#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n33 s ILE 3 N 0.00 3.33 0.49 4.25 1.09 -1.26 -5.09 121.20 124.01 1n33 s ILE 3 Ca 0.00 -1.40 -0.24 0.00 -1.10 0.00 0.00 60.65 57.91 1n33 s ILE 3 Cb 0.00 -2.96 -0.07 0.00 -1.06 0.00 0.00 42.46 38.37 1n33 s ILE 3 CO 0.00 -0.23 1.38 -0.89 -0.10 0.00 0.00 174.94 175.10 1n33 s THR 4 N 1.29 2.15 0.06 2.92 2.01 -1.26 -4.83 115.64 117.97 1n33 s THR 4 Ca -0.02 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.90 1n33 s THR 4 Cb -0.20 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1n33 s THR 4 CO -0.00 0.01 1.32 0.11 -0.69 0.00 0.00 174.62 175.37 1n33 h LYS 5 N 1.94 -0.48 -0.93 4.92 1.57 -2.00 0.02 116.57 121.62 1n33 h LYS 5 Ca -0.51 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.46 1n33 h LYS 5 Cb 1.28 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.62 1n33 h LYS 5 CO 0.59 -0.32 0.59 1.05 -0.57 0.00 0.00 179.45 180.80 1n33 h GLU 6 N -0.49 0.69 -0.07 3.15 9.09 -1.99 -1.60 114.58 123.37 1n33 h GLU 6 Ca -0.02 -0.04 0.02 0.00 0.05 0.00 0.00 59.36 59.37 1n33 h GLU 6 Cb 0.47 -0.16 -0.04 0.00 -1.65 0.00 0.00 28.75 27.37 1n33 h GLU 6 CO -0.12 0.46 -0.34 0.93 0.05 0.00 0.00 179.01 179.99 1n33 h GLU 7 N 0.71 -0.37 -0.49 1.06 4.39 -1.61 1.20 114.58 119.48 1n33 h GLU 7 Ca 0.48 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.30 1n33 h GLU 7 Cb 0.77 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.41 1n33 h GLU 7 CO -0.24 -0.25 -0.31 -0.22 -1.16 0.00 0.00 179.01 176.84 1n33 h LYS 8 N -0.38 -0.18 -0.14 2.33 3.64 -0.11 -0.99 116.57 120.73 1n33 h LYS 8 Ca 0.02 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1n33 h LYS 8 Cb 0.44 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1n33 h LYS 8 CO -0.27 -0.12 -0.17 0.37 -2.27 0.00 0.00 179.45 176.99 1n33 h GLN 9 N -0.19 -0.21 -1.35 1.90 4.15 -0.49 -0.51 115.11 118.41 1n33 h GLN 9 Ca 0.21 0.01 0.39 0.00 0.77 0.00 0.00 58.65 60.04 1n33 h GLN 9 Cb 0.53 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.19 1n33 h GLN 9 CO -0.60 -0.14 0.94 -0.22 -1.93 0.00 0.00 178.83 176.89 1n33 h LYS 10 N -0.21 0.08 -0.00 1.69 1.63 0.28 0.89 116.57 120.91 1n33 h LYS 10 Ca 0.10 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1n33 h LYS 10 Cb 0.36 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1n33 h LYS 10 CO -0.26 0.05 -0.20 1.33 -3.45 0.00 0.00 179.45 176.92 1n33 n VAL 11 N -4.29 0.00 -0.08 2.00 0.24 -0.22 -3.32 118.33 112.66 1n33 n VAL 11 Ca 0.31 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.34 62.47 1n33 n VAL 11 Cb 1.38 0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.73 1n33 n VAL 11 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1n33 n ILE 12 N -1.07 1.46 0.05 1.34 5.41 0.30 -3.18 119.36 123.67 1n33 n ILE 12 Ca 0.11 0.13 0.21 0.00 1.00 0.00 0.00 62.75 64.21 1n33 n ILE 12 Cb 0.31 -2.31 0.67 0.00 -0.71 0.00 0.00 39.64 37.60 1n33 n ILE 12 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1n33 h GLN 13 N -1.00 0.00 -0.14 0.38 7.50 -1.64 1.92 115.11 122.14 1n33 h GLN 13 Ca -0.09 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 58.86 1n33 h GLN 13 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.33 1n33 h GLN 13 CO -0.05 0.00 -0.73 1.49 -1.50 0.00 0.00 178.83 178.04 1n33 h GLU 14 N 0.00 0.65 0.00 1.46 4.57 -1.69 -3.36 114.58 116.21 1n33 h GLU 14 Ca 0.24 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1n33 h GLU 14 Cb 1.49 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1n33 h GLU 14 CO -0.00 1.13 -0.99 1.19 -1.18 0.00 0.00 179.01 179.16 1n33 n PHE 15 N -3.91 0.00 -1.38 0.92 3.01 0.54 -5.04 117.46 111.60 1n33 n PHE 15 Ca -0.06 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.02 1n33 n PHE 15 Cb 0.71 -0.12 0.04 0.00 -0.01 0.00 0.00 39.48 40.10 1n33 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n33 n ALA 16 N -1.56 -1.71 0.55 4.37 0.00 0.49 -4.59 120.51 118.06 1n33 n ALA 16 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1n33 n ALA 16 Cb 0.24 -1.73 0.24 0.00 0.00 0.00 0.00 19.45 18.20 1n33 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n33 n ARG 17 N 0.22 2.10 0.00 0.00 5.12 -1.26 -4.90 116.66 117.94 1n33 n ARG 17 Ca 0.10 -1.70 0.00 0.00 -1.93 0.00 0.00 57.85 54.32 1n33 n ARG 17 Cb 0.48 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 1n33 n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 1n33 n PHE 18 N 0.89 0.00 -1.62 -1.55 1.16 -1.26 -5.00 117.46 110.08 1n33 n PHE 18 Ca 0.17 0.00 -0.54 0.00 -1.87 0.00 0.00 57.45 55.20 1n33 n PHE 18 Cb 0.42 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.22 1n33 n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1n33 n PRO 19 N -0.87 1.05 0.00 3.97 -0.02 -1.26 -0.55 135.00 137.32 1n33 n PRO 19 Ca 0.00 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1n33 n PRO 19 Cb 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1n33 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n33 n GLY 20 N 2.90 0.15 3.55 -1.23 0.00 -1.26 -5.03 105.19 104.27 1n33 n GLY 20 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1n33 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n33 s ASP 21 N -2.02 5.26 -0.16 1.61 3.68 0.29 -4.78 116.67 120.54 1n33 s ASP 21 Ca 0.00 0.09 -0.12 0.00 2.13 0.00 0.00 52.55 54.64 1n33 s ASP 21 Cb 0.00 -2.54 -0.06 0.00 -1.45 0.00 0.00 42.92 38.87 1n33 s ASP 21 CO 0.00 -2.45 -0.14 0.35 0.13 0.00 0.00 175.17 173.06 1n33 n THR 22 N 7.35 1.45 -1.47 1.71 -2.24 -1.26 -4.49 114.28 115.32 1n33 n THR 22 Ca 0.25 0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.94 1n33 n THR 22 Cb 0.51 -2.32 0.11 0.00 -2.10 0.00 0.00 70.33 66.54 1n33 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n33 n GLY 23 N 1.56 5.50 3.79 3.38 0.00 -1.26 -4.65 105.19 113.50 1n33 n GLY 23 Ca -0.13 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 1n33 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n33 s SER 24 N -2.22 6.31 0.12 1.61 1.04 -1.26 -4.76 113.70 114.54 1n33 s SER 24 Ca 0.56 1.99 -0.24 0.00 0.48 0.00 0.00 55.95 58.75 1n33 s SER 24 Cb 0.46 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.96 1n33 s SER 24 CO 0.02 -0.80 1.41 0.74 0.98 0.00 0.00 173.24 175.59 1n33 h THR 25 N 1.61 0.00 -0.76 2.02 2.02 -2.00 0.05 112.91 115.86 1n33 h THR 25 Ca -0.49 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.77 1n33 h THR 25 Cb 1.23 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.54 1n33 h THR 25 CO 0.59 0.00 -0.40 -0.62 0.37 0.00 0.00 175.52 175.46 1n33 n GLU 26 N -4.72 -0.29 0.11 6.66 4.71 -1.26 -1.22 120.64 124.63 1n33 n GLU 26 Ca 0.01 1.15 -0.12 0.00 -0.01 0.00 0.00 57.16 58.19 1n33 n GLU 26 Cb 0.21 -1.70 -0.07 0.00 -1.01 0.00 0.00 31.44 28.87 1n33 n GLU 26 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1n33 h VAL 27 N 0.00 0.00 -0.84 2.62 2.07 -1.26 -0.47 116.25 118.36 1n33 h VAL 27 Ca 0.16 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.82 1n33 h VAL 27 Cb 0.35 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.98 1n33 h VAL 27 CO -0.72 0.00 -0.35 1.56 0.02 0.00 0.00 177.57 178.07 1n33 h GLN 28 N -0.58 -0.05 -0.25 1.57 4.20 -0.48 1.78 115.11 121.29 1n33 h GLN 28 Ca -0.01 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1n33 h GLN 28 Cb 0.56 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1n33 h GLN 28 CO -0.18 -0.04 0.24 0.28 -0.67 0.00 0.00 178.83 178.47 1n33 h VAL 29 N -0.06 0.54 0.32 -0.54 2.07 -0.32 -0.12 116.25 118.14 1n33 h VAL 29 Ca 0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 1n33 h VAL 29 Cb 0.59 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1n33 h VAL 29 CO -0.87 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 176.56 1n33 h ALA 30 N 1.75 -0.43 -0.42 1.67 0.00 0.42 -2.73 119.26 119.52 1n33 h ALA 30 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n33 h ALA 30 Cb 0.60 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1n33 h ALA 30 CO -0.00 -0.45 -0.55 -0.07 0.00 0.00 0.00 179.25 178.18 1n33 h LEU 31 N -1.03 -1.85 -1.23 0.00 4.07 0.67 0.62 115.31 116.56 1n33 h LEU 31 Ca -0.04 0.25 0.20 0.00 0.08 0.00 0.00 57.88 58.36 1n33 h LEU 31 Cb 0.46 0.76 -0.09 0.00 1.08 0.00 0.00 40.66 42.88 1n33 h LEU 31 CO 0.07 -0.40 0.61 -0.07 -1.08 0.00 0.00 178.44 177.58 1n33 h LEU 32 N -0.39 0.63 -0.75 1.67 3.38 -1.24 0.60 115.31 119.22 1n33 h LEU 32 Ca 0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1n33 h LEU 32 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1n33 h LEU 32 CO -0.60 0.24 0.00 0.74 0.09 0.00 0.00 178.44 178.90 1n33 h THR 33 N 0.62 0.00 0.00 0.22 2.02 -0.59 0.57 112.91 115.75 1n33 h THR 33 Ca 0.53 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1n33 h THR 33 Cb 1.02 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1n33 h THR 33 CO -0.29 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 175.69 1n33 h LEU 34 N 0.00 0.00 -0.79 2.58 6.46 0.12 -3.02 115.31 120.66 1n33 h LEU 34 Ca 0.00 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.93 1n33 h LEU 34 Cb 0.42 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.24 1n33 h LEU 34 CO 0.00 0.55 0.25 0.03 -0.62 0.00 0.00 178.44 178.65 1n33 h ARG 35 N -0.93 0.32 0.81 1.25 3.08 -0.99 -0.46 114.38 117.46 1n33 h ARG 35 Ca 0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1n33 h ARG 35 Cb 0.16 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1n33 h ARG 35 CO 0.00 0.21 -0.39 0.82 -1.07 0.00 0.00 179.97 179.55 1n33 h ILE 36 N 0.33 0.00 -0.99 2.04 2.04 -0.01 -1.66 117.51 119.27 1n33 h ILE 36 Ca 0.45 -0.02 0.16 0.00 1.00 0.00 0.00 64.86 66.46 1n33 h ILE 36 Cb 0.79 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.71 1n33 h ILE 36 CO -0.50 0.00 -0.36 0.59 0.00 0.00 0.00 178.15 177.88 1n33 n ASN 37 N -4.96 -0.59 0.00 1.72 5.03 -0.63 0.44 115.26 116.27 1n33 n ASN 37 Ca -0.13 1.72 0.00 0.00 0.87 0.00 0.00 54.58 57.03 1n33 n ASN 37 Cb 0.43 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1n33 n ASN 37 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1n33 n ARG 38 N -5.48 0.00 -0.33 3.52 5.12 -0.28 -1.08 116.66 118.13 1n33 n ARG 38 Ca 0.11 0.59 0.10 0.00 -1.93 0.00 0.00 57.85 56.72 1n33 n ARG 38 Cb 0.41 -1.43 0.22 0.00 -1.16 0.00 0.00 32.46 30.50 1n33 n ARG 38 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1n33 h LEU 39 N 0.00 -0.62 0.25 0.55 6.46 -0.46 0.32 115.31 121.81 1n33 h LEU 39 Ca 0.00 0.27 0.01 0.00 -0.12 0.00 0.00 57.88 58.04 1n33 h LEU 39 Cb 0.00 0.51 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1n33 h LEU 39 CO 0.00 -0.32 -0.38 -1.28 -0.62 0.00 0.00 178.44 175.84 1n33 h SER 40 N 0.02 -1.07 -0.75 1.25 0.87 0.20 -0.16 113.55 113.91 1n33 h SER 40 Ca 0.53 0.11 0.14 0.00 -1.23 0.00 0.00 61.79 61.33 1n33 h SER 40 Cb 0.98 0.38 -0.05 0.00 -0.44 0.00 0.00 62.40 63.27 1n33 h SER 40 CO -0.92 -0.49 0.50 -0.08 -0.53 0.00 0.00 176.83 175.30 1n33 h GLU 41 N -0.70 0.45 -0.27 2.24 4.81 0.12 -1.54 114.58 119.69 1n33 h GLU 41 Ca -0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1n33 h GLU 41 Cb 0.67 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1n33 h GLU 41 CO -0.14 0.30 0.08 1.25 -0.73 0.00 0.00 179.01 179.77 1n33 h HIS 42 N 0.47 0.44 0.00 0.92 2.76 0.32 -2.65 115.15 117.40 1n33 h HIS 42 Ca 0.36 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1n33 h HIS 42 Cb 0.76 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 1n33 h HIS 42 CO -0.00 0.47 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.02 1n33 h LEU 43 N 0.28 0.00 -0.62 0.26 3.38 -0.04 -1.78 115.31 116.78 1n33 h LEU 43 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1n33 h LEU 43 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1n33 h LEU 43 CO -0.00 0.02 0.40 0.50 0.09 0.00 0.00 178.44 179.44 1n33 h LYS 44 N 0.00 0.83 0.00 1.13 3.64 -1.20 -2.97 116.57 117.99 1n33 h LYS 44 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1n33 h LYS 44 Cb 0.06 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1n33 h LYS 44 CO 0.00 0.57 0.00 0.28 -2.27 0.00 0.00 179.45 178.03 1n33 n VAL 45 N -4.63 0.00 -2.42 2.00 0.31 -0.71 -4.35 118.33 108.52 1n33 n VAL 45 Ca 0.05 0.77 -0.38 0.00 -0.01 0.00 0.00 64.34 64.76 1n33 n VAL 45 Cb 0.03 -1.57 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 1n33 n VAL 45 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1n33 s HIS 46 N -1.38 2.44 0.03 3.52 3.76 -0.98 -4.78 115.29 117.90 1n33 s HIS 46 Ca 0.00 -0.73 0.18 0.00 -0.15 0.00 0.00 55.06 54.36 1n33 s HIS 46 Cb 0.00 -4.53 0.47 0.00 1.11 0.00 0.00 32.58 29.64 1n33 s HIS 46 CO 0.00 -1.76 1.63 0.87 -0.85 0.00 0.00 174.74 174.64 1n33 h LYS 47 N 9.18 0.00 -0.65 1.40 1.57 -1.72 -3.20 116.57 123.15 1n33 h LYS 47 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1n33 h LYS 47 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1n33 h LYS 47 CO 1.38 0.40 0.00 1.63 -0.57 0.00 0.00 179.45 182.29 1n33 n LYS 48 N -3.38 3.06 -3.05 3.15 5.02 -1.26 -4.70 118.16 117.01 1n33 n LYS 48 Ca 0.01 -1.94 -0.44 0.00 -2.02 0.00 0.00 58.31 53.92 1n33 n LYS 48 Cb 0.59 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1n33 n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1n33 n ASP 49 N 0.57 5.57 0.09 4.39 -0.08 -1.21 -4.86 116.55 121.01 1n33 n ASP 49 Ca 0.17 -3.10 -0.06 0.00 -1.51 0.00 0.00 54.79 50.29 1n33 n ASP 49 Cb 0.71 -1.42 0.07 0.00 2.34 0.00 0.00 41.12 42.81 1n33 n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1n33 h HIS 50 N 6.44 0.27 0.00 -0.67 3.86 -1.90 -3.04 115.15 120.10 1n33 h HIS 50 Ca 0.25 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1n33 h HIS 50 Cb 0.79 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1n33 h HIS 50 CO 0.96 0.85 0.00 0.72 0.86 0.00 0.00 177.93 181.32 1n33 n HIS 51 N -3.77 0.00 -0.11 2.45 8.25 -1.26 -2.33 115.22 118.46 1n33 n HIS 51 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 1n33 n HIS 51 Cb 0.70 -0.38 -0.07 0.00 1.12 0.00 0.00 29.99 31.36 1n33 n HIS 51 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1n33 n SER 52 N -1.38 1.91 -0.32 0.41 7.64 -1.18 -4.26 113.62 116.43 1n33 n SER 52 Ca 0.03 0.41 0.18 0.00 1.01 0.00 0.00 58.87 60.50 1n33 n SER 52 Cb 0.07 -0.84 0.35 0.00 -1.01 0.00 0.00 64.21 62.79 1n33 n SER 52 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1n33 h HIS 53 N -1.00 0.26 -0.19 1.43 6.17 -1.35 0.47 115.15 120.94 1n33 h HIS 53 Ca -0.32 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 60.82 1n33 h HIS 53 Cb 1.19 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 31.15 1n33 h HIS 53 CO -0.16 -0.38 0.11 -0.09 0.71 0.00 0.00 177.93 178.12 1n33 h ARG 54 N 0.07 0.26 -0.44 5.26 2.43 -1.72 0.32 114.38 120.56 1n33 h ARG 54 Ca 0.64 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.87 1n33 h ARG 54 Cb 1.42 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.82 1n33 h ARG 54 CO -0.81 0.23 -0.26 0.78 -1.51 0.00 0.00 179.97 178.40 1n33 h GLY 55 N 0.22 -0.02 0.31 2.80 0.00 -0.29 -0.03 103.07 106.06 1n33 h GLY 55 Ca 0.07 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.78 1n33 h GLY 55 CO -0.01 -0.21 -0.18 -2.00 0.00 0.00 0.00 176.54 174.14 1n33 h LEU 56 N -0.17 -0.58 -1.65 3.11 6.46 -0.22 -0.08 115.31 122.18 1n33 h LEU 56 Ca 0.20 0.11 0.33 0.00 -0.12 0.00 0.00 57.88 58.41 1n33 h LEU 56 Cb 0.49 0.28 -0.08 0.00 -0.73 0.00 0.00 40.66 40.63 1n33 h LEU 56 CO -0.54 -0.22 0.79 0.25 -0.62 0.00 0.00 178.44 178.10 1n33 h LEU 57 N -0.19 0.22 -0.13 2.25 5.85 0.14 0.35 115.31 123.80 1n33 h LEU 57 Ca 0.12 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 1n33 h LEU 57 Cb 0.38 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1n33 h LEU 57 CO -0.32 0.01 -0.43 0.24 -0.34 0.00 0.00 178.44 177.61 1n33 h MET 58 N 0.18 0.53 -0.63 1.25 2.86 0.21 -2.74 114.93 116.58 1n33 h MET 58 Ca 0.62 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.91 1n33 h MET 58 Cb 2.03 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 33.72 1n33 h MET 58 CO -0.18 1.01 0.37 0.52 1.06 0.00 0.00 176.91 179.69 1n33 h MET 59 N 0.14 0.70 0.00 1.72 2.86 0.14 0.23 114.93 120.72 1n33 h MET 59 Ca -0.02 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1n33 h MET 59 Cb 1.06 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1n33 h MET 59 CO 0.09 0.46 -0.11 0.28 1.06 0.00 0.00 176.91 178.69 1n33 h VAL 60 N 0.72 0.97 0.31 -2.22 2.07 -1.24 -0.89 116.25 115.96 1n33 h VAL 60 Ca 0.26 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1n33 h VAL 60 Cb 0.07 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1n33 h VAL 60 CO -0.13 0.11 -0.15 1.23 0.02 0.00 0.00 177.57 178.65 1n33 h GLY 61 N 0.38 -0.43 0.85 2.17 0.00 -0.48 -1.72 103.07 103.85 1n33 h GLY 61 Ca -0.00 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.54 1n33 h GLY 61 CO 0.01 -0.16 0.53 -1.61 0.00 0.00 0.00 176.54 175.31 1n33 h GLN 62 N -1.03 0.00 0.00 4.80 5.75 -0.47 -0.32 115.11 123.84 1n33 h GLN 62 Ca -0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1n33 h GLN 62 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1n33 h GLN 62 CO 0.07 0.00 -0.19 -0.09 -2.65 0.00 0.00 178.83 175.97 1n33 h ARG 63 N 0.00 0.00 0.00 1.69 2.43 -1.11 -2.50 114.38 114.89 1n33 h ARG 63 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1n33 h ARG 63 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1n33 h ARG 63 CO -0.00 0.00 0.29 2.89 -1.51 0.00 0.00 179.97 181.64 1n33 n ARG 64 N -4.19 0.06 -0.01 0.20 1.85 -0.65 -0.80 116.66 113.13 1n33 n ARG 64 Ca -0.03 0.49 -0.01 0.00 -1.00 0.00 0.00 57.85 57.31 1n33 n ARG 64 Cb 0.10 -2.00 -0.00 0.00 -1.05 0.00 0.00 32.46 29.51 1n33 n ARG 64 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1n33 h ARG 65 N 0.00 -0.03 -0.90 2.89 9.65 -1.14 -2.75 114.38 122.09 1n33 h ARG 65 Ca 0.00 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.04 1n33 h ARG 65 Cb 0.58 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 29.07 1n33 h ARG 65 CO 0.00 -0.02 0.49 -0.07 2.80 0.00 0.00 179.97 183.17 1n33 h LEU 66 N -0.40 0.61 -1.14 3.80 3.38 -0.54 0.38 115.31 121.40 1n33 h LEU 66 Ca -0.00 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1n33 h LEU 66 Cb 0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1n33 h LEU 66 CO 0.01 0.24 0.59 -0.07 0.09 0.00 0.00 178.44 179.29 1n33 h LEU 67 N 0.67 0.94 0.51 1.67 -0.00 -1.11 -1.47 115.31 116.52 1n33 h LEU 67 Ca 0.50 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.36 1n33 h LEU 67 Cb 0.73 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1n33 h LEU 67 CO -0.37 0.62 -0.31 -0.09 -0.00 0.00 0.00 178.44 178.30 1n33 h ARG 68 N 1.08 -0.74 -0.45 1.13 2.43 0.06 -1.88 114.38 116.00 1n33 h ARG 68 Ca 0.37 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.72 1n33 h ARG 68 Cb 0.10 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1n33 h ARG 68 CO -0.12 -0.49 0.34 -0.92 -1.51 0.00 0.00 179.97 177.26 1n33 h TYR 69 N -0.77 0.00 0.29 2.20 3.20 -0.91 -1.93 116.97 119.05 1n33 h TYR 69 Ca -0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1n33 h TYR 69 Cb 0.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1n33 h TYR 69 CO -0.09 0.00 -0.14 1.25 -1.64 0.00 0.00 178.16 177.54 1n33 h LEU 70 N 0.00 -0.33 0.49 2.82 7.12 -0.45 -2.66 115.31 122.30 1n33 h LEU 70 Ca 0.22 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 1n33 h LEU 70 Cb 0.90 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.11 1n33 h LEU 70 CO -0.00 -0.20 -0.32 1.56 -0.13 0.00 0.00 178.44 179.35 1n33 h GLN 71 N -0.44 -0.73 -0.72 1.25 4.20 -1.14 -1.43 115.11 116.10 1n33 h GLN 71 Ca -0.04 0.05 0.21 0.00 0.06 0.00 0.00 58.65 58.93 1n33 h GLN 71 Cb 0.33 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1n33 h GLN 71 CO 0.07 -0.49 1.00 -2.13 -0.67 0.00 0.00 178.83 176.61 1n33 n ARG 72 N -4.32 0.01 0.00 1.46 0.63 -1.02 -3.25 116.66 110.17 1n33 n ARG 72 Ca -0.09 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1n33 n ARG 72 Cb 0.32 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.10 1n33 n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1n33 n GLU 73 N -2.80 0.00 -3.35 -0.14 -0.58 -0.91 -4.93 120.64 107.93 1n33 n GLU 73 Ca 0.16 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.45 1n33 n GLU 73 Cb 1.21 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 32.07 1n33 n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1n33 s ASP 74 N -0.24 6.97 0.00 1.62 -1.08 -0.59 -4.89 116.67 118.47 1n33 s ASP 74 Ca 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 52.55 48.87 1n33 s ASP 74 Cb 0.00 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1n33 s ASP 74 CO 0.00 -0.42 0.03 -0.81 0.52 0.00 0.00 175.17 174.49 1n33 n PRO 75 N 3.30 0.01 -0.04 4.34 -0.04 -1.20 -2.06 135.00 139.31 1n33 n PRO 75 Ca 0.19 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1n33 n PRO 75 Cb 0.43 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.84 1n33 n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1n33 n GLU 76 N -0.53 0.30 -0.42 0.54 4.07 -1.26 -4.03 120.64 119.31 1n33 n GLU 76 Ca 0.00 0.12 0.37 0.00 -0.06 0.00 0.00 57.16 57.59 1n33 n GLU 76 Cb 0.00 -1.00 0.70 0.00 -0.06 0.00 0.00 31.44 31.08 1n33 n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n33 h ARG 77 N -0.57 0.09 0.37 5.31 3.08 -1.78 0.17 114.38 121.05 1n33 h ARG 77 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1n33 h ARG 77 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1n33 h ARG 77 CO 0.00 0.06 -0.18 -0.92 -1.07 0.00 0.00 179.97 177.86 1n33 h TYR 78 N 0.10 -0.48 0.00 3.04 3.20 -1.70 -0.54 116.97 120.59 1n33 h TYR 78 Ca 0.70 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.56 1n33 h TYR 78 Cb 2.47 0.16 0.00 0.00 1.54 0.00 0.00 36.73 40.90 1n33 h TYR 78 CO -0.00 -0.29 0.33 0.00 -1.64 0.00 0.00 178.16 176.56 1n33 h ARG 79 N -0.50 0.00 0.00 1.82 3.08 -0.85 -0.87 114.38 117.06 1n33 h ARG 79 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1n33 h ARG 79 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1n33 h ARG 79 CO 0.08 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.96 1n33 h ALA 80 N 1.16 0.00 -0.76 0.04 0.00 -0.76 -3.00 119.26 115.94 1n33 h ALA 80 Ca 0.00 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.12 1n33 h ALA 80 Cb 0.66 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.33 1n33 h ALA 80 CO 0.00 0.02 0.14 1.28 0.00 0.00 0.00 179.25 180.69 1n33 n LEU 81 N -3.01 0.02 0.12 0.00 4.77 -0.26 -0.26 117.00 118.37 1n33 n LEU 81 Ca -0.00 1.28 -0.11 0.00 -0.03 0.00 0.00 56.01 57.15 1n33 n LEU 81 Cb 0.01 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1n33 n LEU 81 CO 0.00 -1.34 0.38 0.40 -1.33 0.00 0.00 177.39 175.50 1n33 h ILE 82 N 0.00 0.58 -1.44 -0.08 2.04 -1.64 0.35 117.51 117.31 1n33 h ILE 82 Ca 0.52 -0.87 0.47 0.00 1.00 0.00 0.00 64.86 65.98 1n33 h ILE 82 Cb 1.19 0.93 -0.12 0.00 -0.74 0.00 0.00 36.82 38.08 1n33 h ILE 82 CO -0.67 0.14 0.95 -0.08 0.00 0.00 0.00 178.15 178.48 1n33 h GLU 83 N -0.93 0.05 0.02 2.37 4.22 -0.48 1.98 114.58 121.81 1n33 h GLU 83 Ca -0.04 -0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.25 1n33 h GLU 83 Cb 0.50 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1n33 h GLU 83 CO 0.06 0.03 -0.79 0.87 -2.18 0.00 0.00 179.01 177.00 1n33 h LYS 84 N 0.05 0.04 0.21 1.92 1.57 -1.21 -3.40 116.57 115.75 1n33 h LYS 84 Ca 0.85 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.55 1n33 h LYS 84 Cb 2.83 0.03 0.00 0.00 0.08 0.00 0.00 32.23 35.17 1n33 h LYS 84 CO -0.36 1.03 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.39 1n33 h LEU 85 N -0.88 -0.24 -0.40 2.94 3.38 0.29 -3.49 115.31 116.90 1n33 h LEU 85 Ca -0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1n33 h LEU 85 Cb 1.26 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1n33 h LEU 85 CO -0.08 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1n33 n GLY 86 N 0.30 0.89 3.89 0.83 0.00 0.64 -5.04 105.19 106.71 1n33 n GLY 86 Ca -0.08 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 1n33 n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n33 s ILE 87 N -2.10 1.86 0.00 -0.61 1.01 -1.26 -4.95 121.20 115.16 1n33 s ILE 87 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.17 1n33 s ILE 87 Cb 0.00 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1n33 s ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.48 1n33 n ARG 88 N -1.70 0.00 0.00 2.79 5.12 -1.26 -4.99 116.66 116.62 1n33 n ARG 88 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1n33 n ARG 88 Cb 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.94 1n33 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11