#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 3.92 -0.16 0.00 -5.25 -1.26 -5.07 121.20 113.39 1t12 s ILE 2 Ca 0.00 1.70 -0.20 0.00 -0.99 0.00 0.00 60.65 61.16 1t12 s ILE 2 Cb 0.00 -3.99 0.05 0.00 2.95 0.00 0.00 42.46 41.47 1t12 s ILE 2 CO 0.00 0.23 0.54 -0.89 -1.79 0.00 0.00 174.94 173.03 1t12 s THR 3 N -1.44 0.01 0.38 8.37 2.01 -1.26 -5.04 115.64 118.67 1t12 s THR 3 Ca 0.49 -0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.54 1t12 s THR 3 Cb -0.24 -0.78 0.33 0.00 0.01 0.00 0.00 72.50 71.82 1t12 s THR 3 CO 0.30 -0.03 1.91 0.00 -0.69 0.00 0.00 174.62 176.11 1t12 h GLY 5 N 0.60 1.33 0.95 0.00 0.00 -1.99 0.39 103.07 104.36 1t12 h GLY 5 Ca 0.38 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.48 1t12 h GLY 5 CO -0.15 -0.23 -0.30 1.46 0.00 0.00 0.00 176.54 177.32 1t12 h GLN 6 N 0.36 0.66 -0.10 4.80 4.20 -1.74 -2.92 115.11 120.38 1t12 h GLN 6 Ca 0.50 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1t12 h GLN 6 Cb 0.91 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1t12 h GLN 6 CO -0.52 0.98 0.04 0.28 -0.67 0.00 0.00 178.83 178.93 1t12 h VAL 7 N 0.39 1.16 0.00 -0.54 2.07 -0.85 -2.53 116.25 115.95 1t12 h VAL 7 Ca 0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1t12 h VAL 7 Cb 0.87 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1t12 h VAL 7 CO 0.07 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 1t12 h THR 8 N -0.01 0.21 -0.04 2.57 1.03 -0.35 -2.12 112.91 114.21 1t12 h THR 8 Ca 0.03 -0.22 -0.00 0.00 -0.01 0.00 0.00 66.41 66.21 1t12 h THR 8 Cb 0.19 1.18 -0.00 0.00 -1.07 0.00 0.00 68.15 68.44 1t12 h THR 8 CO -0.00 0.03 0.01 0.28 -0.01 0.00 0.00 175.52 175.82 1t12 h SER 9 N 0.00 0.05 0.01 0.00 0.02 -1.25 -2.54 113.55 109.84 1t12 h SER 9 Ca -0.00 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1t12 h SER 9 Cb 0.17 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1t12 h SER 9 CO 0.00 0.26 -0.02 0.78 -1.14 0.00 0.00 176.83 176.71 1t12 h ASN 10 N -0.16 0.04 0.26 3.07 4.21 -1.35 -1.64 115.58 120.01 1t12 h ASN 10 Ca 0.01 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1t12 h ASN 10 Cb 0.23 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1t12 h ASN 10 CO 0.00 0.07 0.00 0.18 -1.29 0.00 0.00 177.43 176.39 1t12 n LEU 11 N -4.49 0.00 -0.34 1.61 4.77 -0.97 -4.24 117.00 113.34 1t12 n LEU 11 Ca -0.02 0.24 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 1t12 n LEU 11 Cb 0.12 -0.24 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 1t12 n LEU 11 CO 0.35 -0.11 0.69 0.00 -1.33 0.00 0.00 177.39 176.99 1t12 h ALA 12 N 2.84 0.71 -0.01 -1.18 0.00 -1.21 0.89 119.26 121.30 1t12 h ALA 12 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 1t12 h ALA 12 Cb 0.13 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1t12 h ALA 12 CO 0.00 -0.41 -0.65 -1.35 0.00 0.00 0.00 179.25 176.84 1t12 h PRO 13 N 0.00 0.03 0.04 0.00 0.11 -1.85 -3.24 132.00 127.10 1t12 h PRO 13 Ca 0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.56 1t12 h PRO 13 Cb 0.78 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1t12 h PRO 13 CO -0.98 0.67 -0.02 0.00 -0.21 0.00 0.00 178.00 177.46 1t12 h LEU 15 N -0.39 0.25 -0.11 0.00 3.38 -0.61 0.71 115.31 118.55 1t12 h LEU 15 Ca -0.01 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1t12 h LEU 15 Cb 0.35 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1t12 h LEU 15 CO 0.01 -0.29 -0.09 0.00 0.09 0.00 0.00 178.44 178.16 1t12 h ALA 16 N 1.92 0.16 -0.95 1.53 0.00 -1.58 -3.01 119.26 117.33 1t12 h ALA 16 Ca 0.74 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.41 1t12 h ALA 16 Cb 1.79 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1t12 h ALA 16 CO -0.72 -0.02 0.62 -0.92 0.00 0.00 0.00 179.25 178.21 1t12 h TYR 17 N -0.13 1.13 -0.73 0.00 3.20 0.32 -2.15 116.97 118.61 1t12 h TYR 17 Ca 0.02 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.00 1t12 h TYR 17 Cb 0.59 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1t12 h TYR 17 CO 0.08 0.62 0.48 -0.07 -1.64 0.00 0.00 178.16 177.64 1t12 h LEU 18 N 1.14 0.63 -0.34 2.82 3.38 0.23 0.42 115.31 123.59 1t12 h LEU 18 Ca 0.39 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1t12 h LEU 18 Cb 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1t12 h LEU 18 CO -0.14 0.39 0.00 -1.14 0.09 0.00 0.00 178.44 177.65 1t12 n ARG 19 N -4.49 1.16 -3.91 1.13 0.63 -0.82 -0.70 116.66 109.67 1t12 n ARG 19 Ca 0.11 -0.22 -0.25 0.00 -0.92 0.00 0.00 57.85 56.57 1t12 n ARG 19 Cb 0.28 -1.11 -0.01 0.00 0.45 0.00 0.00 32.46 32.07 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 -0.28 -0.74 0.02 6.15 5.15 0.14 -4.79 115.26 120.91 1t12 n ASN 20 Ca 0.02 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 1t12 n ASN 20 Cb 0.09 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 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 -4.38 0.00 -3.98 -0.44 5.66 -1.18 -5.07 114.28 104.89 1t12 n THR 21 Ca -0.28 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.48 1t12 n THR 21 Cb 0.67 -0.48 -0.03 0.00 -1.55 0.00 0.00 70.33 68.95 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 -4.87 1.49 0.88 1.09 0.00 -1.14 -4.98 107.32 99.80 1t12 s GLY 22 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 44.72 43.45 1t12 s GLY 22 CO 0.00 -1.17 1.10 2.56 0.00 0.00 0.00 173.10 175.59 1t12 s PRO 23 N -3.56 1.38 0.15 2.90 0.04 -1.26 -2.98 135.00 131.68 1t12 s PRO 23 Ca 0.34 0.74 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 1t12 s PRO 23 Cb -0.10 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.65 1t12 s PRO 23 CO 0.28 -2.13 1.74 -0.07 0.04 0.00 0.00 177.00 176.86 1t12 h LEU 24 N -1.47 0.63 0.00 -3.56 4.07 -1.96 -3.39 115.31 109.63 1t12 h LEU 24 Ca -0.49 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.35 1t12 h LEU 24 Cb 1.29 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1t12 h LEU 24 CO 0.56 0.57 0.00 0.61 -1.08 0.00 0.00 178.44 179.10 1t12 n GLY 25 N -0.94 3.70 1.32 0.83 0.00 -1.26 -0.39 105.19 108.46 1t12 n GLY 25 Ca 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 13.94 2.46 -0.09 1.61 1.74 -1.26 -4.42 116.66 130.64 1t12 n ARG 26 Ca 0.00 -1.50 -0.09 0.00 -0.77 0.00 0.00 57.85 55.49 1t12 n ARG 26 Cb 0.00 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.65 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 0.51 0.79 0.85 0.00 0.00 -1.76 0.39 103.07 103.84 1t12 h GLY 29 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1t12 h GLY 29 CO -0.03 0.27 -0.11 -1.33 0.00 0.00 0.00 176.54 175.34 1t12 h GLY 30 N 0.74 -0.23 0.93 4.60 0.00 -0.33 -2.06 103.07 106.72 1t12 h GLY 30 Ca 0.21 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 1t12 h GLY 30 CO -0.06 -0.12 0.07 -2.08 0.00 0.00 0.00 176.54 174.36 1t12 h VAL 31 N -0.25 1.10 -0.94 4.60 2.07 -0.49 -1.58 116.25 120.75 1t12 h VAL 31 Ca 0.01 -0.27 0.26 0.00 0.82 0.00 0.00 66.70 67.52 1t12 h VAL 31 Cb 0.24 1.03 -0.17 0.00 -1.52 0.00 0.00 31.29 30.88 1t12 h VAL 31 CO -0.03 0.09 0.10 0.50 0.02 0.00 0.00 177.57 178.25 1t12 h LYS 32 N 0.12 0.06 -0.20 1.57 1.63 -0.07 0.54 116.57 120.21 1t12 h LYS 32 Ca 0.05 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1t12 h LYS 32 Cb 0.08 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1t12 h LYS 32 CO -0.01 0.04 0.08 0.00 -3.45 0.00 0.00 179.45 176.11 1t12 h ALA 33 N 1.91 0.26 -0.47 5.00 0.00 -0.58 -2.97 119.26 122.40 1t12 h ALA 33 Ca 0.58 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.44 1t12 h ALA 33 Cb 1.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1t12 h ALA 33 CO -0.83 -0.14 0.15 -0.07 0.00 0.00 0.00 179.25 178.37 1t12 h LEU 34 N 0.17 0.13 -0.98 0.00 3.38 0.69 -1.76 115.31 116.93 1t12 h LEU 34 Ca 0.07 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.32 1t12 h LEU 34 Cb 0.19 0.06 -0.19 0.00 0.09 0.00 0.00 40.66 40.81 1t12 h LEU 34 CO -0.00 0.10 -0.17 0.52 0.09 0.00 0.00 178.44 178.98 1t12 n VAL 35 N -5.03 -0.41 -0.24 1.22 0.31 0.40 0.11 118.33 114.69 1t12 n VAL 35 Ca 0.05 2.22 -0.06 0.00 -0.01 0.00 0.00 64.34 66.53 1t12 n VAL 35 Cb 0.20 -3.12 0.04 0.00 -0.91 0.00 0.00 33.84 30.05 1t12 n VAL 35 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1t12 h ASN 36 N 0.00 0.84 -0.22 4.52 2.35 -1.37 0.55 115.58 122.24 1t12 h ASN 36 Ca 0.51 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 56.03 1t12 h ASN 36 Cb 0.86 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.95 1t12 h ASN 36 CO -0.98 0.69 0.16 -0.24 -1.65 0.00 0.00 177.43 175.41 1t12 n SER 37 N -4.52 4.14 -1.82 5.81 2.88 0.31 -3.81 113.62 116.61 1t12 n SER 37 Ca 0.05 -2.48 0.01 0.00 -1.33 0.00 0.00 58.87 55.12 1t12 n SER 37 Cb 0.09 -0.76 0.02 0.00 -0.75 0.00 0.00 64.21 62.81 1t12 n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t12 n ALA 38 N 0.45 2.70 0.00 -1.46 0.00 0.19 -4.31 120.51 118.08 1t12 n ALA 38 Ca 0.13 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1t12 n ALA 38 Cb 0.67 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.01 3.27 -0.77 0.00 5.12 -1.15 -4.03 116.66 119.08 1t12 n ARG 39 Ca -0.02 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.83 1t12 n ARG 39 Cb 0.97 -0.51 -0.11 0.00 -1.16 0.00 0.00 32.46 31.65 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 -0.65 2.44 0.00 0.55 -2.24 -1.26 -4.82 114.28 108.30 1t12 n THR 40 Ca 0.00 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 1t12 n THR 40 Cb 0.00 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 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 2.28 0.00 -0.08 4.28 -1.04 -1.26 -3.64 114.28 114.82 1t12 n THR 41 Ca 0.28 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.13 1t12 n THR 41 Cb 0.72 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.12 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 -0.89 -2.82 5.08 -1.95 -2.76 114.58 111.23 1t12 h GLU 42 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1t12 h GLU 42 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 1t12 h GLU 42 CO 0.00 0.91 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.33 1t12 h ASP 43 N -1.00 -0.70 -0.32 1.42 3.32 -1.87 0.60 116.42 117.87 1t12 h ASP 43 Ca -0.15 0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1t12 h ASP 43 Cb 1.06 0.51 -0.08 0.00 0.22 0.00 0.00 39.33 41.04 1t12 h ASP 43 CO -0.09 -0.29 -0.32 -0.09 -1.72 0.00 0.00 179.24 176.73 1t12 h ARG 44 N 0.02 -0.28 -0.73 3.56 2.43 -1.70 -1.10 114.38 116.57 1t12 h ARG 44 Ca 0.46 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.67 1t12 h ARG 44 Cb 0.77 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 1t12 h ARG 44 CO -0.88 -0.19 0.46 1.96 -1.51 0.00 0.00 179.97 179.81 1t12 h GLN 45 N -0.29 0.88 -0.18 0.20 4.20 0.38 0.45 115.11 120.76 1t12 h GLN 45 Ca 0.15 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1t12 h GLN 45 Cb 0.54 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1t12 h GLN 45 CO -0.48 0.58 0.05 0.82 -0.67 0.00 0.00 178.83 179.13 1t12 h ILE 46 N 0.91 0.94 -0.02 2.54 1.08 -0.30 -1.18 117.51 121.48 1t12 h ILE 46 Ca 0.29 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 64.73 1t12 h ILE 46 Cb 0.00 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1t12 h ILE 46 CO -0.11 0.02 -0.07 0.00 -0.69 0.00 0.00 178.15 177.31 1t12 h ALA 47 N 1.12 -0.05 -0.26 1.87 0.00 -0.64 -0.05 119.26 121.25 1t12 h ALA 47 Ca 0.08 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1t12 h ALA 47 Cb 0.06 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1t12 h ALA 47 CO -0.10 -0.56 -0.31 0.00 0.00 0.00 0.00 179.25 178.29 1t12 h THR 49 N -0.31 1.26 -0.63 0.00 1.03 -1.02 0.13 112.91 113.37 1t12 h THR 49 Ca 0.13 -0.76 -0.02 0.00 -0.01 0.00 0.00 66.41 65.76 1t12 h THR 49 Cb 0.53 0.21 -0.03 0.00 -1.07 0.00 0.00 68.15 67.79 1t12 h THR 49 CO -0.44 0.32 0.31 0.00 -0.01 0.00 0.00 175.52 175.70 1t12 h LEU 51 N 0.86 -0.02 -0.77 0.00 3.38 0.27 0.40 115.31 119.42 1t12 h LEU 51 Ca 0.22 -0.36 0.18 0.00 0.09 0.00 0.00 57.88 58.01 1t12 h LEU 51 Cb 0.10 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.73 1t12 h LEU 51 CO -0.03 0.35 0.11 0.50 0.09 0.00 0.00 178.44 179.46 1t12 h LYS 52 N -0.39 0.17 -0.44 1.13 3.64 -0.65 0.50 116.57 120.53 1t12 h LYS 52 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1t12 h LYS 52 Cb 0.38 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1t12 h LYS 52 CO 0.00 0.11 0.18 0.77 -2.27 0.00 0.00 179.45 178.25 1t12 h SER 53 N 0.18 0.61 0.04 4.20 0.02 -0.37 -1.06 113.55 117.16 1t12 h SER 53 Ca 0.44 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1t12 h SER 53 Cb 0.81 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1t12 h SER 53 CO -0.61 0.61 -0.24 0.00 -1.14 0.00 0.00 176.83 175.45 1t12 h ALA 54 N 1.02 -0.34 -0.26 3.77 0.00 0.43 0.35 119.26 124.23 1t12 h ALA 54 Ca 0.15 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1t12 h ALA 54 Cb 0.19 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1t12 h ALA 54 CO -0.01 -0.75 -0.19 0.00 0.00 0.00 0.00 179.25 178.30 1t12 h ALA 55 N 0.43 -0.02 -0.55 0.00 0.00 -0.33 0.52 119.26 119.30 1t12 h ALA 55 Ca 0.05 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1t12 h ALA 55 Cb 0.45 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1t12 h ALA 55 CO -0.18 -0.60 0.38 0.78 0.00 0.00 0.00 179.25 179.62 1t12 h GLY 56 N -0.18 0.41 1.30 0.00 0.00 -0.30 -1.35 103.07 102.95 1t12 h GLY 56 Ca 0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1t12 h GLY 56 CO -0.37 0.07 -0.17 0.00 0.00 0.00 0.00 176.54 176.07 1t12 h ALA 57 N 1.72 0.90 -2.90 3.60 0.00 0.19 -3.44 119.26 119.33 1t12 h ALA 57 Ca 0.26 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 1t12 h ALA 57 Cb 0.64 -0.17 0.08 0.00 0.00 0.00 0.00 17.79 18.35 1t12 h ALA 57 CO -0.06 0.63 0.72 0.42 0.00 0.00 0.00 179.25 180.96 1t12 s ILE 58 N -4.71 2.38 0.00 0.00 -1.09 -0.51 -4.99 121.20 112.28 1t12 s ILE 58 Ca -0.10 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1t12 s ILE 58 Cb 0.13 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1t12 s ILE 58 CO 0.84 0.09 0.20 -1.54 -1.23 0.00 0.00 174.94 173.29 1t12 n SER 59 N 0.80 0.00 -2.27 3.58 3.41 -1.26 -4.08 113.62 113.81 1t12 n SER 59 Ca 0.01 0.40 -0.17 0.00 -0.26 0.00 0.00 58.87 58.86 1t12 n SER 59 Cb 0.40 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1t12 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t12 n GLY 60 N 1.45 3.16 3.72 5.00 0.00 -1.26 -4.95 105.19 112.31 1t12 n GLY 60 Ca 0.00 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 1.31 3.40 -0.45 -0.61 -1.16 -1.26 -4.42 121.20 118.01 1t12 s ILE 61 Ca 0.65 1.06 -0.19 0.00 -0.51 0.00 0.00 60.65 61.66 1t12 s ILE 61 Cb 0.28 -3.68 0.03 0.00 0.61 0.00 0.00 42.46 39.70 1t12 s ILE 61 CO -0.01 0.11 0.58 0.21 -2.81 0.00 0.00 174.94 173.03 1t12 s ASN 62 N 0.77 6.27 0.19 4.50 3.84 0.13 -4.95 114.94 125.68 1t12 s ASN 62 Ca 0.60 -0.54 -0.11 0.00 0.21 0.00 0.00 52.86 53.02 1t12 s ASN 62 Cb -0.35 -2.29 0.10 0.00 -0.55 0.00 0.00 41.25 38.16 1t12 s ASN 62 CO 0.33 -0.75 1.78 -0.07 -2.79 0.00 0.00 177.10 175.60 1t12 h LEU 63 N 9.52 0.86 -0.53 3.21 3.38 -1.94 -0.76 115.31 129.06 1t12 h LEU 63 Ca -0.26 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1t12 h LEU 63 Cb 1.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1t12 h LEU 63 CO 0.88 0.75 0.34 1.23 0.09 0.00 0.00 178.44 181.72 1t12 h GLY 64 N 0.91 0.75 1.12 0.83 0.00 -1.97 0.19 103.07 104.90 1t12 h GLY 64 Ca 0.23 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 1t12 h GLY 64 CO -0.03 0.24 -0.25 0.50 0.00 0.00 0.00 176.54 177.00 1t12 h LYS 65 N 0.68 0.99 0.29 4.80 1.57 -1.82 0.28 116.57 123.36 1t12 h LYS 65 Ca 0.20 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1t12 h LYS 65 Cb -0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1t12 h LYS 65 CO -0.07 1.12 -0.36 0.00 -0.57 0.00 0.00 179.45 179.57 1t12 h ALA 66 N 0.86 -0.73 -0.44 3.86 0.00 -0.78 1.41 119.26 123.43 1t12 h ALA 66 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1t12 h ALA 66 Cb 0.83 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1t12 h ALA 66 CO 0.07 -0.95 0.22 0.00 0.00 0.00 0.00 179.25 178.59 1t12 h ALA 67 N -0.20 1.55 -0.01 0.00 0.00 -0.34 -1.53 119.26 118.73 1t12 h ALA 67 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1t12 h ALA 67 Cb 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1t12 h ALA 67 CO -0.11 0.37 -0.04 0.41 0.00 0.00 0.00 179.25 179.88 1t12 n GLY 68 N -1.27 -0.20 0.34 0.00 0.00 0.98 -4.08 105.19 100.97 1t12 n GLY 68 Ca 0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1t12 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t12 h LEU 69 N 1.94 -1.10 -1.54 0.99 5.85 0.30 0.19 115.31 121.94 1t12 h LEU 69 Ca 0.00 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1t12 h LEU 69 Cb 0.46 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1t12 h LEU 69 CO 0.00 -0.34 -0.24 1.55 -0.34 0.00 0.00 178.44 179.08 1t12 h PRO 70 N -0.30 0.00 -0.66 5.25 0.13 -1.78 0.30 132.00 134.94 1t12 h PRO 70 Ca 0.15 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.20 1t12 h PRO 70 Cb 0.55 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1t12 h PRO 70 CO -0.49 0.24 0.10 1.03 -0.23 0.00 0.00 178.00 178.64 1t12 h SER 71 N 0.00 1.04 -0.01 1.44 0.87 -1.51 -2.17 113.55 113.22 1t12 h SER 71 Ca -0.00 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1t12 h SER 71 Cb 0.43 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1t12 h SER 71 CO 0.03 1.04 -0.01 0.74 -0.53 0.00 0.00 176.83 178.11 1t12 h THR 72 N 1.02 1.37 -1.55 2.23 2.02 0.15 -3.13 112.91 115.02 1t12 h THR 72 Ca 0.20 -1.11 -0.76 0.00 0.77 0.00 0.00 66.41 65.51 1t12 h THR 72 Cb 0.45 2.12 -0.17 0.00 -1.74 0.00 0.00 68.15 68.81 1t12 h THR 72 CO 0.01 0.29 1.89 0.00 0.37 0.00 0.00 175.52 178.08 1t12 n GLY 74 N 2.65 -0.06 3.09 0.00 0.00 -0.82 -4.68 105.19 105.36 1t12 n GLY 74 Ca 0.38 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.81 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 2.64 0.12 -1.33 1.61 -7.23 -1.19 -5.04 120.40 109.99 1t12 s VAL 75 Ca 0.54 -0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 59.67 1t12 s VAL 75 Cb -0.68 -0.66 0.12 0.00 0.56 0.00 0.00 36.38 35.72 1t12 s VAL 75 CO 0.30 -0.53 2.25 -3.20 -0.31 0.00 0.00 175.10 173.61 1t12 n ASN 76 N 1.09 7.07 -4.62 4.85 4.05 -1.26 -4.93 115.26 121.51 1t12 n ASN 76 Ca -0.21 -3.09 -0.35 0.00 0.45 0.00 0.00 54.58 51.37 1t12 n ASN 76 Cb 0.57 -1.41 -0.10 0.00 1.23 0.00 0.00 39.78 40.07 1t12 n ASN 76 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1t12 s ILE 77 N -0.40 4.93 -1.28 -1.44 -4.36 -1.26 -5.01 121.20 112.38 1t12 s ILE 77 Ca 0.50 0.03 -0.06 0.00 -0.26 0.00 0.00 60.65 60.86 1t12 s ILE 77 Cb 0.15 -3.26 0.06 0.00 1.25 0.00 0.00 42.46 40.66 1t12 s ILE 77 CO -0.06 0.40 2.56 -0.81 0.24 0.00 0.00 174.94 177.28 1t12 n PRO 78 N 4.00 4.20 -3.57 0.37 -0.04 -1.26 -4.82 135.00 133.87 1t12 n PRO 78 Ca -0.16 -3.07 -0.10 0.00 -0.04 0.00 0.00 63.50 60.14 1t12 n PRO 78 Cb 0.52 -2.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 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 -0.49 -0.35 0.12 0.54 -0.85 -1.26 -5.11 117.35 109.95 1t12 s TYR 79 Ca 0.58 0.53 -0.06 0.00 -0.52 0.00 0.00 57.07 57.61 1t12 s TYR 79 Cb 0.20 0.47 -0.06 0.00 0.38 0.00 0.00 41.96 42.95 1t12 s TYR 79 CO -0.10 -0.36 0.38 -1.59 -1.52 0.00 0.00 175.55 172.36 1t12 s LYS 80 N -1.46 3.64 -1.10 -3.49 -2.85 -1.26 -5.01 119.74 108.22 1t12 s LYS 80 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 55.97 54.78 1t12 s LYS 80 Cb -0.01 -2.88 0.16 0.00 -2.06 0.00 0.00 37.83 33.04 1t12 s LYS 80 CO -0.00 0.49 1.29 0.42 0.10 0.00 0.00 175.35 177.65 1t12 s ILE 81 N -1.59 5.00 -0.08 3.79 1.01 -1.26 -4.89 121.20 123.18 1t12 s ILE 81 Ca 0.39 -2.31 -0.15 0.00 0.00 0.00 0.00 60.65 58.58 1t12 s ILE 81 Cb -0.12 -4.84 0.03 0.00 0.01 0.00 0.00 42.46 37.54 1t12 s ILE 81 CO 0.23 -1.54 0.36 -0.94 0.00 0.00 0.00 174.94 173.04 1t12 s SER 82 N 3.01 -0.31 -1.44 3.58 1.04 -1.26 -2.55 113.70 115.77 1t12 s SER 82 Ca 0.38 0.45 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 1t12 s SER 82 Cb -0.04 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.68 1t12 s SER 82 CO -0.04 -0.29 2.16 -0.81 0.98 0.00 0.00 173.24 175.24 1t12 n PRO 83 N 2.09 2.91 0.21 4.02 -0.04 -1.26 -3.80 135.00 139.12 1t12 n PRO 83 Ca -0.17 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 1t12 n PRO 83 Cb 0.57 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 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 6.38 -3.75 -4.64 3.54 7.64 -1.26 -5.08 113.62 116.46 1t12 n SER 84 Ca 0.51 0.82 -0.45 0.00 1.01 0.00 0.00 58.87 60.76 1t12 n SER 84 Cb 0.40 3.53 -0.02 0.00 -1.01 0.00 0.00 64.21 67.11 1t12 n SER 84 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1t12 n THR 85 N -3.37 1.28 -2.92 0.44 5.66 -1.25 -4.97 114.28 109.16 1t12 n THR 85 Ca 0.00 -0.32 -0.35 0.00 -3.05 0.00 0.00 64.05 60.33 1t12 n THR 85 Cb 0.00 -1.24 -0.06 0.00 -1.55 0.00 0.00 70.33 67.48 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 -0.03 7.06 -0.09 1.09 2.15 -1.26 -4.97 116.67 120.62 1t12 s ASP 86 Ca 0.66 1.61 0.06 0.00 0.43 0.00 0.00 52.55 55.32 1t12 s ASP 86 Cb -0.70 -2.50 -0.10 0.00 -0.30 0.00 0.00 42.92 39.32 1t12 s ASP 86 CO 0.54 -0.17 0.01 0.00 -0.17 0.00 0.00 175.17 175.38 1t12 h SER 88 N 0.00 0.28 -0.36 0.00 4.64 -1.94 0.24 113.55 116.40 1t12 h SER 88 Ca -0.23 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1t12 h SER 88 Cb 1.49 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1t12 h SER 88 CO 0.01 -0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.21 1t12 n LYS 89 N -4.56 3.12 -2.81 4.77 4.76 -1.26 -4.91 118.16 117.26 1t12 n LYS 89 Ca 0.31 -1.84 -0.42 0.00 -2.87 0.00 0.00 58.31 53.49 1t12 n LYS 89 Cb 1.22 -1.86 -0.03 0.00 -1.84 0.00 0.00 35.03 32.51 1t12 n LYS 89 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t12 s VAL 90 N -1.95 4.79 -2.71 -0.18 1.01 0.84 -5.19 120.40 117.02 1t12 s VAL 90 Ca 0.32 1.73 0.26 0.00 0.00 0.00 0.00 61.98 64.29 1t12 s VAL 90 Cb 0.23 -4.18 0.40 0.00 0.00 0.00 0.00 36.38 32.83 1t12 s VAL 90 CO 0.11 -0.10 1.55 0.00 0.00 0.00 0.00 175.10 176.66