#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 -0.33 0.00 -4.68 0.00 5.75 -1.26 -5.13 116.55 110.90 1f96 n ASP 3 Ca -0.12 0.00 -0.45 0.00 -0.01 0.00 0.00 54.79 54.21 1f96 n ASP 3 Cb 0.59 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.64 1f96 n ASP 3 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1f96 n ARG 4 N -0.00 2.43 -0.60 0.11 0.00 -1.26 -4.86 116.66 112.47 1f96 n ARG 4 Ca 0.00 0.88 -0.03 0.00 -0.00 0.00 0.00 57.85 58.70 1f96 n ARG 4 Cb 0.00 -2.71 0.19 0.00 -0.00 0.00 0.00 32.46 29.94 1f96 n ARG 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1f96 n LYS 5 N 4.77 2.73 -1.69 2.89 0.00 -1.26 -4.95 118.16 120.65 1f96 n LYS 5 Ca 0.18 -1.83 -0.43 0.00 -0.00 0.00 0.00 58.31 56.23 1f96 n LYS 5 Cb 0.32 -1.86 -0.03 0.00 -0.00 0.00 0.00 35.03 33.46 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 0.06 1.96 -2.83 0.58 0.00 -1.26 -4.86 120.51 114.16 1f96 n ALA 6 Ca 0.23 0.32 -0.36 0.00 0.00 0.00 0.00 53.44 53.63 1f96 n ALA 6 Cb 0.95 -2.56 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 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 2.75 5.28 0.35 0.00 -7.23 -0.30 -4.90 120.40 116.35 1f96 s VAL 7 Ca 0.83 0.12 -0.25 0.00 -1.81 0.00 0.00 61.98 60.87 1f96 s VAL 7 Cb -0.52 -3.30 -0.10 0.00 0.56 0.00 0.00 36.38 33.02 1f96 s VAL 7 CO 0.39 0.59 1.00 -0.63 -0.31 0.00 0.00 175.10 176.14 1f96 s ILE 8 N -0.82 3.96 0.00 -0.62 1.09 -1.26 -0.65 121.20 122.90 1f96 s ILE 8 Ca 0.14 1.59 0.00 0.00 -1.10 0.00 0.00 60.65 61.28 1f96 s ILE 8 Cb -0.12 -3.87 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 1f96 s ILE 8 CO 0.03 0.10 0.00 0.29 -0.10 0.00 0.00 174.94 175.26 1f96 n LYS 9 N 0.34 0.43 -2.81 2.79 4.76 0.18 -4.90 118.16 118.96 1f96 n LYS 9 Ca 0.03 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 1f96 n LYS 9 Cb 0.50 -0.80 0.04 0.00 -1.84 0.00 0.00 35.03 32.93 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 0.14 -4.68 4.39 3.02 -1.06 -5.00 115.26 110.11 1f96 n ASN 10 Ca 0.00 -2.85 -0.42 0.00 -0.03 0.00 0.00 54.58 51.28 1f96 n ASN 10 Cb 0.30 0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1f96 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f96 n ALA 11 N -0.04 1.02 -2.68 5.41 0.00 -1.26 -3.59 120.51 119.37 1f96 n ALA 11 Ca 0.10 0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.78 1f96 n ALA 11 Cb 0.77 -2.22 0.08 0.00 0.00 0.00 0.00 19.45 18.09 1f96 n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f96 n ASP 12 N 0.45 -1.56 -3.54 0.00 -0.08 0.35 -4.93 116.55 107.23 1f96 n ASP 12 Ca 0.07 -2.33 -0.08 0.00 -1.51 0.00 0.00 54.79 50.93 1f96 n ASP 12 Cb 0.38 1.29 -0.02 0.00 2.34 0.00 0.00 41.12 45.12 1f96 n ASP 12 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1f96 s MET 13 N 0.12 0.97 0.22 -0.67 1.75 -1.10 -0.55 119.30 120.03 1f96 s MET 13 Ca 0.17 -0.40 -0.31 0.00 -1.25 0.00 0.00 55.69 53.90 1f96 s MET 13 Cb 0.26 0.42 -0.15 0.00 2.84 0.00 0.00 34.83 38.20 1f96 s MET 13 CO -0.11 -0.43 1.14 0.43 -0.65 0.00 0.00 175.02 175.40 1f96 n SER 14 N -0.31 1.48 -0.27 1.11 7.64 -1.26 -4.75 113.62 117.27 1f96 n SER 14 Ca -0.09 1.15 0.07 0.00 1.01 0.00 0.00 58.87 61.01 1f96 n SER 14 Cb 0.62 -1.26 0.21 0.00 -1.01 0.00 0.00 64.21 62.76 1f96 n SER 14 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1f96 h GLU 15 N 3.03 0.40 -0.37 1.43 4.11 -2.00 -0.80 114.58 120.37 1f96 h GLU 15 Ca -0.42 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 58.99 1f96 h GLU 15 Cb 1.33 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1f96 h GLU 15 CO 0.68 0.27 0.24 1.05 0.07 0.00 0.00 179.01 181.31 1f96 h GLU 16 N 0.41 0.48 -0.54 1.06 4.11 -2.00 -2.22 114.58 115.88 1f96 h GLU 16 Ca 0.44 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.86 1f96 h GLU 16 Cb 0.71 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1f96 h GLU 16 CO -0.44 0.32 0.33 0.52 0.07 0.00 0.00 179.01 179.80 1f96 h MET 17 N 0.49 0.64 -0.74 1.06 2.86 -1.54 -2.03 114.93 115.67 1f96 h MET 17 Ca 0.14 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 1f96 h MET 17 Cb -0.05 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.40 1f96 h MET 17 CO -0.04 0.42 0.40 1.96 1.06 0.00 0.00 176.91 180.71 1f96 h GLN 18 N 0.65 0.66 -0.56 1.72 4.20 -0.92 0.75 115.11 121.62 1f96 h GLN 18 Ca 0.22 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1f96 h GLN 18 Cb 0.01 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1f96 h GLN 18 CO -0.09 0.44 0.27 1.96 -0.67 0.00 0.00 178.83 180.74 1f96 h GLN 19 N 0.68 0.80 -0.52 1.46 1.08 -0.80 0.23 115.11 118.04 1f96 h GLN 19 Ca 0.35 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.34 1f96 h GLN 19 Cb 0.32 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1f96 h GLN 19 CO -0.24 0.65 -0.06 -0.44 -0.95 0.00 0.00 178.83 177.78 1f96 h ASP 20 N 0.75 0.92 -0.20 1.46 5.19 -0.68 0.49 116.42 124.36 1f96 h ASP 20 Ca 0.19 -0.27 -0.06 0.00 -0.62 0.00 0.00 57.03 56.27 1f96 h ASP 20 Cb 0.11 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 1f96 h ASP 20 CO -0.03 1.02 -0.12 0.28 -3.12 0.00 0.00 179.24 177.27 1f96 h SER 21 N 0.85 0.44 -0.49 6.45 0.02 -0.55 0.51 113.55 120.78 1f96 h SER 21 Ca 0.14 -0.43 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 1f96 h SER 21 Cb 0.59 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1f96 h SER 21 CO 0.04 0.78 -0.11 0.58 -1.14 0.00 0.00 176.83 176.97 1f96 h VAL 22 N 0.11 1.27 -0.33 2.27 2.07 -0.43 0.17 116.25 121.38 1f96 h VAL 22 Ca 0.04 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 1f96 h VAL 22 Cb 0.62 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1f96 h VAL 22 CO 0.03 0.43 -0.14 -0.08 0.02 0.00 0.00 177.57 177.84 1f96 h GLU 23 N 0.79 0.68 -0.66 1.57 4.57 0.02 -0.77 114.58 120.79 1f96 h GLU 23 Ca 0.12 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 1f96 h GLU 23 Cb 0.66 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1f96 h GLU 23 CO 0.05 0.88 0.16 0.00 -1.18 0.00 0.00 179.01 178.92 1f96 h ALA 25 N 1.18 1.00 -0.45 0.00 0.00 -0.84 -2.51 119.26 117.63 1f96 h ALA 25 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1f96 h ALA 25 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1f96 h ALA 25 CO 0.00 0.59 0.29 1.15 0.00 0.00 0.00 179.25 181.28 1f96 h THR 26 N 0.55 1.13 -0.35 0.00 2.02 -0.56 -1.89 112.91 113.81 1f96 h THR 26 Ca 0.08 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1f96 h THR 26 Cb 0.69 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1f96 h THR 26 CO 0.05 0.13 0.22 1.56 0.37 0.00 0.00 175.52 177.85 1f96 h GLN 27 N 0.60 0.44 -0.81 6.66 4.20 -1.15 -1.97 115.11 123.09 1f96 h GLN 27 Ca 0.16 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.93 1f96 h GLN 27 Cb -0.04 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 1f96 h GLN 27 CO -0.03 0.29 0.53 0.00 -0.67 0.00 0.00 178.83 178.95 1f96 h ALA 28 N 1.13 1.68 -0.03 3.87 0.00 -1.11 0.79 119.26 125.60 1f96 h ALA 28 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1f96 h ALA 28 Cb -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1f96 h ALA 28 CO -0.04 0.17 0.00 -0.07 0.00 0.00 0.00 179.25 179.31 1f96 h LEU 29 N 0.81 0.05 -0.64 0.00 3.38 -0.68 1.19 115.31 119.42 1f96 h LEU 29 Ca 0.36 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1f96 h LEU 29 Cb 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1f96 h LEU 29 CO -0.14 0.35 -0.62 -0.33 0.09 0.00 0.00 178.44 177.79 1f96 h GLU 30 N -0.25 0.22 0.00 1.13 5.08 -0.87 1.24 114.58 121.13 1f96 h GLU 30 Ca 0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1f96 h GLU 30 Cb 0.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1f96 h GLU 30 CO 0.00 0.77 -0.68 0.87 -1.00 0.00 0.00 179.01 178.97 1f96 h LYS 31 N 0.16 0.00 0.00 2.33 1.57 0.64 -3.43 116.57 117.84 1f96 h LYS 31 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1f96 h LYS 31 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1f96 h LYS 31 CO 0.09 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.63 1f96 n TYR 32 N -2.37 0.00 -3.66 -1.35 4.01 0.38 -5.01 117.16 109.17 1f96 n TYR 32 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 1f96 n TYR 32 Cb 0.48 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.55 1f96 n TYR 32 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1f96 n ASN 33 N -1.17 -1.50 -3.71 7.72 0.23 0.43 -4.94 115.26 112.32 1f96 n ASN 33 Ca 0.00 -0.80 -0.13 0.00 -0.53 0.00 0.00 54.58 53.12 1f96 n ASN 33 Cb 0.00 -4.18 -0.13 0.00 -2.08 0.00 0.00 39.78 33.39 1f96 n ASN 33 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1f96 s ILE 34 N -3.63 -0.13 0.21 1.53 1.01 -1.26 -5.01 121.20 113.91 1f96 s ILE 34 Ca 0.03 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 1f96 s ILE 34 Cb -0.01 -0.39 0.17 0.00 0.01 0.00 0.00 42.46 42.24 1f96 s ILE 34 CO 0.80 0.08 1.69 1.05 0.00 0.00 0.00 174.94 178.56 1f96 h GLU 35 N 7.49 0.18 0.40 2.79 4.11 -1.95 -0.52 114.58 127.08 1f96 h GLU 35 Ca -0.34 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.07 1f96 h GLU 35 Cb 1.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1f96 h GLU 35 CO 0.31 0.12 -0.27 -0.22 0.07 0.00 0.00 179.01 179.02 1f96 h LYS 36 N 0.19 -0.63 -0.65 1.06 3.64 -1.97 -2.76 116.57 115.45 1f96 h LYS 36 Ca 0.31 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.82 1f96 h LYS 36 Cb 0.48 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1f96 h LYS 36 CO -0.45 -0.42 0.29 -0.44 -2.27 0.00 0.00 179.45 176.17 1f96 h ASP 37 N -0.65 0.36 -0.86 4.20 3.32 -1.85 -1.43 116.42 119.50 1f96 h ASP 37 Ca -0.04 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.23 1f96 h ASP 37 Cb 0.55 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.01 1f96 h ASP 37 CO 0.03 0.21 0.43 0.40 -1.72 0.00 0.00 179.24 178.60 1f96 h ILE 38 N 0.52 0.70 -0.37 0.35 2.04 -0.91 -0.25 117.51 119.59 1f96 h ILE 38 Ca 0.32 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.87 1f96 h ILE 38 Cb 0.34 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1f96 h ILE 38 CO -0.27 0.11 -0.19 0.00 0.00 0.00 0.00 178.15 177.80 1f96 h ALA 39 N 1.58 0.51 -0.32 1.87 0.00 -1.01 -1.81 119.26 120.08 1f96 h ALA 39 Ca 0.48 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1f96 h ALA 39 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1f96 h ALA 39 CO -0.38 0.46 0.15 0.00 0.00 0.00 0.00 179.25 179.47 1f96 h ALA 40 N 0.79 0.41 0.26 0.00 0.00 -0.58 -0.39 119.26 119.76 1f96 h ALA 40 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1f96 h ALA 40 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1f96 h ALA 40 CO 0.06 -0.01 -0.13 0.45 0.00 0.00 0.00 179.25 179.62 1f96 h HIS 41 N 0.38 -0.32 -0.81 0.00 3.86 -1.12 -2.47 115.15 114.66 1f96 h HIS 41 Ca 0.11 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1f96 h HIS 41 Cb 0.14 0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.67 1f96 h HIS 41 CO -0.01 0.03 0.52 0.82 0.86 0.00 0.00 177.93 180.14 1f96 h ILE 42 N -0.76 1.12 0.29 2.45 2.04 -1.38 -1.81 117.51 119.47 1f96 h ILE 42 Ca -0.04 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1f96 h ILE 42 Cb 0.50 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1f96 h ILE 42 CO 0.06 0.18 -0.14 0.50 0.00 0.00 0.00 178.15 178.75 1f96 h LYS 43 N 1.01 -0.37 -0.50 2.37 3.64 -1.10 -2.43 116.57 119.18 1f96 h LYS 43 Ca 0.33 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1f96 h LYS 43 Cb 0.02 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1f96 h LYS 43 CO -0.12 -0.23 0.25 1.57 -2.27 0.00 0.00 179.45 178.65 1f96 h LYS 44 N -0.42 0.71 -0.37 1.90 2.10 -1.30 0.70 116.57 119.89 1f96 h LYS 44 Ca -0.04 -0.10 0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1f96 h LYS 44 Cb 0.32 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.47 1f96 h LYS 44 CO 0.07 0.59 0.08 0.93 -2.00 0.00 0.00 179.45 179.11 1f96 h GLU 45 N 0.66 0.20 -0.13 0.07 4.39 -1.29 -0.58 114.58 117.89 1f96 h GLU 45 Ca 0.17 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 1f96 h GLU 45 Cb 0.10 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1f96 h GLU 45 CO -0.02 0.13 -0.33 0.74 -1.16 0.00 0.00 179.01 178.37 1f96 h PHE 46 N 0.21 0.59 -0.69 4.33 0.04 -1.30 -0.90 116.94 119.21 1f96 h PHE 46 Ca 0.18 -0.23 0.11 0.00 2.80 0.00 0.00 57.97 60.83 1f96 h PHE 46 Cb 0.20 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 1f96 h PHE 46 CO -0.19 0.95 0.46 -0.44 -0.60 0.00 0.00 178.31 178.50 1f96 h ASP 47 N 0.07 0.46 0.21 2.17 5.19 -0.62 0.90 116.42 124.79 1f96 h ASP 47 Ca -0.00 0.01 -0.34 0.00 -0.62 0.00 0.00 57.03 56.08 1f96 h ASP 47 Cb 0.94 -0.08 0.02 0.00 0.18 0.00 0.00 39.33 40.39 1f96 h ASP 47 CO 0.07 0.26 -1.64 0.50 -3.12 0.00 0.00 179.24 175.32 1f96 h LYS 48 N 0.50 0.45 0.00 3.56 1.63 -1.08 -2.54 116.57 119.09 1f96 h LYS 48 Ca 0.33 -0.77 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1f96 h LYS 48 Cb 0.60 0.29 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 1f96 h LYS 48 CO -0.11 1.37 -0.01 -0.22 -3.45 0.00 0.00 179.45 177.04 1f96 h LYS 49 N 0.11 0.00 0.00 1.90 1.63 -0.53 -3.39 116.57 116.29 1f96 h LYS 49 Ca -0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1f96 h LYS 49 Cb 2.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.75 1f96 h LYS 49 CO 0.21 0.00 -0.54 1.88 -3.45 0.00 0.00 179.45 177.55 1f96 h TYR 50 N -0.96 0.00 0.00 1.91 -1.99 0.54 -3.51 116.97 112.96 1f96 h TYR 50 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1f96 h TYR 50 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1f96 h TYR 50 CO -0.00 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.25 1f96 n ASN 51 N -2.70 -0.16 -4.49 3.88 3.02 -0.33 -4.98 115.26 109.52 1f96 n ASN 51 Ca 0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.29 1f96 n ASN 51 Cb 0.52 0.30 0.25 0.00 -0.61 0.00 0.00 39.78 40.24 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 -4.68 -0.98 -0.18 3.52 0.02 -1.09 -4.51 135.00 127.09 1f96 s PRO 52 Ca 0.00 0.84 -0.00 0.00 0.02 0.00 0.00 61.00 61.86 1f96 s PRO 52 Cb 0.00 -1.55 0.01 0.00 0.02 0.00 0.00 34.50 32.98 1f96 s PRO 52 CO 0.00 -3.76 -0.15 -0.08 -0.33 0.00 0.00 177.00 172.68 1f96 s THR 53 N -2.46 2.55 -0.17 0.99 -1.32 -0.80 -4.72 115.64 109.71 1f96 s THR 53 Ca 0.68 -0.78 -0.16 0.00 -1.21 0.00 0.00 61.69 60.23 1f96 s THR 53 Cb -0.25 -2.10 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 1f96 s THR 53 CO 0.65 0.50 0.38 0.26 -2.21 0.00 0.00 174.62 174.19 1f96 s TRP 54 N 1.21 3.43 -0.14 9.09 0.52 -1.26 -0.28 118.94 131.51 1f96 s TRP 54 Ca 0.02 0.66 -0.07 0.00 0.02 0.00 0.00 56.10 56.73 1f96 s TRP 54 Cb -0.14 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 1f96 s TRP 54 CO -0.07 0.11 0.11 -1.01 0.02 0.00 0.00 176.95 176.11 1f96 s HIS 55 N 0.88 3.46 0.03 -1.98 3.76 0.82 -4.92 115.29 117.34 1f96 s HIS 55 Ca 0.19 0.38 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 1f96 s HIS 55 Cb -0.14 -1.99 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 1f96 s HIS 55 CO 0.07 0.53 -0.08 0.00 -0.85 0.00 0.00 174.74 174.41 1f96 s ILE 57 N -1.14 -0.02 -0.08 0.00 1.01 -0.75 -4.98 121.20 115.24 1f96 s ILE 57 Ca -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1f96 s ILE 57 Cb -0.09 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 41.97 1f96 s ILE 57 CO 0.00 0.03 0.19 -0.69 0.00 0.00 0.00 174.94 174.47 1f96 s VAL 58 N 0.72 -0.03 0.00 2.92 1.01 -1.26 0.95 120.40 124.71 1f96 s VAL 58 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1f96 s VAL 58 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1f96 s VAL 58 CO -0.05 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1f96 n GLY 59 N 3.81 -0.66 1.62 4.51 0.00 -0.85 -4.70 105.19 108.91 1f96 n GLY 59 Ca -0.21 0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.07 0.00 1.61 1.85 -1.26 -0.85 116.66 118.07 1f96 n ARG 60 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1f96 n ARG 60 Cb 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 32.46 31.43 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 -0.10 0.00 -3.64 2.89 4.05 -1.26 -5.02 115.26 112.17 1f96 n ASN 61 Ca -0.03 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.95 1f96 n ASN 61 Cb 0.52 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 -0.35 0.15 1.20 -0.12 -1.26 -5.17 117.98 112.43 1f96 s PHE 62 Ca 0.00 0.81 -0.04 0.00 -0.05 0.00 0.00 56.93 57.64 1f96 s PHE 62 Cb 0.00 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1f96 s PHE 62 CO 0.00 -0.17 0.38 0.20 -0.05 0.00 0.00 175.22 175.58 1f96 s GLY 63 N 0.45 2.19 -0.06 1.99 0.00 -1.26 -5.10 107.32 105.54 1f96 s GLY 63 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 1f96 s GLY 63 CO -0.11 -0.51 0.88 -1.35 0.00 0.00 0.00 173.10 172.01 1f96 s SER 64 N -2.51 -0.42 -0.01 1.64 1.04 -1.26 -5.16 113.70 107.02 1f96 s SER 64 Ca 0.41 0.25 0.01 0.00 0.48 0.00 0.00 55.95 57.09 1f96 s SER 64 Cb -0.12 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1f96 s SER 64 CO 0.25 -0.53 -0.02 -0.31 0.98 0.00 0.00 173.24 173.61 1f96 s TYR 65 N -2.14 0.23 0.13 5.02 2.02 -1.26 -5.16 117.35 116.19 1f96 s TYR 65 Ca 0.00 -0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.50 1f96 s TYR 65 Cb -0.01 -0.20 0.04 0.00 -0.40 0.00 0.00 41.96 41.40 1f96 s TYR 65 CO -0.03 -0.03 0.45 0.08 -1.57 0.00 0.00 175.55 174.45 1f96 s VAL 66 N 0.21 0.05 0.08 0.71 1.01 -1.26 -5.17 120.40 116.03 1f96 s VAL 66 Ca -0.02 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1f96 s VAL 66 Cb -0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1f96 s VAL 66 CO -0.01 -0.24 -0.20 -0.89 0.00 0.00 0.00 175.10 173.77 1f96 s THR 67 N -3.75 2.70 -0.05 3.92 2.01 -1.26 -5.13 115.64 114.09 1f96 s THR 67 Ca 0.02 -1.40 -0.29 0.00 0.31 0.00 0.00 61.69 60.33 1f96 s THR 67 Cb 0.01 -2.18 0.10 0.00 0.01 0.00 0.00 72.50 70.44 1f96 s THR 67 CO -0.12 0.21 0.84 -1.38 -0.69 0.00 0.00 174.62 173.48 1f96 s HIS 68 N -1.03 -0.45 0.37 4.92 -3.43 -1.26 -4.95 115.29 109.47 1f96 s HIS 68 Ca 0.16 0.57 -0.28 0.00 -0.80 0.00 0.00 55.06 54.71 1f96 s HIS 68 Cb -0.10 0.48 -0.11 0.00 -1.43 0.00 0.00 32.58 31.42 1f96 s HIS 68 CO 0.07 -0.53 1.45 -1.91 -2.00 0.00 0.00 174.74 171.83 1f96 n GLU 69 N 0.32 2.58 -1.61 -0.38 4.07 -1.25 -4.94 120.64 119.43 1f96 n GLU 69 Ca -0.12 0.91 -0.37 0.00 -0.06 0.00 0.00 57.16 57.52 1f96 n GLU 69 Cb 0.60 -2.61 0.08 0.00 -0.06 0.00 0.00 31.44 29.44 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 0.41 4.30 -3.08 6.31 -2.24 -1.26 -3.03 114.28 115.68 1f96 n THR 70 Ca 0.02 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 1f96 n THR 70 Cb 0.38 -1.38 0.04 0.00 -2.10 0.00 0.00 70.33 67.28 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 -1.95 -4.91 -2.78 -0.78 4.76 -1.26 -4.93 118.16 106.32 1f96 n LYS 71 Ca 0.15 0.68 -0.10 0.00 -2.87 0.00 0.00 58.31 56.17 1f96 n LYS 71 Cb 0.48 -5.13 0.08 0.00 -1.84 0.00 0.00 35.03 28.62 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 -4.33 -2.03 -3.58 2.13 8.25 -0.84 -4.56 115.22 110.27 1f96 n HIS 72 Ca -0.04 -2.35 -0.16 0.00 -0.26 0.00 0.00 57.72 54.90 1f96 n HIS 72 Cb 0.57 1.19 -0.07 0.00 1.12 0.00 0.00 29.99 32.80 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 -0.39 -0.73 -0.28 4.41 2.19 0.29 -2.70 117.98 120.78 1f96 s PHE 73 Ca 0.25 1.54 -0.16 0.00 0.33 0.00 0.00 56.93 58.89 1f96 s PHE 73 Cb 0.34 0.34 0.08 0.00 -1.31 0.00 0.00 43.02 42.47 1f96 s PHE 73 CO -0.06 -0.49 0.69 -1.50 1.83 0.00 0.00 175.22 175.69 1f96 s ILE 74 N -0.38 -0.04 -0.05 3.12 2.07 0.40 -0.49 121.20 125.83 1f96 s ILE 74 Ca -0.05 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1f96 s ILE 74 Cb -0.03 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1f96 s ILE 74 CO 0.05 0.00 -0.17 -0.47 -1.91 0.00 0.00 174.94 172.44 1f96 s TYR 75 N 1.69 1.76 -0.28 3.50 5.04 -1.24 -1.71 117.35 126.11 1f96 s TYR 75 Ca -0.10 -0.56 -0.23 0.00 -2.44 0.00 0.00 57.07 53.75 1f96 s TYR 75 Cb -0.05 -1.20 0.11 0.00 0.35 0.00 0.00 41.96 41.17 1f96 s TYR 75 CO -0.20 -0.21 0.93 -0.59 -1.34 0.00 0.00 175.55 174.14 1f96 s PHE 76 N 0.19 -0.61 0.60 4.97 -0.71 -0.40 -0.64 117.98 121.38 1f96 s PHE 76 Ca -0.08 1.40 -0.16 0.00 -1.04 0.00 0.00 56.93 57.05 1f96 s PHE 76 Cb -0.13 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 1f96 s PHE 76 CO 0.03 -0.30 1.06 0.71 -1.34 0.00 0.00 175.22 175.39 1f96 s TYR 77 N 0.58 2.96 -0.28 3.49 2.02 0.18 -1.08 117.35 125.22 1f96 s TYR 77 Ca -0.01 1.51 -0.18 0.00 -0.37 0.00 0.00 57.07 58.02 1f96 s TYR 77 Cb -0.05 -3.02 0.09 0.00 -0.40 0.00 0.00 41.96 38.58 1f96 s TYR 77 CO -0.08 -1.16 0.76 -1.17 -1.57 0.00 0.00 175.55 172.34 1f96 s LEU 78 N -4.52 -0.81 0.00 -1.29 2.96 -0.74 -1.15 118.68 113.12 1f96 s LEU 78 Ca 0.64 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1f96 s LEU 78 Cb -0.16 2.28 0.00 0.00 0.50 0.00 0.00 46.19 48.81 1f96 s LEU 78 CO 0.37 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.79 1f96 n GLY 79 N 3.77 0.54 0.00 7.98 0.00 -1.26 -1.71 105.19 114.50 1f96 n GLY 79 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1f96 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f96 n GLN 80 N 0.00 0.00 -3.64 1.61 10.64 -1.26 -5.15 117.38 119.59 1f96 n GLN 80 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 1f96 n GLN 80 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 1f96 n GLN 80 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1f96 s VAL 81 N 0.00 0.00 0.04 -0.39 -7.23 -0.69 -4.88 120.40 107.25 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 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 1f96 s VAL 81 CO 0.00 0.00 1.41 0.00 -0.31 0.00 0.00 175.10 176.20 1f96 s ALA 82 N 0.95 3.58 -0.12 1.32 0.00 -0.03 -1.79 121.76 125.67 1f96 s ALA 82 Ca -0.04 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1f96 s ALA 82 Cb -0.05 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1f96 s ALA 82 CO -0.09 -0.81 0.01 0.42 0.00 0.00 0.00 175.76 175.28 1f96 s ILE 83 N 1.97 4.36 0.00 0.00 1.01 -0.24 -2.01 121.20 126.29 1f96 s ILE 83 Ca 0.65 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 61.13 1f96 s ILE 83 Cb -0.34 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 1f96 s ILE 83 CO 0.28 0.56 -0.16 -0.22 0.00 0.00 0.00 174.94 175.41 1f96 s LEU 84 N -0.45 2.07 -0.23 2.97 2.96 0.27 -1.27 118.68 124.99 1f96 s LEU 84 Ca 0.08 -0.33 -0.20 0.00 -0.22 0.00 0.00 54.13 53.46 1f96 s LEU 84 Cb -0.12 -0.78 0.06 0.00 0.50 0.00 0.00 46.19 45.85 1f96 s LEU 84 CO 0.02 0.16 0.60 -0.22 -1.32 0.00 0.00 176.35 175.60 1f96 s LEU 85 N -0.56 -0.36 -0.30 -0.68 2.96 -0.69 -1.82 118.68 117.23 1f96 s LEU 85 Ca 0.05 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 55.03 1f96 s LEU 85 Cb -0.06 2.07 0.20 0.00 0.50 0.00 0.00 46.19 48.90 1f96 s LEU 85 CO -0.00 -0.21 1.25 0.72 -1.32 0.00 0.00 176.35 176.79 1f96 s PHE 86 N 0.50 -0.10 0.49 5.38 -0.71 -0.58 -0.45 117.98 122.50 1f96 s PHE 86 Ca -0.01 0.19 0.04 0.00 -1.04 0.00 0.00 56.93 56.12 1f96 s PHE 86 Cb -0.05 0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.85 1f96 s PHE 86 CO -0.02 -0.05 0.68 -1.59 -1.34 0.00 0.00 175.22 172.90 1f96 s LYS 87 N 1.37 2.66 -0.12 1.99 0.00 -1.10 -0.13 119.74 124.42 1f96 s LYS 87 Ca -0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 55.97 54.81 1f96 s LYS 87 Cb -0.02 -2.61 0.04 0.00 0.00 0.00 0.00 37.83 35.23 1f96 s LYS 87 CO -0.12 -0.52 0.30 0.45 0.00 0.00 0.00 175.35 175.47 1f96 s SER 88 N -4.40 -0.33 0.00 0.03 0.15 0.62 -3.97 113.70 105.80 1f96 s SER 88 Ca 0.56 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1f96 s SER 88 Cb -0.10 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1f96 s SER 88 CO 0.36 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.28