#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n89 n GLN 3 N -3.83 0.00 -2.59 0.00 7.27 -1.26 -5.04 117.38 111.94 1n89 n GLN 3 Ca -0.12 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.75 1n89 n GLN 3 Cb 0.37 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.03 1n89 n GLN 3 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1n89 n ALA 4 N -3.14 -0.68 0.00 1.69 0.00 -1.26 -4.85 120.51 112.27 1n89 n ALA 4 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1n89 n ALA 4 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 16.81 1n89 n ALA 4 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n89 n SER 5 N -1.82 3.58 0.00 0.00 7.64 -1.26 -4.34 113.62 117.42 1n89 n SER 5 Ca -0.18 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.82 1n89 n SER 5 Cb 0.65 0.01 0.65 0.00 -1.01 0.00 0.00 64.21 64.51 1n89 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n89 n GLN 6 N -2.38 0.41 -0.00 1.43 6.02 -1.26 -3.15 117.38 118.45 1n89 n GLN 6 Ca 0.00 0.04 0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1n89 n GLN 6 Cb 0.44 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.16 1n89 n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n89 n LEU 7 N -1.25 0.02 -0.17 1.08 4.77 -1.26 -4.28 117.00 115.90 1n89 n LEU 7 Ca 0.13 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1n89 n LEU 7 Cb 0.19 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1n89 n LEU 7 CO 0.19 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 176.92 1n89 h ALA 8 N 0.58 0.06 -0.07 -1.18 0.00 -1.74 0.67 119.26 117.58 1n89 h ALA 8 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1n89 h ALA 8 Cb 0.27 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1n89 h ALA 8 CO 0.00 -0.61 0.15 -0.24 0.00 0.00 0.00 179.25 178.55 1n89 h VAL 9 N -0.14 0.22 0.04 0.00 3.04 -1.84 -0.21 116.25 117.35 1n89 h VAL 9 Ca 0.23 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.62 1n89 h VAL 9 Cb 0.51 0.87 -0.04 0.00 -2.01 0.00 0.00 31.29 30.62 1n89 h VAL 9 CO -0.61 0.00 -1.67 0.00 -1.01 0.00 0.00 177.57 174.28 1n89 h ALA 11 N 0.77 3.51 -0.76 0.00 0.00 0.12 0.44 119.26 123.35 1n89 h ALA 11 Ca -0.28 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.69 1n89 h ALA 11 Cb 2.00 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.82 1n89 h ALA 11 CO 0.10 -1.97 0.37 1.03 0.00 0.00 0.00 179.25 178.77 1n89 h SER 12 N 0.00 0.45 0.70 0.00 0.87 -1.70 0.68 113.55 114.55 1n89 h SER 12 Ca 0.76 0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 61.17 1n89 h SER 12 Cb 3.05 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 65.01 1n89 h SER 12 CO -0.01 0.22 -1.04 0.00 -0.53 0.00 0.00 176.83 175.47 1n89 h ALA 13 N 1.49 0.32 0.36 6.23 0.00 -0.39 0.13 119.26 127.39 1n89 h ALA 13 Ca 0.39 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1n89 h ALA 13 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1n89 h ALA 13 CO -0.32 1.02 -0.17 0.82 0.00 0.00 0.00 179.25 180.60 1n89 h ILE 14 N 0.07 0.00 0.00 0.00 5.03 -1.00 -3.09 117.51 118.52 1n89 h ILE 14 Ca -0.07 -0.40 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 1n89 h ILE 14 Cb 1.75 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.54 1n89 h ILE 14 CO 0.16 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.81 1n89 n LEU 15 N -4.41 0.96 0.00 1.44 4.77 0.23 -4.47 117.00 115.51 1n89 n LEU 15 Ca -0.06 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1n89 n LEU 15 Cb 0.19 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1n89 n LEU 15 CO 0.14 -0.11 0.49 -0.24 -1.33 0.00 0.00 177.39 176.35 1n89 n SER 16 N -0.82 0.00 0.00 -1.43 2.88 -1.04 -4.96 113.62 108.25 1n89 n SER 16 Ca 0.00 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1n89 n SER 16 Cb 0.00 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1n89 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n89 n GLY 17 N -0.99 1.88 0.00 0.46 0.00 0.42 -4.99 105.19 101.97 1n89 n GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n89 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n89 n ALA 18 N -0.56 -0.10 -3.62 4.61 0.00 -1.23 -4.96 120.51 114.65 1n89 n ALA 18 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1n89 n ALA 18 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1n89 n ALA 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1n89 s LYS 19 N -1.43 0.40 0.10 0.00 0.00 -1.26 -5.05 119.74 112.49 1n89 s LYS 19 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 55.97 56.28 1n89 s LYS 19 Cb 0.00 0.19 0.02 0.00 0.00 0.00 0.00 37.83 38.05 1n89 s LYS 19 CO 0.00 -0.08 0.09 -0.35 0.00 0.00 0.00 175.35 175.01 1n89 n PRO 20 N 1.55 -1.00 -0.34 1.78 -0.04 -1.26 -4.68 135.00 131.01 1n89 n PRO 20 Ca -0.10 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1n89 n PRO 20 Cb 0.57 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1n89 n PRO 20 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n89 n SER 21 N -3.14 0.00 -0.07 3.54 2.88 -1.26 -5.06 113.62 110.52 1n89 n SER 21 Ca 0.01 -0.26 -0.04 0.00 -1.33 0.00 0.00 58.87 57.25 1n89 n SER 21 Cb 0.05 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.37 1n89 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n89 n GLY 22 N 0.00 -0.87 0.09 0.46 0.00 -1.26 -4.52 105.19 99.08 1n89 n GLY 22 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1n89 n GLY 22 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n89 h GLU 23 N 0.00 -0.00 -0.60 1.61 4.81 -2.00 -1.18 114.58 117.22 1n89 h GLU 23 Ca -0.36 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1n89 h GLU 23 Cb 1.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.14 1n89 h GLU 23 CO 0.02 -0.00 0.51 0.00 -0.73 0.00 0.00 179.01 178.81 1n89 h GLY 26 N -1.10 0.00 0.11 0.00 0.00 -1.25 0.19 103.07 101.02 1n89 h GLY 26 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1n89 h GLY 26 CO 0.13 0.00 -0.05 3.43 0.00 0.00 0.00 176.54 180.04 1n89 h ASN 27 N 0.00 -0.13 -0.30 0.19 4.21 -1.33 -2.71 115.58 115.51 1n89 h ASN 27 Ca 0.18 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.78 1n89 h ASN 27 Cb 0.73 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.96 1n89 h ASN 27 CO -0.00 -0.03 0.25 0.17 -1.29 0.00 0.00 177.43 176.53 1n89 h LEU 28 N -0.27 0.00 -0.25 1.61 8.10 -1.27 -0.87 115.31 122.36 1n89 h LEU 28 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1n89 h LEU 28 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 1n89 h LEU 28 CO 0.03 0.00 0.13 0.03 -4.11 0.00 0.00 178.44 174.52 1n89 h ARG 29 N 0.00 0.35 -0.29 0.17 -0.00 -0.65 -0.93 114.38 113.03 1n89 h ARG 29 Ca 0.14 -0.04 0.08 0.00 -0.50 0.00 0.00 59.98 59.66 1n89 h ARG 29 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.54 1n89 h ARG 29 CO -0.00 0.32 0.40 0.00 0.00 0.00 0.00 179.97 180.69 1n89 h ALA 30 N 1.01 1.89 -0.56 0.04 0.00 -0.81 -2.88 119.26 117.95 1n89 h ALA 30 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n89 h ALA 30 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1n89 h ALA 30 CO -0.01 -0.55 0.00 1.04 0.00 0.00 0.00 179.25 179.73 1n89 n GLN 31 N -3.50 0.00 -1.26 0.00 6.02 -0.44 -4.88 117.38 113.33 1n89 n GLN 31 Ca 0.04 0.39 -0.09 0.00 -0.01 0.00 0.00 57.00 57.33 1n89 n GLN 31 Cb 0.54 -0.88 -0.04 0.00 1.02 0.00 0.00 30.24 30.88 1n89 n GLN 31 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1n89 n GLN 32 N -1.75 -1.19 0.00 -1.09 -0.06 -0.70 -4.54 117.38 108.04 1n89 n GLN 32 Ca 0.00 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 1n89 n GLN 32 Cb 0.00 -4.68 0.00 0.00 -4.06 0.00 0.00 30.24 21.50 1n89 n GLN 32 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1n89 n GLY 33 N -0.16 0.03 0.34 1.69 0.00 -1.26 -4.73 105.19 101.09 1n89 n GLY 33 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1n89 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n89 h PHE 35 N 0.79 1.20 0.38 0.00 3.57 -1.90 0.30 116.94 121.27 1n89 h PHE 35 Ca 0.25 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1n89 h PHE 35 Cb 0.03 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.42 1n89 h PHE 35 CO -0.00 0.93 -0.18 0.00 -2.23 0.00 0.00 178.31 176.83 1n89 h GLN 37 N -0.86 0.00 -0.18 0.00 -0.00 -1.13 -1.79 115.11 111.15 1n89 h GLN 37 Ca -0.05 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1n89 h GLN 37 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.01 1n89 h GLN 37 CO 0.09 0.07 0.32 1.88 -0.00 0.00 0.00 178.83 181.19 1n89 h TYR 38 N 0.00 0.00 -0.08 0.06 0.05 -0.26 -0.21 116.97 116.53 1n89 h TYR 38 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1n89 h TYR 38 Cb 0.19 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 1n89 h TYR 38 CO 0.00 0.00 0.24 0.00 -1.05 0.00 0.00 178.16 177.35 1n89 h ALA 39 N 1.52 1.43 -0.21 3.88 0.00 -1.42 0.27 119.26 124.73 1n89 h ALA 39 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n89 h ALA 39 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n89 h ALA 39 CO -0.00 -0.28 0.00 1.17 0.00 0.00 0.00 179.25 180.14 1n89 n LYS 40 N -3.20 2.65 -2.63 0.00 4.81 -0.09 -4.97 118.16 114.74 1n89 n LYS 40 Ca -0.01 -2.40 -0.43 0.00 -0.87 0.00 0.00 58.31 54.61 1n89 n LYS 40 Cb 0.32 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 33.84 1n89 n LYS 40 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1n89 s ASP 41 N -1.69 6.82 0.45 3.14 -1.08 0.93 -4.91 116.67 120.33 1n89 s ASP 41 Ca 0.30 0.83 0.25 0.00 -0.52 0.00 0.00 52.55 53.40 1n89 s ASP 41 Cb 0.22 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 39.79 1n89 s ASP 41 CO 0.09 -1.02 1.71 1.55 0.52 0.00 0.00 175.17 178.02 1n89 h PRO 42 N 8.52 0.00 -0.49 4.34 0.13 -1.94 -3.14 132.00 139.42 1n89 h PRO 42 Ca -0.21 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.00 1n89 h PRO 42 Cb 1.06 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 1n89 h PRO 42 CO 1.07 0.10 0.07 1.79 -0.23 0.00 0.00 178.00 180.80 1n89 h THR 43 N 0.00 0.70 0.00 1.56 1.35 -1.97 -3.35 112.91 111.20 1n89 h THR 43 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1n89 h THR 43 Cb 0.89 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1n89 h THR 43 CO 0.01 0.04 0.00 -1.22 -0.25 0.00 0.00 175.52 174.10 1n89 n TYR 44 N -5.14 0.00 0.00 4.73 4.01 -1.24 -4.92 117.16 114.59 1n89 n TYR 44 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1n89 n TYR 44 Cb 0.25 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1n89 n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n89 n GLY 45 N 2.20 1.21 0.25 2.72 0.00 -1.19 -4.41 105.19 105.97 1n89 n GLY 45 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1n89 n GLY 45 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1n89 h GLN 46 N 0.00 0.00 0.06 1.61 3.07 -1.91 0.10 115.11 118.05 1n89 h GLN 46 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1n89 h GLN 46 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1n89 h GLN 46 CO 0.00 0.15 -0.03 -0.92 0.09 0.00 0.00 178.83 178.12 1n89 h TYR 47 N 0.00 -0.08 0.07 0.06 3.20 -1.95 -3.07 116.97 115.20 1n89 h TYR 47 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1n89 h TYR 47 Cb 0.49 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1n89 h TYR 47 CO 0.00 0.49 -0.03 0.82 -1.64 0.00 0.00 178.16 177.79 1n89 h ILE 48 N -0.91 1.20 -0.03 1.81 1.08 -1.90 -3.13 117.51 115.64 1n89 h ILE 48 Ca -0.01 -1.04 -0.02 0.00 -0.39 0.00 0.00 64.86 63.40 1n89 h ILE 48 Cb 0.60 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.21 1n89 h ILE 48 CO 0.01 0.25 0.02 0.54 -0.69 0.00 0.00 178.15 178.29 1n89 n ARG 49 N -4.91 1.04 -2.85 2.37 1.74 0.35 -4.75 116.66 109.65 1n89 n ARG 49 Ca -0.08 -0.10 -0.34 0.00 -0.77 0.00 0.00 57.85 56.55 1n89 n ARG 49 Cb 0.25 -1.04 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 1n89 n ARG 49 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1n89 s SER 50 N 1.02 7.03 0.10 0.55 0.15 -1.16 -4.88 113.70 116.50 1n89 s SER 50 Ca 0.02 1.68 -0.16 0.00 0.70 0.00 0.00 55.95 58.18 1n89 s SER 50 Cb 0.02 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1n89 s SER 50 CO 0.00 -0.26 1.50 1.55 1.20 0.00 0.00 173.24 177.23 1n89 h PRO 51 N 2.31 0.59 0.00 5.44 0.13 -1.87 -3.03 132.00 135.56 1n89 h PRO 51 Ca -0.48 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1n89 h PRO 51 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1n89 h PRO 51 CO 0.63 0.77 -0.02 0.45 -0.23 0.00 0.00 178.00 179.60 1n89 h HIS 52 N 0.36 0.00 -0.16 1.56 3.86 -1.84 -3.33 115.15 115.60 1n89 h HIS 52 Ca 0.08 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1n89 h HIS 52 Cb 0.55 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 1n89 h HIS 52 CO 0.05 0.00 -0.10 0.00 0.86 0.00 0.00 177.93 178.74 1n89 h ALA 53 N 2.22 0.03 -0.45 2.45 0.00 -1.78 0.42 119.26 122.15 1n89 h ALA 53 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1n89 h ALA 53 Cb 0.89 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1n89 h ALA 53 CO 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 179.25 178.82 1n89 h ARG 54 N -0.09 0.25 -0.52 0.00 2.47 -1.67 -0.23 114.38 114.58 1n89 h ARG 54 Ca 0.09 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.72 1n89 h ARG 54 Cb 0.23 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1n89 h ARG 54 CO -0.22 0.16 0.01 0.22 0.56 0.00 0.00 179.97 180.70 1n89 h ASP 55 N 0.26 0.90 -0.80 7.04 1.82 -1.61 -2.71 116.42 121.31 1n89 h ASP 55 Ca 0.22 -0.30 0.06 0.00 -0.39 0.00 0.00 57.03 56.62 1n89 h ASP 55 Cb 0.26 -0.24 -0.05 0.00 0.68 0.00 0.00 39.33 39.97 1n89 h ASP 55 CO -0.26 0.98 0.52 0.74 -1.61 0.00 0.00 179.24 179.61 1n89 h THR 56 N 0.79 1.04 0.91 2.25 2.02 0.62 0.37 112.91 120.91 1n89 h THR 56 Ca 0.15 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1n89 h THR 56 Cb 0.52 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1n89 h THR 56 CO 0.03 0.16 -0.44 -0.07 0.37 0.00 0.00 175.52 175.57 1n89 h LEU 57 N 0.87 -1.03 -0.61 2.58 4.07 -0.75 -1.12 115.31 119.31 1n89 h LEU 57 Ca 0.34 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.35 1n89 h LEU 57 Cb 0.23 0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1n89 h LEU 57 CO -0.12 -0.71 0.39 0.74 -1.08 0.00 0.00 178.44 177.66 1n89 h THR 58 N -1.27 1.12 -0.75 0.22 2.02 -1.32 0.80 112.91 113.73 1n89 h THR 58 Ca -0.12 -0.27 0.22 0.00 0.77 0.00 0.00 66.41 67.00 1n89 h THR 58 Cb 0.94 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1n89 h THR 58 CO 0.21 0.15 0.54 -1.28 0.37 0.00 0.00 175.52 175.50 1n89 h SER 59 N 0.80 0.00 -0.03 4.18 0.87 -0.17 0.64 113.55 119.84 1n89 h SER 59 Ca 0.23 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.56 1n89 h SER 59 Cb -0.05 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1n89 h SER 59 CO -0.07 0.00 -0.86 0.00 -0.53 0.00 0.00 176.83 175.37 1n89 n GLY 61 N 0.81 0.17 0.00 0.00 0.00 0.22 -4.95 105.19 101.45 1n89 n GLY 61 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1n89 n GLY 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1n89 n LEU 62 N -2.11 0.00 -4.04 0.99 -0.00 -1.26 -5.10 117.00 105.49 1n89 n LEU 62 Ca -0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.81 1n89 n LEU 62 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.94 1n89 n LEU 62 CO 0.21 0.00 0.22 0.00 -0.00 0.00 0.00 177.39 177.82 1n89 s ALA 63 N -2.00 0.50 0.05 1.47 0.00 -1.26 -5.12 121.76 115.41 1n89 s ALA 63 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.62 1n89 s ALA 63 Cb 0.00 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1n89 s ALA 63 CO 0.00 -0.83 -0.04 0.54 0.00 0.00 0.00 175.76 175.44 1n89 s VAL 64 N -2.88 3.83 -0.05 0.00 0.11 -1.26 -4.90 120.40 115.26 1n89 s VAL 64 Ca 0.28 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1n89 s VAL 64 Cb -0.01 -2.76 0.06 0.00 -1.53 0.00 0.00 36.38 32.14 1n89 s VAL 64 CO 0.19 0.24 1.29 -0.81 -3.33 0.00 0.00 175.10 172.68 1n89 n PRO 65 N 1.01 1.12 -1.20 1.54 -0.04 -1.26 -4.16 135.00 132.01 1n89 n PRO 65 Ca -0.13 -0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 62.82 1n89 n PRO 65 Cb 0.52 -1.11 0.16 0.00 -0.04 0.00 0.00 33.50 33.03 1n89 n PRO 65 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1n89 n HIS 66 N 0.56 2.73 0.79 0.54 8.25 -1.26 -4.45 115.22 122.37 1n89 n HIS 66 Ca 0.06 -2.05 0.06 0.00 -0.26 0.00 0.00 57.72 55.53 1n89 n HIS 66 Cb 0.59 -0.94 0.38 0.00 1.12 0.00 0.00 29.99 31.13 1n89 n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98