#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 4.58 0.07 0.00 -1.09 -1.26 -5.09 121.20 118.41 1t12 s ILE 2 Ca 0.00 1.12 -0.06 0.00 -2.23 0.00 0.00 60.65 59.48 1t12 s ILE 2 Cb 0.00 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1t12 s ILE 2 CO 0.00 -0.28 0.12 0.42 -1.23 0.00 0.00 174.94 173.96 1t12 s THR 3 N -2.11 0.16 0.38 2.92 -4.23 -1.26 -5.02 115.64 106.48 1t12 s THR 3 Ca 0.57 -1.30 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 1t12 s THR 3 Cb -0.10 -1.27 0.26 0.00 1.34 0.00 0.00 72.50 72.73 1t12 s THR 3 CO 0.18 -0.72 2.03 0.00 -0.54 0.00 0.00 174.62 175.56 1t12 h GLY 5 N 0.70 1.12 1.18 0.00 0.00 -1.99 0.37 103.07 104.46 1t12 h GLY 5 Ca 0.18 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.28 1t12 h GLY 5 CO -0.04 0.11 0.46 1.46 0.00 0.00 0.00 176.54 178.54 1t12 h GLN 6 N 0.70 0.82 0.23 4.80 4.20 -1.77 -1.75 115.11 122.33 1t12 h GLN 6 Ca 0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1t12 h GLN 6 Cb 0.31 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1t12 h GLN 6 CO -0.24 0.54 -0.11 0.28 -0.67 0.00 0.00 178.83 178.64 1t12 h VAL 7 N 0.84 0.00 -0.72 -0.54 2.07 -0.84 -3.13 116.25 113.94 1t12 h VAL 7 Ca 0.28 -0.40 0.16 0.00 0.82 0.00 0.00 66.70 67.56 1t12 h VAL 7 Cb 0.07 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.72 1t12 h VAL 7 CO -0.08 0.00 -0.04 0.74 0.02 0.00 0.00 177.57 178.21 1t12 h THR 8 N -0.70 0.35 0.20 2.57 2.02 -0.31 0.85 112.91 117.89 1t12 h THR 8 Ca -0.03 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1t12 h THR 8 Cb 0.23 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1t12 h THR 8 CO 0.05 0.01 -0.31 0.77 0.37 0.00 0.00 175.52 176.41 1t12 h SER 9 N 0.08 -0.88 -0.25 4.18 4.64 -1.44 0.54 113.55 120.42 1t12 h SER 9 Ca 0.38 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.75 1t12 h SER 9 Cb 0.64 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1t12 h SER 9 CO -0.66 -0.42 0.03 0.78 -0.87 0.00 0.00 176.83 175.69 1t12 h ASN 10 N -0.59 0.49 0.03 4.97 2.35 -1.26 -1.30 115.58 120.27 1t12 h ASN 10 Ca 0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1t12 h ASN 10 Cb 0.58 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1t12 h ASN 10 CO -0.13 0.54 0.00 0.18 -1.65 0.00 0.00 177.43 176.37 1t12 n LEU 11 N -4.30 0.00 -0.06 1.61 7.99 0.20 -4.37 117.00 118.07 1t12 n LEU 11 Ca 0.02 0.02 -0.08 0.00 -0.01 0.00 0.00 56.01 55.96 1t12 n LEU 11 Cb 0.22 -0.02 -0.01 0.00 -0.11 0.00 0.00 43.42 43.51 1t12 n LEU 11 CO 0.38 -0.00 0.72 0.00 -1.51 0.00 0.00 177.39 176.98 1t12 h ALA 12 N 3.52 -0.04 0.00 -1.18 0.00 0.31 0.29 119.26 122.16 1t12 h ALA 12 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1t12 h ALA 12 Cb 0.01 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1t12 h ALA 12 CO 0.00 -0.62 -0.24 -1.35 0.00 0.00 0.00 179.25 177.04 1t12 h PRO 13 N -0.20 0.00 0.08 0.00 0.11 -1.83 -2.46 132.00 127.70 1t12 h PRO 13 Ca 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1t12 h PRO 13 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1t12 h PRO 13 CO -0.39 0.24 -0.04 0.00 -0.21 0.00 0.00 178.00 177.61 1t12 h LEU 15 N -0.37 0.40 -0.55 0.00 3.38 -0.21 0.33 115.31 118.29 1t12 h LEU 15 Ca -0.01 0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1t12 h LEU 15 Cb 0.32 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1t12 h LEU 15 CO 0.02 0.03 -0.50 0.00 0.09 0.00 0.00 178.44 178.08 1t12 h ALA 16 N 1.70 0.73 -0.75 1.53 0.00 -1.04 -2.57 119.26 118.86 1t12 h ALA 16 Ca 0.57 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1t12 h ALA 16 Cb 1.06 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1t12 h ALA 16 CO -0.51 0.67 0.50 -0.92 0.00 0.00 0.00 179.25 178.99 1t12 h TYR 17 N 0.47 0.85 -0.59 0.00 3.20 0.25 -1.54 116.97 119.61 1t12 h TYR 17 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1t12 h TYR 17 Cb 1.03 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1t12 h TYR 17 CO 0.04 0.47 0.34 -0.07 -1.64 0.00 0.00 178.16 177.31 1t12 h LEU 18 N 0.86 0.71 0.00 2.82 3.38 -0.13 0.78 115.31 123.74 1t12 h LEU 18 Ca 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1t12 h LEU 18 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1t12 h LEU 18 CO -0.10 0.56 0.00 0.54 0.09 0.00 0.00 178.44 179.53 1t12 n ARG 19 N -4.40 0.52 -4.11 1.13 1.74 -0.61 -3.35 116.66 107.57 1t12 n ARG 19 Ca 0.06 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 1t12 n ARG 19 Cb 0.08 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1t12 n ARG 19 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1t12 n ASN 20 N -0.90 -3.55 0.08 0.55 3.02 0.27 -4.85 115.26 109.88 1t12 n ASN 20 Ca 0.10 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1t12 n ASN 20 Cb 0.05 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 1t12 n ASN 20 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1t12 n THR 21 N -4.47 0.77 -3.70 3.41 -1.04 -1.05 -5.06 114.28 103.14 1t12 n THR 21 Ca 0.04 0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.96 1t12 n THR 21 Cb 0.51 -1.19 -0.05 0.00 -1.82 0.00 0.00 70.33 67.78 1t12 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1t12 s GLY 22 N -4.29 2.27 0.73 3.41 0.00 -1.00 -4.96 107.32 103.48 1t12 s GLY 22 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 44.72 44.08 1t12 s GLY 22 CO 0.00 -0.35 1.09 2.56 0.00 0.00 0.00 173.10 176.40 1t12 s PRO 23 N -1.90 2.65 0.14 2.90 0.04 -1.26 -2.12 135.00 135.44 1t12 s PRO 23 Ca 0.30 0.60 -0.13 0.00 0.04 0.00 0.00 61.00 61.81 1t12 s PRO 23 Cb -0.13 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 1t12 s PRO 23 CO 0.18 -1.21 1.57 -0.07 0.04 0.00 0.00 177.00 177.51 1t12 h LEU 24 N -0.79 0.84 0.00 -3.56 3.38 -1.96 -3.43 115.31 109.79 1t12 h LEU 24 Ca -0.45 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1t12 h LEU 24 Cb 1.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1t12 h LEU 24 CO 0.61 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.73 1t12 n GLY 25 N -0.29 0.80 1.13 0.83 0.00 -1.26 -1.21 105.19 105.19 1t12 n GLY 25 Ca -0.00 0.47 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 2.00 -0.08 1.61 3.00 -1.26 -4.77 116.66 117.16 1t12 n ARG 26 Ca 0.00 -3.44 -0.10 0.00 -0.01 0.00 0.00 57.85 54.30 1t12 n ARG 26 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 32.46 30.77 1t12 n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t12 h GLY 29 N 0.42 0.25 1.39 0.00 0.00 -1.89 0.26 103.07 103.50 1t12 h GLY 29 Ca 0.53 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 1t12 h GLY 29 CO -0.50 0.09 0.18 -1.33 0.00 0.00 0.00 176.54 174.98 1t12 h GLY 30 N 0.24 0.84 0.88 4.60 0.00 -0.10 0.35 103.07 109.88 1t12 h GLY 30 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1t12 h GLY 30 CO -0.01 0.42 -0.22 -2.08 0.00 0.00 0.00 176.54 174.65 1t12 h VAL 31 N 0.77 0.54 -0.84 4.60 2.07 0.22 -2.94 116.25 120.68 1t12 h VAL 31 Ca 0.18 -0.22 0.13 0.00 0.82 0.00 0.00 66.70 67.61 1t12 h VAL 31 Cb 0.20 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 1t12 h VAL 31 CO -0.01 0.04 0.45 0.50 0.02 0.00 0.00 177.57 178.56 1t12 h LYS 32 N -0.74 0.65 -0.71 1.57 3.64 -0.04 0.59 116.57 121.53 1t12 h LYS 32 Ca -0.06 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.42 1t12 h LYS 32 Cb 0.53 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 1t12 h LYS 32 CO 0.10 0.43 0.20 0.00 -2.27 0.00 0.00 179.45 177.92 1t12 h ALA 33 N 1.53 0.93 -0.32 5.00 0.00 -0.18 -0.45 119.26 125.77 1t12 h ALA 33 Ca 0.44 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.33 1t12 h ALA 33 Cb 0.56 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1t12 h ALA 33 CO -0.33 -0.29 -0.45 -0.07 0.00 0.00 0.00 179.25 178.11 1t12 h LEU 34 N 0.32 0.89 -0.81 0.00 3.38 -0.76 -3.21 115.31 115.12 1t12 h LEU 34 Ca 0.39 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1t12 h LEU 34 Cb 0.64 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 1t12 h LEU 34 CO -0.46 1.20 0.41 0.58 0.09 0.00 0.00 178.44 180.27 1t12 h VAL 35 N 0.66 0.76 -0.56 1.22 2.07 0.18 0.95 116.25 121.54 1t12 h VAL 35 Ca 0.04 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1t12 h VAL 35 Cb 1.02 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.78 1t12 h VAL 35 CO 0.10 0.11 -0.09 0.78 0.02 0.00 0.00 177.57 178.49 1t12 h ASN 36 N 0.62 -0.43 0.03 0.57 2.35 -1.45 -2.80 115.58 114.48 1t12 h ASN 36 Ca 0.43 0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 56.26 1t12 h ASN 36 Cb 0.56 0.31 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 1t12 h ASN 36 CO -0.34 -0.16 -0.40 0.77 -1.65 0.00 0.00 177.43 175.66 1t12 h SER 37 N 0.04 0.11 0.00 5.81 4.64 -0.87 -3.31 113.55 119.97 1t12 h SER 37 Ca 0.27 -0.92 -0.01 0.00 -0.47 0.00 0.00 61.79 60.66 1t12 h SER 37 Cb 0.43 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1t12 h SER 37 CO -0.54 1.17 0.24 0.00 -0.87 0.00 0.00 176.83 176.84 1t12 n ALA 38 N -2.75 1.72 -1.82 5.18 0.00 0.30 -3.18 120.51 119.95 1t12 n ALA 38 Ca -0.15 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.17 1t12 n ALA 38 Cb 0.59 -2.12 0.02 0.00 0.00 0.00 0.00 19.45 17.95 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 2.56 0.18 -2.22 0.00 5.12 -1.07 -3.67 116.66 117.56 1t12 n ARG 39 Ca 0.03 -1.17 -0.36 0.00 -1.93 0.00 0.00 57.85 54.42 1t12 n ARG 39 Cb 0.09 -0.63 0.02 0.00 -1.16 0.00 0.00 32.46 30.79 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 -0.18 3.54 0.00 0.55 -1.04 -1.19 -4.86 114.28 111.10 1t12 n THR 40 Ca 0.02 -4.75 0.00 0.00 -2.04 0.00 0.00 64.05 57.28 1t12 n THR 40 Cb 0.68 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 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 -0.45 0.00 -0.02 12.58 -1.04 -1.26 -3.95 114.28 120.14 1t12 n THR 41 Ca 0.48 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.47 1t12 n THR 41 Cb 0.36 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.86 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 -0.07 -0.75 -2.82 4.81 -1.93 -3.29 114.58 110.52 1t12 h GLU 42 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1t12 h GLU 42 Cb 0.00 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 29.27 1t12 h GLU 42 CO 0.00 0.01 0.00 -0.44 -0.73 0.00 0.00 179.01 177.85 1t12 h ASP 43 N -1.02 -0.35 -0.72 1.04 5.19 -1.84 0.38 116.42 119.10 1t12 h ASP 43 Ca -0.01 0.19 0.14 0.00 -0.62 0.00 0.00 57.03 56.73 1t12 h ASP 43 Cb 0.12 0.34 -0.14 0.00 0.18 0.00 0.00 39.33 39.83 1t12 h ASP 43 CO 0.01 -0.18 -0.24 -0.09 -3.12 0.00 0.00 179.24 175.62 1t12 h ARG 44 N 0.10 -0.05 -0.38 3.56 2.43 -1.72 -0.74 114.38 117.59 1t12 h ARG 44 Ca 0.41 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.49 1t12 h ARG 44 Cb 0.72 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1t12 h ARG 44 CO -0.66 -0.03 -0.13 1.96 -1.51 0.00 0.00 179.97 179.60 1t12 h GLN 45 N -0.05 0.69 0.17 0.20 4.20 -0.33 -0.45 115.11 119.54 1t12 h GLN 45 Ca 0.32 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1t12 h GLN 45 Cb 0.55 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1t12 h GLN 45 CO -0.76 0.79 -0.08 0.82 -0.67 0.00 0.00 178.83 178.93 1t12 h ILE 46 N 0.62 0.86 -0.03 2.54 1.08 -0.66 0.95 117.51 122.88 1t12 h ILE 46 Ca 0.11 -0.15 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1t12 h ILE 46 Cb 0.58 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 1t12 h ILE 46 CO 0.04 0.04 -0.19 0.00 -0.69 0.00 0.00 178.15 177.35 1t12 h ALA 47 N 0.51 -0.21 -0.47 1.87 0.00 -0.80 0.14 119.26 120.30 1t12 h ALA 47 Ca -0.02 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1t12 h ALA 47 Cb 0.24 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1t12 h ALA 47 CO 0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 179.25 178.53 1t12 h THR 49 N 0.02 1.03 -0.23 0.00 2.02 0.06 0.26 112.91 116.08 1t12 h THR 49 Ca 0.23 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1t12 h THR 49 Cb 0.35 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1t12 h THR 49 CO -0.46 0.03 0.15 0.00 0.37 0.00 0.00 175.52 175.60 1t12 h LEU 51 N 0.31 0.41 -0.63 0.00 3.38 0.36 0.28 115.31 119.42 1t12 h LEU 51 Ca 0.09 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.00 1t12 h LEU 51 Cb -0.02 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 40.50 1t12 h LEU 51 CO -0.02 0.48 -0.21 0.50 0.09 0.00 0.00 178.44 179.28 1t12 h LYS 52 N 0.32 -0.05 -0.25 1.13 3.64 -0.40 0.20 116.57 121.15 1t12 h LYS 52 Ca 0.10 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 1t12 h LYS 52 Cb 0.21 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1t12 h LYS 52 CO -0.01 -0.03 -0.49 0.66 -2.27 0.00 0.00 179.45 177.31 1t12 h SER 53 N -0.05 0.74 -0.20 4.20 4.64 -0.96 0.46 113.55 122.37 1t12 h SER 53 Ca 0.29 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1t12 h SER 53 Cb 0.50 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1t12 h SER 53 CO -0.67 1.11 0.07 0.00 -0.87 0.00 0.00 176.83 176.46 1t12 h ALA 54 N 0.92 0.26 -0.06 5.18 0.00 0.11 -2.86 119.26 122.82 1t12 h ALA 54 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1t12 h ALA 54 Cb 1.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1t12 h ALA 54 CO 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1t12 h ALA 55 N 0.90 0.08 -0.15 0.00 0.00 -0.74 -3.32 119.26 116.04 1t12 h ALA 55 Ca 0.07 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.32 1t12 h ALA 55 Cb 0.20 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.01 1t12 h ALA 55 CO -0.00 -0.25 1.56 0.41 0.00 0.00 0.00 179.25 180.97 1t12 n GLY 56 N -0.28 1.48 0.42 0.00 0.00 0.15 -2.98 105.19 103.98 1t12 n GLY 56 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1t12 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t12 n ALA 57 N 10.99 0.00 -1.50 4.61 0.00 -1.25 -4.76 120.51 128.59 1t12 n ALA 57 Ca 0.47 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 53.38 1t12 n ALA 57 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 1t12 n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1t12 n ILE 58 N -2.34 0.83 -0.05 0.00 2.08 -1.16 -4.93 119.36 113.79 1t12 n ILE 58 Ca 0.00 -0.21 -0.10 0.00 0.56 0.00 0.00 62.75 63.00 1t12 n ILE 58 Cb 0.00 -0.30 -0.09 0.00 -0.75 0.00 0.00 39.64 38.50 1t12 n ILE 58 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1t12 h SER 59 N 2.62 -0.02 -0.24 4.38 0.87 -1.98 -3.33 113.55 115.85 1t12 h SER 59 Ca -0.42 -0.67 -0.19 0.00 -1.23 0.00 0.00 61.79 59.28 1t12 h SER 59 Cb 1.40 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.29 1t12 h SER 59 CO 0.65 0.80 0.02 0.61 -0.53 0.00 0.00 176.83 178.38 1t12 n GLY 60 N 1.52 3.22 3.74 5.77 0.00 -1.26 -4.94 105.19 113.25 1t12 n GLY 60 Ca -0.07 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.48 3.94 -0.26 -0.61 2.07 -1.25 -4.21 121.20 120.40 1t12 s ILE 61 Ca 0.34 1.77 -0.09 0.00 -1.41 0.00 0.00 60.65 61.26 1t12 s ILE 61 Cb 0.19 -4.13 -0.04 0.00 0.13 0.00 0.00 42.46 38.62 1t12 s ILE 61 CO -0.03 0.35 0.11 0.21 -1.91 0.00 0.00 174.94 173.67 1t12 s ASN 62 N -0.47 5.44 0.19 4.50 2.47 -1.21 -5.00 114.94 120.85 1t12 s ASN 62 Ca 0.46 -0.13 -0.12 0.00 0.42 0.00 0.00 52.86 53.49 1t12 s ASN 62 Cb -0.28 -1.99 0.15 0.00 -1.45 0.00 0.00 41.25 37.68 1t12 s ASN 62 CO 0.35 -0.04 1.81 0.25 -3.72 0.00 0.00 177.10 175.75 1t12 h LEU 63 N 8.25 0.49 -0.95 3.21 5.85 -1.96 0.18 115.31 130.38 1t12 h LEU 63 Ca -0.37 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.50 1t12 h LEU 63 Cb 1.18 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 1t12 h LEU 63 CO 0.57 0.34 0.57 1.23 -0.34 0.00 0.00 178.44 180.81 1t12 h GLY 64 N 0.62 1.56 1.11 3.75 0.00 -1.97 0.39 103.07 108.53 1t12 h GLY 64 Ca 0.24 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 1t12 h GLY 64 CO -0.14 0.09 -0.59 1.70 0.00 0.00 0.00 176.54 177.60 1t12 h LYS 65 N 0.87 0.80 -0.23 4.80 3.64 -1.67 0.46 116.57 125.24 1t12 h LYS 65 Ca 0.49 -0.56 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1t12 h LYS 65 Cb 0.55 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1t12 h LYS 65 CO -0.29 1.18 0.05 0.00 -2.27 0.00 0.00 179.45 178.12 1t12 h ALA 66 N 0.62 0.23 0.00 5.00 0.00 0.22 0.81 119.26 126.14 1t12 h ALA 66 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1t12 h ALA 66 Cb 1.21 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1t12 h ALA 66 CO 0.13 -0.38 -0.13 0.00 0.00 0.00 0.00 179.25 178.87 1t12 h ALA 67 N 1.16 1.00 0.00 0.00 0.00 -0.20 -2.64 119.26 118.59 1t12 h ALA 67 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t12 h ALA 67 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1t12 h ALA 67 CO -0.14 0.17 -0.33 0.78 0.00 0.00 0.00 179.25 179.73 1t12 h GLY 68 N 2.24 0.00 0.80 0.00 0.00 0.87 -3.39 103.07 103.59 1t12 h GLY 68 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1t12 h GLY 68 CO 0.02 0.00 0.20 -2.00 0.00 0.00 0.00 176.54 174.75 1t12 h LEU 69 N 0.00 0.29 -0.71 3.11 5.85 0.99 0.33 115.31 125.17 1t12 h LEU 69 Ca 0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1t12 h LEU 69 Cb 0.80 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1t12 h LEU 69 CO 0.00 0.21 0.47 -0.65 -0.34 0.00 0.00 178.44 178.13 1t12 h PRO 70 N 0.40 0.94 -0.74 5.25 0.11 -1.76 0.18 132.00 136.38 1t12 h PRO 70 Ca 0.17 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1t12 h PRO 70 Cb 0.07 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 1t12 h PRO 70 CO -0.12 0.63 0.48 0.77 -0.21 0.00 0.00 178.00 179.56 1t12 h SER 71 N 0.97 0.86 0.01 -2.05 0.02 -1.50 -0.14 113.55 111.72 1t12 h SER 71 Ca 0.26 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1t12 h SER 71 Cb -0.10 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1t12 h SER 71 CO -0.06 0.63 -0.01 0.74 -1.14 0.00 0.00 176.83 177.00 1t12 h THR 72 N 1.01 1.16 -1.26 -2.27 2.02 -0.04 -2.78 112.91 110.75 1t12 h THR 72 Ca 0.27 -0.53 -0.75 0.00 0.77 0.00 0.00 66.41 66.17 1t12 h THR 72 Cb -0.10 1.52 -0.14 0.00 -1.74 0.00 0.00 68.15 67.69 1t12 h THR 72 CO -0.06 0.14 2.22 0.00 0.37 0.00 0.00 175.52 178.19 1t12 n GLY 74 N 2.41 -0.18 3.16 0.00 0.00 -0.13 -4.67 105.19 105.79 1t12 n GLY 74 Ca 0.49 1.12 -0.09 0.00 0.00 0.00 0.00 46.02 47.54 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 6.27 0.14 -1.49 1.61 -7.23 -1.24 -5.05 120.40 113.40 1t12 s VAL 75 Ca 1.21 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.13 1t12 s VAL 75 Cb -1.48 -1.12 0.01 0.00 0.56 0.00 0.00 36.38 34.35 1t12 s VAL 75 CO 0.64 -0.63 2.51 -0.46 -0.31 0.00 0.00 175.10 176.86 1t12 n ASN 76 N 0.38 6.54 -4.71 4.85 6.94 -1.26 -4.93 115.26 123.06 1t12 n ASN 76 Ca -0.17 -2.80 -0.35 0.00 -0.02 0.00 0.00 54.58 51.24 1t12 n ASN 76 Cb 0.60 -1.56 -0.09 0.00 -2.36 0.00 0.00 39.78 36.38 1t12 n ASN 76 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1t12 s ILE 77 N 1.93 5.00 -0.91 1.53 -4.36 -1.26 -5.02 121.20 118.11 1t12 s ILE 77 Ca 0.56 0.03 -0.06 0.00 -0.26 0.00 0.00 60.65 60.93 1t12 s ILE 77 Cb 0.16 -3.22 -0.00 0.00 1.25 0.00 0.00 42.46 40.64 1t12 s ILE 77 CO -0.07 0.51 2.82 -0.81 0.24 0.00 0.00 174.94 177.64 1t12 n PRO 78 N 2.98 3.36 -3.63 0.37 -0.04 -1.26 -4.83 135.00 131.94 1t12 n PRO 78 Ca -0.18 -2.48 -0.05 0.00 -0.04 0.00 0.00 63.50 60.75 1t12 n PRO 78 Cb 0.53 -2.42 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 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 -0.32 -0.16 -0.44 0.54 1.13 -1.26 -5.03 117.35 111.82 1t12 s TYR 79 Ca 0.61 0.31 0.05 0.00 -1.41 0.00 0.00 57.07 56.63 1t12 s TYR 79 Cb 0.26 0.47 0.67 0.00 -1.10 0.00 0.00 41.96 42.26 1t12 s TYR 79 CO -0.11 -0.12 1.90 1.63 -2.51 0.00 0.00 175.55 176.34 1t12 n LYS 80 N 1.00 2.33 -4.00 -3.49 5.02 -1.26 -4.91 118.16 112.85 1t12 n LYS 80 Ca -0.06 -3.02 -0.32 0.00 -2.02 0.00 0.00 58.31 52.88 1t12 n LYS 80 Cb 0.58 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.09 -1.47 -3.48 -0.18 5.41 -1.26 -3.94 119.36 113.35 1t12 n ILE 81 Ca 0.58 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.96 1t12 n ILE 81 Cb 1.64 -2.23 -0.07 0.00 -0.71 0.00 0.00 39.64 38.27 1t12 n ILE 81 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1t12 s SER 82 N -3.23 6.54 0.49 4.38 0.15 -1.26 -4.65 113.70 116.12 1t12 s SER 82 Ca 0.68 0.64 0.26 0.00 0.70 0.00 0.00 55.95 58.23 1t12 s SER 82 Cb -0.36 -2.21 1.33 0.00 -1.71 0.00 0.00 66.02 63.07 1t12 s SER 82 CO 0.84 0.10 1.87 -0.65 1.20 0.00 0.00 173.24 176.60 1t12 h PRO 83 N 6.46 0.15 -0.00 5.44 0.11 -1.91 -1.71 132.00 140.54 1t12 h PRO 83 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1t12 h PRO 83 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1t12 h PRO 83 CO 0.74 0.10 -0.24 0.43 -0.21 0.00 0.00 178.00 178.82 1t12 n SER 84 N -4.37 0.30 -4.64 -2.05 7.64 -1.26 -4.83 113.62 104.40 1t12 n SER 84 Ca 0.19 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.66 1t12 n SER 84 Cb 0.87 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1t12 n SER 84 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1t12 s THR 85 N -2.93 4.63 0.04 0.44 2.01 -0.65 -5.02 115.64 114.17 1t12 s THR 85 Ca 0.15 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1t12 s THR 85 Cb 0.18 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 1t12 s THR 85 CO 0.60 -0.31 1.18 -0.62 -0.69 0.00 0.00 174.62 174.78 1t12 s ASP 86 N 1.45 7.10 -0.25 3.53 2.15 -1.26 -4.87 116.67 124.52 1t12 s ASP 86 Ca 0.43 1.96 0.21 0.00 0.43 0.00 0.00 52.55 55.58 1t12 s ASP 86 Cb -0.14 -2.58 0.48 0.00 -0.30 0.00 0.00 42.92 40.38 1t12 s ASP 86 CO 0.11 -0.46 1.20 0.00 -0.17 0.00 0.00 175.17 175.84 1t12 n SER 88 N -0.69 2.71 -2.14 0.00 7.64 -1.26 -4.50 113.62 115.38 1t12 n SER 88 Ca 0.02 -1.84 -0.10 0.00 1.01 0.00 0.00 58.87 57.96 1t12 n SER 88 Cb 0.84 -0.03 0.05 0.00 -1.01 0.00 0.00 64.21 64.06 1t12 n SER 88 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1t12 n LYS 89 N 1.12 2.45 -3.21 1.43 4.01 -1.26 -5.01 118.16 117.69 1t12 n LYS 89 Ca 0.12 -3.68 -0.39 0.00 -0.51 0.00 0.00 58.31 53.86 1t12 n LYS 89 Cb 0.50 -1.79 -0.06 0.00 -0.51 0.00 0.00 35.03 33.17 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 -3.82 5.12 -2.21 -0.18 1.01 -1.26 -5.21 120.40 113.85 1t12 s VAL 90 Ca 0.40 1.13 0.30 0.00 0.00 0.00 0.00 61.98 63.81 1t12 s VAL 90 Cb 0.37 -3.90 0.76 0.00 0.00 0.00 0.00 36.38 33.61 1t12 s VAL 90 CO -0.02 0.27 2.02 0.00 0.00 0.00 0.00 175.10 177.38