#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 2.14 3.99 -4.67 0.00 5.75 -1.26 -4.88 116.55 117.61 1f96 n ASP 3 Ca 0.08 1.06 -0.43 0.00 -0.01 0.00 0.00 54.79 55.50 1f96 n ASP 3 Cb 0.37 -1.57 -0.03 0.00 -1.03 0.00 0.00 41.12 38.86 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 3.94 2.80 -0.04 0.11 0.00 -1.26 -4.90 116.66 117.31 1f96 n ARG 4 Ca 0.16 1.02 -0.14 0.00 -0.00 0.00 0.00 57.85 58.89 1f96 n ARG 4 Cb 0.35 -2.95 -0.09 0.00 -0.00 0.00 0.00 32.46 29.77 1f96 n ARG 4 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1f96 h LYS 5 N 9.70 0.24 -5.83 2.89 -0.00 -1.94 -3.49 116.57 118.15 1f96 h LYS 5 Ca -0.48 -0.16 -0.17 0.00 -0.00 0.00 0.00 60.65 59.84 1f96 h LYS 5 Cb 1.24 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 1f96 h LYS 5 CO 0.94 0.76 -0.48 0.00 -0.00 0.00 0.00 179.45 180.68 1f96 n ALA 6 N -2.45 -2.65 -1.77 0.07 0.00 -1.26 -4.91 120.51 107.55 1f96 n ALA 6 Ca -0.08 0.14 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 1f96 n ALA 6 Cb 0.39 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.81 3.11 -0.03 0.00 -7.23 0.15 -4.84 120.40 108.76 1f96 s VAL 7 Ca 0.07 1.08 0.05 0.00 -1.81 0.00 0.00 61.98 61.38 1f96 s VAL 7 Cb -0.01 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 1f96 s VAL 7 CO 0.80 0.23 -0.18 -0.63 -0.31 0.00 0.00 175.10 175.02 1f96 s ILE 8 N -1.20 1.47 -0.07 -0.62 1.01 -1.26 0.23 121.20 120.75 1f96 s ILE 8 Ca 0.48 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1f96 s ILE 8 Cb -0.35 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1f96 s ILE 8 CO 0.45 0.42 -0.12 0.29 0.00 0.00 0.00 174.94 175.98 1f96 n LYS 9 N 2.86 0.20 -3.98 2.79 4.76 -0.90 -5.00 118.16 118.88 1f96 n LYS 9 Ca -0.16 0.08 -0.34 0.00 -2.87 0.00 0.00 58.31 55.02 1f96 n LYS 9 Cb 0.53 -0.83 -0.06 0.00 -1.84 0.00 0.00 35.03 32.83 1f96 n LYS 9 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1f96 s ASN 10 N -5.88 6.11 -0.40 4.39 0.02 -0.97 -4.96 114.94 113.25 1f96 s ASN 10 Ca -0.12 0.31 0.07 0.00 -1.02 0.00 0.00 52.86 52.10 1f96 s ASN 10 Cb 0.04 -1.88 0.33 0.00 0.02 0.00 0.00 41.25 39.76 1f96 s ASN 10 CO 0.16 0.31 1.28 0.00 0.02 0.00 0.00 177.10 178.88 1f96 n ALA 11 N 1.35 0.32 -1.01 0.60 0.00 -1.26 -1.17 120.51 119.34 1f96 n ALA 11 Ca -0.14 -1.18 -0.26 0.00 0.00 0.00 0.00 53.44 51.86 1f96 n ALA 11 Cb 0.53 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1f96 n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1f96 n ASP 12 N -0.41 6.46 -3.51 0.00 9.92 0.21 -4.77 116.55 124.45 1f96 n ASP 12 Ca -0.05 -2.43 -0.09 0.00 -0.53 0.00 0.00 54.79 51.70 1f96 n ASP 12 Cb 0.80 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.94 1f96 n ASP 12 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1f96 s MET 13 N 2.34 0.95 0.29 -1.24 1.75 -1.20 0.10 119.30 122.29 1f96 s MET 13 Ca 0.57 -0.37 -0.26 0.00 -1.25 0.00 0.00 55.69 54.37 1f96 s MET 13 Cb 0.18 0.42 -0.15 0.00 2.84 0.00 0.00 34.83 38.12 1f96 s MET 13 CO -0.04 -0.42 0.64 0.43 -0.65 0.00 0.00 175.02 174.98 1f96 n SER 14 N -0.29 -0.52 -0.16 1.11 7.64 -1.26 -4.67 113.62 115.47 1f96 n SER 14 Ca -0.10 1.07 -0.02 0.00 1.01 0.00 0.00 58.87 60.83 1f96 n SER 14 Cb 0.62 -1.08 0.07 0.00 -1.01 0.00 0.00 64.21 62.81 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 1.20 0.25 -0.66 1.43 4.11 -1.99 -1.15 114.58 117.78 1f96 h GLU 15 Ca -0.35 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.09 1f96 h GLU 15 Cb 1.40 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1f96 h GLU 15 CO 0.56 0.17 0.42 1.05 0.07 0.00 0.00 179.01 181.28 1f96 h GLU 16 N 0.26 0.82 -0.14 1.06 4.11 -1.98 0.83 114.58 119.53 1f96 h GLU 16 Ca 0.25 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 1f96 h GLU 16 Cb 0.32 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1f96 h GLU 16 CO -0.31 0.54 0.07 0.52 0.07 0.00 0.00 179.01 179.90 1f96 h MET 17 N 0.84 0.20 -0.74 1.06 2.86 -1.71 0.12 114.93 117.55 1f96 h MET 17 Ca 0.25 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1f96 h MET 17 Cb -0.03 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1f96 h MET 17 CO -0.08 0.23 0.25 -0.56 1.06 0.00 0.00 176.91 177.80 1f96 h GLN 18 N 0.11 1.13 -0.56 1.72 3.07 -0.97 -1.88 115.11 117.75 1f96 h GLN 18 Ca 0.05 -0.23 -0.11 0.00 0.09 0.00 0.00 58.65 58.45 1f96 h GLN 18 Cb 0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 27.48 27.46 1f96 h GLN 18 CO -0.01 0.95 -0.07 1.96 0.09 0.00 0.00 178.83 181.76 1f96 h GLN 19 N 1.09 1.02 -0.44 0.06 1.08 -0.61 -2.28 115.11 115.03 1f96 h GLN 19 Ca 0.24 -0.35 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 1f96 h GLN 19 Cb 0.28 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1f96 h GLN 19 CO -0.01 1.04 0.08 0.22 -0.95 0.00 0.00 178.83 179.21 1f96 h ASP 20 N 0.92 0.62 -0.30 1.46 1.82 -0.44 -0.46 116.42 120.04 1f96 h ASP 20 Ca 0.15 -0.11 -0.07 0.00 -0.39 0.00 0.00 57.03 56.61 1f96 h ASP 20 Cb 0.62 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1f96 h ASP 20 CO 0.04 0.64 -0.09 0.28 -1.61 0.00 0.00 179.24 178.50 1f96 h SER 21 N 0.65 0.60 -0.26 2.28 0.02 -1.08 0.59 113.55 116.34 1f96 h SER 21 Ca 0.14 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1f96 h SER 21 Cb 0.28 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1f96 h SER 21 CO 0.00 0.84 0.12 0.58 -1.14 0.00 0.00 176.83 177.23 1f96 h VAL 22 N 0.35 1.15 -0.28 2.27 2.07 -1.06 0.84 116.25 121.59 1f96 h VAL 22 Ca 0.07 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1f96 h VAL 22 Cb 0.58 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1f96 h VAL 22 CO 0.03 0.16 -0.13 -0.33 0.02 0.00 0.00 177.57 177.32 1f96 h GLU 23 N 0.28 0.59 -0.18 1.57 5.08 -1.05 -1.59 114.58 119.28 1f96 h GLU 23 Ca 0.09 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1f96 h GLU 23 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1f96 h GLU 23 CO -0.01 0.82 -0.19 0.00 -1.00 0.00 0.00 179.01 178.63 1f96 h ALA 25 N 1.52 0.69 -0.15 0.00 0.00 0.89 -2.18 119.26 120.03 1f96 h ALA 25 Ca 0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1f96 h ALA 25 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1f96 h ALA 25 CO 0.03 0.67 0.09 1.15 0.00 0.00 0.00 179.25 181.19 1f96 h THR 26 N 0.63 1.06 -0.95 0.00 2.02 -0.84 -2.03 112.91 112.80 1f96 h THR 26 Ca 0.05 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1f96 h THR 26 Cb 0.96 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1f96 h THR 26 CO 0.09 0.06 0.62 1.56 0.37 0.00 0.00 175.52 178.22 1f96 h GLN 27 N 0.18 1.17 -0.63 6.66 4.20 -1.38 -2.00 115.11 123.32 1f96 h GLN 27 Ca 0.05 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.77 1f96 h GLN 27 Cb 0.01 -0.26 -0.06 0.00 0.30 0.00 0.00 27.48 27.46 1f96 h GLN 27 CO -0.01 0.78 0.30 0.00 -0.67 0.00 0.00 178.83 179.22 1f96 h ALA 28 N 1.39 0.83 -0.04 3.87 0.00 -0.81 0.54 119.26 125.04 1f96 h ALA 28 Ca 0.38 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1f96 h ALA 28 Cb -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1f96 h ALA 28 CO -0.12 -0.08 0.02 -0.07 0.00 0.00 0.00 179.25 179.00 1f96 h LEU 29 N 0.54 0.05 -1.12 0.00 3.38 -0.69 1.11 115.31 118.58 1f96 h LEU 29 Ca 0.30 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1f96 h LEU 29 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1f96 h LEU 29 CO -0.24 0.10 -0.43 1.05 0.09 0.00 0.00 178.44 179.01 1f96 h GLU 30 N -0.01 0.01 0.09 1.13 4.11 -1.05 0.96 114.58 119.82 1f96 h GLU 30 Ca 0.01 -0.01 -0.28 0.00 0.07 0.00 0.00 59.36 59.16 1f96 h GLU 30 Cb 0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1f96 h GLU 30 CO -0.00 0.45 -1.40 0.87 0.07 0.00 0.00 179.01 178.99 1f96 h LYS 31 N 0.01 0.19 0.00 1.06 1.57 0.41 -3.43 116.57 116.38 1f96 h LYS 31 Ca -0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1f96 h LYS 31 Cb 0.77 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1f96 h LYS 31 CO 0.06 1.06 -0.59 0.66 -0.57 0.00 0.00 179.45 180.07 1f96 n TYR 32 N -3.41 0.00 -3.08 -1.35 4.02 0.38 -5.05 117.16 108.66 1f96 n TYR 32 Ca -0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.64 1f96 n TYR 32 Cb 1.02 0.11 0.06 0.00 -0.02 0.00 0.00 39.34 40.51 1f96 n TYR 32 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1f96 n ASN 33 N -2.47 -3.24 -3.67 7.72 5.15 0.33 -4.97 115.26 114.10 1f96 n ASN 33 Ca 0.00 -0.40 -0.10 0.00 -0.60 0.00 0.00 54.58 53.49 1f96 n ASN 33 Cb 0.29 -3.60 -0.10 0.00 -0.53 0.00 0.00 39.78 35.84 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 -3.23 -0.38 0.29 -1.44 1.01 -1.26 -5.03 121.20 111.16 1f96 s ILE 34 Ca 0.16 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.99 1f96 s ILE 34 Cb -0.07 -0.62 0.31 0.00 0.01 0.00 0.00 42.46 42.09 1f96 s ILE 34 CO 0.49 0.06 1.65 1.05 0.00 0.00 0.00 174.94 178.20 1f96 h GLU 35 N 7.77 0.22 0.22 2.79 9.09 -1.96 0.30 114.58 133.01 1f96 h GLU 35 Ca -0.24 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.15 1f96 h GLU 35 Cb 1.14 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1f96 h GLU 35 CO 0.19 0.14 -0.11 -0.22 0.05 0.00 0.00 179.01 179.07 1f96 h LYS 36 N 0.23 -0.29 -0.59 1.06 3.64 -1.97 -2.94 116.57 115.71 1f96 h LYS 36 Ca 0.55 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 60.02 1f96 h LYS 36 Cb 1.12 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1f96 h LYS 36 CO -0.64 0.03 0.28 -0.44 -2.27 0.00 0.00 179.45 176.41 1f96 h ASP 37 N -0.64 0.38 -0.27 4.20 5.19 -1.64 -1.42 116.42 122.22 1f96 h ASP 37 Ca -0.03 0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.49 1f96 h ASP 37 Cb 0.46 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 1f96 h ASP 37 CO 0.05 0.24 -0.20 0.40 -3.12 0.00 0.00 179.24 176.61 1f96 h ILE 38 N 0.52 0.46 0.00 0.35 2.04 -0.48 -0.84 117.51 119.56 1f96 h ILE 38 Ca 0.27 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.08 1f96 h ILE 38 Cb 0.23 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1f96 h ILE 38 CO -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 177.70 1f96 h ALA 39 N 0.94 1.49 0.31 1.87 0.00 -1.27 -2.16 119.26 120.44 1f96 h ALA 39 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1f96 h ALA 39 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1f96 h ALA 39 CO -0.38 0.30 -0.15 0.00 0.00 0.00 0.00 179.25 179.02 1f96 h ALA 40 N 1.76 -0.71 -0.10 0.00 0.00 -0.09 -1.47 119.26 118.66 1f96 h ALA 40 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1f96 h ALA 40 Cb 0.45 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1f96 h ALA 40 CO 0.03 -0.68 0.06 1.12 0.00 0.00 0.00 179.25 179.78 1f96 h HIS 41 N -0.61 0.13 -0.96 0.00 2.07 -1.47 -2.63 115.15 111.68 1f96 h HIS 41 Ca -0.04 -0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.51 1f96 h HIS 41 Cb 0.31 -0.04 -0.06 0.00 2.57 0.00 0.00 27.41 30.20 1f96 h HIS 41 CO 0.07 0.14 0.63 0.82 -3.07 0.00 0.00 177.93 176.52 1f96 h ILE 42 N 0.08 1.16 0.13 6.12 2.04 -1.53 -2.23 117.51 123.29 1f96 h ILE 42 Ca 0.03 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1f96 h ILE 42 Cb 0.05 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 35.97 1f96 h ILE 42 CO -0.01 0.22 -0.14 0.50 0.00 0.00 0.00 178.15 178.72 1f96 h LYS 43 N 1.20 -0.29 -0.89 2.37 1.63 -0.99 -2.28 116.57 117.32 1f96 h LYS 43 Ca 0.38 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.22 1f96 h LYS 43 Cb 0.02 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 1f96 h LYS 43 CO -0.12 -0.19 0.58 0.87 -3.45 0.00 0.00 179.45 177.14 1f96 h LYS 44 N -0.30 1.13 -0.15 1.90 1.57 -1.19 0.16 116.57 119.68 1f96 h LYS 44 Ca 0.01 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1f96 h LYS 44 Cb 0.29 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1f96 h LYS 44 CO -0.04 0.75 -0.06 0.93 -0.57 0.00 0.00 179.45 180.45 1f96 h GLU 45 N 1.16 -0.04 -0.15 3.15 4.39 -1.11 -0.21 114.58 121.77 1f96 h GLU 45 Ca 0.34 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.99 1f96 h GLU 45 Cb -0.07 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1f96 h GLU 45 CO -0.10 -0.03 -0.12 0.74 -1.16 0.00 0.00 179.01 178.35 1f96 h PHE 46 N -0.04 0.41 -0.95 4.33 0.04 -1.13 -1.17 116.94 118.44 1f96 h PHE 46 Ca 0.08 -0.11 0.10 0.00 2.80 0.00 0.00 57.97 60.84 1f96 h PHE 46 Cb 0.16 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.15 1f96 h PHE 46 CO -0.21 0.71 0.59 -0.44 -0.60 0.00 0.00 178.31 178.36 1f96 h ASP 47 N -0.00 0.87 -0.02 2.17 3.32 -0.82 0.22 116.42 122.16 1f96 h ASP 47 Ca 0.03 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1f96 h ASP 47 Cb 0.62 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.05 1f96 h ASP 47 CO 0.03 0.49 -0.73 0.50 -1.72 0.00 0.00 179.24 177.82 1f96 h LYS 48 N 0.97 0.53 0.00 3.56 1.63 -1.01 -2.26 116.57 119.99 1f96 h LYS 48 Ca 0.45 -0.54 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1f96 h LYS 48 Cb 0.39 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1f96 h LYS 48 CO -0.24 1.17 0.00 1.63 -3.45 0.00 0.00 179.45 178.56 1f96 n LYS 49 N -4.10 0.00 0.11 1.90 5.02 -0.45 -4.27 118.16 116.37 1f96 n LYS 49 Ca -0.10 0.49 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1f96 n LYS 49 Cb 0.73 -1.02 0.46 0.00 -0.02 0.00 0.00 35.03 35.17 1f96 n LYS 49 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1f96 n TYR 50 N -1.96 0.80 0.00 2.13 4.02 0.71 -5.01 117.16 117.85 1f96 n TYR 50 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1f96 n TYR 50 Cb 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 39.34 38.37 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 -2.19 -0.27 -4.37 7.72 5.03 -0.75 -4.99 115.26 115.43 1f96 n ASN 51 Ca 0.04 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.20 1f96 n ASN 51 Cb 0.31 0.45 0.23 0.00 -1.02 0.00 0.00 39.78 39.74 1f96 n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1f96 s PRO 52 N -4.88 -0.68 -0.18 3.52 0.04 -0.92 -4.54 135.00 127.36 1f96 s PRO 52 Ca 0.00 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.51 1f96 s PRO 52 Cb 0.00 -1.61 -0.00 0.00 0.04 0.00 0.00 34.50 32.93 1f96 s PRO 52 CO 0.00 -3.47 -0.13 -0.08 0.04 0.00 0.00 177.00 173.36 1f96 s THR 53 N -2.73 2.80 -0.03 1.26 -1.32 -0.94 -4.71 115.64 109.97 1f96 s THR 53 Ca 0.68 -0.71 -0.15 0.00 -1.21 0.00 0.00 61.69 60.30 1f96 s THR 53 Cb -0.19 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.53 1f96 s THR 53 CO 0.60 0.49 0.40 0.26 -2.21 0.00 0.00 174.62 174.16 1f96 s TRP 54 N 1.07 3.67 -0.11 9.09 0.52 -1.26 -0.25 118.94 131.67 1f96 s TRP 54 Ca -0.00 0.93 -0.00 0.00 0.02 0.00 0.00 56.10 57.05 1f96 s TRP 54 Cb -0.15 -2.32 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 1f96 s TRP 54 CO -0.03 0.54 -0.08 -1.01 0.02 0.00 0.00 176.95 176.39 1f96 s HIS 55 N -0.69 2.90 0.04 -1.98 3.76 0.10 -4.92 115.29 114.50 1f96 s HIS 55 Ca 0.23 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.91 1f96 s HIS 55 Cb -0.16 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 1f96 s HIS 55 CO 0.12 0.07 -0.09 0.00 -0.85 0.00 0.00 174.74 173.99 1f96 s ILE 57 N -1.03 -0.01 -0.18 0.00 -1.09 -0.79 -4.99 121.20 113.13 1f96 s ILE 57 Ca -0.05 0.03 -0.13 0.00 -2.23 0.00 0.00 60.65 58.27 1f96 s ILE 57 Cb -0.08 -0.37 0.05 0.00 -1.58 0.00 0.00 42.46 40.48 1f96 s ILE 57 CO 0.01 0.01 0.45 -0.69 -1.23 0.00 0.00 174.94 173.48 1f96 s VAL 58 N 0.35 -0.01 -0.04 2.92 1.01 -1.26 0.51 120.40 123.88 1f96 s VAL 58 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1f96 s VAL 58 Cb -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1f96 s VAL 58 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1f96 n GLY 59 N 3.49 -1.00 2.13 4.51 0.00 -0.83 -4.71 105.19 108.78 1f96 n GLY 59 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1f96 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f96 n ARG 60 N 0.00 0.93 0.00 1.61 1.74 -1.26 -1.69 116.66 117.99 1f96 n ARG 60 Ca 0.00 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 55.88 1f96 n ARG 60 Cb 0.00 0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 1f96 n ARG 60 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1f96 n ASN 61 N -1.02 0.00 -3.63 0.55 5.15 -1.26 -5.07 115.26 109.98 1f96 n ASN 61 Ca -0.20 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.65 1f96 n ASN 61 Cb 0.82 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 40.00 1f96 n ASN 61 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1f96 s PHE 62 N 0.00 -0.81 -0.07 1.20 -0.71 -1.26 -5.16 117.98 111.18 1f96 s PHE 62 Ca 0.00 1.92 0.05 0.00 -1.04 0.00 0.00 56.93 57.86 1f96 s PHE 62 Cb 0.00 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.12 1f96 s PHE 62 CO 0.00 -0.39 -0.24 0.20 -1.34 0.00 0.00 175.22 173.45 1f96 s GLY 63 N 0.54 1.26 0.24 1.99 0.00 -1.26 -5.13 107.32 104.96 1f96 s GLY 63 Ca -0.01 -0.98 -0.21 0.00 0.00 0.00 0.00 44.72 43.52 1f96 s GLY 63 CO -0.02 -0.52 0.66 -1.35 0.00 0.00 0.00 173.10 171.88 1f96 s SER 64 N 0.01 -0.33 0.02 1.64 1.04 -1.26 -5.17 113.70 109.65 1f96 s SER 64 Ca -0.08 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1f96 s SER 64 Cb -0.15 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1f96 s SER 64 CO 0.05 -1.22 -0.08 -0.31 0.98 0.00 0.00 173.24 172.66 1f96 s TYR 65 N -3.88 0.70 0.16 5.02 1.51 -1.26 -5.16 117.35 114.44 1f96 s TYR 65 Ca 0.09 -0.27 -0.19 0.00 -1.01 0.00 0.00 57.07 55.70 1f96 s TYR 65 Cb -0.04 -0.43 0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1f96 s TYR 65 CO 0.01 -0.03 0.51 0.08 -1.11 0.00 0.00 175.55 175.01 1f96 s VAL 66 N -0.64 0.03 0.05 0.71 1.01 -1.26 -5.17 120.40 115.14 1f96 s VAL 66 Ca -0.02 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1f96 s VAL 66 Cb -0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1f96 s VAL 66 CO 0.00 -0.15 -0.22 -0.89 0.00 0.00 0.00 175.10 173.84 1f96 s THR 67 N -3.82 2.52 -0.14 3.92 2.01 -1.26 -5.13 115.64 113.74 1f96 s THR 67 Ca 0.05 -1.33 -0.29 0.00 0.31 0.00 0.00 61.69 60.43 1f96 s THR 67 Cb -0.00 -2.05 0.10 0.00 0.01 0.00 0.00 72.50 70.56 1f96 s THR 67 CO -0.09 0.31 0.86 -1.38 -0.69 0.00 0.00 174.62 173.63 1f96 s HIS 68 N -0.91 -0.53 0.42 4.92 -3.43 -1.26 -4.95 115.29 109.55 1f96 s HIS 68 Ca 0.14 1.00 -0.26 0.00 -0.80 0.00 0.00 55.06 55.14 1f96 s HIS 68 Cb -0.10 0.41 -0.10 0.00 -1.43 0.00 0.00 32.58 31.36 1f96 s HIS 68 CO 0.04 -0.43 1.36 -1.91 -2.00 0.00 0.00 174.74 171.81 1f96 n GLU 69 N 1.16 2.18 -1.26 -0.38 4.07 -1.26 -4.93 120.64 120.22 1f96 n GLU 69 Ca -0.14 0.77 -0.35 0.00 -0.06 0.00 0.00 57.16 57.38 1f96 n GLU 69 Cb 0.57 -2.51 0.09 0.00 -0.06 0.00 0.00 31.44 29.54 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 -0.05 2.36 -3.49 6.31 -2.24 -1.26 -3.08 114.28 112.83 1f96 n THR 70 Ca 0.05 -0.33 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 1f96 n THR 70 Cb 0.40 -1.04 0.07 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.97 -7.22 -2.70 -0.78 4.01 -1.03 -4.91 118.16 103.57 1f96 n LYS 71 Ca 0.12 0.76 -0.06 0.00 -0.51 0.00 0.00 58.31 58.62 1f96 n LYS 71 Cb 0.50 -5.60 0.12 0.00 -0.51 0.00 0.00 35.03 29.54 1f96 n LYS 71 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1f96 n HIS 72 N -4.72 -2.34 -3.60 2.13 8.25 0.29 -4.49 115.22 110.74 1f96 n HIS 72 Ca -0.02 -1.91 -0.16 0.00 -0.26 0.00 0.00 57.72 55.37 1f96 n HIS 72 Cb 0.56 1.56 -0.07 0.00 1.12 0.00 0.00 29.99 33.16 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 0.11 -0.61 -0.17 4.41 2.19 -0.66 -1.56 117.98 121.70 1f96 s PHE 73 Ca 0.20 1.19 -0.28 0.00 0.33 0.00 0.00 56.93 58.38 1f96 s PHE 73 Cb 0.41 0.31 0.08 0.00 -1.31 0.00 0.00 43.02 42.51 1f96 s PHE 73 CO -0.09 -0.50 0.75 -1.50 1.83 0.00 0.00 175.22 175.72 1f96 s ILE 74 N -0.73 0.00 -0.01 3.12 2.07 0.44 0.67 121.20 126.75 1f96 s ILE 74 Ca -0.08 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1f96 s ILE 74 Cb -0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.58 1f96 s ILE 74 CO 0.06 0.00 0.00 -0.47 -1.91 0.00 0.00 174.94 172.62 1f96 s TYR 75 N -0.45 0.15 -0.24 3.50 6.14 -0.31 -1.84 117.35 124.29 1f96 s TYR 75 Ca -0.05 0.02 -0.26 0.00 0.64 0.00 0.00 57.07 57.42 1f96 s TYR 75 Cb -0.02 -0.20 0.11 0.00 0.42 0.00 0.00 41.96 42.26 1f96 s TYR 75 CO 0.04 -0.06 0.92 -0.59 0.64 0.00 0.00 175.55 176.51 1f96 s PHE 76 N 0.51 -0.55 0.08 4.97 -0.12 -0.78 -2.12 117.98 119.97 1f96 s PHE 76 Ca -0.05 1.28 -0.09 0.00 -0.05 0.00 0.00 56.93 58.02 1f96 s PHE 76 Cb -0.07 0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 42.62 1f96 s PHE 76 CO -0.01 -0.31 0.39 0.71 -0.05 0.00 0.00 175.22 175.94 1f96 s TYR 77 N -0.03 3.57 -0.16 3.49 1.51 0.14 -1.47 117.35 124.39 1f96 s TYR 77 Ca 0.01 0.74 -0.14 0.00 -1.01 0.00 0.00 57.07 56.67 1f96 s TYR 77 Cb -0.04 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1f96 s TYR 77 CO -0.02 0.51 0.41 -1.17 -1.11 0.00 0.00 175.55 174.18 1f96 s LEU 78 N -1.99 0.36 0.00 -1.29 2.96 -0.62 0.34 118.68 118.44 1f96 s LEU 78 Ca 0.34 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1f96 s LEU 78 Cb -0.14 1.42 0.00 0.00 0.50 0.00 0.00 46.19 47.97 1f96 s LEU 78 CO 0.19 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 1f96 n GLY 79 N 2.99 0.43 0.00 7.98 0.00 -1.26 -1.74 105.19 113.60 1f96 n GLY 79 Ca -0.14 -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 0.61 0.00 0.00 0.00 173.32 173.93 1f96 n GLN 80 N 0.00 0.00 -3.61 1.61 10.64 -1.26 -5.09 117.38 119.67 1f96 n GLN 80 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 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 0.54 -1.83 0.00 0.00 177.06 175.77 1f96 s VAL 81 N 0.00 0.01 0.12 -0.39 0.11 -0.71 -4.98 120.40 114.55 1f96 s VAL 81 Ca 0.00 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 1f96 s VAL 81 Cb 0.00 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 1f96 s VAL 81 CO 0.00 -0.02 0.94 0.00 -3.33 0.00 0.00 175.10 172.68 1f96 s ALA 82 N -0.41 3.27 0.02 1.54 0.00 -0.68 -1.59 121.76 123.90 1f96 s ALA 82 Ca -0.06 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.52 1f96 s ALA 82 Cb -0.03 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1f96 s ALA 82 CO 0.05 0.01 -0.20 0.42 0.00 0.00 0.00 175.76 176.04 1f96 s ILE 83 N -0.13 1.60 -0.00 0.00 1.01 -0.54 -1.97 121.20 121.15 1f96 s ILE 83 Ca 0.45 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1f96 s ILE 83 Cb -0.23 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 1f96 s ILE 83 CO 0.29 0.28 -0.04 -0.22 0.00 0.00 0.00 174.94 175.25 1f96 s LEU 84 N -0.93 2.01 -0.24 2.97 2.96 0.18 -1.87 118.68 123.76 1f96 s LEU 84 Ca 0.07 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 1f96 s LEU 84 Cb -0.08 -0.19 0.07 0.00 0.50 0.00 0.00 46.19 46.48 1f96 s LEU 84 CO 0.01 0.05 0.62 -0.22 -1.32 0.00 0.00 176.35 175.48 1f96 s LEU 85 N -0.09 -0.50 -0.30 -0.68 2.96 -0.77 -1.88 118.68 117.44 1f96 s LEU 85 Ca 0.01 1.29 -0.16 0.00 -0.22 0.00 0.00 54.13 55.05 1f96 s LEU 85 Cb -0.01 2.13 0.17 0.00 0.50 0.00 0.00 46.19 48.97 1f96 s LEU 85 CO -0.00 -0.22 1.08 0.72 -1.32 0.00 0.00 176.35 176.61 1f96 s PHE 86 N 0.76 -0.41 0.51 5.38 -0.71 -0.44 -0.42 117.98 122.65 1f96 s PHE 86 Ca -0.03 0.78 0.00 0.00 -1.04 0.00 0.00 56.93 56.64 1f96 s PHE 86 Cb -0.05 0.25 0.02 0.00 -1.21 0.00 0.00 43.02 42.02 1f96 s PHE 86 CO -0.06 -0.20 0.74 -1.59 -1.34 0.00 0.00 175.22 172.77 1f96 s LYS 87 N 1.55 2.77 -0.13 1.99 -2.85 -0.60 0.03 119.74 122.50 1f96 s LYS 87 Ca -0.07 -0.61 -0.08 0.00 -1.00 0.00 0.00 55.97 54.22 1f96 s LYS 87 Cb -0.03 -2.50 0.05 0.00 -2.06 0.00 0.00 37.83 33.29 1f96 s LYS 87 CO -0.14 -0.54 0.32 -1.12 0.10 0.00 0.00 175.35 173.97 1f96 s SER 88 N -4.34 -0.38 0.00 0.03 0.01 0.65 -4.07 113.70 105.61 1f96 s SER 88 Ca 0.53 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1f96 s SER 88 Cb -0.10 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1f96 s SER 88 CO 0.39 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.48