#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n89 h GLN 3 N 4.07 0.75 -1.74 0.00 5.75 -2.01 -3.46 115.11 118.47 1n89 h GLN 3 Ca -0.55 -0.15 -0.39 0.00 -0.15 0.00 0.00 58.65 57.41 1n89 h GLN 3 Cb 1.24 -0.11 -0.11 0.00 1.07 0.00 0.00 27.48 29.57 1n89 h GLN 3 CO 0.02 0.69 -0.40 0.00 -2.65 0.00 0.00 178.83 176.49 1n89 n ALA 4 N -2.47 -0.40 0.00 3.38 0.00 -1.26 -4.75 120.51 115.01 1n89 n ALA 4 Ca 0.03 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1n89 n ALA 4 Cb 0.22 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1n89 n ALA 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n89 n SER 5 N -1.42 3.71 -2.23 0.00 3.41 -1.26 -4.75 113.62 111.08 1n89 n SER 5 Ca -0.20 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.21 1n89 n SER 5 Cb 0.64 0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.73 1n89 n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n89 n GLN 6 N -2.01 2.15 0.00 4.33 1.13 -1.26 -3.79 117.38 117.94 1n89 n GLN 6 Ca 0.00 -1.75 0.00 0.00 -1.94 0.00 0.00 57.00 53.31 1n89 n GLN 6 Cb 0.41 -1.99 0.00 0.00 0.11 0.00 0.00 30.24 28.77 1n89 n GLN 6 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1n89 n LEU 7 N 1.33 0.00 -0.30 1.08 4.77 -1.26 -4.02 117.00 118.61 1n89 n LEU 7 Ca 0.43 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 1n89 n LEU 7 Cb 0.66 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.04 1n89 n LEU 7 CO 0.26 0.00 0.96 0.00 -1.33 0.00 0.00 177.39 177.27 1n89 h ALA 8 N 0.00 1.28 -0.20 -1.18 0.00 -1.86 0.89 119.26 118.20 1n89 h ALA 8 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1n89 h ALA 8 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n89 h ALA 8 CO 0.00 -0.45 0.26 -0.24 0.00 0.00 0.00 179.25 178.83 1n89 h VAL 9 N 0.23 0.36 0.01 0.00 3.04 -1.92 0.22 116.25 118.20 1n89 h VAL 9 Ca 0.55 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 66.01 1n89 h VAL 9 Cb 1.09 0.78 -0.03 0.00 -2.01 0.00 0.00 31.29 31.12 1n89 h VAL 9 CO -0.63 0.00 -1.11 0.00 -1.01 0.00 0.00 177.57 174.82 1n89 h ALA 11 N 0.97 3.52 -0.93 0.00 0.00 -0.26 0.66 119.26 123.23 1n89 h ALA 11 Ca -0.05 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.03 1n89 h ALA 11 Cb 1.81 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.67 1n89 h ALA 11 CO 0.13 -2.01 0.61 0.77 0.00 0.00 0.00 179.25 178.75 1n89 h SER 12 N 0.01 0.38 0.47 0.00 0.02 -1.68 0.58 113.55 113.33 1n89 h SER 12 Ca 0.80 0.04 -0.30 0.00 -0.84 0.00 0.00 61.79 61.49 1n89 h SER 12 Cb 3.15 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 65.62 1n89 h SER 12 CO -0.04 0.14 -1.70 0.00 -1.14 0.00 0.00 176.83 174.09 1n89 h ALA 13 N 1.60 0.68 0.12 3.77 0.00 0.11 -0.27 119.26 125.28 1n89 h ALA 13 Ca 0.49 -1.41 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 1n89 h ALA 13 Cb 1.26 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1n89 h ALA 13 CO -0.18 1.51 -0.06 0.82 0.00 0.00 0.00 179.25 181.34 1n89 h ILE 14 N 0.01 0.00 0.00 0.00 5.03 -0.88 -3.12 117.51 118.55 1n89 h ILE 14 Ca -0.29 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.16 1n89 h ILE 14 Cb 2.00 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.79 1n89 h ILE 14 CO 0.09 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.74 1n89 n LEU 15 N -3.26 0.34 0.01 1.44 4.77 0.19 -4.35 117.00 116.13 1n89 n LEU 15 Ca -0.02 0.65 -0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1n89 n LEU 15 Cb 0.06 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1n89 n LEU 15 CO 0.05 -0.28 0.50 -1.28 -1.33 0.00 0.00 177.39 175.05 1n89 h SER 16 N 0.00 -0.04 0.00 -1.43 0.87 -1.60 -3.48 113.55 107.88 1n89 h SER 16 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1n89 h SER 16 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1n89 h SER 16 CO 0.00 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.89 1n89 n GLY 17 N -1.01 1.79 0.00 5.77 0.00 -0.12 -4.99 105.19 106.63 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 -0.67 -0.13 -3.57 4.61 0.00 -1.14 -4.96 120.51 114.64 1n89 n ALA 18 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1n89 n ALA 18 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.47 0.45 0.00 0.00 -2.85 -1.26 -5.04 119.74 109.57 1n89 s LYS 19 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 1n89 s LYS 19 Cb 0.00 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1n89 s LYS 19 CO 0.00 -0.19 0.00 -0.35 0.10 0.00 0.00 175.35 174.91 1n89 n PRO 20 N 0.05 -0.86 -3.63 1.78 -0.04 -1.26 -4.51 135.00 126.53 1n89 n PRO 20 Ca -0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.37 1n89 n PRO 20 Cb 0.59 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.99 1n89 n PRO 20 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n89 s SER 21 N -1.83 -0.19 0.57 3.54 0.15 -1.26 -5.02 113.70 109.67 1n89 s SER 21 Ca 0.00 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.20 1n89 s SER 21 Cb 0.00 0.27 1.64 0.00 -1.71 0.00 0.00 66.02 66.23 1n89 s SER 21 CO 0.00 -0.11 2.21 1.23 1.20 0.00 0.00 173.24 177.77 1n89 h GLY 22 N 2.94 0.00 1.01 9.45 0.00 -2.00 -2.76 103.07 111.70 1n89 h GLY 22 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1n89 h GLY 22 CO 0.20 0.00 -0.31 -2.09 0.00 0.00 0.00 176.54 174.34 1n89 h GLU 23 N 0.00 -0.83 -0.28 4.80 4.81 -2.00 -2.20 114.58 118.88 1n89 h GLU 23 Ca 0.01 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1n89 h GLU 23 Cb 0.07 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1n89 h GLU 23 CO -0.00 -0.55 0.29 0.00 -0.73 0.00 0.00 179.01 178.02 1n89 h GLY 26 N -0.08 0.00 0.56 0.00 0.00 -1.01 -3.20 103.07 99.34 1n89 h GLY 26 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1n89 h GLY 26 CO 0.00 0.00 -0.27 3.43 0.00 0.00 0.00 176.54 179.70 1n89 h ASN 27 N 0.00 -0.64 -0.26 0.19 4.21 -1.05 -2.64 115.58 115.39 1n89 h ASN 27 Ca -0.00 0.02 0.07 0.00 1.21 0.00 0.00 56.30 57.60 1n89 h ASN 27 Cb 1.32 0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.68 1n89 h ASN 27 CO 0.06 -0.37 0.32 0.17 -1.29 0.00 0.00 177.43 176.32 1n89 h LEU 28 N -0.93 0.00 0.20 1.61 8.10 -1.60 -1.49 115.31 121.19 1n89 h LEU 28 Ca -0.08 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 1n89 h LEU 28 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 1n89 h LEU 28 CO 0.13 0.00 -0.09 0.03 -4.11 0.00 0.00 178.44 174.39 1n89 h ARG 29 N 0.00 -0.25 -0.55 0.17 -0.00 -1.50 -1.53 114.38 110.72 1n89 h ARG 29 Ca 0.12 0.02 0.16 0.00 -0.50 0.00 0.00 59.98 59.78 1n89 h ARG 29 Cb 0.76 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.76 1n89 h ARG 29 CO -0.00 -0.00 0.63 0.00 0.00 0.00 0.00 179.97 180.60 1n89 h ALA 30 N 0.28 2.30 -0.48 0.04 0.00 -0.91 -2.70 119.26 117.79 1n89 h ALA 30 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n89 h ALA 30 Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1n89 h ALA 30 CO 0.04 -0.92 0.00 1.04 0.00 0.00 0.00 179.25 179.42 1n89 n GLN 31 N -3.56 0.00 -1.20 0.00 6.02 -0.90 -4.88 117.38 112.86 1n89 n GLN 31 Ca 0.11 0.39 -0.09 0.00 -0.01 0.00 0.00 57.00 57.40 1n89 n GLN 31 Cb 0.84 -0.88 -0.04 0.00 1.02 0.00 0.00 30.24 31.18 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 -1.80 -1.26 0.00 -1.09 -0.06 -0.62 -4.53 117.38 108.02 1n89 n GLN 32 Ca 0.00 0.52 0.00 0.00 -2.00 0.00 0.00 57.00 55.52 1n89 n GLN 32 Cb 0.00 -4.63 0.00 0.00 -4.06 0.00 0.00 30.24 21.55 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 -0.13 0.02 0.30 1.69 0.00 -1.26 -4.83 105.19 100.98 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 0.50 0.43 0.50 0.00 3.04 -1.90 1.21 116.94 120.72 1n89 h PHE 35 Ca 0.13 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1n89 h PHE 35 Cb 0.01 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.41 1n89 h PHE 35 CO 0.00 0.16 -0.24 0.00 -2.02 0.00 0.00 178.31 176.22 1n89 h GLN 37 N -0.89 0.00 0.00 0.00 3.07 -1.26 -2.32 115.11 113.71 1n89 h GLN 37 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1n89 h GLN 37 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1n89 h GLN 37 CO 0.11 0.10 0.06 1.88 0.09 0.00 0.00 178.83 181.07 1n89 h TYR 38 N 0.00 0.00 -0.25 0.06 0.05 0.17 -2.34 116.97 114.66 1n89 h TYR 38 Ca -0.00 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.85 1n89 h TYR 38 Cb 0.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1n89 h TYR 38 CO 0.00 0.00 0.48 0.00 -1.05 0.00 0.00 178.16 177.59 1n89 h ALA 39 N 1.86 1.83 0.00 3.88 0.00 -1.49 0.23 119.26 125.58 1n89 h ALA 39 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1n89 h ALA 39 Cb 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1n89 h ALA 39 CO 0.00 -0.61 -1.95 1.17 0.00 0.00 0.00 179.25 177.86 1n89 n LYS 40 N -3.26 0.66 -1.55 0.00 3.00 -0.88 -4.81 118.16 111.32 1n89 n LYS 40 Ca 0.04 -0.04 -0.44 0.00 -0.00 0.00 0.00 58.31 57.87 1n89 n LYS 40 Cb 0.60 -1.59 -0.04 0.00 0.00 0.00 0.00 35.03 33.99 1n89 n LYS 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1n89 n ASP 41 N -2.56 2.86 0.00 3.14 -0.08 0.82 -4.82 116.55 115.91 1n89 n ASP 41 Ca -0.14 0.19 0.12 0.00 -1.51 0.00 0.00 54.79 53.45 1n89 n ASP 41 Cb 0.81 -1.48 0.30 0.00 2.34 0.00 0.00 41.12 43.09 1n89 n ASP 41 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1n89 n PRO 42 N 8.65 0.00 -0.04 -0.67 -0.04 -1.26 -4.11 135.00 137.53 1n89 n PRO 42 Ca 0.34 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 64.04 1n89 n PRO 42 Cb 0.40 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.07 1n89 n PRO 42 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1n89 h THR 43 N 0.00 0.45 0.58 0.52 1.35 -1.96 -2.00 112.91 111.85 1n89 h THR 43 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1n89 h THR 43 Cb 0.50 0.58 0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1n89 h THR 43 CO 0.00 0.00 -0.28 1.88 -0.25 0.00 0.00 175.52 176.87 1n89 h TYR 44 N 0.00 -0.72 0.00 4.73 0.05 -1.98 -3.49 116.97 115.55 1n89 h TYR 44 Ca 0.31 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.07 1n89 h TYR 44 Cb 1.42 0.24 0.00 0.00 1.01 0.00 0.00 36.73 39.40 1n89 h TYR 44 CO 0.00 -0.41 0.00 0.41 -1.05 0.00 0.00 178.16 177.11 1n89 n GLY 45 N -0.38 0.92 2.44 3.88 0.00 -0.75 -4.79 105.19 106.51 1n89 n GLY 45 Ca -0.11 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 1n89 n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n89 n GLN 46 N 0.00 -1.51 0.18 1.61 7.27 -1.26 -4.86 117.38 118.80 1n89 n GLN 46 Ca 0.00 1.07 -0.14 0.00 0.07 0.00 0.00 57.00 58.01 1n89 n GLN 46 Cb 0.00 -5.50 -0.08 0.00 2.41 0.00 0.00 30.24 27.07 1n89 n GLN 46 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1n89 h TYR 47 N 0.00 -0.42 -0.22 3.69 3.20 -1.90 -3.01 116.97 118.30 1n89 h TYR 47 Ca -0.40 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.29 1n89 h TYR 47 Cb 1.26 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.67 1n89 h TYR 47 CO 0.55 -0.11 -0.53 0.82 -1.64 0.00 0.00 178.16 177.25 1n89 h ILE 48 N -0.74 1.31 -0.03 1.81 1.08 -1.88 -3.05 117.51 116.00 1n89 h ILE 48 Ca -0.05 -1.76 -0.01 0.00 -0.39 0.00 0.00 64.86 62.65 1n89 h ILE 48 Cb 0.50 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 1n89 h ILE 48 CO 0.08 0.56 0.01 0.54 -0.69 0.00 0.00 178.15 178.65 1n89 n ARG 49 N -3.98 1.10 -2.36 2.37 1.74 -1.23 -4.79 116.66 109.52 1n89 n ARG 49 Ca -0.03 -0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.61 1n89 n ARG 49 Cb 0.60 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.73 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 0.45 6.52 0.01 0.55 0.15 -1.14 -5.00 113.70 115.23 1n89 s SER 50 Ca 0.02 1.46 -0.16 0.00 0.70 0.00 0.00 55.95 57.98 1n89 s SER 50 Cb 0.02 -2.47 -0.35 0.00 -1.71 0.00 0.00 66.02 61.51 1n89 s SER 50 CO 0.01 -0.62 0.93 1.55 1.20 0.00 0.00 173.24 176.30 1n89 h PRO 51 N 0.69 0.49 0.02 5.44 0.13 -1.91 -3.35 132.00 133.51 1n89 h PRO 51 Ca -0.46 -0.84 -0.23 0.00 -0.87 0.00 0.00 66.00 63.60 1n89 h PRO 51 Cb 1.19 0.31 -0.03 0.00 0.13 0.00 0.00 31.00 32.60 1n89 h PRO 51 CO 0.62 1.40 -1.09 0.45 -0.23 0.00 0.00 178.00 179.15 1n89 h HIS 52 N 0.08 0.08 -0.87 1.56 3.86 -1.91 -3.32 115.15 114.63 1n89 h HIS 52 Ca -0.26 -0.06 0.13 0.00 -1.16 0.00 0.00 60.37 59.01 1n89 h HIS 52 Cb 2.10 -0.00 -0.09 0.00 1.06 0.00 0.00 27.41 30.49 1n89 h HIS 52 CO 0.13 1.05 0.49 0.00 0.86 0.00 0.00 177.93 180.46 1n89 h ALA 53 N 0.93 1.29 -0.02 2.45 0.00 -1.81 0.94 119.26 123.04 1n89 h ALA 53 Ca -0.05 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1n89 h ALA 53 Cb 1.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1n89 h ALA 53 CO 0.14 0.03 -0.28 -0.09 0.00 0.00 0.00 179.25 179.04 1n89 h ARG 54 N 0.74 0.04 -0.35 0.00 2.43 -1.69 -2.67 114.38 112.89 1n89 h ARG 54 Ca 0.45 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.44 1n89 h ARG 54 Cb 0.53 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1n89 h ARG 54 CO -0.31 0.32 -0.44 0.22 -1.51 0.00 0.00 179.97 178.26 1n89 h ASP 55 N 0.04 0.99 -0.18 -3.80 1.82 -0.98 -2.70 116.42 111.61 1n89 h ASP 55 Ca 0.00 -0.49 0.02 0.00 -0.39 0.00 0.00 57.03 56.18 1n89 h ASP 55 Cb 0.52 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1n89 h ASP 55 CO 0.04 1.29 0.04 0.74 -1.61 0.00 0.00 179.24 179.73 1n89 h THR 56 N 0.73 0.93 0.03 2.25 2.02 -0.98 0.46 112.91 118.35 1n89 h THR 56 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1n89 h THR 56 Cb 1.04 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1n89 h THR 56 CO 0.10 0.02 -0.05 -0.07 0.37 0.00 0.00 175.52 175.90 1n89 h LEU 57 N 0.12 -0.13 -0.52 2.58 4.07 -1.51 -2.24 115.31 117.68 1n89 h LEU 57 Ca 0.08 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1n89 h LEU 57 Cb 0.07 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1n89 h LEU 57 CO -0.10 -0.08 0.32 0.74 -1.08 0.00 0.00 178.44 178.24 1n89 h THR 58 N -0.10 1.16 -0.94 0.22 2.02 -1.25 -0.65 112.91 113.36 1n89 h THR 58 Ca 0.01 -0.35 0.26 0.00 0.77 0.00 0.00 66.41 67.10 1n89 h THR 58 Cb 0.11 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1n89 h THR 58 CO -0.03 0.16 0.66 -1.28 0.37 0.00 0.00 175.52 175.41 1n89 h SER 59 N 0.70 0.10 0.10 4.18 0.87 0.25 0.63 113.55 120.38 1n89 h SER 59 Ca 0.19 0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.50 1n89 h SER 59 Cb -0.02 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1n89 h SER 59 CO -0.04 0.03 -1.06 0.00 -0.53 0.00 0.00 176.83 175.24 1n89 n GLY 61 N 1.11 0.29 0.00 0.00 0.00 0.22 -5.03 105.19 101.77 1n89 n GLY 61 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1n89 n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n89 n LEU 62 N -1.90 0.00 -3.97 0.99 4.77 -1.26 -5.09 117.00 110.53 1n89 n LEU 62 Ca -0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1n89 n LEU 62 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1n89 n LEU 62 CO 0.16 0.00 0.12 0.00 -1.33 0.00 0.00 177.39 176.34 1n89 s ALA 63 N -2.00 -0.18 -0.09 -1.18 0.00 -1.26 -5.14 121.76 111.92 1n89 s ALA 63 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1n89 s ALA 63 Cb 0.00 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 1n89 s ALA 63 CO 0.00 -0.79 -0.06 0.54 0.00 0.00 0.00 175.76 175.45 1n89 s VAL 64 N -4.00 3.78 0.00 0.00 0.11 -1.26 -4.79 120.40 114.24 1n89 s VAL 64 Ca 0.21 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1n89 s VAL 64 Cb 0.01 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.28 1n89 s VAL 64 CO 0.06 0.58 0.00 -0.81 -3.33 0.00 0.00 175.10 171.60 1n89 n PRO 65 N 2.48 1.07 -2.51 1.54 -0.04 -1.26 -4.39 135.00 131.88 1n89 n PRO 65 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1n89 n PRO 65 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.00 -1.14 1.98 0.54 8.25 -1.25 -5.09 115.22 117.50 1n89 n HIS 66 Ca 0.00 0.12 0.16 0.00 -0.26 0.00 0.00 57.72 57.73 1n89 n HIS 66 Cb 0.00 -3.89 0.94 0.00 1.12 0.00 0.00 29.99 28.16 1n89 n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98