#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t12 s ILE 2 N 0.00 3.08 0.08 0.00 -5.25 -1.26 -5.03 121.20 112.83 1t12 s ILE 2 Ca 0.00 0.80 0.02 0.00 -0.99 0.00 0.00 60.65 60.47 1t12 s ILE 2 Cb 0.00 -3.51 -0.04 0.00 2.95 0.00 0.00 42.46 41.86 1t12 s ILE 2 CO 0.00 0.07 -0.07 0.42 -1.79 0.00 0.00 174.94 173.58 1t12 s THR 3 N 0.91 0.62 0.43 8.37 -4.23 -1.26 -5.05 115.64 115.43 1t12 s THR 3 Ca 0.65 -1.71 0.15 0.00 -1.18 0.00 0.00 61.69 59.60 1t12 s THR 3 Cb -0.39 -1.40 0.17 0.00 1.34 0.00 0.00 72.50 72.23 1t12 s THR 3 CO 0.32 -0.76 1.97 0.00 -0.54 0.00 0.00 174.62 175.61 1t12 h GLY 5 N 0.69 1.35 0.93 0.00 0.00 -1.98 0.32 103.07 104.38 1t12 h GLY 5 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1t12 h GLY 5 CO 0.03 0.03 0.14 1.46 0.00 0.00 0.00 176.54 178.20 1t12 h GLN 6 N 0.69 0.46 -0.43 4.80 4.20 -1.95 0.35 115.11 123.23 1t12 h GLN 6 Ca 0.44 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 59.02 1t12 h GLN 6 Cb 0.54 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1t12 h GLN 6 CO -0.32 0.44 0.03 0.28 -0.67 0.00 0.00 178.83 178.59 1t12 h VAL 7 N 0.36 1.25 -0.24 -0.54 2.07 -1.46 -0.50 116.25 117.19 1t12 h VAL 7 Ca 0.11 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1t12 h VAL 7 Cb 0.14 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1t12 h VAL 7 CO -0.01 0.33 0.12 0.74 0.02 0.00 0.00 177.57 178.77 1t12 h THR 8 N 0.58 1.14 -0.38 2.57 2.02 -0.19 -1.62 112.91 117.03 1t12 h THR 8 Ca 0.13 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.96 1t12 h THR 8 Cb 0.44 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1t12 h THR 8 CO 0.02 0.14 0.13 -1.28 0.37 0.00 0.00 175.52 174.89 1t12 h SER 9 N 0.27 0.14 -0.79 4.18 0.87 -0.01 0.59 113.55 118.79 1t12 h SER 9 Ca 0.08 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 1t12 h SER 9 Cb 0.11 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1t12 h SER 9 CO -0.01 0.12 0.44 0.78 -0.53 0.00 0.00 176.83 177.63 1t12 h ASN 10 N 0.29 0.62 -0.65 6.23 2.35 -0.81 -2.07 115.58 121.54 1t12 h ASN 10 Ca 0.17 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.77 1t12 h ASN 10 Cb 0.15 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.33 1t12 h ASN 10 CO -0.18 0.36 0.26 0.18 -1.65 0.00 0.00 177.43 176.40 1t12 n LEU 11 N -4.77 5.55 0.05 1.61 4.32 -0.41 -4.31 117.00 119.03 1t12 n LEU 11 Ca 0.13 -2.89 -0.11 0.00 -0.02 0.00 0.00 56.01 53.12 1t12 n LEU 11 Cb 0.27 -0.72 -0.05 0.00 -1.62 0.00 0.00 43.42 41.31 1t12 n LEU 11 CO 0.26 0.75 0.78 0.00 -1.22 0.00 0.00 177.39 177.96 1t12 h ALA 12 N 2.52 -0.14 -0.05 -1.18 0.00 -0.19 -0.37 119.26 119.84 1t12 h ALA 12 Ca 0.25 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1t12 h ALA 12 Cb 2.14 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.16 1t12 h ALA 12 CO 0.66 -0.62 -0.34 -1.35 0.00 0.00 0.00 179.25 177.60 1t12 h PRO 13 N -0.22 0.10 -0.89 0.00 0.11 -1.85 -2.47 132.00 126.79 1t12 h PRO 13 Ca 0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1t12 h PRO 13 Cb 0.28 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1t12 h PRO 13 CO -0.14 0.44 0.51 0.00 -0.21 0.00 0.00 178.00 178.60 1t12 h LEU 15 N 1.24 0.49 -0.21 0.00 3.38 -0.62 0.25 115.31 119.83 1t12 h LEU 15 Ca 0.32 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1t12 h LEU 15 Cb -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1t12 h LEU 15 CO -0.05 0.31 0.07 0.00 0.09 0.00 0.00 178.44 178.85 1t12 h ALA 16 N 1.35 0.28 -0.83 1.53 0.00 -1.35 -2.63 119.26 117.61 1t12 h ALA 16 Ca 0.30 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.24 1t12 h ALA 16 Cb 0.22 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1t12 h ALA 16 CO -0.20 -0.10 0.37 -0.92 0.00 0.00 0.00 179.25 178.40 1t12 h TYR 17 N 0.18 0.63 -1.00 0.00 3.20 0.57 0.11 116.97 120.66 1t12 h TYR 17 Ca 0.07 0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.19 1t12 h TYR 17 Cb 0.23 -0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.24 1t12 h TYR 17 CO 0.00 0.06 0.61 -0.07 -1.64 0.00 0.00 178.16 177.13 1t12 h LEU 18 N 0.49 0.71 -2.65 2.82 3.38 -0.18 0.14 115.31 120.02 1t12 h LEU 18 Ca 0.48 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.38 1t12 h LEU 18 Cb 0.77 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1t12 h LEU 18 CO -0.43 0.22 0.21 -1.14 0.09 0.00 0.00 178.44 177.38 1t12 n ARG 19 N -4.76 1.78 -4.11 1.13 0.63 0.37 -3.17 116.66 108.53 1t12 n ARG 19 Ca 0.24 -1.26 -0.28 0.00 -0.92 0.00 0.00 57.85 55.62 1t12 n ARG 19 Cb 0.65 -1.57 -0.05 0.00 0.45 0.00 0.00 32.46 31.94 1t12 n ARG 19 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t12 n ASN 20 N -0.08 0.02 0.05 6.15 3.02 0.49 -4.83 115.26 120.08 1t12 n ASN 20 Ca 0.22 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1t12 n ASN 20 Cb 0.91 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 1t12 n ASN 20 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1t12 n THR 21 N -4.47 0.05 -3.90 3.41 5.66 -1.15 -5.05 114.28 108.84 1t12 n THR 21 Ca -0.29 0.02 -0.34 0.00 -3.05 0.00 0.00 64.05 60.38 1t12 n THR 21 Cb 0.68 -0.61 -0.05 0.00 -1.55 0.00 0.00 70.33 68.80 1t12 n THR 21 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1t12 s GLY 22 N -4.96 2.18 0.44 1.09 0.00 -1.20 -4.91 107.32 99.96 1t12 s GLY 22 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 44.72 43.90 1t12 s GLY 22 CO 0.00 -0.62 0.42 -1.05 0.00 0.00 0.00 173.10 171.86 1t12 n PRO 23 N 1.07 -1.57 0.05 2.90 -0.02 -1.26 -2.02 135.00 134.15 1t12 n PRO 23 Ca -0.12 -0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 60.49 1t12 n PRO 23 Cb 0.53 -0.59 -0.13 0.00 -0.02 0.00 0.00 33.50 33.28 1t12 n PRO 23 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1t12 h LEU 24 N 0.00 0.60 0.00 2.45 -0.00 -1.97 -3.40 115.31 113.00 1t12 h LEU 24 Ca -0.15 -0.88 0.00 0.00 -0.00 0.00 0.00 57.88 56.85 1t12 h LEU 24 Cb 0.46 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1t12 h LEU 24 CO 0.10 1.42 0.00 0.61 -0.00 0.00 0.00 178.44 180.57 1t12 n GLY 25 N 1.46 3.47 0.91 0.83 0.00 -1.26 -0.58 105.19 110.01 1t12 n GLY 25 Ca -0.13 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1t12 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t12 n ARG 26 N 14.00 2.35 -0.28 1.61 5.12 -1.26 -4.24 116.66 133.96 1t12 n ARG 26 Ca 0.00 -1.46 0.05 0.00 -1.93 0.00 0.00 57.85 54.51 1t12 n ARG 26 Cb 0.00 -1.55 0.19 0.00 -1.16 0.00 0.00 32.46 29.94 1t12 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t12 h GLY 29 N 0.79 1.39 1.41 0.00 0.00 -1.76 0.60 103.07 105.51 1t12 h GLY 29 Ca 0.53 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1t12 h GLY 29 CO -0.35 0.51 -0.11 -1.33 0.00 0.00 0.00 176.54 175.27 1t12 h GLY 30 N 1.34 0.76 0.98 4.60 0.00 -0.21 -1.49 103.07 109.05 1t12 h GLY 30 Ca 0.36 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1t12 h GLY 30 CO -0.08 0.51 0.25 -2.08 0.00 0.00 0.00 176.54 175.15 1t12 h VAL 31 N 0.64 1.19 -0.64 4.60 2.07 0.17 -1.52 116.25 122.76 1t12 h VAL 31 Ca 0.11 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.22 1t12 h VAL 31 Cb 0.56 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1t12 h VAL 31 CO 0.03 0.21 0.25 0.50 0.02 0.00 0.00 177.57 178.58 1t12 h LYS 32 N 0.67 0.42 -0.78 1.57 3.64 -0.55 -0.11 116.57 121.44 1t12 h LYS 32 Ca 0.17 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1t12 h LYS 32 Cb 0.09 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 1t12 h LYS 32 CO -0.02 0.28 0.38 0.00 -2.27 0.00 0.00 179.45 177.82 1t12 h ALA 33 N 1.43 1.12 -0.57 5.00 0.00 -0.30 0.12 119.26 126.06 1t12 h ALA 33 Ca 0.32 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.39 1t12 h ALA 33 Cb 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1t12 h ALA 33 CO -0.31 -0.08 0.38 -0.07 0.00 0.00 0.00 179.25 179.17 1t12 h LEU 34 N 0.59 0.39 -0.07 0.00 3.38 -0.29 -0.58 115.31 118.73 1t12 h LEU 34 Ca 0.41 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.42 1t12 h LEU 34 Cb 0.52 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1t12 h LEU 34 CO -0.33 0.24 -0.18 0.58 0.09 0.00 0.00 178.44 178.84 1t12 h VAL 35 N 0.44 0.55 -0.42 1.22 2.07 -0.37 1.16 116.25 120.90 1t12 h VAL 35 Ca 0.26 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.64 1t12 h VAL 35 Cb 0.45 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1t12 h VAL 35 CO -0.07 0.00 -0.29 -0.55 0.02 0.00 0.00 177.57 176.67 1t12 h ASN 36 N -0.26 0.97 0.20 0.57 7.08 -1.39 -0.53 115.58 122.21 1t12 h ASN 36 Ca 0.08 -0.40 -0.01 0.00 -3.08 0.00 0.00 56.30 52.89 1t12 h ASN 36 Cb 0.37 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 36.34 1t12 h ASN 36 CO -0.22 1.18 -0.10 -1.28 -2.08 0.00 0.00 177.43 174.93 1t12 h SER 37 N 0.78 -0.23 -0.78 6.14 0.87 -0.43 -3.24 113.55 116.67 1t12 h SER 37 Ca 0.09 0.01 0.18 0.00 -1.23 0.00 0.00 61.79 60.83 1t12 h SER 37 Cb 0.87 0.06 -0.14 0.00 -0.44 0.00 0.00 62.40 62.75 1t12 h SER 37 CO 0.08 -0.12 -0.05 0.00 -0.53 0.00 0.00 176.83 176.21 1t12 h ALA 38 N -1.80 0.74 0.00 6.23 0.00 0.13 0.20 119.26 124.77 1t12 h ALA 38 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1t12 h ALA 38 Cb 0.20 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1t12 h ALA 38 CO 0.04 -0.43 0.32 0.54 0.00 0.00 0.00 179.25 179.72 1t12 n ARG 39 N -5.40 0.04 -0.81 0.00 5.12 -0.21 -1.82 116.66 113.58 1t12 n ARG 39 Ca 0.14 0.40 -0.14 0.00 -1.93 0.00 0.00 57.85 56.32 1t12 n ARG 39 Cb 0.48 -1.95 0.04 0.00 -1.16 0.00 0.00 32.46 29.87 1t12 n ARG 39 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1t12 n THR 40 N -1.62 2.60 0.00 0.55 -1.04 0.71 -4.96 114.28 110.52 1t12 n THR 40 Ca -0.00 -1.43 0.00 0.00 -2.04 0.00 0.00 64.05 60.58 1t12 n THR 40 Cb 0.33 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1t12 n THR 40 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1t12 n THR 41 N 0.47 0.00 -0.02 12.58 -1.04 -0.76 -3.28 114.28 122.23 1t12 n THR 41 Ca 0.25 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.14 1t12 n THR 41 Cb 0.60 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.04 1t12 n THR 41 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1t12 h GLU 42 N 0.00 0.13 -1.07 -2.82 4.57 -1.85 -1.30 114.58 112.24 1t12 h GLU 42 Ca 0.00 -0.04 0.31 0.00 -1.18 0.00 0.00 59.36 58.45 1t12 h GLU 42 Cb 0.00 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.45 1t12 h GLU 42 CO 0.00 0.35 0.66 -0.44 -1.18 0.00 0.00 179.01 178.40 1t12 h ASP 43 N -0.10 0.48 -0.38 1.04 5.19 -1.80 0.26 116.42 121.09 1t12 h ASP 43 Ca 0.02 0.13 -0.14 0.00 -0.62 0.00 0.00 57.03 56.42 1t12 h ASP 43 Cb 0.28 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1t12 h ASP 43 CO 0.00 -0.01 -0.31 -0.09 -3.12 0.00 0.00 179.24 175.70 1t12 h ARG 44 N 0.36 0.88 -0.70 3.56 2.43 -1.15 0.41 114.38 120.17 1t12 h ARG 44 Ca 0.68 -0.44 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 1t12 h ARG 44 Cb 1.68 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.17 1t12 h ARG 44 CO -0.43 1.09 0.38 1.96 -1.51 0.00 0.00 179.97 181.46 1t12 h GLN 45 N 0.69 0.66 0.05 0.20 4.20 0.21 0.22 115.11 121.35 1t12 h GLN 45 Ca 0.07 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1t12 h GLN 45 Cb 0.90 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1t12 h GLN 45 CO 0.08 0.44 -0.02 0.82 -0.67 0.00 0.00 178.83 179.48 1t12 h ILE 46 N 0.68 1.05 -0.18 2.54 5.03 -0.77 -2.02 117.51 123.84 1t12 h ILE 46 Ca 0.32 -0.31 0.04 0.00 -0.12 0.00 0.00 64.86 64.79 1t12 h ILE 46 Cb 0.25 1.26 -0.04 0.00 -3.03 0.00 0.00 36.82 35.25 1t12 h ILE 46 CO -0.21 0.08 -0.10 0.00 -0.68 0.00 0.00 178.15 177.24 1t12 h ALA 47 N 0.74 0.04 -0.28 1.87 0.00 0.99 0.34 119.26 122.97 1t12 h ALA 47 Ca -0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1t12 h ALA 47 Cb 0.18 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1t12 h ALA 47 CO 0.01 -0.54 0.09 0.00 0.00 0.00 0.00 179.25 178.82 1t12 h THR 49 N 0.22 1.07 -0.43 0.00 2.02 -0.57 0.37 112.91 115.59 1t12 h THR 49 Ca 0.13 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1t12 h THR 49 Cb 0.10 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1t12 h THR 49 CO -0.13 0.07 0.28 0.00 0.37 0.00 0.00 175.52 176.11 1t12 h LEU 51 N 0.58 0.41 -0.81 0.00 3.38 0.05 0.17 115.31 119.09 1t12 h LEU 51 Ca 0.16 -0.53 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1t12 h LEU 51 Cb -0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 1t12 h LEU 51 CO -0.03 0.85 0.44 0.50 0.09 0.00 0.00 178.44 180.29 1t12 h LYS 52 N -0.03 0.71 -0.12 1.13 3.64 -0.19 0.24 116.57 121.96 1t12 h LYS 52 Ca 0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1t12 h LYS 52 Cb 0.76 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1t12 h LYS 52 CO 0.05 0.47 -0.04 0.77 -2.27 0.00 0.00 179.45 178.43 1t12 h SER 53 N 0.73 0.24 0.20 4.20 0.02 -0.70 0.11 113.55 118.35 1t12 h SER 53 Ca 0.40 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1t12 h SER 53 Cb 0.40 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1t12 h SER 53 CO -0.27 0.57 -0.34 0.00 -1.14 0.00 0.00 176.83 175.66 1t12 h ALA 54 N 0.68 -0.92 -0.89 3.77 0.00 0.14 0.24 119.26 122.27 1t12 h ALA 54 Ca 0.03 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1t12 h ALA 54 Cb 0.47 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1t12 h ALA 54 CO 0.01 -0.98 0.56 0.00 0.00 0.00 0.00 179.25 178.84 1t12 h ALA 55 N -1.04 1.23 -0.68 0.00 0.00 -0.60 0.90 119.26 119.07 1t12 h ALA 55 Ca -0.02 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1t12 h ALA 55 Cb 0.53 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1t12 h ALA 55 CO -0.12 0.30 0.45 0.78 0.00 0.00 0.00 179.25 180.66 1t12 h GLY 56 N 1.00 0.86 1.66 0.00 0.00 -0.31 -1.64 103.07 104.63 1t12 h GLY 56 Ca 0.39 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 1t12 h GLY 56 CO -0.18 0.20 -0.37 0.00 0.00 0.00 0.00 176.54 176.19 1t12 h ALA 57 N 1.64 1.04 -2.39 3.60 0.00 0.20 -3.43 119.26 119.90 1t12 h ALA 57 Ca 0.29 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 54.26 1t12 h ALA 57 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1t12 h ALA 57 CO -0.09 0.60 0.86 0.42 0.00 0.00 0.00 179.25 181.03 1t12 s ILE 58 N -4.26 3.56 -0.08 0.00 -1.09 -0.62 -4.94 121.20 113.77 1t12 s ILE 58 Ca -0.06 0.96 -0.24 0.00 -2.23 0.00 0.00 60.65 59.08 1t12 s ILE 58 Cb 0.13 -3.62 -0.20 0.00 -1.58 0.00 0.00 42.46 37.19 1t12 s ILE 58 CO 0.79 0.00 0.87 0.28 -1.23 0.00 0.00 174.94 175.65 1t12 h SER 59 N 7.90 -0.05 -0.16 3.58 0.02 -1.84 -3.30 113.55 119.70 1t12 h SER 59 Ca -0.39 -0.64 -0.27 0.00 -0.84 0.00 0.00 61.79 59.65 1t12 h SER 59 Cb 1.18 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.66 1t12 h SER 59 CO 0.91 0.68 0.00 0.61 -1.14 0.00 0.00 176.83 177.89 1t12 n GLY 60 N 1.01 3.29 3.76 -3.77 0.00 -1.26 -4.93 105.19 103.29 1t12 n GLY 60 Ca -0.08 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 1t12 n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1t12 s ILE 61 N 0.60 4.65 -0.27 -0.61 -1.16 -1.25 -4.15 121.20 119.02 1t12 s ILE 61 Ca 0.66 1.60 -0.08 0.00 -0.51 0.00 0.00 60.65 62.31 1t12 s ILE 61 Cb 0.32 -4.09 -0.03 0.00 0.61 0.00 0.00 42.46 39.27 1t12 s ILE 61 CO -0.04 0.42 0.10 0.20 -2.81 0.00 0.00 174.94 172.82 1t12 s ASN 62 N -0.41 5.35 0.20 4.50 -0.87 -1.19 -4.99 114.94 117.53 1t12 s ASN 62 Ca 0.37 -0.26 -0.11 0.00 -1.57 0.00 0.00 52.86 51.30 1t12 s ASN 62 Cb -0.21 -1.97 0.20 0.00 -0.02 0.00 0.00 41.25 39.26 1t12 s ASN 62 CO 0.23 -0.07 1.80 0.25 -2.57 0.00 0.00 177.10 176.74 1t12 h LEU 63 N 8.28 0.48 -1.20 0.60 5.85 -1.96 -1.13 115.31 126.22 1t12 h LEU 63 Ca -0.36 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.50 1t12 h LEU 63 Cb 1.17 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1t12 h LEU 63 CO 0.58 0.32 0.58 1.23 -0.34 0.00 0.00 178.44 180.81 1t12 h GLY 64 N 0.62 1.31 0.60 3.75 0.00 -1.97 0.10 103.07 107.48 1t12 h GLY 64 Ca 0.27 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1t12 h GLY 64 CO -0.17 0.15 -0.17 0.50 0.00 0.00 0.00 176.54 176.85 1t12 h LYS 65 N 0.83 0.23 -0.39 4.80 1.57 -1.67 0.93 116.57 122.87 1t12 h LYS 65 Ca 0.44 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 59.14 1t12 h LYS 65 Cb 0.53 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 1t12 h LYS 65 CO -0.20 0.77 -0.30 0.00 -0.57 0.00 0.00 179.45 179.15 1t12 h ALA 66 N 0.46 -0.12 0.00 3.86 0.00 -0.61 0.25 119.26 123.10 1t12 h ALA 66 Ca -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1t12 h ALA 66 Cb 0.78 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1t12 h ALA 66 CO 0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 179.25 178.59 1t12 h ALA 67 N 0.84 1.00 0.00 0.00 0.00 -0.79 -2.84 119.26 117.46 1t12 h ALA 67 Ca 0.18 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1t12 h ALA 67 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1t12 h ALA 67 CO -0.52 0.00 -0.46 0.78 0.00 0.00 0.00 179.25 179.05 1t12 h GLY 68 N 2.02 0.00 0.14 0.00 0.00 0.40 -3.37 103.07 102.26 1t12 h GLY 68 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1t12 h GLY 68 CO 0.00 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 177.76 1t12 h LEU 69 N 0.00 -0.63 -2.58 3.11 3.38 -0.45 0.44 115.31 118.58 1t12 h LEU 69 Ca -0.00 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1t12 h LEU 69 Cb 1.11 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1t12 h LEU 69 CO 0.06 -0.22 0.04 1.55 0.09 0.00 0.00 178.44 179.96 1t12 h PRO 70 N -0.15 0.00 0.00 1.13 0.13 -1.78 0.18 132.00 131.52 1t12 h PRO 70 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1t12 h PRO 70 Cb 0.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1t12 h PRO 70 CO -0.41 0.00 -0.14 1.03 -0.23 0.00 0.00 178.00 178.25 1t12 h SER 71 N 0.00 0.00 -0.22 1.44 0.87 -0.69 -3.11 113.55 111.84 1t12 h SER 71 Ca 0.01 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1t12 h SER 71 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1t12 h SER 71 CO -0.00 0.82 0.13 0.74 -0.53 0.00 0.00 176.83 178.00 1t12 h THR 72 N -1.00 1.09 -2.35 2.23 2.02 -0.17 -2.60 112.91 112.13 1t12 h THR 72 Ca -0.03 -0.21 -0.77 0.00 0.77 0.00 0.00 66.41 66.17 1t12 h THR 72 Cb 0.59 0.83 -0.21 0.00 -1.74 0.00 0.00 68.15 67.62 1t12 h THR 72 CO -0.02 0.08 1.27 0.00 0.37 0.00 0.00 175.52 177.23 1t12 n GLY 74 N 2.77 0.73 0.00 0.00 0.00 -0.98 -4.48 105.19 103.22 1t12 n GLY 74 Ca 0.33 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.28 1t12 n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1t12 n VAL 75 N 6.04 0.00 -2.66 1.61 0.24 -1.24 -5.02 118.33 117.29 1t12 n VAL 75 Ca 0.34 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.47 1t12 n VAL 75 Cb 0.19 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.57 1t12 n VAL 75 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1t12 n ASN 76 N 0.00 2.79 -4.71 -1.34 5.15 -1.26 -5.08 115.26 110.82 1t12 n ASN 76 Ca 0.00 -3.17 -0.42 0.00 -0.60 0.00 0.00 54.58 50.39 1t12 n ASN 76 Cb 0.00 -0.51 -0.03 0.00 -0.53 0.00 0.00 39.78 38.70 1t12 n ASN 76 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1t12 s ILE 77 N -4.03 4.88 0.00 -1.44 -4.36 -1.26 -4.91 121.20 110.08 1t12 s ILE 77 Ca 0.37 1.95 0.00 0.00 -0.26 0.00 0.00 60.65 62.72 1t12 s ILE 77 Cb 0.42 -4.27 0.00 0.00 1.25 0.00 0.00 42.46 39.85 1t12 s ILE 77 CO -0.07 0.14 1.05 -2.65 0.24 0.00 0.00 174.94 173.65 1t12 n PRO 78 N 4.14 0.57 -3.59 0.37 -0.02 -1.26 -4.80 135.00 130.41 1t12 n PRO 78 Ca 0.05 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 1t12 n PRO 78 Cb 0.51 -1.22 -0.02 0.00 -0.02 0.00 0.00 33.50 32.75 1t12 n PRO 78 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1t12 s TYR 79 N 0.80 -0.34 -0.45 6.00 1.13 -1.26 -5.05 117.35 118.18 1t12 s TYR 79 Ca 0.00 0.09 0.15 0.00 -1.41 0.00 0.00 57.07 55.90 1t12 s TYR 79 Cb 0.00 0.60 0.56 0.00 -1.10 0.00 0.00 41.96 42.01 1t12 s TYR 79 CO 0.00 -0.83 1.47 0.36 -2.51 0.00 0.00 175.55 174.04 1t12 n LYS 80 N -0.37 3.31 -2.87 -3.49 2.85 -1.26 -4.90 118.16 111.43 1t12 n LYS 80 Ca -0.10 -2.75 -0.21 0.00 -1.05 0.00 0.00 58.31 54.20 1t12 n LYS 80 Cb 0.62 -1.81 0.03 0.00 -0.65 0.00 0.00 35.03 33.22 1t12 n LYS 80 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1t12 n ILE 81 N 0.04 -1.74 -3.24 0.58 5.41 -1.26 -3.50 119.36 115.65 1t12 n ILE 81 Ca 0.21 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.57 1t12 n ILE 81 Cb 0.85 -3.27 -0.06 0.00 -0.71 0.00 0.00 39.64 36.46 1t12 n ILE 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1t12 s SER 82 N -2.62 6.94 -0.85 4.38 0.01 -1.26 -4.55 113.70 115.75 1t12 s SER 82 Ca 0.24 1.12 -0.20 0.00 1.31 0.00 0.00 55.95 58.42 1t12 s SER 82 Cb -0.10 -2.35 -0.13 0.00 0.21 0.00 0.00 66.02 63.65 1t12 s SER 82 CO 0.29 0.12 1.98 -0.81 0.41 0.00 0.00 173.24 175.23 1t12 n PRO 83 N 2.68 1.70 0.02 12.44 -0.04 -1.26 -2.87 135.00 147.67 1t12 n PRO 83 Ca -0.08 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1t12 n PRO 83 Cb 0.51 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1t12 n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1t12 n SER 84 N 7.01 -0.40 -2.87 3.54 7.64 -1.26 -4.98 113.62 122.30 1t12 n SER 84 Ca 0.49 0.12 -0.41 0.00 1.01 0.00 0.00 58.87 60.09 1t12 n SER 84 Cb 0.38 0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 64.13 1t12 n SER 84 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1t12 n THR 85 N -2.43 0.00 -3.23 0.44 -1.04 -1.14 -4.89 114.28 101.99 1t12 n THR 85 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1t12 n THR 85 Cb 0.00 -0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.12 1t12 n THR 85 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1t12 s ASP 86 N 3.56 6.85 -0.58 8.00 2.15 -1.26 -4.87 116.67 130.53 1t12 s ASP 86 Ca 0.77 1.01 0.06 0.00 0.43 0.00 0.00 52.55 54.83 1t12 s ASP 86 Cb -0.99 -2.34 0.31 0.00 -0.30 0.00 0.00 42.92 39.60 1t12 s ASP 86 CO 0.46 0.02 0.85 0.00 -0.17 0.00 0.00 175.17 176.33 1t12 h SER 88 N 3.40 0.57 -2.22 0.00 0.02 -1.94 -3.41 113.55 109.97 1t12 h SER 88 Ca 0.15 -0.91 -0.59 0.00 -0.84 0.00 0.00 61.79 59.60 1t12 h SER 88 Cb 0.60 -0.19 -0.42 0.00 0.14 0.00 0.00 62.40 62.54 1t12 h SER 88 CO 0.79 1.69 -0.66 0.29 -1.14 0.00 0.00 176.83 177.79 1t12 n LYS 89 N -3.77 2.74 -4.72 3.45 4.01 -1.26 -5.07 118.16 113.54 1t12 n LYS 89 Ca -0.22 -4.66 -0.32 0.00 -0.51 0.00 0.00 58.31 52.59 1t12 n LYS 89 Cb 1.00 -2.19 -0.12 0.00 -0.51 0.00 0.00 35.03 33.21 1t12 n LYS 89 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1t12 s VAL 90 N -3.39 3.22 -0.35 -0.18 1.01 -1.26 -5.19 120.40 114.25 1t12 s VAL 90 Ca 0.44 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1t12 s VAL 90 Cb 0.22 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1t12 s VAL 90 CO -0.08 0.50 0.59 0.00 0.00 0.00 0.00 175.10 176.11