#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f96 s ASP 3 N 0.71 6.48 -0.18 0.00 1.01 -1.26 -4.86 116.67 118.58 1f96 s ASP 3 Ca 0.67 2.91 -0.05 0.00 0.71 0.00 0.00 52.55 56.79 1f96 s ASP 3 Cb -0.48 -2.65 -0.19 0.00 1.01 0.00 0.00 42.92 40.60 1f96 s ASP 3 CO 0.43 -0.79 2.92 0.54 0.21 0.00 0.00 175.17 178.48 1f96 n ARG 4 N 1.08 1.77 0.00 8.23 3.00 -1.26 -4.55 116.66 124.93 1f96 n ARG 4 Ca 0.03 -0.94 0.00 0.00 -0.01 0.00 0.00 57.85 56.93 1f96 n ARG 4 Cb 0.40 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 30.86 1f96 n ARG 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1f96 n LYS 5 N 2.78 0.00 -2.02 5.56 3.00 -1.26 -4.72 118.16 121.50 1f96 n LYS 5 Ca 0.38 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1f96 n LYS 5 Cb 0.65 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.87 1f96 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f96 n ALA 6 N -0.95 -1.95 -2.14 3.14 0.00 -1.26 -4.90 120.51 112.45 1f96 n ALA 6 Ca 0.00 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 1f96 n ALA 6 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.26 4.45 0.13 0.00 -7.23 0.10 -4.85 120.40 111.74 1f96 s VAL 7 Ca 0.00 1.87 -0.15 0.00 -1.81 0.00 0.00 61.98 61.89 1f96 s VAL 7 Cb 0.00 -4.23 -0.07 0.00 0.56 0.00 0.00 36.38 32.65 1f96 s VAL 7 CO 0.00 0.41 0.55 -0.63 -0.31 0.00 0.00 175.10 175.12 1f96 s ILE 8 N -0.50 4.84 0.00 -0.62 1.09 -1.26 -1.04 121.20 123.70 1f96 s ILE 8 Ca 0.41 0.89 0.00 0.00 -1.10 0.00 0.00 60.65 60.85 1f96 s ILE 8 Cb -0.23 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 1f96 s ILE 8 CO 0.28 0.30 0.00 0.29 -0.10 0.00 0.00 174.94 175.70 1f96 n LYS 9 N 0.96 0.00 -2.38 2.79 4.76 -0.77 -4.92 118.16 118.60 1f96 n LYS 9 Ca -0.06 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.15 1f96 n LYS 9 Cb 0.52 -0.44 0.01 0.00 -1.84 0.00 0.00 35.03 33.28 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 -1.96 4.22 -4.77 4.39 4.13 -1.13 -4.98 115.26 115.16 1f96 n ASN 10 Ca 0.00 -3.51 -0.40 0.00 1.68 0.00 0.00 54.58 52.34 1f96 n ASN 10 Cb 0.09 -0.43 0.01 0.00 -1.54 0.00 0.00 39.78 37.90 1f96 n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f96 s ALA 11 N -3.53 3.40 -0.36 5.41 0.00 -1.26 -3.33 121.76 122.09 1f96 s ALA 11 Ca 0.45 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.96 1f96 s ALA 11 Cb 0.40 -3.59 0.25 0.00 0.00 0.00 0.00 23.12 20.19 1f96 s ALA 11 CO -0.08 -1.09 1.23 -3.47 0.00 0.00 0.00 175.76 172.34 1f96 n ASP 12 N 0.15 -1.57 -2.39 0.00 2.03 0.58 -4.91 116.55 110.44 1f96 n ASP 12 Ca 0.03 -2.27 -0.01 0.00 0.52 0.00 0.00 54.79 53.07 1f96 n ASP 12 Cb 0.41 1.21 0.01 0.00 -0.72 0.00 0.00 41.12 42.03 1f96 n ASP 12 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1f96 n MET 13 N -0.15 0.27 -1.51 -0.67 0.00 -1.23 -2.22 117.12 111.61 1f96 n MET 13 Ca -0.10 -0.69 -0.37 0.00 0.00 0.00 0.00 57.70 56.54 1f96 n MET 13 Cb 0.73 0.98 0.07 0.00 0.00 0.00 0.00 33.22 35.00 1f96 n MET 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1f96 n SER 14 N -0.87 0.51 -0.14 3.17 7.64 -1.26 -4.86 113.62 117.80 1f96 n SER 14 Ca 0.00 0.74 -0.10 0.00 1.01 0.00 0.00 58.87 60.52 1f96 n SER 14 Cb 0.33 -1.38 -0.01 0.00 -1.01 0.00 0.00 64.21 62.14 1f96 n SER 14 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f96 h GLU 15 N 0.15 0.68 -0.69 1.43 3.07 -2.01 -2.68 114.58 114.53 1f96 h GLU 15 Ca -0.48 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.19 1f96 h GLU 15 Cb 1.36 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 1f96 h GLU 15 CO 0.49 0.71 0.38 1.05 -1.40 0.00 0.00 179.01 180.24 1f96 h GLU 16 N 0.54 0.96 0.06 2.33 4.11 -1.99 -1.57 114.58 119.03 1f96 h GLU 16 Ca 0.13 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1f96 h GLU 16 Cb 0.35 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1f96 h GLU 16 CO 0.01 0.72 -0.07 0.52 0.07 0.00 0.00 179.01 180.26 1f96 h MET 17 N 0.95 -0.14 -0.96 1.06 2.86 -1.90 0.22 114.93 117.01 1f96 h MET 17 Ca 0.24 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1f96 h MET 17 Cb 0.04 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1f96 h MET 17 CO -0.04 -0.10 0.59 -0.56 1.06 0.00 0.00 176.91 177.87 1f96 h GLN 18 N -0.15 1.29 -0.48 1.72 3.07 -1.34 -0.32 115.11 118.90 1f96 h GLN 18 Ca 0.01 -0.11 -0.10 0.00 0.09 0.00 0.00 58.65 58.54 1f96 h GLN 18 Cb 0.15 -0.28 -0.02 0.00 0.08 0.00 0.00 27.48 27.42 1f96 h GLN 18 CO -0.03 0.89 -0.10 1.96 0.09 0.00 0.00 178.83 181.64 1f96 h GLN 19 N 1.31 0.92 -0.70 0.06 1.08 -0.93 -1.43 115.11 115.42 1f96 h GLN 19 Ca 0.35 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1f96 h GLN 19 Cb -0.08 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1f96 h GLN 19 CO -0.07 1.00 0.15 0.22 -0.95 0.00 0.00 178.83 179.18 1f96 h ASP 20 N 0.77 1.07 -0.32 1.46 3.58 -0.11 0.21 116.42 123.08 1f96 h ASP 20 Ca 0.12 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 1f96 h ASP 20 Cb 0.65 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1f96 h ASP 20 CO 0.04 1.04 -0.02 -1.28 -2.88 0.00 0.00 179.24 176.14 1f96 h SER 21 N 1.07 0.58 -0.40 2.28 0.87 -0.95 0.46 113.55 117.46 1f96 h SER 21 Ca 0.22 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 1f96 h SER 21 Cb 0.40 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1f96 h SER 21 CO 0.01 0.77 0.10 0.58 -0.53 0.00 0.00 176.83 177.75 1f96 h VAL 22 N 0.38 1.23 -0.23 2.23 2.07 -1.07 0.25 116.25 121.11 1f96 h VAL 22 Ca 0.09 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1f96 h VAL 22 Cb 0.49 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1f96 h VAL 22 CO 0.02 0.27 0.02 -0.08 0.02 0.00 0.00 177.57 177.82 1f96 h GLU 23 N 0.51 0.39 -0.08 1.57 4.81 -0.48 -1.31 114.58 119.98 1f96 h GLU 23 Ca 0.13 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1f96 h GLU 23 Cb 0.31 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1f96 h GLU 23 CO 0.00 0.56 -0.25 0.00 -0.73 0.00 0.00 179.01 178.59 1f96 h ALA 25 N 1.62 0.53 -0.05 0.00 0.00 -0.28 -1.80 119.26 119.27 1f96 h ALA 25 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1f96 h ALA 25 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1f96 h ALA 25 CO 0.04 0.68 0.03 1.15 0.00 0.00 0.00 179.25 181.14 1f96 h THR 26 N 0.72 1.00 -0.37 0.00 2.02 -0.85 -1.99 112.91 113.44 1f96 h THR 26 Ca 0.04 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1f96 h THR 26 Cb 1.06 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1f96 h THR 26 CO 0.11 0.01 0.17 1.56 0.37 0.00 0.00 175.52 177.74 1f96 h GLN 27 N 0.06 0.35 -0.90 6.66 4.20 -1.42 -1.47 115.11 122.59 1f96 h GLN 27 Ca 0.02 -0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.96 1f96 h GLN 27 Cb 0.00 -0.08 -0.14 0.00 0.30 0.00 0.00 27.48 27.56 1f96 h GLN 27 CO -0.02 0.23 0.32 0.00 -0.67 0.00 0.00 178.83 178.69 1f96 h ALA 28 N 1.20 1.42 -0.27 3.87 0.00 -0.83 1.09 119.26 125.74 1f96 h ALA 28 Ca 0.16 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1f96 h ALA 28 Cb 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1f96 h ALA 28 CO -0.12 -0.47 0.13 -0.07 0.00 0.00 0.00 179.25 178.72 1f96 h LEU 29 N 0.26 0.35 -1.18 0.00 3.38 -0.55 0.54 115.31 118.10 1f96 h LEU 29 Ca 0.59 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.35 1f96 h LEU 29 Cb 1.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1f96 h LEU 29 CO -0.63 0.38 -0.40 -0.33 0.09 0.00 0.00 178.44 177.54 1f96 h GLU 30 N 0.30 0.00 0.17 1.13 5.08 0.17 0.94 114.58 122.37 1f96 h GLU 30 Ca 0.09 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.15 1f96 h GLU 30 Cb 0.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.39 1f96 h GLU 30 CO -0.01 0.40 -1.35 0.87 -1.00 0.00 0.00 179.01 177.92 1f96 h LYS 31 N 0.00 0.36 0.00 2.33 1.79 0.15 -3.43 116.57 117.77 1f96 h LYS 31 Ca -0.00 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 1f96 h LYS 31 Cb 0.73 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1f96 h LYS 31 CO 0.05 1.29 -0.27 0.66 -1.08 0.00 0.00 179.45 180.10 1f96 n TYR 32 N -3.59 0.00 -3.00 -1.35 4.01 0.18 -5.06 117.16 108.36 1f96 n TYR 32 Ca -0.12 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.50 1f96 n TYR 32 Cb 1.05 0.03 0.05 0.00 -0.31 0.00 0.00 39.34 40.16 1f96 n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1f96 n ASN 33 N -1.83 -3.08 -3.69 7.72 5.15 0.32 -4.97 115.26 114.88 1f96 n ASN 33 Ca 0.00 -0.36 -0.12 0.00 -0.60 0.00 0.00 54.58 53.50 1f96 n ASN 33 Cb 0.14 -3.33 -0.12 0.00 -0.53 0.00 0.00 39.78 35.94 1f96 n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f96 s ILE 34 N -3.21 -0.28 0.26 -1.44 -1.09 -1.26 -5.02 121.20 109.15 1f96 s ILE 34 Ca 0.14 0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.74 1f96 s ILE 34 Cb -0.06 -0.48 0.26 0.00 -1.58 0.00 0.00 42.46 40.60 1f96 s ILE 34 CO 0.45 0.08 1.68 1.05 -1.23 0.00 0.00 174.94 176.97 1f96 h GLU 35 N 7.80 0.28 0.74 2.79 4.11 -1.96 0.19 114.58 128.52 1f96 h GLU 35 Ca -0.25 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.13 1f96 h GLU 35 Cb 1.13 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1f96 h GLU 35 CO 0.22 0.18 -0.35 -0.22 0.07 0.00 0.00 179.01 178.91 1f96 h LYS 36 N 0.28 -0.96 -0.38 1.06 3.64 -1.97 -2.09 116.57 116.16 1f96 h LYS 36 Ca 0.47 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.95 1f96 h LYS 36 Cb 0.84 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1f96 h LYS 36 CO -0.54 -0.62 0.17 -0.44 -2.27 0.00 0.00 179.45 175.75 1f96 h ASP 37 N -1.11 0.24 -0.12 4.20 3.32 -1.86 -1.59 116.42 119.49 1f96 h ASP 37 Ca -0.10 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1f96 h ASP 37 Cb 0.78 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 1f96 h ASP 37 CO 0.17 0.18 -0.16 0.40 -1.72 0.00 0.00 179.24 178.10 1f96 h ILE 38 N 0.36 0.58 0.00 0.35 2.04 -0.66 -1.45 117.51 118.73 1f96 h ILE 38 Ca 0.17 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1f96 h ILE 38 Cb 0.10 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1f96 h ILE 38 CO -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 177.89 1f96 h ALA 39 N 0.83 1.61 0.37 1.87 0.00 -1.16 -2.43 119.26 120.35 1f96 h ALA 39 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1f96 h ALA 39 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1f96 h ALA 39 CO -0.24 0.16 -0.18 0.00 0.00 0.00 0.00 179.25 178.99 1f96 h ALA 40 N 1.87 -0.49 -0.09 0.00 0.00 -0.26 -1.93 119.26 118.36 1f96 h ALA 40 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1f96 h ALA 40 Cb 0.25 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1f96 h ALA 40 CO 0.02 -0.58 0.02 1.12 0.00 0.00 0.00 179.25 179.83 1f96 h HIS 41 N -0.89 0.16 -0.79 0.00 2.07 -1.39 -2.43 115.15 111.87 1f96 h HIS 41 Ca -0.05 -0.02 0.04 0.00 -2.85 0.00 0.00 60.37 57.49 1f96 h HIS 41 Cb 0.54 -0.04 -0.05 0.00 2.57 0.00 0.00 27.41 30.42 1f96 h HIS 41 CO 0.03 0.35 0.49 0.82 -3.07 0.00 0.00 177.93 176.54 1f96 h ILE 42 N -0.08 1.08 -0.37 6.12 2.04 -1.55 0.48 117.51 125.22 1f96 h ILE 42 Ca 0.03 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1f96 h ILE 42 Cb 0.28 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1f96 h ILE 42 CO 0.00 0.17 0.24 0.50 0.00 0.00 0.00 178.15 179.06 1f96 h LYS 43 N 0.93 0.49 -0.07 2.37 3.11 -1.27 -1.98 116.57 120.16 1f96 h LYS 43 Ca 0.33 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.11 1f96 h LYS 43 Cb 0.08 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.19 1f96 h LYS 43 CO -0.14 0.34 -0.03 0.87 -2.81 0.00 0.00 179.45 177.68 1f96 h LYS 44 N 0.50 0.14 -0.46 1.90 1.57 -0.94 -2.29 116.57 116.99 1f96 h LYS 44 Ca 0.13 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1f96 h LYS 44 Cb -0.04 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1f96 h LYS 44 CO -0.03 0.51 0.18 0.93 -0.57 0.00 0.00 179.45 180.47 1f96 h GLU 45 N -0.23 0.35 -0.42 3.15 5.08 -0.87 -0.57 114.58 121.07 1f96 h GLU 45 Ca 0.02 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1f96 h GLU 45 Cb 0.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1f96 h GLU 45 CO 0.01 0.23 -0.04 0.74 -1.00 0.00 0.00 179.01 178.95 1f96 h PHE 46 N 0.36 0.84 0.00 4.33 -1.00 -1.40 -0.79 116.94 119.28 1f96 h PHE 46 Ca 0.21 -0.16 -0.07 0.00 2.81 0.00 0.00 57.97 60.76 1f96 h PHE 46 Cb 0.19 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1f96 h PHE 46 CO -0.14 0.85 -0.34 0.38 -1.61 0.00 0.00 178.31 177.46 1f96 h ASP 47 N 0.59 0.00 -0.01 2.17 3.04 -1.14 0.36 116.42 121.42 1f96 h ASP 47 Ca 0.11 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.73 1f96 h ASP 47 Cb 0.55 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.85 1f96 h ASP 47 CO 0.03 0.34 -0.66 0.50 -2.04 0.00 0.00 179.24 177.41 1f96 h LYS 48 N 0.00 0.47 0.04 4.15 3.11 -0.91 0.66 116.57 124.09 1f96 h LYS 48 Ca -0.00 -0.49 -0.00 0.00 -2.81 0.00 0.00 60.65 57.35 1f96 h LYS 48 Cb 0.60 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1f96 h LYS 48 CO 0.04 1.13 -0.02 0.87 -2.81 0.00 0.00 179.45 178.67 1f96 h LYS 49 N 0.01 -0.05 0.00 1.90 1.57 -0.98 -3.36 116.57 115.65 1f96 h LYS 49 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1f96 h LYS 49 Cb 1.35 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1f96 h LYS 49 CO 0.13 0.40 -0.40 1.88 -0.57 0.00 0.00 179.45 180.88 1f96 h TYR 50 N -0.98 0.00 0.00 -1.35 -1.99 -0.47 -3.50 116.97 108.67 1f96 h TYR 50 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1f96 h TYR 50 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1f96 h TYR 50 CO 0.12 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.37 1f96 n ASN 51 N -2.22 -0.30 -4.52 3.88 3.02 0.09 -4.98 115.26 110.22 1f96 n ASN 51 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 1f96 n ASN 51 Cb 0.44 0.30 0.24 0.00 -0.61 0.00 0.00 39.78 40.15 1f96 n ASN 51 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1f96 s PRO 52 N -5.29 -0.55 -0.09 3.52 0.02 -0.40 -4.55 135.00 127.65 1f96 s PRO 52 Ca 0.00 1.04 0.02 0.00 0.02 0.00 0.00 61.00 62.08 1f96 s PRO 52 Cb 0.00 -1.58 -0.02 0.00 0.02 0.00 0.00 34.50 32.92 1f96 s PRO 52 CO 0.00 -3.54 -0.16 -0.08 -0.33 0.00 0.00 177.00 172.89 1f96 s THR 53 N -2.48 2.82 -0.17 0.99 -1.32 -0.93 -4.68 115.64 109.88 1f96 s THR 53 Ca 0.68 -0.77 -0.07 0.00 -1.21 0.00 0.00 61.69 60.32 1f96 s THR 53 Cb -0.25 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 1f96 s THR 53 CO 0.63 0.55 0.08 0.26 -2.21 0.00 0.00 174.62 173.94 1f96 s TRP 54 N -0.02 3.32 -0.19 9.09 0.52 -1.26 0.22 118.94 130.62 1f96 s TRP 54 Ca -0.04 0.20 -0.08 0.00 0.02 0.00 0.00 56.10 56.20 1f96 s TRP 54 Cb -0.14 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1f96 s TRP 54 CO 0.04 0.29 0.07 -1.01 0.02 0.00 0.00 176.95 176.37 1f96 s HIS 55 N 0.05 3.26 0.03 -1.98 3.76 0.79 -4.92 115.29 116.26 1f96 s HIS 55 Ca 0.07 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 1f96 s HIS 55 Cb -0.12 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 1f96 s HIS 55 CO 0.00 0.13 -0.12 0.00 -0.85 0.00 0.00 174.74 173.90 1f96 s ILE 57 N -0.73 -0.00 -0.14 0.00 1.01 -0.89 -5.01 121.20 115.45 1f96 s ILE 57 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 1f96 s ILE 57 Cb -0.07 -0.54 0.04 0.00 0.01 0.00 0.00 42.46 41.91 1f96 s ILE 57 CO 0.01 0.00 0.35 -0.69 0.00 0.00 0.00 174.94 174.61 1f96 s VAL 58 N 0.34 -0.01 0.00 2.92 1.01 -1.26 -0.42 120.40 122.97 1f96 s VAL 58 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1f96 s VAL 58 Cb -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1f96 s VAL 58 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1f96 n GLY 59 N 3.36 -0.71 2.20 4.51 0.00 -0.87 -4.71 105.19 108.97 1f96 n GLY 59 Ca -0.17 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1f96 n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1f96 n ARG 60 N 0.00 0.31 0.00 1.61 0.63 -1.26 -1.17 116.66 116.78 1f96 n ARG 60 Ca 0.00 -0.54 0.00 0.00 -0.92 0.00 0.00 57.85 56.39 1f96 n ARG 60 Cb 0.00 0.05 0.00 0.00 0.45 0.00 0.00 32.46 32.96 1f96 n ARG 60 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1f96 n ASN 61 N -0.45 0.00 -3.64 6.15 4.05 -1.26 -5.04 115.26 115.07 1f96 n ASN 61 Ca -0.14 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 54.83 1f96 n ASN 61 Cb 0.63 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.57 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 -0.44 -0.11 1.20 -0.71 -1.26 -5.16 117.98 111.51 1f96 s PHE 62 Ca 0.00 0.99 -0.00 0.00 -1.04 0.00 0.00 56.93 56.88 1f96 s PHE 62 Cb 0.00 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 1f96 s PHE 62 CO 0.00 -0.21 -0.09 0.20 -1.34 0.00 0.00 175.22 173.78 1f96 s GLY 63 N 0.53 1.63 0.03 1.99 0.00 -1.26 -5.12 107.32 105.12 1f96 s GLY 63 Ca 0.00 -0.88 -0.22 0.00 0.00 0.00 0.00 44.72 43.62 1f96 s GLY 63 CO -0.10 -0.38 0.50 -1.35 0.00 0.00 0.00 173.10 171.77 1f96 s SER 64 N -0.15 -0.42 0.01 1.64 1.04 -1.26 -5.16 113.70 109.40 1f96 s SER 64 Ca 0.01 0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.72 1f96 s SER 64 Cb -0.13 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1f96 s SER 64 CO 0.03 -0.66 -0.21 -0.31 0.98 0.00 0.00 173.24 173.07 1f96 s TYR 65 N -2.15 1.84 0.17 5.02 2.02 -1.26 -5.15 117.35 117.85 1f96 s TYR 65 Ca -0.07 -0.36 -0.20 0.00 -0.37 0.00 0.00 57.07 56.07 1f96 s TYR 65 Cb -0.01 -1.15 0.05 0.00 -0.40 0.00 0.00 41.96 40.45 1f96 s TYR 65 CO 0.01 0.02 0.55 0.08 -1.57 0.00 0.00 175.55 174.64 1f96 s VAL 66 N -0.62 0.02 0.17 0.71 1.01 -1.26 -5.18 120.40 115.26 1f96 s VAL 66 Ca 0.08 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1f96 s VAL 66 Cb -0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1f96 s VAL 66 CO 0.00 -0.09 -0.13 -0.89 0.00 0.00 0.00 175.10 173.99 1f96 s THR 67 N -3.81 3.01 -0.14 3.92 2.01 -1.26 -5.14 115.64 114.23 1f96 s THR 67 Ca 0.04 -1.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.05 1f96 s THR 67 Cb -0.01 -2.47 0.12 0.00 0.01 0.00 0.00 72.50 70.15 1f96 s THR 67 CO -0.09 -0.08 0.95 -1.38 -0.69 0.00 0.00 174.62 173.34 1f96 s HIS 68 N -1.62 -0.41 0.36 4.92 -3.43 -1.26 -4.92 115.29 108.93 1f96 s HIS 68 Ca 0.23 0.70 -0.28 0.00 -0.80 0.00 0.00 55.06 54.91 1f96 s HIS 68 Cb -0.09 0.45 -0.11 0.00 -1.43 0.00 0.00 32.58 31.39 1f96 s HIS 68 CO 0.14 -0.38 1.50 -1.91 -2.00 0.00 0.00 174.74 172.09 1f96 n GLU 69 N 0.75 2.67 -1.66 -0.38 2.13 -1.25 -4.93 120.64 117.96 1f96 n GLU 69 Ca -0.11 0.94 -0.38 0.00 0.66 0.00 0.00 57.16 58.26 1f96 n GLU 69 Cb 0.58 -2.67 0.05 0.00 0.27 0.00 0.00 31.44 29.67 1f96 n GLU 69 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1f96 n THR 70 N 0.68 3.77 -2.89 6.31 -2.24 -1.26 -2.79 114.28 115.85 1f96 n THR 70 Ca 0.02 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 1f96 n THR 70 Cb 0.38 -1.30 0.03 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.01 -3.87 -2.75 -0.78 4.76 -1.25 -4.93 118.16 108.33 1f96 n LYS 71 Ca 0.13 0.61 -0.09 0.00 -2.87 0.00 0.00 58.31 56.09 1f96 n LYS 71 Cb 0.46 -4.86 0.09 0.00 -1.84 0.00 0.00 35.03 28.88 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 -4.13 -2.41 -3.71 2.13 8.25 -0.97 -4.65 115.22 109.72 1f96 n HIS 72 Ca -0.06 -2.21 -0.13 0.00 -0.26 0.00 0.00 57.72 55.07 1f96 n HIS 72 Cb 0.57 1.42 -0.10 0.00 1.12 0.00 0.00 29.99 33.01 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 -0.05 -0.53 -0.23 4.41 5.36 -0.94 -2.88 117.98 123.11 1f96 s PHE 73 Ca 0.23 1.27 -0.26 0.00 -0.96 0.00 0.00 56.93 57.21 1f96 s PHE 73 Cb 0.33 0.19 0.08 0.00 -0.34 0.00 0.00 43.02 43.29 1f96 s PHE 73 CO -0.06 -0.26 0.78 -1.50 -1.46 0.00 0.00 175.22 172.71 1f96 s ILE 74 N 0.40 0.00 -0.03 3.12 2.07 -0.23 -0.31 121.20 126.22 1f96 s ILE 74 Ca -0.01 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1f96 s ILE 74 Cb -0.04 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.57 1f96 s ILE 74 CO -0.01 0.00 0.08 -0.47 -1.91 0.00 0.00 174.94 172.62 1f96 s TYR 75 N 0.02 -0.08 -0.26 3.50 6.14 -1.21 -1.19 117.35 124.27 1f96 s TYR 75 Ca -0.01 0.22 -0.26 0.00 0.64 0.00 0.00 57.07 57.66 1f96 s TYR 75 Cb -0.04 -0.02 0.11 0.00 0.42 0.00 0.00 41.96 42.43 1f96 s TYR 75 CO 0.01 -0.06 0.97 -0.59 0.64 0.00 0.00 175.55 176.52 1f96 s PHE 76 N 0.33 -0.52 0.36 4.97 -0.12 0.49 -1.85 117.98 121.63 1f96 s PHE 76 Ca -0.02 1.22 -0.11 0.00 -0.05 0.00 0.00 56.93 57.96 1f96 s PHE 76 Cb -0.04 0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 1f96 s PHE 76 CO -0.01 -0.28 0.72 0.71 -0.05 0.00 0.00 175.22 176.31 1f96 s TYR 77 N 0.05 3.44 -0.27 3.49 1.51 -0.21 -0.26 117.35 125.10 1f96 s TYR 77 Ca 0.02 1.05 -0.24 0.00 -1.01 0.00 0.00 57.07 56.89 1f96 s TYR 77 Cb -0.04 -2.43 0.08 0.00 -0.11 0.00 0.00 41.96 39.46 1f96 s TYR 77 CO -0.04 0.01 0.75 -1.17 -1.11 0.00 0.00 175.55 173.99 1f96 s LEU 78 N -3.48 -0.75 0.00 -1.29 2.96 -0.85 -0.72 118.68 114.55 1f96 s LEU 78 Ca 0.51 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1f96 s LEU 78 Cb -0.10 2.39 0.00 0.00 0.50 0.00 0.00 46.19 48.98 1f96 s LEU 78 CO 0.26 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 1f96 n GLY 79 N 2.90 0.52 0.00 7.98 0.00 -1.26 -1.81 105.19 113.52 1f96 n GLY 79 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1f96 n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1f96 n GLN 80 N 0.00 0.00 -3.64 1.61 7.27 -1.26 -5.15 117.38 116.22 1f96 n GLN 80 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 1f96 n GLN 80 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 1f96 n GLN 80 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1f96 s VAL 81 N 0.00 -0.00 0.11 1.69 -7.23 -0.75 -4.91 120.40 109.30 1f96 s VAL 81 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 1f96 s VAL 81 Cb 0.00 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 1f96 s VAL 81 CO 0.00 0.00 1.34 0.00 -0.31 0.00 0.00 175.10 176.13 1f96 s ALA 82 N 0.89 3.54 -0.03 1.32 0.00 -0.32 -2.00 121.76 125.16 1f96 s ALA 82 Ca -0.04 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.01 1f96 s ALA 82 Cb -0.05 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1f96 s ALA 82 CO -0.08 -0.56 -0.12 0.42 0.00 0.00 0.00 175.76 175.42 1f96 s ILE 83 N 1.04 3.25 0.00 0.00 1.01 0.64 -2.04 121.20 125.09 1f96 s ILE 83 Ca 0.63 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1f96 s ILE 83 Cb -0.35 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.79 1f96 s ILE 83 CO 0.30 0.51 -0.03 -0.22 0.00 0.00 0.00 174.94 175.51 1f96 s LEU 84 N -1.00 2.04 -0.25 2.97 2.96 0.43 -0.38 118.68 125.45 1f96 s LEU 84 Ca 0.13 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.74 1f96 s LEU 84 Cb -0.11 -0.11 0.07 0.00 0.50 0.00 0.00 46.19 46.54 1f96 s LEU 84 CO 0.03 -0.01 0.65 -0.22 -1.32 0.00 0.00 176.35 175.48 1f96 s LEU 85 N -0.25 -0.66 -0.30 -0.68 2.96 -0.34 -2.09 118.68 117.32 1f96 s LEU 85 Ca -0.01 1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 55.11 1f96 s LEU 85 Cb -0.02 2.24 0.18 0.00 0.50 0.00 0.00 46.19 49.09 1f96 s LEU 85 CO -0.00 -0.23 1.11 0.72 -1.32 0.00 0.00 176.35 176.62 1f96 s PHE 86 N 0.94 -0.36 0.50 5.38 -0.71 -0.58 -1.07 117.98 122.08 1f96 s PHE 86 Ca -0.05 0.70 0.04 0.00 -1.04 0.00 0.00 56.93 56.59 1f96 s PHE 86 Cb -0.05 0.22 0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1f96 s PHE 86 CO -0.08 -0.18 0.69 -1.59 -1.34 0.00 0.00 175.22 172.72 1f96 s LYS 87 N 1.45 2.64 -0.12 1.99 -2.85 -1.14 -0.15 119.74 121.57 1f96 s LYS 87 Ca -0.07 -1.02 -0.06 0.00 -1.00 0.00 0.00 55.97 53.83 1f96 s LYS 87 Cb -0.03 -2.61 0.05 0.00 -2.06 0.00 0.00 37.83 33.18 1f96 s LYS 87 CO -0.14 -0.54 0.27 -1.12 0.10 0.00 0.00 175.35 173.93 1f96 s SER 88 N -4.41 -0.30 0.00 0.03 0.01 0.13 -3.83 113.70 105.33 1f96 s SER 88 Ca 0.57 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1f96 s SER 88 Cb -0.10 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1f96 s SER 88 CO 0.36 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.45