88 1n88 s VAL 59 N 1.04 2.04 -0.12 -0.90 -7.23 0.69 -4.86 120.40 111.06 1n88 s VAL 59 Ca 0.50 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1n88 s VAL 59 Cb -0.20 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 1n88 s VAL 59 CO 0.26 0.55 -0.15 -0.13 -0.31 0.00 0.00 175.10 175.32 1n88 s ARG 60 N 0.73 3.24 -0.09 4.82 1.81 -1.26 -3.24 118.95 124.95 1n88 s ARG 60 Ca -0.09 -0.72 -0.02 0.00 -1.72 0.00 0.00 55.73 53.18 1n88 s ARG 60 Cb -0.16 -2.56 -0.03 0.00 -0.45 0.00 0.00 34.95 31.75 1n88 s ARG 60 CO 0.00 0.25 -0.01 0.20 -0.68 0.00 0.00 175.30 175.06 1n88 s GLY 61 N 0.23 1.81 0.00 -3.53 0.00 -1.26 -4.98 107.32 99.59 1n88 s GLY 61 Ca -0.10 -0.82 0.30 0.00 0.00 0.00 0.00 44.72 44.11 1n88 s GLY 61 CO 0.06 -0.51 2.12 0.28 0.00 0.00 0.00 173.10 175.05 1n88 n LYS 62 N 2.36 0.74 -4.54 2.90 5.02 -1.26 -4.56 118.16 118.82 1n88 n LYS 62 Ca -0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.80 1n88 n LYS 62 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1n88 n LYS 62 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1n88 s LYS 63 N -2.24 2.20 -1.09 1.97 1.02 -1.26 -4.65 119.74 115.69 1n88 s LYS 63 Ca 0.39 -2.28 0.00 0.00 0.02 0.00 0.00 55.97 54.10 1n88 s LYS 63 Cb 0.21 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1n88 s LYS 63 CO 0.40 -0.39 0.00 1.17 -0.92 0.00 0.00 175.35 175.61 1n88 n LYS 64 N -1.35 -1.80 -0.08 1.68 4.81 -1.26 -4.75 118.16 115.41 1n88 n LYS 64 Ca -0.14 0.61 -0.07 0.00 -0.87 0.00 0.00 58.31 57.84 1n88 n LYS 64 Cb 0.66 -5.03 -0.12 0.00 0.02 0.00 0.00 35.03 30.56 1n88 n LYS 64 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1n88 n ARG 65 N -2.30 1.43 -1.50 1.64 1.85 -1.26 -4.92 116.66 111.59 1n88 n ARG 65 Ca -0.13 -0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.31 1n88 n ARG 65 Cb 0.50 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.37 1n88 n ARG 65 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1n88 n LEU 66 N -2.57 0.48 -3.64 2.89 -0.00 -1.26 -3.19 117.00 109.71 1n88 n LEU 66 Ca -0.25 0.12 -0.02 0.00 -0.00 0.00 0.00 56.01 55.86 1n88 n LEU 66 Cb 1.00 -0.98 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 1n88 n LEU 66 CO 0.33 -0.80 1.17 -0.83 -0.00 0.00 0.00 177.39 177.26 1n88 s GLY 67 N 9.26 -0.07 0.80 -3.96 0.00 -1.26 -5.00 107.32 107.10 1n88 s GLY 67 Ca 1.32 2.32 -0.04 0.00 0.00 0.00 0.00 44.72 48.32 1n88 s GLY 67 CO 0.47 0.84 1.10 0.50 0.00 0.00 0.00 173.10 176.01 1n88 s ARG 68 N -1.60 1.28 0.05 2.90 0.52 -1.26 -4.11 118.95 116.73 1n88 s ARG 68 Ca 0.11 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 1n88 s ARG 68 Cb -0.01 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1n88 s ARG 68 CO -0.05 -1.79 0.00 2.48 0.02 0.00 0.00 175.30 175.96 1n88 n TYR 69 N -3.11 -2.70 -4.42 -0.53 0.18 -1.26 -3.77 117.16 101.56 1n88 n TYR 69 Ca 0.16 1.61 -0.40 0.00 1.88 0.00 0.00 57.90 61.15 1n88 n TYR 69 Cb 0.60 -2.44 -0.06 0.00 -0.38 0.00 0.00 39.34 37.06 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1n88 n LEU 70 N 1.87 -1.19 0.00 -3.48 -0.00 -1.26 -4.91 117.00 108.03 1n88 n LEU 70 Ca 0.00 -1.15 -0.16 0.00 -0.00 0.00 0.00 56.01 54.69 1n88 n LEU 70 Cb 0.00 -1.80 0.06 0.00 -0.00 0.00 0.00 43.42 41.68 1n88 n LEU 70 CO 0.00 0.18 0.31 0.61 -0.00 0.00 0.00 177.39 178.50 1n88 n GLY 71 N -1.22 1.93 2.27 -3.96 0.00 -1.25 -4.64 105.19 98.32 1n88 n GLY 71 Ca 0.10 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.08 -4.51 -3.46 1.61 5.02 -1.19 -4.53 118.16 109.03 1n88 n LYS 72 Ca 0.14 3.25 -0.30 0.00 -2.02 0.00 0.00 58.31 59.38 1n88 n LYS 72 Cb 0.50 -4.06 0.02 0.00 -0.02 0.00 0.00 35.03 31.47 1n88 n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1n88 n ARG 73 N 1.89 -1.88 0.00 1.97 0.63 -1.26 -4.96 116.66 113.04 1n88 n ARG 73 Ca 0.00 1.39 0.00 0.00 -0.92 0.00 0.00 57.85 58.32 1n88 n ARG 73 Cb 0.00 -2.81 0.00 0.00 0.45 0.00 0.00 32.46 30.10 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1n88 n PRO 74 N -0.82 0.37 -3.78 -0.14 -0.04 -1.26 -5.01 135.00 124.31 1n88 n PRO 74 Ca -0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.01 1n88 n PRO 74 Cb 0.65 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.00 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 -1.13 5.00 -0.06 3.54 1.11 -1.26 -4.82 116.67 119.05 1n88 s ASP 75 Ca 0.00 -2.99 -0.04 0.00 0.18 0.00 0.00 52.55 49.71 1n88 s ASP 75 Cb 0.00 -1.79 -0.04 0.00 1.07 0.00 0.00 42.92 42.16 1n88 s ASP 75 CO 0.00 -0.31 0.12 -0.13 1.18 0.00 0.00 175.17 176.03 1n88 s ARG 76 N -0.26 3.30 -0.07 8.23 3.00 -1.20 -4.73 118.95 127.23 1n88 s ARG 76 Ca 0.18 -0.30 0.05 0.00 0.00 0.00 0.00 55.73 55.66 1n88 s ARG 76 Cb -0.21 -3.04 -0.01 0.00 0.00 0.00 0.00 34.95 31.70 1n88 s ARG 76 CO -0.03 0.71 -0.24 0.21 0.00 0.00 0.00 175.30 175.95 1n88 s LYS 77 N -1.45 2.58 0.12 3.54 2.20 -1.19 0.25 119.74 125.79 1n88 s LYS 77 Ca 0.20 -0.85 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 1n88 s LYS 77 Cb -0.12 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 1n88 s LYS 77 CO 0.11 0.30 -0.02 0.15 -0.36 0.00 0.00 175.35 175.53 1n88 s LYS 78 N 0.02 2.42 -0.16 4.03 1.02 0.27 -0.23 119.74 127.11 1n88 s LYS 78 Ca -0.08 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 54.95 1n88 s LYS 78 Cb -0.15 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1n88 s LYS 78 CO 0.05 0.51 -0.16 0.00 -0.92 0.00 0.00 175.35 174.83 1n88 s ALA 79 N -1.42 2.01 -0.37 5.17 0.00 0.18 -0.05 121.76 127.27 1n88 s ALA 79 Ca 0.25 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1n88 s ALA 79 Cb -0.11 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1n88 s ALA 79 CO 0.17 -0.39 0.23 0.42 0.00 0.00 0.00 175.76 176.19 1n88 s ILE 80 N 1.42 4.89 -0.10 0.00 1.09 0.79 0.24 121.20 129.53 1n88 s ILE 80 Ca 0.05 -0.63 -0.00 0.00 -1.10 0.00 0.00 60.65 58.97 1n88 s ILE 80 Cb -0.13 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1n88 s ILE 80 CO -0.11 -0.17 -0.08 -0.69 -0.10 0.00 0.00 174.94 173.79 1n88 s VAL 81 N 1.63 3.58 0.12 2.92 1.01 0.33 0.26 120.40 130.24 1n88 s VAL 81 Ca 0.04 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1n88 s VAL 81 Cb -0.18 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1n88 s VAL 81 CO 0.08 0.56 -0.05 -1.58 0.00 0.00 0.00 175.10 174.11 1n88 s GLN 82 N -0.35 2.29 0.20 2.72 2.00 0.14 0.25 119.66 126.92 1n88 s GLN 82 Ca 0.05 -1.01 0.08 0.00 -2.00 0.00 0.00 55.36 52.48 1n88 s GLN 82 Cb -0.12 -2.37 -0.04 0.00 0.80 0.00 0.00 33.01 31.28 1n88 s GLN 82 CO 0.02 0.50 -0.04 0.14 -0.50 0.00 0.00 175.29 175.41 1n88 s VAL 83 N -1.39 3.46 0.97 1.34 -7.23 -1.12 0.41 120.40 116.85 1n88 s VAL 83 Ca 0.24 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 1n88 s VAL 83 Cb -0.11 -2.75 0.16 0.00 0.56 0.00 0.00 36.38 34.24 1n88 s VAL 83 CO 0.16 -0.17 0.33 0.00 -0.31 0.00 0.00 175.10 175.11 1n88 n ALA 84 N -0.23 -0.22 -1.76 1.32 0.00 -1.21 -4.77 120.51 113.64 1n88 n ALA 84 Ca -0.09 -0.96 -0.40 0.00 0.00 0.00 0.00 53.44 51.99 1n88 n ALA 84 Cb 0.56 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 -3.39 4.54 0.00 0.00 0.04 -1.26 -2.80 135.00 132.13 1n88 s PRO 85 Ca 0.33 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1n88 s PRO 85 Cb -0.06 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1n88 s PRO 85 CO 0.30 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.82 1n88 n GLY 86 N 1.05 3.00 3.97 0.56 0.00 -1.26 -5.01 105.19 107.50 1n88 n GLY 86 Ca -0.01 0.00 -0.22 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 -0.25 3.11 0.00 1.61 -0.21 -1.12 -5.10 119.66 117.71 1n88 s GLN 87 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1n88 s GLN 87 Cb 0.00 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.35 1n88 s GLN 87 CO 0.00 -0.12 0.00 0.36 -2.12 0.00 0.00 175.29 173.41 1n88 n LYS 88 N -1.89 0.00 -1.53 2.91 0.00 -1.26 -4.77 118.16 111.61 1n88 n LYS 88 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 1n88 n LYS 88 Cb 0.58 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.48 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 0.21 0.58 5.41 -1.26 -4.68 119.36 119.61 1n88 n ILE 89 Ca 0.00 -0.49 0.09 0.00 1.00 0.00 0.00 62.75 63.34 1n88 n ILE 89 Cb 0.00 -1.22 0.42 0.00 -0.71 0.00 0.00 39.64 38.13 1n88 n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1n88 n GLU 90 N 7.58 0.11 -0.14 0.38 -0.58 -1.26 -2.74 120.64 123.99 1n88 n GLU 90 Ca 0.55 0.53 0.15 0.00 -0.42 0.00 0.00 57.16 57.98 1n88 n GLU 90 Cb 0.30 -1.81 0.52 0.00 -0.57 0.00 0.00 31.44 29.89 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n88 h ALA 91 N 2.10 2.14 0.00 0.62 0.00 -1.94 -2.76 119.26 119.41 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 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1n88 h ALA 91 CO 0.00 -0.32 -1.75 1.28 0.00 0.00 0.00 179.25 178.46 1n88 n LEU 92 N -4.47 0.00 -0.29 0.00 4.77 -1.11 -3.97 117.00 111.94 1n88 n LEU 92 Ca 0.13 0.00 0.32 0.00 -0.03 0.00 0.00 56.01 56.43 1n88 n LEU 92 Cb 0.51 0.12 0.71 0.00 -2.33 0.00 0.00 43.42 42.43 1n88 n LEU 92 CO 0.33 0.12 1.29 1.05 -1.33 0.00 0.00 177.39 178.86 1n88 h GLU 93 N 0.00 0.06 0.00 3.23 -0.00 -1.49 0.17 114.58 116.55 1n88 h GLU 93 Ca -0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.22 1n88 h GLU 93 Cb 1.08 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 1n88 h GLU 93 CO 0.01 0.04 -1.82 0.41 -0.00 0.00 0.00 179.01 177.65 1n88 n GLY 94 N -1.71 -0.82 0.31 1.06 0.00 -1.23 -4.31 105.19 98.48 1n88 n GLY 94 Ca 0.24 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 0.00 0.99 5.85 -0.79 -3.53 115.31 117.83 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 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1n88 h LEU 95 CO 0.00 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.72