#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 4.61 -0.24 0.00 -5.25 -1.26 -5.01 121.20 114.05 1t12 s ILE 2 Ca 0.00 1.90 -0.26 0.00 -0.99 0.00 0.00 60.65 61.30 1t12 s ILE 2 Cb 0.00 -4.24 0.09 0.00 2.95 0.00 0.00 42.46 41.25 1t12 s ILE 2 CO 0.00 0.32 0.82 -0.89 -1.79 0.00 0.00 174.94 173.41 1t12 s THR 3 N 0.05 0.00 0.49 8.37 2.01 -1.26 -5.04 115.64 120.25 1t12 s THR 3 Ca 0.44 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.62 1t12 s THR 3 Cb -0.22 -1.00 0.33 0.00 0.01 0.00 0.00 72.50 71.62 1t12 s THR 3 CO 0.27 0.00 2.03 0.00 -0.69 0.00 0.00 174.62 176.23 1t12 h GLY 5 N 0.18 0.40 2.00 0.00 0.00 -1.99 0.15 103.07 103.82 1t12 h GLY 5 Ca 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 1t12 h GLY 5 CO -0.03 -0.08 -0.22 0.06 0.00 0.00 0.00 176.54 176.27 1t12 h GLN 6 N 0.12 0.00 0.00 4.80 3.07 -1.81 -0.19 115.11 121.10 1t12 h GLN 6 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.93 1t12 h GLN 6 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1t12 h GLN 6 CO -0.31 0.22 -0.00 0.28 0.09 0.00 0.00 178.83 179.11 1t12 h VAL 7 N 0.00 1.40 -0.49 1.86 2.07 -1.14 -1.39 116.25 118.56 1t12 h VAL 7 Ca -0.00 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1t12 h VAL 7 Cb 0.39 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1t12 h VAL 7 CO 0.03 0.31 0.31 0.74 0.02 0.00 0.00 177.57 178.98 1t12 h THR 8 N -0.52 1.09 -0.30 2.57 2.02 -0.41 0.64 112.91 118.01 1t12 h THR 8 Ca -0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1t12 h THR 8 Cb 0.51 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1t12 h THR 8 CO 0.00 0.11 0.13 0.77 0.37 0.00 0.00 175.52 176.91 1t12 h SER 9 N 0.63 0.40 -0.86 4.18 4.64 -1.08 -1.61 113.55 119.84 1t12 h SER 9 Ca 0.19 -0.15 0.08 0.00 -0.47 0.00 0.00 61.79 61.44 1t12 h SER 9 Cb -0.04 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 61.88 1t12 h SER 9 CO -0.06 0.44 0.52 0.78 -0.87 0.00 0.00 176.83 177.64 1t12 h ASN 10 N 0.34 0.79 -0.37 4.97 2.35 -0.84 -1.60 115.58 121.22 1t12 h ASN 10 Ca 0.10 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1t12 h ASN 10 Cb 0.15 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.32 1t12 h ASN 10 CO -0.01 0.48 0.16 0.18 -1.65 0.00 0.00 177.43 176.59 1t12 n LEU 11 N -4.67 4.03 0.09 1.61 4.32 0.18 -4.53 117.00 118.04 1t12 n LEU 11 Ca 0.14 -2.08 -0.12 0.00 -0.02 0.00 0.00 56.01 53.92 1t12 n LEU 11 Cb 0.23 -0.63 -0.05 0.00 -1.62 0.00 0.00 43.42 41.36 1t12 n LEU 11 CO 0.29 0.60 0.74 0.00 -1.22 0.00 0.00 177.39 177.80 1t12 h ALA 12 N 2.21 -0.29 0.00 -1.18 0.00 -0.35 -0.70 119.26 118.95 1t12 h ALA 12 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1t12 h ALA 12 Cb 1.56 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1t12 h ALA 12 CO 0.38 -0.70 -0.49 -1.35 0.00 0.00 0.00 179.25 177.09 1t12 h PRO 13 N -0.34 0.00 0.00 0.00 0.11 -1.85 -2.39 132.00 127.52 1t12 h PRO 13 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1t12 h PRO 13 Cb 0.38 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1t12 h PRO 13 CO -0.12 0.49 -0.07 0.00 -0.21 0.00 0.00 178.00 178.09 1t12 h LEU 15 N 0.00 0.90 -0.31 0.00 3.38 -0.61 0.73 115.31 119.39 1t12 h LEU 15 Ca -0.00 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 1t12 h LEU 15 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1t12 h LEU 15 CO 0.01 0.47 -0.85 0.00 0.09 0.00 0.00 178.44 178.16 1t12 h ALA 16 N 1.54 0.54 -0.36 1.53 0.00 -1.50 -3.05 119.26 117.96 1t12 h ALA 16 Ca 0.49 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1t12 h ALA 16 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1t12 h ALA 16 CO -0.27 0.88 -0.09 -0.92 0.00 0.00 0.00 179.25 178.85 1t12 h TYR 17 N 0.13 0.66 -0.90 0.00 3.20 -0.74 -2.53 116.97 116.80 1t12 h TYR 17 Ca -0.04 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 61.78 1t12 h TYR 17 Cb 1.47 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.50 1t12 h TYR 17 CO 0.03 0.69 0.59 -0.07 -1.64 0.00 0.00 178.16 177.76 1t12 h LEU 18 N 0.57 0.93 0.00 2.82 3.38 0.50 0.37 115.31 123.87 1t12 h LEU 18 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1t12 h LEU 18 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1t12 h LEU 18 CO 0.03 0.61 0.00 0.54 0.09 0.00 0.00 178.44 179.71 1t12 n ARG 19 N -4.47 0.33 -3.82 1.13 1.74 -1.03 -0.93 116.66 109.61 1t12 n ARG 19 Ca 0.13 0.06 -0.26 0.00 -0.77 0.00 0.00 57.85 57.01 1t12 n ARG 19 Cb 0.16 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1t12 n ARG 19 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1t12 n ASN 20 N -1.10 -3.07 0.00 0.55 5.15 0.13 -4.74 115.26 112.19 1t12 n ASN 20 Ca 0.09 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 1t12 n ASN 20 Cb 0.06 -3.93 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 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 -4.50 0.00 -3.94 -0.44 5.66 -1.17 -5.07 114.28 104.81 1t12 n THR 21 Ca -0.12 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.61 1t12 n THR 21 Cb 0.60 -0.36 -0.03 0.00 -1.55 0.00 0.00 70.33 68.99 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 -4.39 1.78 0.32 1.09 0.00 -0.98 -4.99 107.32 100.14 1t12 s GLY 22 Ca 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 44.72 43.44 1t12 s GLY 22 CO 0.00 -1.00 1.06 2.56 0.00 0.00 0.00 173.10 175.72 1t12 s PRO 23 N -3.13 4.48 0.32 2.90 0.04 -1.26 -2.78 135.00 135.57 1t12 s PRO 23 Ca 0.35 1.65 0.10 0.00 0.04 0.00 0.00 61.00 63.14 1t12 s PRO 23 Cb -0.11 -2.95 0.53 0.00 0.04 0.00 0.00 34.50 32.01 1t12 s PRO 23 CO 0.28 0.11 1.72 1.37 0.04 0.00 0.00 177.00 180.53 1t12 h LEU 24 N 3.34 0.05 0.00 -3.56 -0.00 -1.94 -3.43 115.31 109.78 1t12 h LEU 24 Ca -0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1t12 h LEU 24 Cb 1.21 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1t12 h LEU 24 CO 0.65 0.52 0.00 0.61 -0.00 0.00 0.00 178.44 180.22 1t12 n GLY 25 N -0.15 3.97 1.59 0.17 0.00 -1.26 -1.61 105.19 107.90 1t12 n GLY 25 Ca -0.02 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 3.97 -0.14 1.61 1.74 -1.26 -4.42 116.66 132.16 1t12 n ARG 26 Ca 0.00 -2.43 0.18 0.00 -0.77 0.00 0.00 57.85 54.83 1t12 n ARG 26 Cb 0.00 -2.09 0.57 0.00 -1.02 0.00 0.00 32.46 29.92 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 0.59 0.92 0.96 0.00 0.00 -1.38 0.46 103.07 104.62 1t12 h GLY 29 Ca 0.60 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 1t12 h GLY 29 CO -0.39 0.12 0.14 -1.33 0.00 0.00 0.00 176.54 175.08 1t12 h GLY 30 N 0.61 0.77 0.86 4.60 0.00 -0.48 0.31 103.07 109.74 1t12 h GLY 30 Ca 0.29 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1t12 h GLY 30 CO -0.20 0.43 -0.12 -2.08 0.00 0.00 0.00 176.54 174.58 1t12 h VAL 31 N 0.61 0.74 -0.80 4.60 2.07 -0.53 -1.93 116.25 121.00 1t12 h VAL 31 Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 1t12 h VAL 31 Cb 0.28 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 1t12 h VAL 31 CO -0.00 0.00 0.38 0.50 0.02 0.00 0.00 177.57 178.47 1t12 h LYS 32 N -0.26 0.55 -0.50 1.57 3.64 0.18 -0.85 116.57 120.89 1t12 h LYS 32 Ca 0.00 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1t12 h LYS 32 Cb 0.25 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1t12 h LYS 32 CO -0.03 0.36 0.19 0.00 -2.27 0.00 0.00 179.45 177.70 1t12 h ALA 33 N 1.54 0.61 -0.87 5.00 0.00 0.35 -1.65 119.26 124.24 1t12 h ALA 33 Ca 0.43 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1t12 h ALA 33 Cb 0.61 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1t12 h ALA 33 CO -0.36 -0.20 0.58 -0.07 0.00 0.00 0.00 179.25 179.19 1t12 h LEU 34 N 0.37 1.01 -0.83 0.00 3.38 -0.52 -2.66 115.31 116.05 1t12 h LEU 34 Ca 0.24 -0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.38 1t12 h LEU 34 Cb 0.24 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 40.61 1t12 h LEU 34 CO -0.23 0.73 0.22 0.58 0.09 0.00 0.00 178.44 179.83 1t12 h VAL 35 N 1.19 0.40 -0.86 1.22 2.07 -0.78 1.34 116.25 120.82 1t12 h VAL 35 Ca 0.32 -0.08 0.13 0.00 0.82 0.00 0.00 66.70 67.89 1t12 h VAL 35 Cb -0.14 0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1t12 h VAL 35 CO -0.07 0.04 0.47 0.78 0.02 0.00 0.00 177.57 178.81 1t12 h ASN 36 N 0.24 0.61 -1.88 0.57 2.35 -1.47 0.14 115.58 116.14 1t12 h ASN 36 Ca 0.50 0.08 -0.72 0.00 -0.55 0.00 0.00 56.30 55.60 1t12 h ASN 36 Cb 0.95 -0.03 -0.31 0.00 0.05 0.00 0.00 38.32 38.98 1t12 h ASN 36 CO -0.60 0.29 0.61 -1.20 -1.65 0.00 0.00 177.43 174.87 1t12 n SER 37 N -4.82 6.81 -2.56 5.81 7.64 0.43 -4.46 113.62 122.48 1t12 n SER 37 Ca 0.16 -3.81 -0.01 0.00 1.01 0.00 0.00 58.87 56.22 1t12 n SER 37 Cb 0.39 -0.91 0.08 0.00 -1.01 0.00 0.00 64.21 62.76 1t12 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t12 n ALA 38 N -0.52 2.83 -0.97 -0.43 0.00 0.50 -4.53 120.51 117.39 1t12 n ALA 38 Ca 0.50 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1t12 n ALA 38 Cb 0.34 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.01 0.09 -1.88 0.00 5.12 -1.23 -4.11 116.66 113.64 1t12 n ARG 39 Ca -0.09 -0.50 -0.33 0.00 -1.93 0.00 0.00 57.85 55.00 1t12 n ARG 39 Cb 0.85 -0.52 0.04 0.00 -1.16 0.00 0.00 32.46 31.68 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 -0.01 3.17 0.00 0.55 -1.04 -1.26 -4.91 114.28 110.78 1t12 n THR 40 Ca 0.00 -4.02 0.00 0.00 -2.04 0.00 0.00 64.05 57.99 1t12 n THR 40 Cb 0.48 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 -0.67 0.00 0.14 12.58 -1.04 -1.26 -4.12 114.28 119.91 1t12 n THR 41 Ca 0.52 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.41 1t12 n THR 41 Cb 0.57 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.39 -0.86 -2.82 4.81 -1.93 0.15 114.58 113.54 1t12 h GLU 42 Ca 0.00 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1t12 h GLU 42 Cb 0.00 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.39 1t12 h GLU 42 CO 0.00 -0.05 0.48 0.38 -0.73 0.00 0.00 179.01 179.09 1t12 h ASP 43 N -0.88 0.66 -0.36 1.04 3.04 -1.89 0.21 116.42 118.24 1t12 h ASP 43 Ca -0.04 0.06 0.06 0.00 -3.24 0.00 0.00 57.03 53.88 1t12 h ASP 43 Cb 0.52 -0.06 -0.06 0.00 -1.04 0.00 0.00 39.33 38.69 1t12 h ASP 43 CO 0.07 0.34 0.01 -0.09 -2.04 0.00 0.00 179.24 177.53 1t12 h ARG 44 N 0.76 0.11 -0.23 4.15 2.43 -1.68 -0.01 114.38 119.92 1t12 h ARG 44 Ca 0.44 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1t12 h ARG 44 Cb 0.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1t12 h ARG 44 CO -0.29 0.08 0.14 1.96 -1.51 0.00 0.00 179.97 180.35 1t12 h GLN 45 N 0.12 0.31 -0.48 0.20 4.20 0.22 0.11 115.11 119.79 1t12 h GLN 45 Ca 0.18 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1t12 h GLN 45 Cb 0.24 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1t12 h GLN 45 CO -0.28 0.23 0.27 0.82 -0.67 0.00 0.00 178.83 179.20 1t12 h ILE 46 N 0.29 1.03 0.00 2.54 1.08 -0.62 0.18 117.51 122.00 1t12 h ILE 46 Ca 0.08 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1t12 h ILE 46 Cb 0.00 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 1t12 h ILE 46 CO -0.02 0.10 -0.00 0.00 -0.69 0.00 0.00 178.15 177.54 1t12 h ALA 47 N 1.22 -0.00 -0.67 1.87 0.00 -0.59 0.33 119.26 121.42 1t12 h ALA 47 Ca 0.20 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1t12 h ALA 47 Cb 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1t12 h ALA 47 CO -0.10 -0.40 0.02 0.00 0.00 0.00 0.00 179.25 178.77 1t12 h THR 49 N 0.13 1.33 -0.66 0.00 2.02 -0.15 0.15 112.91 115.72 1t12 h THR 49 Ca 0.36 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.51 1t12 h THR 49 Cb 0.60 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1t12 h THR 49 CO -0.57 0.29 0.43 0.00 0.37 0.00 0.00 175.52 176.04 1t12 h LEU 51 N 0.87 0.05 -0.70 0.00 3.38 -0.20 0.35 115.31 119.06 1t12 h LEU 51 Ca 0.25 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.21 1t12 h LEU 51 Cb -0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 1t12 h LEU 51 CO -0.07 0.20 0.07 0.50 0.09 0.00 0.00 178.44 179.22 1t12 h LYS 52 N -0.09 0.16 -0.13 1.13 3.64 -0.13 -0.01 116.57 121.14 1t12 h LYS 52 Ca 0.01 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1t12 h LYS 52 Cb 0.16 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1t12 h LYS 52 CO -0.00 0.11 -0.67 0.66 -2.27 0.00 0.00 179.45 177.28 1t12 h SER 53 N 0.17 0.60 -0.24 4.20 4.64 -0.62 0.35 113.55 122.64 1t12 h SER 53 Ca 0.38 -0.36 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1t12 h SER 53 Cb 0.65 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.50 1t12 h SER 53 CO -0.56 1.10 -0.13 0.00 -0.87 0.00 0.00 176.83 176.37 1t12 h ALA 54 N 0.90 0.06 -0.18 5.18 0.00 0.15 -2.53 119.26 122.84 1t12 h ALA 54 Ca -0.02 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1t12 h ALA 54 Cb 1.24 0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.34 1t12 h ALA 54 CO 0.12 -0.54 -0.73 0.00 0.00 0.00 0.00 179.25 178.10 1t12 h ALA 55 N 1.09 0.34 -0.37 0.00 0.00 -1.10 -3.37 119.26 115.84 1t12 h ALA 55 Ca 0.13 -0.58 -0.63 0.00 0.00 0.00 0.00 54.91 53.83 1t12 h ALA 55 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1t12 h ALA 55 CO -0.31 0.68 2.34 0.41 0.00 0.00 0.00 179.25 182.37 1t12 n GLY 56 N 0.64 2.92 0.00 0.00 0.00 0.12 -3.29 105.19 105.58 1t12 n GLY 56 Ca -0.07 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 8.48 0.00 -1.65 4.61 0.00 -1.25 -4.72 120.51 125.99 1t12 n ALA 57 Ca 0.49 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 1t12 n ALA 57 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 2.17 0.04 0.00 5.41 -1.21 -4.95 119.36 120.83 1t12 n ILE 58 Ca 0.00 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.13 1t12 n ILE 58 Cb 0.00 -1.31 -0.08 0.00 -0.71 0.00 0.00 39.64 37.53 1t12 n ILE 58 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1t12 h SER 59 N 2.09 -0.15 -0.38 4.38 0.87 -1.99 -3.31 113.55 115.06 1t12 h SER 59 Ca -0.44 -0.41 -0.22 0.00 -1.23 0.00 0.00 61.79 59.49 1t12 h SER 59 Cb 1.31 0.04 -0.12 0.00 -0.44 0.00 0.00 62.40 63.19 1t12 h SER 59 CO 0.60 0.41 0.28 0.61 -0.53 0.00 0.00 176.83 178.21 1t12 n GLY 60 N 0.54 3.25 3.73 5.77 0.00 -1.26 -4.96 105.19 112.25 1t12 n GLY 60 Ca -0.08 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.47 2.62 -0.45 -0.61 -1.16 -1.25 -4.37 121.20 114.52 1t12 s ILE 61 Ca 0.23 0.48 -0.17 0.00 -0.51 0.00 0.00 60.65 60.68 1t12 s ILE 61 Cb 0.19 -3.31 0.04 0.00 0.61 0.00 0.00 42.46 39.99 1t12 s ILE 61 CO 0.03 0.05 0.44 0.21 -2.81 0.00 0.00 174.94 172.86 1t12 s ASN 62 N 0.80 6.18 0.25 4.50 2.47 -0.11 -4.97 114.94 124.07 1t12 s ASN 62 Ca 0.65 -0.92 -0.04 0.00 0.42 0.00 0.00 52.86 52.97 1t12 s ASN 62 Cb -0.43 -2.22 0.51 0.00 -1.45 0.00 0.00 41.25 37.66 1t12 s ASN 62 CO 0.37 -0.64 1.66 0.25 -3.72 0.00 0.00 177.10 175.03 1t12 h LEU 63 N 9.03 -0.08 -1.46 3.21 5.85 -1.93 0.21 115.31 130.15 1t12 h LEU 63 Ca -0.27 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.72 1t12 h LEU 63 Cb 1.11 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 1t12 h LEU 63 CO 0.84 -0.10 0.48 1.23 -0.34 0.00 0.00 178.44 180.55 1t12 h GLY 64 N 0.21 0.87 0.53 3.75 0.00 -1.96 0.18 103.07 106.65 1t12 h GLY 64 Ca 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1t12 h GLY 64 CO -0.58 0.14 -0.02 1.70 0.00 0.00 0.00 176.54 177.78 1t12 h LYS 65 N 0.60 -0.05 -0.33 4.80 1.63 -0.91 0.36 116.57 122.66 1t12 h LYS 65 Ca 0.34 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.21 1t12 h LYS 65 Cb 0.52 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.08 1t12 h LYS 65 CO -0.12 0.40 -0.35 0.00 -3.45 0.00 0.00 179.45 175.94 1t12 h ALA 66 N 0.40 -0.28 -0.22 5.00 0.00 -0.78 0.21 119.26 123.59 1t12 h ALA 66 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1t12 h ALA 66 Cb 0.48 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1t12 h ALA 66 CO 0.01 -0.77 0.15 0.00 0.00 0.00 0.00 179.25 178.64 1t12 h ALA 67 N 0.61 1.90 -0.18 0.00 0.00 -0.65 -2.26 119.26 118.68 1t12 h ALA 67 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t12 h ALA 67 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1t12 h ALA 67 CO -0.50 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.24 1t12 n GLY 68 N -1.52 0.02 0.27 0.00 0.00 0.13 -4.39 105.19 99.69 1t12 n GLY 68 Ca 0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1t12 n GLY 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1t12 h LEU 69 N 1.47 0.90 -1.66 0.99 3.38 -0.39 -0.68 115.31 119.33 1t12 h LEU 69 Ca 0.00 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1t12 h LEU 69 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1t12 h LEU 69 CO 0.00 0.98 0.01 -0.65 0.09 0.00 0.00 178.44 178.87 1t12 h PRO 70 N 0.79 0.22 0.14 1.13 0.11 -1.77 0.15 132.00 132.78 1t12 h PRO 70 Ca 0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1t12 h PRO 70 Cb 0.51 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1t12 h PRO 70 CO 0.02 0.24 -0.07 1.03 -0.21 0.00 0.00 178.00 179.01 1t12 h SER 71 N 0.22 -0.16 -0.53 -2.05 0.87 -1.58 -0.00 113.55 110.31 1t12 h SER 71 Ca 0.05 -0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 1t12 h SER 71 Cb 0.14 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1t12 h SER 71 CO 0.00 0.10 0.08 0.74 -0.53 0.00 0.00 176.83 177.22 1t12 h THR 72 N -0.43 1.25 -3.36 2.23 2.02 -0.95 -3.21 112.91 110.45 1t12 h THR 72 Ca -0.02 -0.97 -0.72 0.00 0.77 0.00 0.00 66.41 65.46 1t12 h THR 72 Cb 0.34 0.73 -0.34 0.00 -1.74 0.00 0.00 68.15 67.14 1t12 h THR 72 CO 0.03 0.36 -0.00 0.00 0.37 0.00 0.00 175.52 176.28 1t12 n GLY 74 N 2.40 -0.22 0.00 0.00 0.00 -0.03 -4.42 105.19 102.92 1t12 n GLY 74 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 8.46 0.00 -3.13 1.61 0.24 -1.26 -5.06 118.33 119.19 1t12 n VAL 75 Ca 0.41 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.38 1t12 n VAL 75 Cb 0.46 -0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 32.12 1t12 n VAL 75 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1t12 n ASN 76 N 0.00 5.03 -4.45 -1.34 4.13 -1.26 -5.03 115.26 112.34 1t12 n ASN 76 Ca 0.00 -3.51 -0.33 0.00 1.68 0.00 0.00 54.58 52.42 1t12 n ASN 76 Cb 0.00 -0.87 -0.13 0.00 -1.54 0.00 0.00 39.78 37.24 1t12 n ASN 76 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1t12 s ILE 77 N -3.14 3.39 0.10 2.41 -4.36 -1.26 -4.99 121.20 113.35 1t12 s ILE 77 Ca 0.39 -0.55 -0.06 0.00 -0.26 0.00 0.00 60.65 60.17 1t12 s ILE 77 Cb 0.15 -2.43 -0.23 0.00 1.25 0.00 0.00 42.46 41.20 1t12 s ILE 77 CO -0.01 0.53 1.22 1.55 0.24 0.00 0.00 174.94 178.47 1t12 h PRO 78 N 6.41 0.42 -7.28 0.37 0.13 -1.96 -3.45 132.00 126.64 1t12 h PRO 78 Ca -0.32 -0.53 -0.51 0.00 -0.87 0.00 0.00 66.00 63.77 1t12 h PRO 78 Cb 1.20 0.17 0.11 0.00 0.13 0.00 0.00 31.00 32.60 1t12 h PRO 78 CO 0.57 1.19 0.35 1.52 -0.23 0.00 0.00 178.00 181.40 1t12 s TYR 79 N -3.05 2.79 -0.45 1.56 -0.85 -1.26 -4.96 117.35 111.14 1t12 s TYR 79 Ca -0.06 1.51 0.04 0.00 -0.52 0.00 0.00 57.07 58.04 1t12 s TYR 79 Cb 0.08 -3.02 0.53 0.00 0.38 0.00 0.00 41.96 39.93 1t12 s TYR 79 CO 0.88 -1.52 1.74 0.36 -1.52 0.00 0.00 175.55 175.50 1t12 n LYS 80 N -2.98 2.44 -4.20 -3.49 2.85 -1.26 -4.90 118.16 106.62 1t12 n LYS 80 Ca 0.09 -3.29 -0.36 0.00 -1.05 0.00 0.00 58.31 53.70 1t12 n LYS 80 Cb 0.53 -2.13 -0.02 0.00 -0.65 0.00 0.00 35.03 32.76 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 -1.02 -1.13 -3.79 0.58 5.41 -1.26 -3.65 119.36 114.50 1t12 n ILE 81 Ca 0.52 -0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.88 1t12 n ILE 81 Cb 1.12 -1.77 -0.06 0.00 -0.71 0.00 0.00 39.64 38.21 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 -3.31 6.49 -0.92 4.38 0.01 -1.26 -4.44 113.70 114.65 1t12 s SER 82 Ca 0.72 0.58 -0.17 0.00 1.31 0.00 0.00 55.95 58.39 1t12 s SER 82 Cb -0.39 -2.10 -0.11 0.00 0.21 0.00 0.00 66.02 63.62 1t12 s SER 82 CO 0.92 0.36 2.03 -0.81 0.41 0.00 0.00 173.24 176.15 1t12 n PRO 83 N 1.73 1.86 0.06 12.44 -0.04 -1.26 -3.40 135.00 146.39 1t12 n PRO 83 Ca -0.17 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1t12 n PRO 83 Cb 0.54 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1t12 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1t12 n SER 84 N 6.51 -1.12 -3.82 3.54 2.88 -1.26 -4.88 113.62 115.46 1t12 n SER 84 Ca 0.50 0.29 -0.45 0.00 -1.33 0.00 0.00 58.87 57.87 1t12 n SER 84 Cb 0.34 1.32 -0.12 0.00 -0.75 0.00 0.00 64.21 65.01 1t12 n SER 84 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1t12 n THR 85 N -2.71 0.00 -1.93 2.46 5.66 -1.22 -4.89 114.28 111.65 1t12 n THR 85 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1t12 n THR 85 Cb 0.00 -0.44 0.02 0.00 -1.55 0.00 0.00 70.33 68.36 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 6.48 5.78 -0.29 1.09 2.15 -1.26 -4.90 116.67 125.72 1t12 s ASP 86 Ca 1.12 2.68 0.20 0.00 0.43 0.00 0.00 52.55 56.98 1t12 s ASP 86 Cb -1.22 -2.63 0.49 0.00 -0.30 0.00 0.00 42.92 39.26 1t12 s ASP 86 CO 0.51 -1.22 1.04 0.00 -0.17 0.00 0.00 175.17 175.33 1t12 n SER 88 N -0.36 0.60 -2.64 0.00 3.41 -1.26 -4.53 113.62 108.85 1t12 n SER 88 Ca 0.09 0.29 -0.07 0.00 -0.26 0.00 0.00 58.87 58.92 1t12 n SER 88 Cb 0.81 0.29 0.04 0.00 -0.26 0.00 0.00 64.21 65.09 1t12 n SER 88 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1t12 n LYS 89 N -2.94 2.15 -2.61 4.33 0.00 -1.26 -5.09 118.16 112.74 1t12 n LYS 89 Ca -0.21 -3.66 -0.38 0.00 -0.00 0.00 0.00 58.31 54.05 1t12 n LYS 89 Cb 1.06 -1.75 -0.05 0.00 -0.00 0.00 0.00 35.03 34.30 1t12 n LYS 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1t12 s VAL 90 N -3.98 3.83 -0.48 0.58 1.01 -1.26 -5.24 120.40 114.86 1t12 s VAL 90 Ca 0.33 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.97 1t12 s VAL 90 Cb 0.35 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1t12 s VAL 90 CO -0.02 0.23 0.62 0.00 0.00 0.00 0.00 175.10 175.93