#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 5.07 0.01 0.00 -1.09 -1.26 -5.11 121.20 118.82 1t12 s ILE 2 Ca 0.00 -0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.13 1t12 s ILE 2 Cb 0.00 -3.81 -0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1t12 s ILE 2 CO 0.00 -0.47 0.10 -0.89 -1.23 0.00 0.00 174.94 172.45 1t12 s THR 3 N -2.23 0.09 0.47 2.92 2.01 -1.26 -5.03 115.64 112.62 1t12 s THR 3 Ca 0.42 -0.76 0.21 0.00 0.31 0.00 0.00 61.69 61.86 1t12 s THR 3 Cb -0.10 -0.42 0.38 0.00 0.01 0.00 0.00 72.50 72.37 1t12 s THR 3 CO 0.34 -0.42 1.94 0.00 -0.69 0.00 0.00 174.62 175.79 1t12 h GLY 5 N 0.23 0.25 1.16 0.00 0.00 -1.99 0.23 103.07 102.96 1t12 h GLY 5 Ca 0.34 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.85 1t12 h GLY 5 CO -0.07 -0.14 0.41 1.46 0.00 0.00 0.00 176.54 178.21 1t12 h GLN 6 N -0.00 0.60 0.05 4.80 7.50 -1.90 -1.16 115.11 125.00 1t12 h GLN 6 Ca 0.17 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.28 1t12 h GLN 6 Cb 0.26 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.66 1t12 h GLN 6 CO -0.37 0.40 -0.02 0.28 -1.50 0.00 0.00 178.83 177.62 1t12 h VAL 7 N 0.62 1.29 -0.92 -0.54 2.07 -0.84 -1.84 116.25 116.09 1t12 h VAL 7 Ca 0.27 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.29 1t12 h VAL 7 Cb 0.26 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1t12 h VAL 7 CO -0.08 0.37 0.59 0.74 0.02 0.00 0.00 177.57 179.21 1t12 h THR 8 N -0.82 1.01 0.27 2.57 2.02 -0.61 -0.05 112.91 117.29 1t12 h THR 8 Ca -0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1t12 h THR 8 Cb 0.66 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1t12 h THR 8 CO 0.01 0.18 -0.13 0.28 0.37 0.00 0.00 175.52 176.23 1t12 h SER 9 N 0.97 -0.30 -0.77 4.18 0.02 -1.18 -2.27 113.55 114.21 1t12 h SER 9 Ca 0.41 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1t12 h SER 9 Cb 0.31 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1t12 h SER 9 CO -0.17 -0.00 0.46 0.78 -1.14 0.00 0.00 176.83 176.75 1t12 h ASN 10 N -0.62 0.92 0.00 3.07 2.35 -1.12 -2.11 115.58 118.09 1t12 h ASN 10 Ca -0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1t12 h ASN 10 Cb 0.44 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1t12 h ASN 10 CO 0.06 0.72 0.00 0.18 -1.65 0.00 0.00 177.43 176.74 1t12 n LEU 11 N -4.49 0.85 0.08 1.61 4.32 -0.05 -4.55 117.00 114.78 1t12 n LEU 11 Ca 0.07 -0.43 -0.12 0.00 -0.02 0.00 0.00 56.01 55.52 1t12 n LEU 11 Cb 0.06 -0.43 -0.05 0.00 -1.62 0.00 0.00 43.42 41.38 1t12 n LEU 11 CO 0.37 0.21 0.70 0.00 -1.22 0.00 0.00 177.39 177.45 1t12 h ALA 12 N 2.12 -0.37 0.00 -1.18 0.00 -0.77 -0.55 119.26 118.51 1t12 h ALA 12 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1t12 h ALA 12 Cb 0.43 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1t12 h ALA 12 CO 0.00 -0.76 -0.43 -1.35 0.00 0.00 0.00 179.25 176.70 1t12 h PRO 13 N -0.41 0.00 -0.86 0.00 0.11 -1.87 -2.33 132.00 126.64 1t12 h PRO 13 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1t12 h PRO 13 Cb 0.47 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.53 1t12 h PRO 13 CO -0.18 0.43 0.53 0.00 -0.21 0.00 0.00 178.00 178.58 1t12 h LEU 15 N 1.17 0.36 -0.91 0.00 3.38 -0.55 0.12 115.31 118.89 1t12 h LEU 15 Ca 0.31 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.36 1t12 h LEU 15 Cb -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1t12 h LEU 15 CO -0.06 0.22 0.60 0.00 0.09 0.00 0.00 178.44 179.29 1t12 h ALA 16 N 1.39 1.18 -0.66 1.53 0.00 -1.32 -1.47 119.26 119.91 1t12 h ALA 16 Ca 0.31 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1t12 h ALA 16 Cb 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1t12 h ALA 16 CO -0.26 0.51 0.26 -0.92 0.00 0.00 0.00 179.25 178.84 1t12 h TYR 17 N 1.20 0.98 -0.83 0.00 3.20 -0.35 -2.52 116.97 118.64 1t12 h TYR 17 Ca 0.35 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1t12 h TYR 17 Cb -0.07 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 37.86 1t12 h TYR 17 CO -0.01 0.75 0.39 -0.07 -1.64 0.00 0.00 178.16 177.59 1t12 h LEU 18 N 0.95 1.09 -0.16 2.82 3.38 0.13 -0.05 115.31 123.47 1t12 h LEU 18 Ca 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1t12 h LEU 18 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1t12 h LEU 18 CO -0.02 0.92 0.00 -1.14 0.09 0.00 0.00 178.44 178.30 1t12 n ARG 19 N -4.32 0.03 -2.96 1.13 0.63 -0.68 -0.54 116.66 109.95 1t12 n ARG 19 Ca 0.08 0.38 -0.13 0.00 -0.92 0.00 0.00 57.85 57.27 1t12 n ARG 19 Cb 0.14 -1.57 0.06 0.00 0.45 0.00 0.00 32.46 31.55 1t12 n ARG 19 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1t12 n ASN 20 N -1.62 -5.38 0.00 6.15 5.15 -0.03 -4.69 115.26 114.83 1t12 n ASN 20 Ca 0.02 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1t12 n ASN 20 Cb 0.11 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 34.99 1t12 n ASN 20 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1t12 n THR 21 N -3.00 0.00 -3.85 -0.44 5.66 -1.14 -5.06 114.28 106.45 1t12 n THR 21 Ca -0.08 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.60 1t12 n THR 21 Cb 0.60 -0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.33 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 -2.02 2.20 0.22 1.09 0.00 -1.15 -4.99 107.32 102.67 1t12 s GLY 22 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1t12 s GLY 22 CO 0.00 -0.65 1.18 2.56 0.00 0.00 0.00 173.10 176.19 1t12 s PRO 23 N -2.23 4.52 0.45 2.90 0.04 -1.26 -2.56 135.00 136.86 1t12 s PRO 23 Ca 0.32 1.88 0.12 0.00 0.04 0.00 0.00 61.00 63.36 1t12 s PRO 23 Cb -0.13 -3.22 1.04 0.00 0.04 0.00 0.00 34.50 32.24 1t12 s PRO 23 CO 0.23 -0.03 2.07 1.37 0.04 0.00 0.00 177.00 180.68 1t12 h LEU 24 N 4.80 0.29 0.00 -3.56 -0.00 -1.93 -3.44 115.31 111.47 1t12 h LEU 24 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1t12 h LEU 24 Cb 1.21 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1t12 h LEU 24 CO 0.72 0.20 0.00 0.61 -0.00 0.00 0.00 178.44 179.97 1t12 n GLY 25 N -1.51 2.77 1.73 0.17 0.00 -1.26 -1.47 105.19 105.62 1t12 n GLY 25 Ca 0.03 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 1.73 -0.36 1.61 1.74 -1.26 -4.43 116.66 129.69 1t12 n ARG 26 Ca 0.00 -1.71 0.06 0.00 -0.77 0.00 0.00 57.85 55.43 1t12 n ARG 26 Cb 0.00 -1.67 0.23 0.00 -1.02 0.00 0.00 32.46 30.00 1t12 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t12 h GLY 29 N 0.45 -0.01 1.88 0.00 0.00 -1.88 0.16 103.07 103.67 1t12 h GLY 29 Ca 0.65 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 48.06 1t12 h GLY 29 CO -0.43 -0.11 -0.14 -1.33 0.00 0.00 0.00 176.54 174.52 1t12 h GLY 30 N -0.11 0.16 0.89 4.60 0.00 -1.09 -2.49 103.07 105.02 1t12 h GLY 30 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1t12 h GLY 30 CO -0.18 0.09 -0.15 -2.08 0.00 0.00 0.00 176.54 174.22 1t12 h VAL 31 N 0.14 0.72 -0.59 4.60 2.07 -0.71 -2.99 116.25 119.50 1t12 h VAL 31 Ca 0.03 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1t12 h VAL 31 Cb 0.35 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 30.87 1t12 h VAL 31 CO 0.02 0.05 -0.01 0.50 0.02 0.00 0.00 177.57 178.15 1t12 h LYS 32 N -0.53 0.11 -0.57 1.57 3.64 -0.59 0.58 116.57 120.77 1t12 h LYS 32 Ca -0.04 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1t12 h LYS 32 Cb 0.40 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.10 1t12 h LYS 32 CO 0.07 0.07 0.02 0.00 -2.27 0.00 0.00 179.45 177.35 1t12 h ALA 33 N 1.54 0.58 0.00 5.00 0.00 -1.36 -0.96 119.26 124.05 1t12 h ALA 33 Ca 0.30 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 1t12 h ALA 33 Cb 0.48 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1t12 h ALA 33 CO -0.51 -0.38 -0.33 -0.07 0.00 0.00 0.00 179.25 177.97 1t12 h LEU 34 N 0.14 0.00 -0.73 0.00 3.38 -0.77 -2.92 115.31 114.41 1t12 h LEU 34 Ca 0.30 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.43 1t12 h LEU 34 Cb 0.47 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.10 1t12 h LEU 34 CO -0.47 0.33 0.08 0.58 0.09 0.00 0.00 178.44 179.06 1t12 h VAL 35 N 0.00 0.43 -0.66 1.22 2.07 -0.40 0.76 116.25 119.66 1t12 h VAL 35 Ca -0.00 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1t12 h VAL 35 Cb 0.64 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1t12 h VAL 35 CO 0.04 0.03 0.32 0.78 0.02 0.00 0.00 177.57 178.76 1t12 h ASN 36 N 0.17 0.41 -1.03 0.57 2.35 -1.56 0.36 115.58 116.86 1t12 h ASN 36 Ca 0.41 0.06 -0.50 0.00 -0.55 0.00 0.00 56.30 55.72 1t12 h ASN 36 Cb 0.72 -0.01 -0.18 0.00 0.05 0.00 0.00 38.32 38.89 1t12 h ASN 36 CO -0.59 0.25 0.46 -1.54 -1.65 0.00 0.00 177.43 174.36 1t12 n SER 37 N -4.88 6.59 -2.69 5.81 3.41 0.25 -4.14 113.62 117.95 1t12 n SER 37 Ca 0.10 -3.25 -0.06 0.00 -0.26 0.00 0.00 58.87 55.39 1t12 n SER 37 Cb 0.25 -1.18 0.12 0.00 -0.26 0.00 0.00 64.21 63.13 1t12 n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t12 n ALA 38 N 0.62 1.59 0.00 7.33 0.00 0.13 -4.59 120.51 125.59 1t12 n ALA 38 Ca 0.47 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1t12 n ALA 38 Cb 0.54 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1t12 n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t12 n ARG 39 N -0.72 0.00 0.00 0.00 5.12 -1.23 -4.20 116.66 115.63 1t12 n ARG 39 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1t12 n ARG 39 Cb 0.85 -0.24 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 1t12 n ARG 39 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1t12 n THR 40 N -1.64 0.00 0.00 0.55 -2.24 -1.26 -4.64 114.28 105.05 1t12 n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1t12 n THR 40 Cb 0.00 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 1t12 n THR 40 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1t12 n THR 41 N 2.62 0.00 -0.01 4.28 -1.04 -1.26 -4.25 114.28 114.62 1t12 n THR 41 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t12 n THR 41 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1t12 n THR 41 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1t12 h GLU 42 N 0.00 -0.00 -0.80 -2.82 5.08 -1.98 -3.17 114.58 110.89 1t12 h GLU 42 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1t12 h GLU 42 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1t12 h GLU 42 CO 0.00 -0.00 0.23 0.38 -1.00 0.00 0.00 179.01 178.62 1t12 h ASP 43 N -0.27 0.07 -0.89 1.42 3.04 -1.89 0.12 116.42 118.01 1t12 h ASP 43 Ca -0.00 0.16 0.18 0.00 -3.24 0.00 0.00 57.03 54.12 1t12 h ASP 43 Cb 0.00 0.20 -0.17 0.00 -1.04 0.00 0.00 39.33 38.32 1t12 h ASP 43 CO 0.00 -0.05 -0.24 -0.09 -2.04 0.00 0.00 179.24 176.82 1t12 h ARG 44 N 0.29 -0.01 0.02 4.15 2.43 -1.73 0.33 114.38 119.86 1t12 h ARG 44 Ca 0.47 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.37 1t12 h ARG 44 Cb 0.84 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1t12 h ARG 44 CO -0.54 -0.00 -1.07 1.96 -1.51 0.00 0.00 179.97 178.80 1t12 h GLN 45 N -0.01 0.65 -0.28 0.20 4.20 -0.77 -2.37 115.11 116.74 1t12 h GLN 45 Ca 0.42 -0.73 0.06 0.00 0.06 0.00 0.00 58.65 58.46 1t12 h GLN 45 Cb 0.65 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 1t12 h GLN 45 CO -0.92 1.31 -0.09 0.82 -0.67 0.00 0.00 178.83 179.28 1t12 h ILE 46 N 0.36 0.68 -0.35 2.54 5.03 0.02 0.19 117.51 125.98 1t12 h ILE 46 Ca -0.13 0.00 -0.09 0.00 -0.12 0.00 0.00 64.86 64.52 1t12 h ILE 46 Cb 1.72 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 36.18 1t12 h ILE 46 CO 0.21 0.00 -0.14 0.00 -0.68 0.00 0.00 178.15 177.54 1t12 h ALA 47 N 1.25 0.49 0.01 1.87 0.00 -0.46 0.21 119.26 122.63 1t12 h ALA 47 Ca 0.14 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1t12 h ALA 47 Cb 0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1t12 h ALA 47 CO -0.31 0.38 -0.32 0.00 0.00 0.00 0.00 179.25 179.00 1t12 h THR 49 N -0.48 1.26 -0.20 0.00 1.03 -0.45 0.22 112.91 114.28 1t12 h THR 49 Ca 0.06 -1.01 -0.00 0.00 -0.01 0.00 0.00 66.41 65.44 1t12 h THR 49 Cb 0.56 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.33 1t12 h THR 49 CO -0.26 0.37 0.12 0.00 -0.01 0.00 0.00 175.52 175.75 1t12 h LEU 51 N 0.24 -0.22 -0.97 0.00 3.38 -0.23 0.21 115.31 117.73 1t12 h LEU 51 Ca 0.07 -0.21 0.34 0.00 0.09 0.00 0.00 57.88 58.17 1t12 h LEU 51 Cb 0.01 0.06 -0.18 0.00 0.09 0.00 0.00 40.66 40.64 1t12 h LEU 51 CO -0.01 0.11 0.30 1.17 0.09 0.00 0.00 178.44 180.09 1t12 n LYS 52 N -5.07 -0.07 -0.02 1.13 4.81 0.76 0.48 118.16 120.19 1t12 n LYS 52 Ca -0.09 1.38 -0.13 0.00 -0.87 0.00 0.00 58.31 58.60 1t12 n LYS 52 Cb 0.22 -2.36 -0.10 0.00 0.02 0.00 0.00 35.03 32.81 1t12 n LYS 52 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1t12 h SER 53 N 0.00 -0.01 -0.63 3.14 0.02 -0.11 0.64 113.55 116.60 1t12 h SER 53 Ca 0.72 -0.56 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1t12 h SER 53 Cb 1.75 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.24 1t12 h SER 53 CO -0.82 0.55 0.33 0.00 -1.14 0.00 0.00 176.83 175.76 1t12 h ALA 54 N 0.38 0.83 0.71 3.77 0.00 0.22 0.51 119.26 125.68 1t12 h ALA 54 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1t12 h ALA 54 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1t12 h ALA 54 CO 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 179.25 178.76 1t12 h ALA 55 N 1.34 -1.20 0.00 0.00 0.00 -0.03 -2.96 119.26 116.42 1t12 h ALA 55 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1t12 h ALA 55 Cb 0.20 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1t12 h ALA 55 CO -0.19 -1.20 -0.02 0.78 0.00 0.00 0.00 179.25 178.63 1t12 h GLY 56 N -1.13 0.00 2.00 0.00 0.00 0.05 -0.97 103.07 103.02 1t12 h GLY 56 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1t12 h GLY 56 CO 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.55 1t12 h ALA 57 N 1.98 1.51 -2.49 3.60 0.00 0.17 -3.43 119.26 120.61 1t12 h ALA 57 Ca -0.00 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.33 1t12 h ALA 57 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1t12 h ALA 57 CO 0.00 0.06 0.35 0.42 0.00 0.00 0.00 179.25 180.08 1t12 s ILE 58 N -4.55 4.72 -0.09 0.00 1.01 -0.37 -4.97 121.20 116.96 1t12 s ILE 58 Ca -0.04 2.03 -0.27 0.00 0.00 0.00 0.00 60.65 62.37 1t12 s ILE 58 Cb 0.15 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 38.07 1t12 s ILE 58 CO 0.58 0.23 0.96 0.28 0.00 0.00 0.00 174.94 177.00 1t12 h SER 59 N 6.26 0.06 -0.08 3.58 0.02 -1.88 -3.22 113.55 118.29 1t12 h SER 59 Ca -0.42 -0.81 -0.05 0.00 -0.84 0.00 0.00 61.79 59.67 1t12 h SER 59 Cb 1.21 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1t12 h SER 59 CO 0.74 0.87 0.06 0.61 -1.14 0.00 0.00 176.83 177.96 1t12 n GLY 60 N 1.12 2.76 3.77 -3.77 0.00 -1.26 -4.95 105.19 102.85 1t12 n GLY 60 Ca -0.10 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.35 2.46 -0.22 -0.61 2.07 -1.22 -4.48 121.20 118.86 1t12 s ILE 61 Ca 0.06 0.44 -0.18 0.00 -1.41 0.00 0.00 60.65 59.56 1t12 s ILE 61 Cb 0.04 -3.28 -0.03 0.00 0.13 0.00 0.00 42.46 39.32 1t12 s ILE 61 CO -0.00 0.10 0.50 0.21 -1.91 0.00 0.00 174.94 173.84 1t12 s ASN 62 N -0.14 6.51 0.02 4.50 3.84 0.30 -4.97 114.94 125.00 1t12 s ASN 62 Ca 0.53 0.61 -0.25 0.00 0.21 0.00 0.00 52.86 53.96 1t12 s ASN 62 Cb -0.43 -2.28 -0.18 0.00 -0.55 0.00 0.00 41.25 37.81 1t12 s ASN 62 CO 0.54 -0.20 1.43 0.25 -2.79 0.00 0.00 177.10 176.33 1t12 h LEU 63 N 8.16 -0.08 -0.72 3.21 6.46 -1.94 -0.80 115.31 129.61 1t12 h LEU 63 Ca -0.32 -0.26 0.05 0.00 -0.12 0.00 0.00 57.88 57.23 1t12 h LEU 63 Cb 1.15 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.05 1t12 h LEU 63 CO 0.73 0.22 0.43 1.23 -0.62 0.00 0.00 178.44 180.43 1t12 h GLY 64 N -0.38 1.05 1.91 3.75 0.00 -1.98 -1.45 103.07 105.98 1t12 h GLY 64 Ca -0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1t12 h GLY 64 CO 0.02 0.23 -0.54 0.50 0.00 0.00 0.00 176.54 176.75 1t12 h LYS 65 N 0.82 0.10 -0.05 4.80 1.57 -1.89 0.77 116.57 122.69 1t12 h LYS 65 Ca 0.31 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1t12 h LYS 65 Cb 0.11 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1t12 h LYS 65 CO -0.15 0.61 -0.11 0.00 -0.57 0.00 0.00 179.45 179.23 1t12 h ALA 66 N 1.38 -0.09 0.00 3.86 0.00 -0.22 0.96 119.26 125.15 1t12 h ALA 66 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1t12 h ALA 66 Cb 0.98 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1t12 h ALA 66 CO 0.08 -0.59 -0.38 0.00 0.00 0.00 0.00 179.25 178.36 1t12 h ALA 67 N 0.84 1.04 0.00 0.00 0.00 -0.96 -2.95 119.26 117.23 1t12 h ALA 67 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1t12 h ALA 67 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1t12 h ALA 67 CO -0.15 0.47 -0.21 0.78 0.00 0.00 0.00 179.25 180.14 1t12 h GLY 68 N 1.90 0.00 -0.06 0.00 0.00 0.12 -3.38 103.07 101.65 1t12 h GLY 68 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 1t12 h GLY 68 CO 0.05 0.00 -0.16 -2.00 0.00 0.00 0.00 176.54 174.43 1t12 h LEU 69 N 0.00 -0.56 -2.23 3.11 5.85 0.11 0.48 115.31 122.07 1t12 h LEU 69 Ca -0.00 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1t12 h LEU 69 Cb 1.09 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1t12 h LEU 69 CO 0.03 -0.19 -0.04 1.55 -0.34 0.00 0.00 178.44 179.45 1t12 h PRO 70 N -0.04 0.00 0.04 5.25 0.13 -1.78 0.24 132.00 135.85 1t12 h PRO 70 Ca 0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1t12 h PRO 70 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1t12 h PRO 70 CO -0.54 0.04 -0.02 1.03 -0.23 0.00 0.00 178.00 178.28 1t12 h SER 71 N 0.00 -0.05 -0.26 1.44 0.87 -0.49 -2.54 113.55 112.53 1t12 h SER 71 Ca -0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1t12 h SER 71 Cb 0.24 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1t12 h SER 71 CO 0.00 0.69 0.17 0.74 -0.53 0.00 0.00 176.83 177.90 1t12 h THR 72 N -0.91 1.08 -1.79 2.23 2.02 -0.16 -1.83 112.91 113.54 1t12 h THR 72 Ca -0.01 -0.16 -0.77 0.00 0.77 0.00 0.00 66.41 66.25 1t12 h THR 72 Cb 0.65 0.72 -0.19 0.00 -1.74 0.00 0.00 68.15 67.58 1t12 h THR 72 CO 0.01 0.07 1.70 0.00 0.37 0.00 0.00 175.52 177.67 1t12 n GLY 74 N 2.28 -0.12 3.13 0.00 0.00 -0.69 -4.55 105.19 105.24 1t12 n GLY 74 Ca 0.37 0.67 -0.09 0.00 0.00 0.00 0.00 46.02 46.97 1t12 n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t12 s VAL 75 N 3.85 0.14 -1.12 1.61 -7.23 -1.07 -4.97 120.40 111.61 1t12 s VAL 75 Ca 0.73 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.70 1t12 s VAL 75 Cb -0.87 -0.99 0.06 0.00 0.56 0.00 0.00 36.38 35.13 1t12 s VAL 75 CO 0.38 -0.63 2.61 -3.20 -0.31 0.00 0.00 175.10 173.95 1t12 n ASN 76 N 0.63 7.69 -4.80 4.85 5.15 -1.26 -4.94 115.26 122.58 1t12 n ASN 76 Ca -0.18 -3.04 -0.37 0.00 -0.60 0.00 0.00 54.58 50.39 1t12 n ASN 76 Cb 0.59 -1.37 -0.07 0.00 -0.53 0.00 0.00 39.78 38.41 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 -0.79 5.33 -0.47 -1.44 -4.36 -1.26 -5.01 121.20 113.20 1t12 s ILE 77 Ca 0.58 0.46 -0.05 0.00 -0.26 0.00 0.00 60.65 61.38 1t12 s ILE 77 Cb 0.23 -3.55 -0.02 0.00 1.25 0.00 0.00 42.46 40.36 1t12 s ILE 77 CO -0.11 0.51 2.96 -0.81 0.24 0.00 0.00 174.94 177.72 1t12 n PRO 78 N 2.72 2.58 -3.62 0.37 -0.04 -1.26 -4.86 135.00 130.89 1t12 n PRO 78 Ca -0.15 -2.12 -0.12 0.00 -0.04 0.00 0.00 63.50 61.07 1t12 n PRO 78 Cb 0.53 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.74 1t12 n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1t12 s TYR 79 N -0.83 -0.62 -0.26 0.54 1.13 -1.26 -4.73 117.35 111.32 1t12 s TYR 79 Ca 0.61 1.44 0.02 0.00 -1.41 0.00 0.00 57.07 57.73 1t12 s TYR 79 Cb 0.34 0.34 0.28 0.00 -1.10 0.00 0.00 41.96 41.81 1t12 s TYR 79 CO -0.15 -0.35 1.31 1.63 -2.51 0.00 0.00 175.55 175.48 1t12 n LYS 80 N 2.13 1.66 -3.60 -3.49 5.02 -1.26 -4.86 118.16 113.76 1t12 n LYS 80 Ca -0.14 -1.21 -0.25 0.00 -2.02 0.00 0.00 58.31 54.69 1t12 n LYS 80 Cb 0.56 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1t12 n LYS 80 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1t12 n ILE 81 N -0.09 -0.52 -3.50 -0.18 5.41 -1.26 -3.86 119.36 115.36 1t12 n ILE 81 Ca 0.22 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.60 1t12 n ILE 81 Cb 0.92 -1.08 -0.07 0.00 -0.71 0.00 0.00 39.64 38.70 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 -2.78 6.49 -1.16 4.38 0.01 -1.26 -4.65 113.70 114.73 1t12 s SER 82 Ca 0.48 0.57 -0.14 0.00 1.31 0.00 0.00 55.95 58.16 1t12 s SER 82 Cb -0.27 -2.20 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 1t12 s SER 82 CO 0.58 0.09 2.23 -0.81 0.41 0.00 0.00 173.24 175.75 1t12 n PRO 83 N 3.52 2.41 0.01 12.44 -0.04 -1.26 -3.42 135.00 148.65 1t12 n PRO 83 Ca -0.11 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1t12 n PRO 83 Cb 0.52 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1t12 n PRO 83 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1t12 n SER 84 N 5.73 -0.15 -4.41 3.54 3.41 -1.26 -4.91 113.62 115.57 1t12 n SER 84 Ca 0.54 0.17 -0.44 0.00 -0.26 0.00 0.00 58.87 58.88 1t12 n SER 84 Cb 0.31 0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1t12 n SER 84 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1t12 n THR 85 N -2.37 1.56 -2.26 6.66 5.66 -1.22 -4.86 114.28 117.44 1t12 n THR 85 Ca 0.00 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.08 1t12 n THR 85 Cb 0.00 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 68.48 1t12 n THR 85 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1t12 s ASP 86 N -0.93 6.90 0.21 1.09 2.15 -1.26 -4.91 116.67 119.91 1t12 s ASP 86 Ca 0.62 2.13 0.11 0.00 0.43 0.00 0.00 52.55 55.83 1t12 s ASP 86 Cb -0.73 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 39.35 1t12 s ASP 86 CO 0.59 -0.65 1.41 0.00 -0.17 0.00 0.00 175.17 176.36 1t12 h SER 88 N 0.00 0.17 -0.43 0.00 0.02 -1.94 0.26 113.55 111.65 1t12 h SER 88 Ca -0.01 0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 1t12 h SER 88 Cb 1.49 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 64.03 1t12 h SER 88 CO 0.10 0.07 0.23 0.29 -1.14 0.00 0.00 176.83 176.38 1t12 n LYS 89 N -5.05 1.97 -2.46 3.45 4.01 -1.26 -4.92 118.16 113.89 1t12 n LYS 89 Ca 0.12 -1.48 -0.43 0.00 -0.51 0.00 0.00 58.31 56.02 1t12 n LYS 89 Cb 0.38 -1.66 -0.02 0.00 -0.51 0.00 0.00 35.03 33.22 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 -1.67 4.26 -2.33 -0.18 1.01 0.08 -5.13 120.40 116.44 1t12 s VAL 90 Ca 0.27 1.47 0.19 0.00 0.00 0.00 0.00 61.98 63.90 1t12 s VAL 90 Cb 0.22 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.61 1t12 s VAL 90 CO 0.06 -0.35 1.09 0.00 0.00 0.00 0.00 175.10 175.90