#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f96 n ASP 3 N 1.52 -1.37 -3.60 0.00 8.00 -1.26 -4.99 116.55 114.86 1f96 n ASP 3 Ca 0.06 -2.34 -0.22 0.00 0.71 0.00 0.00 54.79 53.00 1f96 n ASP 3 Cb 0.37 0.72 0.07 0.00 -0.02 0.00 0.00 41.12 42.26 1f96 n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1f96 n ARG 4 N -1.02 -6.77 -0.28 -1.24 3.00 -1.26 -4.88 116.66 104.21 1f96 n ARG 4 Ca -0.09 0.78 0.00 0.00 -0.01 0.00 0.00 57.85 58.53 1f96 n ARG 4 Cb 0.86 -5.73 0.20 0.00 0.00 0.00 0.00 32.46 27.79 1f96 n ARG 4 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1f96 h LYS 5 N -2.23 1.09 -6.25 5.56 1.63 -1.94 -3.43 116.57 111.00 1f96 h LYS 5 Ca -0.58 -0.07 -0.69 0.00 -0.85 0.00 0.00 60.65 58.46 1f96 h LYS 5 Cb 1.36 -0.25 0.05 0.00 -0.60 0.00 0.00 32.23 32.80 1f96 h LYS 5 CO 0.55 0.72 0.41 0.00 -3.45 0.00 0.00 179.45 177.69 1f96 n ALA 6 N -2.41 -1.19 -2.63 5.00 0.00 -1.26 -4.94 120.51 113.08 1f96 n ALA 6 Ca 0.10 0.52 -0.37 0.00 0.00 0.00 0.00 53.44 53.69 1f96 n ALA 6 Cb 0.05 -2.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.39 1f96 n ALA 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1f96 s VAL 7 N 0.42 5.18 0.06 0.00 -7.23 -0.16 -4.88 120.40 113.80 1f96 s VAL 7 Ca 0.85 0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 61.48 1f96 s VAL 7 Cb -0.98 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 32.24 1f96 s VAL 7 CO 0.48 0.52 0.70 -0.63 -0.31 0.00 0.00 175.10 175.85 1f96 s ILE 8 N -0.54 4.70 -0.03 -0.62 1.09 -1.26 -1.04 121.20 123.50 1f96 s ILE 8 Ca 0.21 1.49 -0.02 0.00 -1.10 0.00 0.00 60.65 61.23 1f96 s ILE 8 Cb -0.15 -4.04 -0.02 0.00 -1.06 0.00 0.00 42.46 37.19 1f96 s ILE 8 CO 0.09 0.44 -0.05 0.29 -0.10 0.00 0.00 174.94 175.61 1f96 n LYS 9 N 2.36 0.08 0.00 2.79 4.76 -0.77 -4.98 118.16 122.40 1f96 n LYS 9 Ca -0.05 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1f96 n LYS 9 Cb 0.50 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 1f96 n LYS 9 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1f96 n ASN 10 N -3.24 0.00 -1.88 4.39 4.13 -1.18 -5.02 115.26 112.45 1f96 n ASN 10 Ca -0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1f96 n ASN 10 Cb 0.49 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1f96 n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f96 n ALA 11 N -1.32 -1.91 -2.66 5.41 0.00 -1.26 -4.89 120.51 113.88 1f96 n ALA 11 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.85 1f96 n ALA 11 Cb 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.12 1f96 n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f96 n ASP 12 N 0.40 -1.15 -3.45 0.00 5.75 0.78 -4.93 116.55 113.95 1f96 n ASP 12 Ca 0.00 -1.65 -0.02 0.00 -0.01 0.00 0.00 54.79 53.11 1f96 n ASP 12 Cb 0.00 0.69 0.02 0.00 -1.03 0.00 0.00 41.12 40.80 1f96 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f96 s MET 13 N 0.05 1.15 0.23 0.11 0.23 -1.25 -1.83 119.30 117.98 1f96 s MET 13 Ca 0.25 -0.74 -0.31 0.00 -1.03 0.00 0.00 55.69 53.86 1f96 s MET 13 Cb 0.22 0.32 -0.14 0.00 -1.53 0.00 0.00 34.83 33.70 1f96 s MET 13 CO -0.09 -0.54 1.20 -1.13 -2.03 0.00 0.00 175.02 172.43 1f96 n SER 14 N -1.17 1.84 -0.34 -1.18 3.41 -1.26 -4.79 113.62 110.13 1f96 n SER 14 Ca -0.02 1.16 0.08 0.00 -0.26 0.00 0.00 58.87 59.82 1f96 n SER 14 Cb 0.59 -1.31 0.24 0.00 -0.26 0.00 0.00 64.21 63.47 1f96 n SER 14 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1f96 h GLU 15 N 3.21 0.82 -0.35 4.33 5.08 -2.00 -1.88 114.58 123.79 1f96 h GLU 15 Ca -0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1f96 h GLU 15 Cb 1.32 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1f96 h GLU 15 CO 0.69 0.54 0.22 1.05 -1.00 0.00 0.00 179.01 180.51 1f96 h GLU 16 N 0.84 0.47 -0.00 2.33 4.11 -1.97 0.51 114.58 120.87 1f96 h GLU 16 Ca 0.49 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.88 1f96 h GLU 16 Cb 0.58 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1f96 h GLU 16 CO -0.30 0.34 0.00 0.52 0.07 0.00 0.00 179.01 179.63 1f96 h MET 17 N 0.47 0.01 -0.51 1.06 2.86 -1.73 0.46 114.93 117.55 1f96 h MET 17 Ca 0.13 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1f96 h MET 17 Cb -0.03 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1f96 h MET 17 CO -0.03 0.14 0.01 -0.56 1.06 0.00 0.00 176.91 177.54 1f96 h GLN 18 N -0.13 0.85 -0.32 1.72 3.07 -1.25 0.11 115.11 119.16 1f96 h GLN 18 Ca 0.00 -0.23 -0.18 0.00 0.09 0.00 0.00 58.65 58.33 1f96 h GLN 18 Cb 0.14 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 27.60 1f96 h GLN 18 CO -0.00 0.84 -0.50 1.96 0.09 0.00 0.00 178.83 181.21 1f96 h GLN 19 N 0.79 0.90 -0.15 0.06 4.20 0.23 -1.45 115.11 119.69 1f96 h GLN 19 Ca 0.15 -0.55 -0.16 0.00 0.06 0.00 0.00 58.65 58.16 1f96 h GLN 19 Cb 0.45 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1f96 h GLN 19 CO 0.02 1.19 -0.58 -0.44 -0.67 0.00 0.00 178.83 178.35 1f96 h ASP 20 N 0.70 0.53 -0.43 1.46 3.32 0.11 -1.86 116.42 120.26 1f96 h ASP 20 Ca 0.03 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 1f96 h ASP 20 Cb 1.11 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1f96 h ASP 20 CO 0.12 0.99 -0.14 0.77 -1.72 0.00 0.00 179.24 179.26 1f96 h SER 21 N 0.36 0.88 -0.16 6.45 4.64 -0.74 0.61 113.55 125.59 1f96 h SER 21 Ca 0.00 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1f96 h SER 21 Cb 1.11 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1f96 h SER 21 CO 0.10 1.05 0.04 0.58 -0.87 0.00 0.00 176.83 177.74 1f96 h VAL 22 N 0.69 1.20 -0.34 0.95 2.07 -1.19 0.66 116.25 120.29 1f96 h VAL 22 Ca 0.11 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 1f96 h VAL 22 Cb 0.69 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1f96 h VAL 22 CO 0.05 0.19 -0.20 -0.33 0.02 0.00 0.00 177.57 177.29 1f96 h GLU 23 N 0.07 0.73 -0.20 1.57 5.08 -1.30 -1.89 114.58 118.64 1f96 h GLU 23 Ca 0.05 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1f96 h GLU 23 Cb 0.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1f96 h GLU 23 CO -0.00 0.95 -0.21 0.00 -1.00 0.00 0.00 179.01 178.75 1f96 h ALA 25 N 1.47 0.61 -0.34 0.00 0.00 0.50 -2.17 119.26 119.34 1f96 h ALA 25 Ca 0.05 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1f96 h ALA 25 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1f96 h ALA 25 CO 0.04 0.67 0.20 1.15 0.00 0.00 0.00 179.25 181.31 1f96 h THR 26 N 0.69 1.12 -0.93 0.00 2.02 -1.00 -2.19 112.91 112.62 1f96 h THR 26 Ca 0.05 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1f96 h THR 26 Cb 1.00 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 1f96 h THR 26 CO 0.10 0.12 0.57 1.56 0.37 0.00 0.00 175.52 178.24 1f96 h GLN 27 N 0.44 1.26 -0.54 6.66 4.20 -1.37 -2.37 115.11 123.40 1f96 h GLN 27 Ca 0.12 -0.11 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1f96 h GLN 27 Cb 0.02 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.48 1f96 h GLN 27 CO -0.02 0.87 0.25 0.00 -0.67 0.00 0.00 178.83 179.27 1f96 h ALA 28 N 1.35 0.70 -0.23 3.87 0.00 -0.82 0.41 119.26 124.54 1f96 h ALA 28 Ca 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1f96 h ALA 28 Cb -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1f96 h ALA 28 CO -0.06 -0.11 0.09 -0.07 0.00 0.00 0.00 179.25 179.09 1f96 h LEU 29 N 0.48 0.32 -1.19 0.00 3.38 -0.94 0.96 115.31 118.32 1f96 h LEU 29 Ca 0.25 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1f96 h LEU 29 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1f96 h LEU 29 CO -0.20 0.41 -0.37 -0.33 0.09 0.00 0.00 178.44 178.03 1f96 h GLU 30 N 0.22 0.06 0.10 1.13 5.08 -1.04 0.85 114.58 120.98 1f96 h GLU 30 Ca 0.08 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.09 1f96 h GLU 30 Cb 0.19 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1f96 h GLU 30 CO -0.01 0.43 -1.73 0.87 -1.00 0.00 0.00 179.01 177.57 1f96 h LYS 31 N 0.05 0.21 0.00 2.33 1.57 0.07 -3.43 116.57 117.37 1f96 h LYS 31 Ca 0.00 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.27 1f96 h LYS 31 Cb 0.69 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1f96 h LYS 31 CO 0.05 1.02 -1.57 0.66 -0.57 0.00 0.00 179.45 179.05 1f96 n TYR 32 N -3.38 0.00 -3.26 -1.35 4.01 0.33 -5.03 117.16 108.48 1f96 n TYR 32 Ca -0.22 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.34 1f96 n TYR 32 Cb 1.05 -0.37 0.06 0.00 -0.31 0.00 0.00 39.34 39.76 1f96 n TYR 32 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1f96 n ASN 33 N -3.04 -5.24 -3.69 7.72 4.13 0.30 -5.00 115.26 110.45 1f96 n ASN 33 Ca -0.18 -0.38 -0.10 0.00 1.68 0.00 0.00 54.58 55.60 1f96 n ASN 33 Cb 0.67 -3.87 -0.10 0.00 -1.54 0.00 0.00 39.78 34.94 1f96 n ASN 33 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1f96 s ILE 34 N -3.21 -0.10 0.21 2.41 1.01 -1.26 -5.06 121.20 115.21 1f96 s ILE 34 Ca 0.41 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 1f96 s ILE 34 Cb -0.18 -0.65 0.20 0.00 0.01 0.00 0.00 42.46 41.83 1f96 s ILE 34 CO 0.51 0.04 1.66 1.05 0.00 0.00 0.00 174.94 178.20 1f96 h GLU 35 N 7.23 0.12 0.58 2.79 4.11 -1.95 -1.94 114.58 125.52 1f96 h GLU 35 Ca -0.34 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.06 1f96 h GLU 35 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1f96 h GLU 35 CO 0.26 0.08 -0.31 -0.22 0.07 0.00 0.00 179.01 178.89 1f96 h LYS 36 N 0.12 -0.79 -0.88 1.06 3.64 -1.97 -3.01 116.57 114.74 1f96 h LYS 36 Ca 0.32 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.89 1f96 h LYS 36 Cb 0.52 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.43 1f96 h LYS 36 CO -0.52 -0.53 0.48 -0.44 -2.27 0.00 0.00 179.45 176.17 1f96 h ASP 37 N -0.82 0.62 -0.31 4.20 3.32 -1.90 -2.05 116.42 119.49 1f96 h ASP 37 Ca -0.07 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.13 1f96 h ASP 37 Cb 0.65 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 1f96 h ASP 37 CO 0.10 0.28 -0.19 0.40 -1.72 0.00 0.00 179.24 178.11 1f96 h ILE 38 N 0.71 0.45 -0.02 0.35 2.04 -1.23 -1.32 117.51 118.49 1f96 h ILE 38 Ca 0.47 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.25 1f96 h ILE 38 Cb 0.61 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1f96 h ILE 38 CO -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.48 1f96 h ALA 39 N 1.02 1.41 0.50 1.87 0.00 -1.31 -2.22 119.26 120.54 1f96 h ALA 39 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1f96 h ALA 39 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1f96 h ALA 39 CO -0.41 0.44 -0.24 0.00 0.00 0.00 0.00 179.25 179.04 1f96 h ALA 40 N 1.63 -0.86 -0.43 0.00 0.00 -0.61 -2.06 119.26 116.92 1f96 h ALA 40 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1f96 h ALA 40 Cb 0.61 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1f96 h ALA 40 CO 0.04 -0.82 0.01 1.12 0.00 0.00 0.00 179.25 179.61 1f96 h HIS 41 N -0.91 0.82 -0.52 0.00 2.07 -1.50 -2.61 115.15 112.51 1f96 h HIS 41 Ca -0.07 -0.14 -0.00 0.00 -2.85 0.00 0.00 60.37 57.31 1f96 h HIS 41 Cb 0.52 -0.21 -0.02 0.00 2.57 0.00 0.00 27.41 30.26 1f96 h HIS 41 CO 0.04 0.81 0.31 0.82 -3.07 0.00 0.00 177.93 176.84 1f96 h ILE 42 N 0.59 1.16 0.30 6.12 2.04 -1.52 -1.34 117.51 124.87 1f96 h ILE 42 Ca 0.12 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1f96 h ILE 42 Cb 0.48 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1f96 h ILE 42 CO 0.02 0.17 -0.14 0.50 0.00 0.00 0.00 178.15 178.69 1f96 h LYS 43 N 0.69 -0.39 -0.38 2.37 3.64 -1.34 -2.05 116.57 119.12 1f96 h LYS 43 Ca 0.19 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1f96 h LYS 43 Cb -0.00 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1f96 h LYS 43 CO -0.03 -0.15 0.25 1.57 -2.27 0.00 0.00 179.45 178.82 1f96 h LYS 44 N -0.57 0.35 -0.05 1.90 5.09 -1.43 0.25 116.57 122.11 1f96 h LYS 44 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 60.65 60.67 1f96 h LYS 44 Cb 0.42 -0.08 -0.00 0.00 0.10 0.00 0.00 32.23 32.67 1f96 h LYS 44 CO 0.07 0.23 -0.01 1.49 -2.09 0.00 0.00 179.45 179.14 1f96 h GLU 45 N 0.36 0.10 -0.31 0.07 4.57 -1.06 -2.14 114.58 116.16 1f96 h GLU 45 Ca 0.16 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.13 1f96 h GLU 45 Cb 0.19 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1f96 h GLU 45 CO -0.04 0.42 -0.48 0.74 -1.18 0.00 0.00 179.01 178.47 1f96 h PHE 46 N -0.23 1.03 -0.87 0.92 -1.00 -0.89 -1.95 116.94 113.94 1f96 h PHE 46 Ca 0.01 -0.34 0.03 0.00 2.81 0.00 0.00 57.97 60.48 1f96 h PHE 46 Cb 0.38 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.68 1f96 h PHE 46 CO 0.05 1.15 0.57 -0.44 -1.61 0.00 0.00 178.31 178.02 1f96 h ASP 47 N 0.66 0.95 -0.18 2.17 5.19 -0.54 0.83 116.42 125.50 1f96 h ASP 47 Ca 0.03 -0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 1f96 h ASP 47 Cb 1.07 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1f96 h ASP 47 CO 0.11 0.66 -0.51 0.50 -3.12 0.00 0.00 179.24 176.87 1f96 h LYS 48 N 1.11 0.66 0.00 3.56 1.63 -1.33 -1.06 116.57 121.13 1f96 h LYS 48 Ca 0.34 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1f96 h LYS 48 Cb -0.02 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1f96 h LYS 48 CO -0.11 1.09 -0.05 0.87 -3.45 0.00 0.00 179.45 177.81 1f96 h LYS 49 N 0.34 0.00 0.00 1.90 1.79 -1.02 -3.39 116.57 116.20 1f96 h LYS 49 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1f96 h LYS 49 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1f96 h LYS 49 CO 0.11 0.00 -0.13 0.66 -1.08 0.00 0.00 179.45 179.01 1f96 n TYR 50 N -3.86 0.48 0.00 -1.35 4.02 0.28 -5.04 117.16 111.69 1f96 n TYR 50 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1f96 n TYR 50 Cb 0.03 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 38.66 1f96 n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1f96 n ASN 51 N -1.91 -0.42 -4.42 7.72 4.13 -0.44 -4.96 115.26 114.96 1f96 n ASN 51 Ca 0.06 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.03 1f96 n ASN 51 Cb 0.39 0.45 0.22 0.00 -1.54 0.00 0.00 39.78 39.30 1f96 n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1f96 s PRO 52 N -5.36 -0.51 -0.22 3.52 0.04 -0.96 -4.48 135.00 127.03 1f96 s PRO 52 Ca 0.00 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.49 1f96 s PRO 52 Cb 0.00 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.93 1f96 s PRO 52 CO 0.00 -3.35 -0.11 -0.08 0.04 0.00 0.00 177.00 173.50 1f96 s THR 53 N -2.79 2.62 -0.25 1.26 -1.32 -0.75 -4.67 115.64 109.74 1f96 s THR 53 Ca 0.67 -0.95 -0.22 0.00 -1.21 0.00 0.00 61.69 59.98 1f96 s THR 53 Cb -0.19 -2.25 -0.01 0.00 -1.51 0.00 0.00 72.50 68.54 1f96 s THR 53 CO 0.59 0.34 0.70 0.26 -2.21 0.00 0.00 174.62 174.30 1f96 s TRP 54 N 1.32 3.29 0.02 9.09 0.52 -1.26 -0.36 118.94 131.55 1f96 s TRP 54 Ca 0.02 0.92 -0.17 0.00 0.02 0.00 0.00 56.10 56.89 1f96 s TRP 54 Cb -0.15 -2.93 -0.06 0.00 -1.15 0.00 0.00 33.47 29.18 1f96 s TRP 54 CO -0.07 -0.36 0.47 -1.01 0.02 0.00 0.00 176.95 175.99 1f96 s HIS 55 N 2.63 3.74 0.02 -1.98 3.76 0.83 -4.86 115.29 119.42 1f96 s HIS 55 Ca 0.29 1.08 -0.01 0.00 -0.15 0.00 0.00 55.06 56.28 1f96 s HIS 55 Cb -0.15 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 1f96 s HIS 55 CO 0.08 0.59 -0.01 0.00 -0.85 0.00 0.00 174.74 174.55 1f96 s ILE 57 N -1.26 0.03 -0.17 0.00 1.01 -0.87 -4.97 121.20 114.98 1f96 s ILE 57 Ca -0.14 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 1f96 s ILE 57 Cb -0.08 -0.55 0.04 0.00 0.01 0.00 0.00 42.46 41.88 1f96 s ILE 57 CO -0.01 -0.12 0.45 -0.69 0.00 0.00 0.00 174.94 174.58 1f96 s VAL 58 N -0.50 -0.00 0.00 2.92 1.01 -1.26 -0.53 120.40 122.03 1f96 s VAL 58 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1f96 s VAL 58 Cb -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1f96 s VAL 58 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1f96 n GLY 59 N 2.88 -0.50 1.57 4.51 0.00 -0.70 -4.71 105.19 108.23 1f96 n GLY 59 Ca -0.14 0.25 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1f96 n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1f96 n ARG 60 N 0.00 0.19 0.00 1.61 1.85 -1.26 -1.02 116.66 118.02 1f96 n ARG 60 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 1f96 n ARG 60 Cb 0.00 0.11 0.00 0.00 -1.05 0.00 0.00 32.46 31.52 1f96 n ARG 60 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1f96 n ASN 61 N -0.21 0.00 -3.64 2.89 4.05 -1.26 -5.02 115.26 112.07 1f96 n ASN 61 Ca -0.03 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.93 1f96 n ASN 61 Cb 0.53 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.47 1f96 n ASN 61 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1f96 s PHE 62 N 0.00 -0.86 -0.05 1.20 -0.71 -1.26 -5.16 117.98 111.14 1f96 s PHE 62 Ca 0.00 1.79 -0.07 0.00 -1.04 0.00 0.00 56.93 57.61 1f96 s PHE 62 Cb 0.00 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1f96 s PHE 62 CO 0.00 -0.42 0.21 0.20 -1.34 0.00 0.00 175.22 173.86 1f96 s GLY 63 N 1.25 2.22 0.01 1.99 0.00 -1.26 -5.10 107.32 106.43 1f96 s GLY 63 Ca -0.07 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 43.76 1f96 s GLY 63 CO -0.14 -0.39 0.65 -1.35 0.00 0.00 0.00 173.10 171.86 1f96 s SER 64 N -1.40 -0.62 -0.03 1.64 1.04 -1.26 -5.16 113.70 107.92 1f96 s SER 64 Ca 0.22 0.50 0.02 0.00 0.48 0.00 0.00 55.95 57.16 1f96 s SER 64 Cb -0.13 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1f96 s SER 64 CO 0.11 -0.71 -0.07 -0.47 0.98 0.00 0.00 173.24 173.09 1f96 s TYR 65 N -1.92 0.76 0.21 5.02 6.14 -1.26 -5.15 117.35 121.15 1f96 s TYR 65 Ca -0.08 -0.18 -0.18 0.00 0.64 0.00 0.00 57.07 57.27 1f96 s TYR 65 Cb -0.00 -0.57 0.03 0.00 0.42 0.00 0.00 41.96 41.83 1f96 s TYR 65 CO 0.03 -0.10 0.56 0.08 0.64 0.00 0.00 175.55 176.77 1f96 s VAL 66 N 0.33 0.02 0.19 3.14 1.01 -1.26 -5.18 120.40 118.66 1f96 s VAL 66 Ca -0.04 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1f96 s VAL 66 Cb -0.09 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1f96 s VAL 66 CO 0.00 -0.08 -0.03 -0.89 0.00 0.00 0.00 175.10 174.11 1f96 s THR 67 N -3.88 3.53 -0.16 3.92 2.01 -1.26 -5.14 115.64 114.67 1f96 s THR 67 Ca 0.09 -1.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.24 1f96 s THR 67 Cb -0.02 -2.79 0.11 0.00 0.01 0.00 0.00 72.50 69.81 1f96 s THR 67 CO -0.01 -0.15 0.89 -1.38 -0.69 0.00 0.00 174.62 173.28 1f96 s HIS 68 N -1.81 -0.50 0.37 4.92 -3.43 -1.26 -4.98 115.29 108.60 1f96 s HIS 68 Ca 0.27 0.95 -0.28 0.00 -0.80 0.00 0.00 55.06 55.20 1f96 s HIS 68 Cb -0.09 0.41 -0.11 0.00 -1.43 0.00 0.00 32.58 31.36 1f96 s HIS 68 CO 0.18 -0.40 1.47 -1.91 -2.00 0.00 0.00 174.74 172.07 1f96 n GLU 69 N 1.15 2.61 -1.58 -0.38 4.07 -1.26 -4.93 120.64 120.32 1f96 n GLU 69 Ca -0.13 0.92 -0.37 0.00 -0.06 0.00 0.00 57.16 57.51 1f96 n GLU 69 Cb 0.57 -2.63 0.06 0.00 -0.06 0.00 0.00 31.44 29.38 1f96 n GLU 69 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1f96 n THR 70 N 0.45 3.81 -3.30 6.31 -2.24 -1.26 -2.75 114.28 115.30 1f96 n THR 70 Ca 0.02 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 1f96 n THR 70 Cb 0.38 -1.19 0.06 0.00 -2.10 0.00 0.00 70.33 67.48 1f96 n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f96 n LYS 71 N -1.37 -6.33 -2.78 -0.78 4.76 -1.25 -4.94 118.16 105.46 1f96 n LYS 71 Ca 0.14 0.80 -0.09 0.00 -2.87 0.00 0.00 58.31 56.29 1f96 n LYS 71 Cb 0.48 -5.63 0.04 0.00 -1.84 0.00 0.00 35.03 28.09 1f96 n LYS 71 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1f96 n HIS 72 N -4.69 -3.06 -3.63 2.13 8.25 -0.76 -4.21 115.22 109.25 1f96 n HIS 72 Ca -0.04 -1.94 -0.13 0.00 -0.26 0.00 0.00 57.72 55.36 1f96 n HIS 72 Cb 0.58 1.42 -0.07 0.00 1.12 0.00 0.00 29.99 33.04 1f96 n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1f96 s PHE 73 N 0.49 -0.69 -0.24 4.41 5.36 -1.11 -3.98 117.98 122.24 1f96 s PHE 73 Ca 0.31 1.67 -0.20 0.00 -0.96 0.00 0.00 56.93 57.76 1f96 s PHE 73 Cb 0.23 0.30 0.06 0.00 -0.34 0.00 0.00 43.02 43.28 1f96 s PHE 73 CO -0.22 -0.34 0.61 -1.50 -1.46 0.00 0.00 175.22 172.32 1f96 s ILE 74 N 0.29 -0.00 -0.01 3.12 2.07 -0.58 -0.16 121.20 125.94 1f96 s ILE 74 Ca 0.01 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 1f96 s ILE 74 Cb -0.05 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.68 1f96 s ILE 74 CO -0.01 0.00 -0.05 -0.47 -1.91 0.00 0.00 174.94 172.50 1f96 s TYR 75 N 0.64 0.54 -0.26 3.50 5.04 -1.26 -1.84 117.35 123.71 1f96 s TYR 75 Ca -0.02 -0.11 -0.26 0.00 -2.44 0.00 0.00 57.07 54.24 1f96 s TYR 75 Cb -0.05 -0.39 0.12 0.00 0.35 0.00 0.00 41.96 41.99 1f96 s TYR 75 CO -0.04 -0.04 1.00 -0.59 -1.34 0.00 0.00 175.55 174.54 1f96 s PHE 76 N 0.09 -0.48 0.46 4.97 -0.12 -0.60 -1.84 117.98 120.45 1f96 s PHE 76 Ca -0.01 1.14 -0.21 0.00 -0.05 0.00 0.00 56.93 57.81 1f96 s PHE 76 Cb -0.05 0.37 -0.10 0.00 -0.63 0.00 0.00 43.02 42.61 1f96 s PHE 76 CO -0.00 -0.26 1.00 0.71 -0.05 0.00 0.00 175.22 176.62 1f96 s TYR 77 N 0.05 3.15 -0.28 3.49 2.02 -0.20 -1.54 117.35 124.04 1f96 s TYR 77 Ca 0.02 1.59 -0.24 0.00 -0.37 0.00 0.00 57.07 58.08 1f96 s TYR 77 Cb -0.04 -2.97 0.12 0.00 -0.40 0.00 0.00 41.96 38.67 1f96 s TYR 77 CO -0.05 -0.49 1.00 -1.17 -1.57 0.00 0.00 175.55 173.27 1f96 s LEU 78 N -3.32 -0.49 -1.52 -1.29 2.96 0.07 -0.98 118.68 114.11 1f96 s LEU 78 Ca 0.65 0.92 -0.13 0.00 -0.22 0.00 0.00 54.13 55.34 1f96 s LEU 78 Cb -0.13 1.92 0.08 0.00 0.50 0.00 0.00 46.19 48.56 1f96 s LEU 78 CO 0.17 -0.16 1.01 0.61 -1.32 0.00 0.00 176.35 176.66 1f96 n GLY 79 N 2.46 -0.50 3.41 7.98 0.00 -1.26 -1.00 105.19 116.28 1f96 n GLY 79 Ca -0.13 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1f96 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f96 n GLN 80 N -4.72 -6.24 -3.65 1.61 1.13 -1.26 -4.98 117.38 99.28 1f96 n GLN 80 Ca 0.04 0.81 -0.12 0.00 -1.94 0.00 0.00 57.00 55.79 1f96 n GLN 80 Cb 0.53 -5.75 -0.07 0.00 0.11 0.00 0.00 30.24 25.05 1f96 n GLN 80 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1f96 s VAL 81 N -3.24 -0.00 0.26 5.09 -7.23 -0.17 -4.96 120.40 110.15 1f96 s VAL 81 Ca 0.48 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.36 1f96 s VAL 81 Cb -0.22 -0.94 -0.09 0.00 0.56 0.00 0.00 36.38 35.69 1f96 s VAL 81 CO 0.60 0.00 1.26 0.00 -0.31 0.00 0.00 175.10 176.65 1f96 s ALA 82 N 0.76 3.49 -0.01 1.32 0.00 -0.19 -0.75 121.76 126.37 1f96 s ALA 82 Ca -0.03 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1f96 s ALA 82 Cb -0.05 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1f96 s ALA 82 CO -0.05 -0.49 -0.17 0.42 0.00 0.00 0.00 175.76 175.47 1f96 s ILE 83 N -0.58 1.32 0.00 0.00 1.01 -0.59 -1.73 121.20 120.65 1f96 s ILE 83 Ca 0.51 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1f96 s ILE 83 Cb -0.36 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1f96 s ILE 83 CO 0.44 0.36 -0.04 -0.22 0.00 0.00 0.00 174.94 175.48 1f96 s LEU 84 N -0.43 2.05 -0.18 2.97 2.96 0.31 -1.56 118.68 124.80 1f96 s LEU 84 Ca 0.06 -0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 1f96 s LEU 84 Cb -0.07 -0.15 0.06 0.00 0.50 0.00 0.00 46.19 46.53 1f96 s LEU 84 CO -0.01 -0.01 0.57 -0.22 -1.32 0.00 0.00 176.35 175.37 1f96 s LEU 85 N -0.34 -0.19 -0.30 -0.68 2.96 -0.76 -2.04 118.68 117.32 1f96 s LEU 85 Ca -0.01 1.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.75 1f96 s LEU 85 Cb -0.03 2.01 0.20 0.00 0.50 0.00 0.00 46.19 48.87 1f96 s LEU 85 CO -0.00 -0.28 1.22 0.72 -1.32 0.00 0.00 176.35 176.69 1f96 s PHE 86 N -0.04 -0.16 0.47 5.38 -0.71 -0.65 -1.52 117.98 120.76 1f96 s PHE 86 Ca -0.03 0.30 -0.06 0.00 -1.04 0.00 0.00 56.93 56.11 1f96 s PHE 86 Cb -0.04 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1f96 s PHE 86 CO 0.02 -0.08 0.78 -1.59 -1.34 0.00 0.00 175.22 173.02 1f96 s LYS 87 N 1.38 3.56 -0.06 1.99 0.00 -1.26 -0.12 119.74 125.23 1f96 s LYS 87 Ca -0.06 0.21 -0.05 0.00 0.00 0.00 0.00 55.97 56.07 1f96 s LYS 87 Cb -0.02 -2.38 0.02 0.00 0.00 0.00 0.00 37.83 35.45 1f96 s LYS 87 CO -0.12 -0.18 0.17 -1.12 0.00 0.00 0.00 175.35 174.09 1f96 s SER 88 N -4.02 -0.17 0.00 0.03 0.01 0.52 -4.15 113.70 105.92 1f96 s SER 88 Ca 0.48 0.34 0.02 0.00 1.31 0.00 0.00 55.95 58.09 1f96 s SER 88 Cb -0.10 0.32 0.14 0.00 0.21 0.00 0.00 66.02 66.59 1f96 s SER 88 CO 0.44 -0.07 0.62 0.61 0.41 0.00 0.00 173.24 175.25