#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n89 s GLN 3 N -1.42 0.52 0.18 0.00 -0.21 -1.26 -5.02 119.66 112.45 1n89 s GLN 3 Ca -0.05 0.84 0.14 0.00 0.02 0.00 0.00 55.36 56.31 1n89 s GLN 3 Cb 0.01 0.46 -0.05 0.00 1.00 0.00 0.00 33.01 34.42 1n89 s GLN 3 CO 0.08 -0.64 1.22 0.00 -2.12 0.00 0.00 175.29 173.82 1n89 h ALA 4 N 7.98 0.61 0.00 6.09 0.00 -2.00 -3.26 119.26 128.69 1n89 h ALA 4 Ca -0.18 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1n89 h ALA 4 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n89 h ALA 4 CO 0.20 0.86 0.00 0.43 0.00 0.00 0.00 179.25 180.74 1n89 n SER 5 N -3.15 0.42 0.04 0.00 7.64 -1.26 -0.13 113.62 117.18 1n89 n SER 5 Ca -0.02 0.62 -0.10 0.00 1.01 0.00 0.00 58.87 60.38 1n89 n SER 5 Cb 0.81 -0.70 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 1n89 n SER 5 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1n89 h GLN 6 N 0.00 0.07 0.00 1.43 1.08 -1.97 -3.34 115.11 112.38 1n89 h GLN 6 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1n89 h GLN 6 Cb 0.25 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1n89 h GLN 6 CO 0.00 0.91 -1.29 1.28 -0.95 0.00 0.00 178.83 178.78 1n89 n LEU 7 N -3.30 0.57 -0.32 1.46 4.77 -0.89 -4.43 117.00 114.84 1n89 n LEU 7 Ca -0.09 -0.31 0.21 0.00 -0.03 0.00 0.00 56.01 55.79 1n89 n LEU 7 Cb 1.00 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.57 1n89 n LEU 7 CO 0.48 0.14 1.21 0.00 -1.33 0.00 0.00 177.39 177.89 1n89 h ALA 8 N 2.39 2.13 -0.05 -1.18 0.00 -0.65 0.68 119.26 122.58 1n89 h ALA 8 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n89 h ALA 8 Cb 0.63 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1n89 h ALA 8 CO 0.00 -0.54 0.06 -0.24 0.00 0.00 0.00 179.25 178.53 1n89 h VAL 9 N 0.45 0.49 0.16 0.00 3.04 -1.78 -1.45 116.25 117.15 1n89 h VAL 9 Ca 0.59 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 65.96 1n89 h VAL 9 Cb 1.40 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1n89 h VAL 9 CO -0.31 0.00 -1.59 0.00 -1.01 0.00 0.00 177.57 174.66 1n89 h ALA 11 N 0.34 2.83 -0.85 0.00 0.00 -0.90 0.17 119.26 120.85 1n89 h ALA 11 Ca -0.27 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 54.85 1n89 h ALA 11 Cb 2.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1n89 h ALA 11 CO 0.18 -1.31 0.61 0.77 0.00 0.00 0.00 179.25 179.50 1n89 h SER 12 N 0.00 0.00 0.00 0.00 0.02 -1.65 -2.74 113.55 109.18 1n89 h SER 12 Ca 0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1n89 h SER 12 Cb 2.09 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.58 1n89 h SER 12 CO -0.00 0.00 -0.55 0.00 -1.14 0.00 0.00 176.83 175.13 1n89 n ALA 13 N -2.70 2.05 0.04 3.77 0.00 0.49 -3.85 120.51 120.31 1n89 n ALA 13 Ca 0.17 -1.14 -0.20 0.00 0.00 0.00 0.00 53.44 52.28 1n89 n ALA 13 Cb 0.92 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 1n89 n ALA 13 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1n89 h ILE 14 N 6.94 1.52 0.00 0.00 6.09 -0.93 -3.21 117.51 127.92 1n89 h ILE 14 Ca -0.03 -2.52 0.00 0.00 -1.37 0.00 0.00 64.86 60.94 1n89 h ILE 14 Cb 1.45 3.21 0.00 0.00 0.47 0.00 0.00 36.82 41.95 1n89 h ILE 14 CO 0.01 0.71 -0.00 -0.07 -3.07 0.00 0.00 178.15 175.73 1n89 h LEU 15 N -0.43 0.00 0.02 2.19 4.07 -1.87 -3.33 115.31 115.96 1n89 h LEU 15 Ca -0.13 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1n89 h LEU 15 Cb 1.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.33 1n89 h LEU 15 CO 0.13 0.10 -0.01 0.28 -1.08 0.00 0.00 178.44 177.86 1n89 h SER 16 N -0.19 -0.02 0.00 -0.43 0.02 -1.87 -3.45 113.55 107.61 1n89 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n89 h SER 16 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1n89 h SER 16 CO 0.00 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1n89 n GLY 17 N 1.78 0.87 0.28 -3.77 0.00 -1.21 -4.97 105.19 98.15 1n89 n GLY 17 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1n89 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n89 h ALA 18 N 0.00 0.81 -0.05 4.61 0.00 -1.81 -3.44 119.26 119.39 1n89 h ALA 18 Ca 0.00 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 54.96 1n89 h ALA 18 Cb 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 17.79 17.37 1n89 h ALA 18 CO 0.00 0.42 0.02 -1.59 0.00 0.00 0.00 179.25 178.10 1n89 s LYS 19 N -5.59 0.04 0.00 0.00 0.00 -1.26 -5.06 119.74 107.87 1n89 s LYS 19 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 55.97 55.85 1n89 s LYS 19 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.97 1n89 s LYS 19 CO 0.80 -0.06 0.00 -0.35 0.00 0.00 0.00 175.35 175.74 1n89 n PRO 20 N 4.27 -0.67 -3.62 1.78 -0.04 -1.26 -4.63 135.00 130.82 1n89 n PRO 20 Ca 0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1n89 n PRO 20 Cb 0.62 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.65 -0.27 0.54 3.54 0.15 -1.26 -5.02 113.70 109.72 1n89 s SER 21 Ca 0.00 0.43 0.21 0.00 0.70 0.00 0.00 55.95 57.29 1n89 s SER 21 Cb 0.00 0.40 1.40 0.00 -1.71 0.00 0.00 66.02 66.11 1n89 s SER 21 CO 0.00 -0.15 2.11 1.23 1.20 0.00 0.00 173.24 177.62 1n89 h GLY 22 N 3.15 0.00 -0.29 9.45 0.00 -2.02 -1.98 103.07 111.38 1n89 h GLY 22 Ca -0.22 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.43 1n89 h GLY 22 CO 0.20 0.00 0.79 -2.09 0.00 0.00 0.00 176.54 175.44 1n89 h GLU 23 N 0.00 0.10 -0.31 4.80 4.81 -2.01 0.37 114.58 122.34 1n89 h GLU 23 Ca 0.08 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1n89 h GLU 23 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1n89 h GLU 23 CO -0.00 0.07 0.38 0.00 -0.73 0.00 0.00 179.01 178.72 1n89 h GLY 26 N -0.81 0.37 0.37 0.00 0.00 -1.34 -1.98 103.07 99.69 1n89 h GLY 26 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1n89 h GLY 26 CO 0.00 0.18 -0.18 3.43 0.00 0.00 0.00 176.54 179.98 1n89 h ASN 27 N 0.34 -0.42 -0.80 0.19 4.21 -1.29 -3.05 115.58 114.76 1n89 h ASN 27 Ca 0.08 0.01 0.23 0.00 1.21 0.00 0.00 56.30 57.84 1n89 h ASN 27 Cb 0.21 0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 1n89 h ASN 27 CO 0.00 -0.21 0.64 0.17 -1.29 0.00 0.00 177.43 176.74 1n89 h LEU 28 N -0.66 0.00 -0.80 1.61 8.10 -1.52 0.17 115.31 122.21 1n89 h LEU 28 Ca -0.05 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.03 1n89 h LEU 28 Cb 0.38 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.53 1n89 h LEU 28 CO 0.08 0.00 0.46 -0.09 -4.11 0.00 0.00 178.44 174.78 1n89 h ARG 29 N 0.00 0.76 -0.21 0.17 2.43 -1.24 0.28 114.38 116.57 1n89 h ARG 29 Ca 0.38 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.57 1n89 h ARG 29 Cb 1.66 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 1n89 h ARG 29 CO -0.00 0.50 0.30 0.00 -1.51 0.00 0.00 179.97 179.26 1n89 h ALA 30 N 1.44 1.75 -0.47 2.80 0.00 -0.64 -2.98 119.26 121.16 1n89 h ALA 30 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1n89 h ALA 30 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n89 h ALA 30 CO -0.24 -0.41 0.00 1.04 0.00 0.00 0.00 179.25 179.64 1n89 n GLN 31 N -3.51 0.00 -1.25 0.00 6.02 0.95 -4.88 117.38 114.72 1n89 n GLN 31 Ca 0.02 0.40 -0.09 0.00 -0.01 0.00 0.00 57.00 57.33 1n89 n GLN 31 Cb 0.42 -0.90 -0.04 0.00 1.02 0.00 0.00 30.24 30.75 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 -1.79 -1.22 -0.41 -1.09 -0.06 -0.97 -4.31 117.38 107.53 1n89 n GLN 32 Ca 0.00 0.53 -0.01 0.00 -2.00 0.00 0.00 57.00 55.52 1n89 n GLN 32 Cb 0.00 -4.68 -0.01 0.00 -4.06 0.00 0.00 30.24 21.49 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 -0.16 0.00 1.69 0.00 -1.26 -5.00 105.19 100.30 1n89 n GLY 33 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.51 -0.24 0.00 -5.15 -1.92 0.23 116.94 109.34 1n89 h PHE 35 Ca 0.00 0.01 0.04 0.00 -0.20 0.00 0.00 57.97 57.83 1n89 h PHE 35 Cb 0.24 0.22 -0.04 0.00 0.22 0.00 0.00 35.95 36.58 1n89 h PHE 35 CO 0.00 -0.28 -0.03 0.00 -2.00 0.00 0.00 178.31 176.00 1n89 h GLN 37 N 0.04 0.00 0.00 0.00 3.07 -1.80 -2.52 115.11 113.90 1n89 h GLN 37 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.86 1n89 h GLN 37 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.72 1n89 h GLN 37 CO -0.22 0.24 -0.01 1.88 0.09 0.00 0.00 178.83 180.81 1n89 h TYR 38 N 0.00 0.00 -0.01 0.06 0.05 0.54 -1.60 116.97 116.01 1n89 h TYR 38 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1n89 h TYR 38 Cb 0.57 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 1n89 h TYR 38 CO 0.00 0.01 0.20 0.00 -1.05 0.00 0.00 178.16 177.32 1n89 h ALA 39 N 1.99 1.22 0.00 3.88 0.00 -1.36 0.16 119.26 125.15 1n89 h ALA 39 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1n89 h ALA 39 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1n89 h ALA 39 CO 0.00 -0.20 -1.34 1.17 0.00 0.00 0.00 179.25 178.87 1n89 n LYS 40 N -2.98 0.62 -2.00 0.00 3.00 -0.60 -4.85 118.16 111.35 1n89 n LYS 40 Ca -0.02 0.16 -0.43 0.00 -0.00 0.00 0.00 58.31 58.01 1n89 n LYS 40 Cb 0.26 -1.79 -0.03 0.00 0.00 0.00 0.00 35.03 33.48 1n89 n LYS 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1n89 s ASP 41 N -5.55 6.06 -0.53 3.14 2.15 0.55 -4.96 116.67 117.53 1n89 s ASP 41 Ca -0.03 1.52 -0.22 0.00 0.43 0.00 0.00 52.55 54.25 1n89 s ASP 41 Cb 0.09 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.23 1n89 s ASP 41 CO 0.81 -1.54 0.82 -2.16 -0.17 0.00 0.00 175.17 172.93 1n89 s PRO 42 N 5.30 3.26 0.00 4.34 0.04 -1.26 -4.49 135.00 142.20 1n89 s PRO 42 Ca 0.79 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1n89 s PRO 42 Cb -0.25 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1n89 s PRO 42 CO 0.33 -1.37 0.00 0.25 0.04 0.00 0.00 177.00 176.24 1n89 n THR 43 N 5.99 0.00 0.06 1.26 -2.24 -1.26 -5.01 114.28 113.07 1n89 n THR 43 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1n89 n THR 43 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1n89 n THR 43 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1n89 h TYR 44 N 0.00 -0.22 -3.42 4.78 -1.99 -1.98 -3.47 116.97 110.67 1n89 h TYR 44 Ca 0.00 -0.01 -0.37 0.00 2.00 0.00 0.00 58.73 60.35 1n89 h TYR 44 Cb 0.00 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1n89 h TYR 44 CO 0.00 -0.14 -0.49 0.41 -0.00 0.00 0.00 178.16 177.95 1n89 n GLY 45 N 1.08 -0.50 0.11 3.88 0.00 -1.26 -4.54 105.19 103.97 1n89 n GLY 45 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.07 0.00 0.23 1.61 7.27 -1.26 -4.86 117.38 117.29 1n89 n GLN 46 Ca -0.20 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.71 1n89 n GLN 46 Cb 0.66 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.23 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 -0.53 -0.02 3.69 5.03 -1.94 -1.13 116.97 122.07 1n89 h TYR 47 Ca 0.00 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 1n89 h TYR 47 Cb 0.00 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.46 1n89 h TYR 47 CO 0.00 -0.32 -0.20 0.82 -1.32 0.00 0.00 178.16 177.14 1n89 h ILE 48 N -0.54 1.52 -0.04 1.81 2.04 -1.95 -3.23 117.51 117.13 1n89 h ILE 48 Ca -0.05 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 1n89 h ILE 48 Cb 0.43 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1n89 h ILE 48 CO 0.07 0.49 0.02 0.54 0.00 0.00 0.00 178.15 179.27 1n89 n ARG 49 N -4.56 1.06 -2.74 2.37 1.74 -1.23 -4.65 116.66 108.66 1n89 n ARG 49 Ca -0.09 -0.12 -0.33 0.00 -0.77 0.00 0.00 57.85 56.55 1n89 n ARG 49 Cb 0.46 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 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 0.77 6.81 0.06 0.55 0.15 -0.43 -4.84 113.70 116.77 1n89 s SER 50 Ca 0.02 1.58 -0.16 0.00 0.70 0.00 0.00 55.95 58.09 1n89 s SER 50 Cb 0.02 -2.50 -0.17 0.00 -1.71 0.00 0.00 66.02 61.65 1n89 s SER 50 CO 0.00 -0.41 1.25 1.55 1.20 0.00 0.00 173.24 176.84 1n89 h PRO 51 N 1.64 0.61 0.00 5.44 0.13 -1.86 -3.24 132.00 134.71 1n89 h PRO 51 Ca -0.48 -0.50 -0.14 0.00 -0.87 0.00 0.00 66.00 64.02 1n89 h PRO 51 Cb 1.18 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1n89 h PRO 51 CO 0.62 1.12 -0.66 0.45 -0.23 0.00 0.00 178.00 179.29 1n89 h HIS 52 N 0.25 0.00 0.12 1.56 3.86 -1.86 -3.34 115.15 115.74 1n89 h HIS 52 Ca -0.04 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1n89 h HIS 52 Cb 1.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 1n89 h HIS 52 CO 0.11 0.64 -0.14 0.00 0.86 0.00 0.00 177.93 179.39 1n89 h ALA 53 N 1.36 -0.27 -0.69 2.45 0.00 -1.66 -1.80 119.26 118.65 1n89 h ALA 53 Ca -0.01 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1n89 h ALA 53 Cb 1.49 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1n89 h ALA 53 CO 0.08 -0.67 0.47 -0.09 0.00 0.00 0.00 179.25 179.04 1n89 h ARG 54 N -0.30 0.23 -0.28 0.00 2.43 -1.67 0.07 114.38 114.85 1n89 h ARG 54 Ca 0.01 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1n89 h ARG 54 Cb 0.30 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1n89 h ARG 54 CO -0.05 0.15 -0.45 0.22 -1.51 0.00 0.00 179.97 178.33 1n89 h ASP 55 N 0.24 0.89 -0.09 -3.80 3.58 -1.51 -2.21 116.42 113.51 1n89 h ASP 55 Ca 0.34 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1n89 h ASP 55 Cb 0.98 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1n89 h ASP 55 CO -0.07 1.23 0.06 0.74 -2.88 0.00 0.00 179.24 178.32 1n89 h THR 56 N 0.57 1.02 0.01 2.25 2.02 -0.21 0.38 112.91 118.94 1n89 h THR 56 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1n89 h THR 56 Cb 1.05 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1n89 h THR 56 CO 0.10 0.02 -0.02 -0.07 0.37 0.00 0.00 175.52 175.93 1n89 h LEU 57 N 0.12 -0.04 -0.56 2.58 4.07 -1.36 -2.34 115.31 117.77 1n89 h LEU 57 Ca 0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1n89 h LEU 57 Cb -0.01 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1n89 h LEU 57 CO -0.01 -0.02 0.36 0.74 -1.08 0.00 0.00 178.44 178.42 1n89 h THR 58 N -0.03 1.16 -0.86 0.22 2.02 -1.23 -0.03 112.91 114.16 1n89 h THR 58 Ca 0.00 -0.32 0.22 0.00 0.77 0.00 0.00 66.41 67.09 1n89 h THR 58 Cb 0.04 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 1n89 h THR 58 CO -0.01 0.16 0.59 -1.28 0.37 0.00 0.00 175.52 175.35 1n89 h SER 59 N 0.76 0.21 0.58 4.18 0.87 0.05 0.43 113.55 120.63 1n89 h SER 59 Ca 0.20 0.02 -0.28 0.00 -1.23 0.00 0.00 61.79 60.50 1n89 h SER 59 Cb -0.05 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1n89 h SER 59 CO -0.04 0.08 -1.28 0.00 -0.53 0.00 0.00 176.83 175.06 1n89 n GLY 61 N 1.56 -0.26 0.30 0.00 0.00 0.15 -5.02 105.19 101.93 1n89 n GLY 61 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.57 0.00 0.00 0.99 -0.00 -1.25 -5.08 117.00 109.09 1n89 n LEU 62 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.94 1n89 n LEU 62 Cb 0.58 -0.03 -0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1n89 n LEU 62 CO 0.35 -0.18 0.02 0.00 -0.00 0.00 0.00 177.39 177.58 1n89 n ALA 63 N -1.58 -0.04 -3.19 1.47 0.00 -1.26 -5.15 120.51 110.76 1n89 n ALA 63 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1n89 n ALA 63 Cb 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.43 1n89 n ALA 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n89 s VAL 64 N -2.54 -0.00 0.00 0.00 1.01 -1.26 -4.78 120.40 112.83 1n89 s VAL 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1n89 s VAL 64 Cb -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1n89 s VAL 64 CO 0.01 0.00 0.00 -0.81 0.00 0.00 0.00 175.10 174.30 1n89 n PRO 65 N 2.95 1.01 -3.09 2.72 -0.04 -1.26 -4.44 135.00 132.85 1n89 n PRO 65 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1n89 n PRO 65 Cb 0.58 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.08 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 -1.03 -2.06 0.81 0.54 8.25 -1.26 -5.03 115.22 115.44 1n89 n HIS 66 Ca 0.00 0.59 0.10 0.00 -0.26 0.00 0.00 57.72 58.14 1n89 n HIS 66 Cb 0.00 -4.50 0.08 0.00 1.12 0.00 0.00 29.99 26.69 1n89 n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98