#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 3.18 0.08 0.00 -0.00 -1.26 -5.08 121.20 118.13 1t12 s ILE 2 Ca 0.00 0.74 -0.12 0.00 -0.00 0.00 0.00 60.65 61.27 1t12 s ILE 2 Cb 0.00 -3.30 0.01 0.00 -0.00 0.00 0.00 42.46 39.18 1t12 s ILE 2 CO 0.00 -0.16 0.27 0.42 -0.00 0.00 0.00 174.94 175.47 1t12 s THR 3 N -1.78 0.11 0.26 8.37 -4.23 -1.26 -5.05 115.64 112.05 1t12 s THR 3 Ca 0.73 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1t12 s THR 3 Cb -0.24 -1.15 0.25 0.00 1.34 0.00 0.00 72.50 72.70 1t12 s THR 3 CO 0.27 -0.49 1.70 0.00 -0.54 0.00 0.00 174.62 175.56 1t12 h GLY 5 N 0.34 1.15 0.85 0.00 0.00 -1.99 0.97 103.07 104.39 1t12 h GLY 5 Ca 0.46 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 1t12 h GLY 5 CO -0.50 -0.02 -0.18 1.46 0.00 0.00 0.00 176.54 177.31 1t12 h GLN 6 N 0.54 0.51 0.39 4.80 4.20 -1.41 -1.65 115.11 122.48 1t12 h GLN 6 Ca 0.40 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1t12 h GLN 6 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1t12 h GLN 6 CO -0.34 0.82 -0.20 0.28 -0.67 0.00 0.00 178.83 178.72 1t12 h VAL 7 N 0.21 0.59 -0.91 -0.54 2.07 -0.24 0.12 116.25 117.54 1t12 h VAL 7 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1t12 h VAL 7 Cb 0.71 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1t12 h VAL 7 CO 0.05 0.00 0.59 0.74 0.02 0.00 0.00 177.57 178.97 1t12 h THR 8 N -0.54 1.16 -0.56 2.57 2.02 -0.91 -2.16 112.91 114.48 1t12 h THR 8 Ca -0.05 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.76 1t12 h THR 8 Cb 0.43 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1t12 h THR 8 CO 0.07 0.21 0.35 -1.28 0.37 0.00 0.00 175.52 175.24 1t12 h SER 9 N 1.15 0.58 -0.81 4.18 0.87 -0.58 -0.55 113.55 118.39 1t12 h SER 9 Ca 0.36 -0.00 0.12 0.00 -1.23 0.00 0.00 61.79 61.04 1t12 h SER 9 Cb -0.01 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 61.74 1t12 h SER 9 CO -0.12 0.41 0.42 0.78 -0.53 0.00 0.00 176.83 177.79 1t12 h ASN 10 N 0.70 0.53 -0.18 6.23 4.21 -0.18 -0.38 115.58 126.51 1t12 h ASN 10 Ca 0.22 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.79 1t12 h ASN 10 Cb -0.00 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.17 1t12 h ASN 10 CO -0.09 0.26 0.03 0.18 -1.29 0.00 0.00 177.43 176.52 1t12 n LEU 11 N -4.85 2.65 -0.03 1.61 4.32 -0.29 -4.40 117.00 116.02 1t12 n LEU 11 Ca 0.15 -1.35 -0.09 0.00 -0.02 0.00 0.00 56.01 54.71 1t12 n LEU 11 Cb 0.37 -0.56 -0.02 0.00 -1.62 0.00 0.00 43.42 41.59 1t12 n LEU 11 CO 0.23 0.41 0.71 0.00 -1.22 0.00 0.00 177.39 177.52 1t12 h ALA 12 N 2.43 -0.12 0.00 -1.18 0.00 -0.28 -1.06 119.26 119.05 1t12 h ALA 12 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1t12 h ALA 12 Cb 1.03 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1t12 h ALA 12 CO 0.17 -0.65 0.00 -1.00 0.00 0.00 0.00 179.25 177.77 1t12 h PRO 13 N -0.24 0.00 -0.26 0.00 0.13 -1.85 -2.56 132.00 127.23 1t12 h PRO 13 Ca 0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 1t12 h PRO 13 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1t12 h PRO 13 CO -0.34 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 177.12 1t12 h LEU 15 N 0.46 0.31 -0.47 0.00 3.38 -0.86 0.76 115.31 118.88 1t12 h LEU 15 Ca 0.06 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.24 1t12 h LEU 15 Cb 0.77 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1t12 h LEU 15 CO 0.06 0.01 0.17 0.00 0.09 0.00 0.00 178.44 178.77 1t12 h ALA 16 N 1.69 0.57 -0.91 1.53 0.00 -1.66 0.21 119.26 120.69 1t12 h ALA 16 Ca 0.54 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1t12 h ALA 16 Cb 1.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1t12 h ALA 16 CO -0.52 -0.22 0.58 -0.92 0.00 0.00 0.00 179.25 178.18 1t12 h TYR 17 N 0.35 1.17 -0.37 0.00 3.20 0.43 -2.40 116.97 119.35 1t12 h TYR 17 Ca 0.22 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 1t12 h TYR 17 Cb 0.22 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1t12 h TYR 17 CO -0.16 0.75 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.93 1t12 h LEU 18 N 1.24 0.64 -0.92 2.82 3.38 0.08 -1.42 115.31 121.13 1t12 h LEU 18 Ca 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1t12 h LEU 18 Cb -0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1t12 h LEU 18 CO -0.07 0.79 0.00 -1.14 0.09 0.00 0.00 178.44 178.11 1t12 n ARG 19 N -4.17 0.13 -2.81 1.13 3.00 0.65 -1.22 116.66 113.37 1t12 n ARG 19 Ca 0.01 0.53 -0.10 0.00 -0.00 0.00 0.00 57.85 58.29 1t12 n ARG 19 Cb 0.35 -1.84 0.05 0.00 0.00 0.00 0.00 32.46 31.02 1t12 n ARG 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1t12 n ASN 20 N -2.10 -2.42 0.00 6.15 5.15 -0.53 -4.77 115.26 116.73 1t12 n ASN 20 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.60 1t12 n ASN 20 Cb 0.10 -3.26 0.00 0.00 -0.53 0.00 0.00 39.78 36.09 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 -2.82 0.00 -3.18 -0.44 5.66 -1.21 -5.09 114.28 107.21 1t12 n THR 21 Ca -0.15 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.58 1t12 n THR 21 Cb 0.60 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.36 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 -1.80 1.58 1.04 1.09 0.00 -1.09 -5.00 107.32 103.15 1t12 s GLY 22 Ca 0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 1t12 s GLY 22 CO 0.00 -0.56 1.17 2.56 0.00 0.00 0.00 173.10 176.27 1t12 s PRO 23 N -4.12 0.03 0.14 2.90 0.04 -1.26 -3.13 135.00 129.60 1t12 s PRO 23 Ca 0.43 -0.02 -0.03 0.00 0.04 0.00 0.00 61.00 61.42 1t12 s PRO 23 Cb -0.10 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1t12 s PRO 23 CO 0.36 -2.88 1.34 -0.07 0.04 0.00 0.00 177.00 175.78 1t12 h LEU 24 N -1.99 0.50 0.00 -3.56 4.07 -1.95 -3.36 115.31 109.02 1t12 h LEU 24 Ca -0.47 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.11 1t12 h LEU 24 Cb 1.29 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1t12 h LEU 24 CO 0.45 1.17 0.00 0.61 -1.08 0.00 0.00 178.44 179.59 1t12 n GLY 25 N 0.86 3.80 2.27 0.83 0.00 -1.26 -0.89 105.19 110.79 1t12 n GLY 25 Ca -0.06 0.17 -0.31 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 2.53 0.21 1.61 5.12 -1.26 -4.58 116.66 134.28 1t12 n ARG 26 Ca 0.00 -3.11 -0.15 0.00 -1.93 0.00 0.00 57.85 52.66 1t12 n ARG 26 Cb 0.00 -2.22 -0.08 0.00 -1.16 0.00 0.00 32.46 29.00 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 0.78 0.39 0.97 0.00 0.00 -1.87 0.25 103.07 103.59 1t12 h GLY 29 Ca 0.43 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 1t12 h GLY 29 CO -0.27 0.11 0.12 -1.33 0.00 0.00 0.00 176.54 175.16 1t12 h GLY 30 N 0.33 0.83 0.96 4.60 0.00 -0.55 -2.98 103.07 106.26 1t12 h GLY 30 Ca 0.11 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1t12 h GLY 30 CO -0.06 0.48 -0.09 -2.08 0.00 0.00 0.00 176.54 174.79 1t12 h VAL 31 N 0.65 0.83 -0.96 4.60 2.07 -0.64 -2.96 116.25 119.83 1t12 h VAL 31 Ca 0.15 -0.10 0.24 0.00 0.82 0.00 0.00 66.70 67.82 1t12 h VAL 31 Cb 0.33 0.89 -0.18 0.00 -1.52 0.00 0.00 31.29 30.81 1t12 h VAL 31 CO 0.00 0.02 -0.04 0.50 0.02 0.00 0.00 177.57 178.08 1t12 h LYS 32 N -0.31 0.02 -0.80 1.57 3.64 -0.37 0.45 116.57 120.76 1t12 h LYS 32 Ca -0.03 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1t12 h LYS 32 Cb 0.24 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1t12 h LYS 32 CO 0.04 0.01 0.50 0.00 -2.27 0.00 0.00 179.45 177.74 1t12 h ALA 33 N 1.95 1.02 -0.00 5.00 0.00 -1.38 -1.09 119.26 124.77 1t12 h ALA 33 Ca 0.55 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 1t12 h ALA 33 Cb 1.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1t12 h ALA 33 CO -0.92 0.47 -0.51 -0.07 0.00 0.00 0.00 179.25 178.23 1t12 h LEU 34 N 1.10 0.01 -0.46 0.00 3.38 -0.22 -2.92 115.31 116.20 1t12 h LEU 34 Ca 0.29 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1t12 h LEU 34 Cb -0.07 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1t12 h LEU 34 CO -0.06 0.52 0.12 0.58 0.09 0.00 0.00 178.44 179.69 1t12 h VAL 35 N 0.01 0.78 -0.56 1.22 2.07 0.32 1.06 116.25 121.16 1t12 h VAL 35 Ca -0.00 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1t12 h VAL 35 Cb 0.91 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1t12 h VAL 35 CO 0.07 0.05 0.09 -0.55 0.02 0.00 0.00 177.57 177.25 1t12 h ASN 36 N 0.26 0.84 0.24 0.57 7.08 -1.37 -3.19 115.58 120.02 1t12 h ASN 36 Ca 0.22 -0.18 -0.33 0.00 -3.08 0.00 0.00 56.30 52.94 1t12 h ASN 36 Cb 0.27 -0.22 0.03 0.00 -2.08 0.00 0.00 38.32 36.32 1t12 h ASN 36 CO -0.27 0.85 -1.48 0.28 -2.08 0.00 0.00 177.43 174.72 1t12 h SER 37 N 0.84 0.79 0.00 6.14 0.02 -1.11 -3.32 113.55 116.91 1t12 h SER 37 Ca 0.18 -0.92 -0.07 0.00 -0.84 0.00 0.00 61.79 60.13 1t12 h SER 37 Cb 0.37 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1t12 h SER 37 CO 0.01 1.71 -0.00 0.00 -1.14 0.00 0.00 176.83 177.40 1t12 n ALA 38 N -2.74 3.65 -2.67 3.77 0.00 0.36 -3.78 120.51 119.10 1t12 n ALA 38 Ca -0.18 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.52 1t12 n ALA 38 Cb 1.08 -1.99 0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 2.37 1.94 -1.22 0.00 5.12 -1.25 -4.35 116.66 119.26 1t12 n ARG 39 Ca 0.16 -3.59 0.04 0.00 -1.93 0.00 0.00 57.85 52.53 1t12 n ARG 39 Cb 0.44 -1.65 0.08 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.49 0.78 0.00 0.55 -1.04 -1.25 -5.00 114.28 107.84 1t12 n THR 40 Ca 0.14 -1.81 0.00 0.00 -2.04 0.00 0.00 64.05 60.34 1t12 n THR 40 Cb 0.82 0.57 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 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 -0.07 0.00 -0.05 12.58 -1.04 -1.26 -3.72 114.28 120.71 1t12 n THR 41 Ca 0.11 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.04 1t12 n THR 41 Cb 0.99 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.49 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 -0.16 -0.45 -2.82 4.22 -1.97 -0.44 114.58 112.96 1t12 h GLU 42 Ca 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 1t12 h GLU 42 Cb 0.00 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1t12 h GLU 42 CO 0.00 -0.11 0.16 -0.44 -2.18 0.00 0.00 179.01 176.45 1t12 h ASP 43 N -0.17 0.64 -0.94 1.04 3.32 -1.86 -2.53 116.42 115.93 1t12 h ASP 43 Ca 0.14 -0.18 0.16 0.00 0.02 0.00 0.00 57.03 57.16 1t12 h ASP 43 Cb 0.38 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 39.66 1t12 h ASP 43 CO -0.35 0.65 0.54 -0.09 -1.72 0.00 0.00 179.24 178.27 1t12 h ARG 44 N 0.59 0.73 -0.90 3.56 2.43 -1.58 -1.63 114.38 117.57 1t12 h ARG 44 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1t12 h ARG 44 Cb 0.22 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1t12 h ARG 44 CO -0.01 0.48 0.57 1.96 -1.51 0.00 0.00 179.97 181.46 1t12 h GLN 45 N 0.75 1.21 0.00 0.20 4.20 -0.65 -2.25 115.11 118.57 1t12 h GLN 45 Ca 0.51 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 59.13 1t12 h GLN 45 Cb 0.71 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1t12 h GLN 45 CO -0.35 0.83 -0.00 0.82 -0.67 0.00 0.00 178.83 179.45 1t12 h ILE 46 N 1.24 1.09 0.04 2.54 1.08 -1.27 0.78 117.51 123.01 1t12 h ILE 46 Ca 0.33 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 1t12 h ILE 46 Cb -0.09 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 1t12 h ILE 46 CO -0.07 0.07 -0.37 0.00 -0.69 0.00 0.00 178.15 177.10 1t12 h ALA 47 N 0.87 -0.84 -0.82 1.87 0.00 -1.13 0.22 119.26 119.44 1t12 h ALA 47 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1t12 h ALA 47 Cb 0.12 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1t12 h ALA 47 CO 0.00 -0.94 0.49 0.00 0.00 0.00 0.00 179.25 178.81 1t12 h THR 49 N 1.12 1.26 -0.62 0.00 2.02 -0.42 0.34 112.91 116.61 1t12 h THR 49 Ca 0.29 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1t12 h THR 49 Cb -0.04 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1t12 h THR 49 CO -0.06 0.30 0.37 0.00 0.37 0.00 0.00 175.52 176.50 1t12 h LEU 51 N 0.84 0.70 -0.62 0.00 3.38 -1.10 0.13 115.31 118.63 1t12 h LEU 51 Ca 0.22 -0.40 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1t12 h LEU 51 Cb -0.02 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.42 1t12 h LEU 51 CO -0.04 0.95 -0.25 0.50 0.09 0.00 0.00 178.44 179.68 1t12 h LYS 52 N 0.45 -0.09 -0.42 1.13 3.64 -0.05 0.53 116.57 121.77 1t12 h LYS 52 Ca 0.07 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1t12 h LYS 52 Cb 0.68 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1t12 h LYS 52 CO 0.05 -0.06 -0.05 0.66 -2.27 0.00 0.00 179.45 177.78 1t12 h SER 53 N -0.09 0.76 0.28 4.20 4.64 -1.02 0.22 113.55 122.54 1t12 h SER 53 Ca 0.28 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1t12 h SER 53 Cb 0.52 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1t12 h SER 53 CO -0.68 0.92 -0.21 0.00 -0.87 0.00 0.00 176.83 175.98 1t12 h ALA 54 N 0.87 -0.48 -0.42 5.18 0.00 0.83 0.85 119.26 126.09 1t12 h ALA 54 Ca 0.11 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1t12 h ALA 54 Cb 0.55 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1t12 h ALA 54 CO 0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 179.25 178.45 1t12 h ALA 55 N 0.18 0.34 -0.77 0.00 0.00 0.01 -0.38 119.26 118.64 1t12 h ALA 55 Ca -0.02 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1t12 h ALA 55 Cb 0.43 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1t12 h ALA 55 CO -0.00 -0.42 0.51 0.78 0.00 0.00 0.00 179.25 180.12 1t12 h GLY 56 N 0.06 0.82 1.77 0.00 0.00 -0.25 -0.48 103.07 105.00 1t12 h GLY 56 Ca 0.21 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1t12 h GLY 56 CO -0.38 0.08 -0.38 0.00 0.00 0.00 0.00 176.54 175.86 1t12 h ALA 57 N 1.64 1.14 -2.63 3.60 0.00 0.87 -3.44 119.26 120.42 1t12 h ALA 57 Ca 0.38 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1t12 h ALA 57 Cb 0.75 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.48 1t12 h ALA 57 CO -0.13 0.57 0.74 0.42 0.00 0.00 0.00 179.25 180.84 1t12 s ILE 58 N -4.21 3.03 -0.04 0.00 1.01 -0.19 -4.95 121.20 115.85 1t12 s ILE 58 Ca -0.05 0.79 -0.24 0.00 0.00 0.00 0.00 60.65 61.16 1t12 s ILE 58 Cb 0.14 -3.51 -0.19 0.00 0.01 0.00 0.00 42.46 38.91 1t12 s ILE 58 CO 0.77 0.09 1.05 0.28 0.00 0.00 0.00 174.94 177.13 1t12 h SER 59 N 6.03 -0.11 -0.40 3.58 0.02 -1.85 -3.24 113.55 117.58 1t12 h SER 59 Ca -0.44 -0.46 -0.26 0.00 -0.84 0.00 0.00 61.79 59.79 1t12 h SER 59 Cb 1.21 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.67 1t12 h SER 59 CO 0.83 0.45 0.30 0.61 -1.14 0.00 0.00 176.83 177.87 1t12 n GLY 60 N 0.48 3.74 3.76 -3.77 0.00 -1.26 -4.95 105.19 103.18 1t12 n GLY 60 Ca -0.08 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.67 3.01 -0.17 -0.61 -1.16 -1.22 -4.37 121.20 115.01 1t12 s ILE 61 Ca 0.28 0.95 -0.03 0.00 -0.51 0.00 0.00 60.65 61.34 1t12 s ILE 61 Cb 0.20 -3.61 -0.02 0.00 0.61 0.00 0.00 42.46 39.65 1t12 s ILE 61 CO -0.02 0.20 -0.06 0.21 -2.81 0.00 0.00 174.94 172.46 1t12 s ASN 62 N -0.29 4.51 0.07 4.50 3.84 -0.36 -5.00 114.94 122.21 1t12 s ASN 62 Ca 0.51 -0.24 -0.22 0.00 0.21 0.00 0.00 52.86 53.12 1t12 s ASN 62 Cb -0.37 -1.74 -0.13 0.00 -0.55 0.00 0.00 41.25 38.46 1t12 s ASN 62 CO 0.46 0.12 1.60 0.25 -2.79 0.00 0.00 177.10 176.73 1t12 h LEU 63 N 7.09 0.13 -1.03 3.21 6.46 -1.95 -1.47 115.31 127.75 1t12 h LEU 63 Ca -0.32 -0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.29 1t12 h LEU 63 Cb 1.19 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 1t12 h LEU 63 CO 0.60 0.27 0.66 1.23 -0.62 0.00 0.00 178.44 180.57 1t12 h GLY 64 N -0.02 1.43 1.08 3.75 0.00 -1.98 -1.52 103.07 105.82 1t12 h GLY 64 Ca 0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1t12 h GLY 64 CO -0.00 0.46 -0.05 0.50 0.00 0.00 0.00 176.54 177.45 1t12 h LYS 65 N 1.30 1.03 0.22 4.80 1.79 -1.83 0.35 116.57 124.23 1t12 h LYS 65 Ca 0.38 -0.36 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1t12 h LYS 65 Cb -0.07 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 1t12 h LYS 65 CO -0.10 1.05 -0.31 0.00 -1.08 0.00 0.00 179.45 179.01 1t12 h ALA 66 N 0.95 -0.59 0.00 3.86 0.00 -0.62 -0.73 119.26 122.13 1t12 h ALA 66 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1t12 h ALA 66 Cb 0.62 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1t12 h ALA 66 CO 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 179.25 178.41 1t12 h ALA 67 N 0.02 1.00 0.00 0.00 0.00 -1.14 -2.54 119.26 116.61 1t12 h ALA 67 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1t12 h ALA 67 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1t12 h ALA 67 CO -0.12 0.00 -0.30 0.78 0.00 0.00 0.00 179.25 179.61 1t12 h GLY 68 N 1.21 0.00 -0.11 0.00 0.00 0.12 -3.36 103.07 100.94 1t12 h GLY 68 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1t12 h GLY 68 CO 0.00 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 177.53 1t12 h LEU 69 N 0.00 -1.33 -2.58 3.11 3.38 -1.12 0.28 115.31 117.05 1t12 h LEU 69 Ca -0.00 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1t12 h LEU 69 Cb 0.72 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1t12 h LEU 69 CO 0.04 -0.40 0.10 1.55 0.09 0.00 0.00 178.44 179.82 1t12 h PRO 70 N -0.41 0.00 0.00 1.13 0.13 -1.81 0.52 132.00 131.55 1t12 h PRO 70 Ca 0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 1t12 h PRO 70 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1t12 h PRO 70 CO -0.47 0.00 -0.40 1.03 -0.23 0.00 0.00 178.00 177.93 1t12 h SER 71 N 0.00 0.00 -0.16 1.44 0.87 -0.94 -3.15 113.55 111.61 1t12 h SER 71 Ca 0.02 -0.55 -0.04 0.00 -1.23 0.00 0.00 61.79 59.99 1t12 h SER 71 Cb 0.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1t12 h SER 71 CO -0.00 1.00 -0.06 0.74 -0.53 0.00 0.00 176.83 177.98 1t12 h THR 72 N -1.00 1.30 -1.39 2.23 2.02 -0.41 -2.78 112.91 112.88 1t12 h THR 72 Ca -0.09 -1.07 -0.75 0.00 0.77 0.00 0.00 66.41 65.27 1t12 h THR 72 Cb 0.82 1.67 -0.15 0.00 -1.74 0.00 0.00 68.15 68.75 1t12 h THR 72 CO -0.06 0.32 2.11 0.00 0.37 0.00 0.00 175.52 178.26 1t12 n GLY 74 N 2.09 -0.36 3.08 0.00 0.00 -1.05 -4.62 105.19 104.33 1t12 n GLY 74 Ca 0.50 0.94 -0.08 0.00 0.00 0.00 0.00 46.02 47.38 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 6.95 0.18 -1.57 1.61 -7.23 -1.20 -5.05 120.40 114.08 1t12 s VAL 75 Ca 1.08 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 59.69 1t12 s VAL 75 Cb -1.05 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1t12 s VAL 75 CO 0.42 -0.81 2.79 -0.46 -0.31 0.00 0.00 175.10 176.73 1t12 n ASN 76 N 0.52 7.90 -4.62 4.85 6.94 -1.26 -4.92 115.26 124.68 1t12 n ASN 76 Ca -0.17 -2.67 -0.41 0.00 -0.02 0.00 0.00 54.58 51.31 1t12 n ASN 76 Cb 0.59 -1.56 -0.06 0.00 -2.36 0.00 0.00 39.78 36.39 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 2.03 4.94 -0.72 1.53 -4.36 -1.26 -4.96 121.20 118.41 1t12 s ILE 77 Ca 0.65 1.09 -0.07 0.00 -0.26 0.00 0.00 60.65 62.05 1t12 s ILE 77 Cb 0.17 -3.98 -0.14 0.00 1.25 0.00 0.00 42.46 39.76 1t12 s ILE 77 CO -0.07 -0.05 3.22 -0.81 0.24 0.00 0.00 174.94 177.47 1t12 n PRO 78 N 5.82 2.84 -3.64 0.37 -0.04 -1.26 -4.75 135.00 134.34 1t12 n PRO 78 Ca 0.00 -1.74 -0.03 0.00 -0.04 0.00 0.00 63.50 61.69 1t12 n PRO 78 Cb 0.49 -2.34 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 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 0.98 -0.39 0.08 0.54 1.13 -1.26 -4.82 117.35 113.60 1t12 s TYR 79 Ca 0.66 0.83 -0.28 0.00 -1.41 0.00 0.00 57.07 56.88 1t12 s TYR 79 Cb 0.27 0.31 -0.06 0.00 -1.10 0.00 0.00 41.96 41.38 1t12 s TYR 79 CO -0.05 -0.19 0.87 0.15 -2.51 0.00 0.00 175.55 173.81 1t12 s LYS 80 N 0.89 4.60 -0.67 -3.49 3.01 -1.26 -4.95 119.74 117.87 1t12 s LYS 80 Ca -0.04 1.26 -0.27 0.00 -1.01 0.00 0.00 55.97 55.91 1t12 s LYS 80 Cb -0.04 -3.37 0.02 0.00 -1.01 0.00 0.00 37.83 33.42 1t12 s LYS 80 CO -0.12 0.24 1.43 0.42 0.51 0.00 0.00 175.35 177.83 1t12 s ILE 81 N 0.00 3.67 -0.08 2.17 1.01 -1.26 -4.87 121.20 121.84 1t12 s ILE 81 Ca 0.43 0.44 -0.19 0.00 0.00 0.00 0.00 60.65 61.33 1t12 s ILE 81 Cb -0.22 -4.59 0.04 0.00 0.01 0.00 0.00 42.46 37.70 1t12 s ILE 81 CO 0.26 -1.48 0.44 -0.44 0.00 0.00 0.00 174.94 173.73 1t12 s SER 82 N 4.82 -0.39 0.33 3.58 0.01 -1.26 -3.78 113.70 117.00 1t12 s SER 82 Ca 0.46 0.51 0.26 0.00 1.31 0.00 0.00 55.95 58.49 1t12 s SER 82 Cb -0.10 0.58 1.12 0.00 0.21 0.00 0.00 66.02 67.84 1t12 s SER 82 CO 0.19 -0.39 1.77 1.55 0.41 0.00 0.00 173.24 176.77 1t12 h PRO 83 N 4.19 0.00 -0.09 12.44 0.13 -1.88 -3.06 132.00 143.73 1t12 h PRO 83 Ca -0.28 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.73 1t12 h PRO 83 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1t12 h PRO 83 CO 0.33 0.00 -0.41 1.03 -0.23 0.00 0.00 178.00 178.72 1t12 h SER 84 N 0.00 0.52 -4.24 1.44 0.87 -1.96 -3.46 113.55 106.72 1t12 h SER 84 Ca 0.00 -0.64 -0.50 0.00 -1.23 0.00 0.00 61.79 59.42 1t12 h SER 84 Cb 0.32 -0.15 0.09 0.00 -0.44 0.00 0.00 62.40 62.21 1t12 h SER 84 CO 0.00 1.08 0.37 0.28 -0.53 0.00 0.00 176.83 178.02 1t12 s THR 85 N -3.67 3.68 0.10 2.23 -1.32 -1.16 -5.07 115.64 110.43 1t12 s THR 85 Ca -0.13 0.70 0.10 0.00 -1.21 0.00 0.00 61.69 61.15 1t12 s THR 85 Cb 0.05 -3.27 -0.04 0.00 -1.51 0.00 0.00 72.50 67.73 1t12 s THR 85 CO 0.80 -0.56 -0.25 -1.81 -2.21 0.00 0.00 174.62 170.59 1t12 s ASP 86 N -3.03 3.10 -0.33 8.08 1.11 -1.26 -4.88 116.67 119.46 1t12 s ASP 86 Ca 0.63 -0.69 0.08 0.00 0.18 0.00 0.00 52.55 52.75 1t12 s ASP 86 Cb -0.17 -0.22 0.58 0.00 1.07 0.00 0.00 42.92 44.18 1t12 s ASP 86 CO 0.44 0.17 1.62 0.00 1.18 0.00 0.00 175.17 178.58 1t12 h SER 88 N 1.25 0.44 -2.29 0.00 4.64 -1.96 -3.24 113.55 112.38 1t12 h SER 88 Ca 0.32 -0.42 -0.64 0.00 -0.47 0.00 0.00 61.79 60.58 1t12 h SER 88 Cb 2.04 -0.12 -0.38 0.00 -0.31 0.00 0.00 62.40 63.63 1t12 h SER 88 CO 0.60 0.76 -0.25 0.29 -0.87 0.00 0.00 176.83 177.36 1t12 n LYS 89 N -4.56 3.66 -1.62 4.77 4.01 -1.26 -5.08 118.16 118.08 1t12 n LYS 89 Ca -0.05 -4.80 -0.35 0.00 -0.51 0.00 0.00 58.31 52.60 1t12 n LYS 89 Cb 0.33 -2.30 0.08 0.00 -0.51 0.00 0.00 35.03 32.63 1t12 n LYS 89 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1t12 s VAL 90 N -4.16 2.30 -2.27 -0.18 0.11 -1.23 -5.13 120.40 109.84 1t12 s VAL 90 Ca 0.45 0.16 0.30 0.00 -2.93 0.00 0.00 61.98 59.96 1t12 s VAL 90 Cb 0.24 -2.87 0.71 0.00 -1.53 0.00 0.00 36.38 32.93 1t12 s VAL 90 CO -0.11 -0.06 1.96 1.67 -3.33 0.00 0.00 175.10 175.23