#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 -1.42 6.38 0.44 0.00 2.15 -1.26 -4.94 116.67 118.03 1f96 s ASP 3 Ca 0.00 2.95 -0.25 0.00 0.43 0.00 0.00 52.55 55.68 1f96 s ASP 3 Cb 0.00 -2.64 -0.08 0.00 -0.30 0.00 0.00 42.92 39.90 1f96 s ASP 3 CO 0.00 -0.90 1.32 -0.13 -0.17 0.00 0.00 175.17 175.29 1f96 s ARG 4 N -0.75 3.75 -0.25 4.34 3.00 -1.26 -4.90 118.95 122.87 1f96 s ARG 4 Ca 0.61 2.17 0.02 0.00 0.00 0.00 0.00 55.73 58.52 1f96 s ARG 4 Cb -0.47 -2.61 0.32 0.00 0.00 0.00 0.00 34.95 32.19 1f96 s ARG 4 CO 0.50 -0.68 1.57 0.36 0.00 0.00 0.00 175.30 177.05 1f96 n LYS 5 N -0.21 1.68 -0.96 3.54 0.00 -1.26 -4.77 118.16 116.18 1f96 n LYS 5 Ca 0.06 -1.57 -0.35 0.00 -0.00 0.00 0.00 58.31 56.45 1f96 n LYS 5 Cb 0.44 -1.61 -0.04 0.00 -0.00 0.00 0.00 35.03 33.81 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 -0.24 3.58 -2.05 0.58 0.00 -1.22 -3.95 120.51 117.21 1f96 n ALA 6 Ca 0.31 -2.75 -0.41 0.00 0.00 0.00 0.00 53.44 50.59 1f96 n ALA 6 Cb 1.01 -3.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.02 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 4.57 3.84 0.47 0.00 -7.23 0.13 -4.78 120.40 117.40 1f96 s VAL 7 Ca 0.50 1.60 -0.19 0.00 -1.81 0.00 0.00 61.98 62.07 1f96 s VAL 7 Cb 0.13 -4.02 -0.09 0.00 0.56 0.00 0.00 36.38 32.95 1f96 s VAL 7 CO 0.07 0.28 0.97 -0.63 -0.31 0.00 0.00 175.10 175.48 1f96 s ILE 8 N -0.26 4.36 0.00 -0.62 1.09 -1.26 0.63 121.20 125.14 1f96 s ILE 8 Ca 0.49 1.34 0.00 0.00 -1.10 0.00 0.00 60.65 61.39 1f96 s ILE 8 Cb -0.30 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 1f96 s ILE 8 CO 0.35 -0.44 0.00 0.29 -0.10 0.00 0.00 174.94 175.04 1f96 n LYS 9 N -1.03 0.00 -2.67 2.79 4.76 -0.68 -4.83 118.16 116.49 1f96 n LYS 9 Ca 0.07 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 1f96 n LYS 9 Cb 0.54 -0.51 0.03 0.00 -1.84 0.00 0.00 35.03 33.25 1f96 n LYS 9 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1f96 n ASN 10 N -1.81 1.68 -4.77 4.39 2.85 -1.06 -5.03 115.26 111.51 1f96 n ASN 10 Ca 0.00 -2.66 -0.41 0.00 -0.11 0.00 0.00 54.58 51.40 1f96 n ASN 10 Cb 0.09 -0.52 -0.02 0.00 1.24 0.00 0.00 39.78 40.57 1f96 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1f96 s ALA 11 N -3.27 3.54 -0.45 5.20 0.00 -1.26 -3.75 121.76 121.78 1f96 s ALA 11 Ca 0.28 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.64 1f96 s ALA 11 Cb 0.43 -3.52 0.33 0.00 0.00 0.00 0.00 23.12 20.36 1f96 s ALA 11 CO 0.01 -0.74 1.12 -0.25 0.00 0.00 0.00 175.76 175.91 1f96 n ASP 12 N 1.12 -2.11 -1.59 0.00 8.00 0.87 -4.96 116.55 117.88 1f96 n ASP 12 Ca 0.02 -3.56 -0.01 0.00 0.71 0.00 0.00 54.79 51.95 1f96 n ASP 12 Cb 0.41 1.70 0.01 0.00 -0.02 0.00 0.00 41.12 43.22 1f96 n ASP 12 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 1f96 n MET 13 N 0.27 0.19 -1.80 -1.24 0.00 -1.22 -1.23 117.12 112.10 1f96 n MET 13 Ca 0.06 -0.42 -0.41 0.00 0.00 0.00 0.00 57.70 56.92 1f96 n MET 13 Cb 0.71 0.57 -0.02 0.00 0.00 0.00 0.00 33.22 34.48 1f96 n MET 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1f96 s SER 14 N -1.64 6.39 0.20 3.17 0.15 -1.26 -4.89 113.70 115.82 1f96 s SER 14 Ca 0.06 2.93 -0.11 0.00 0.70 0.00 0.00 55.95 59.54 1f96 s SER 14 Cb -0.01 -2.64 0.24 0.00 -1.71 0.00 0.00 66.02 61.90 1f96 s SER 14 CO 0.02 -0.90 1.76 -0.33 1.20 0.00 0.00 173.24 174.99 1f96 h GLU 15 N 4.78 0.42 -0.61 5.44 5.08 -2.00 -1.80 114.58 125.89 1f96 h GLU 15 Ca -0.47 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1f96 h GLU 15 Cb 1.22 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1f96 h GLU 15 CO 0.79 0.28 0.37 1.05 -1.00 0.00 0.00 179.01 180.50 1f96 h GLU 16 N 0.44 0.71 -0.48 2.33 4.11 -2.00 -1.71 114.58 117.97 1f96 h GLU 16 Ca 0.28 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1f96 h GLU 16 Cb 0.31 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1f96 h GLU 16 CO -0.26 0.47 0.32 0.52 0.07 0.00 0.00 179.01 180.12 1f96 h MET 17 N 0.73 0.64 -0.78 1.06 2.86 -1.77 -2.13 114.93 115.54 1f96 h MET 17 Ca 0.25 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1f96 h MET 17 Cb 0.03 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1f96 h MET 17 CO -0.11 0.43 0.48 1.96 1.06 0.00 0.00 176.91 180.73 1f96 h GLN 18 N 0.66 0.90 -0.48 1.72 4.20 -0.88 -2.09 115.11 119.13 1f96 h GLN 18 Ca 0.18 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1f96 h GLN 18 Cb -0.07 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.48 1f96 h GLN 18 CO -0.04 0.59 0.31 0.37 -0.67 0.00 0.00 178.83 179.39 1f96 h GLN 19 N 0.92 0.60 -1.00 1.46 5.75 -0.85 -1.58 115.11 120.42 1f96 h GLN 19 Ca 0.32 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1f96 h GLN 19 Cb 0.07 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 1f96 h GLN 19 CO -0.14 0.40 0.66 -0.44 -2.65 0.00 0.00 178.83 176.66 1f96 h ASP 20 N 0.62 1.13 -0.49 -0.69 3.32 -0.84 0.85 116.42 120.33 1f96 h ASP 20 Ca 0.18 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1f96 h ASP 20 Cb -0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1f96 h ASP 20 CO -0.06 0.81 0.08 0.28 -1.72 0.00 0.00 179.24 178.63 1f96 h SER 21 N 1.33 0.77 -0.27 6.45 0.02 -0.91 0.47 113.55 121.41 1f96 h SER 21 Ca 0.37 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1f96 h SER 21 Cb -0.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1f96 h SER 21 CO -0.09 0.83 0.10 0.58 -1.14 0.00 0.00 176.83 177.12 1f96 h VAL 22 N 0.68 1.18 -0.21 2.27 2.07 -0.68 0.48 116.25 122.05 1f96 h VAL 22 Ca 0.15 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1f96 h VAL 22 Cb 0.39 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1f96 h VAL 22 CO 0.01 0.19 0.02 -0.33 0.02 0.00 0.00 177.57 177.47 1f96 h GLU 23 N 0.28 0.35 -0.11 1.57 5.08 -0.71 -0.81 114.58 120.23 1f96 h GLU 23 Ca 0.09 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1f96 h GLU 23 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1f96 h GLU 23 CO -0.01 0.53 -0.21 0.00 -1.00 0.00 0.00 179.01 178.32 1f96 h ALA 25 N 1.63 0.39 -0.25 0.00 0.00 0.20 -1.75 119.26 119.47 1f96 h ALA 25 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1f96 h ALA 25 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1f96 h ALA 25 CO 0.03 0.57 0.13 1.15 0.00 0.00 0.00 179.25 181.13 1f96 h THR 26 N 0.51 1.13 -0.63 0.00 2.02 -0.80 -2.15 112.91 112.99 1f96 h THR 26 Ca 0.01 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1f96 h THR 26 Cb 1.11 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1f96 h THR 26 CO 0.11 0.13 0.36 1.56 0.37 0.00 0.00 175.52 178.05 1f96 h GLN 27 N 0.28 0.85 -0.41 6.66 4.20 -1.30 -2.37 115.11 123.03 1f96 h GLN 27 Ca 0.09 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1f96 h GLN 27 Cb 0.09 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1f96 h GLN 27 CO -0.01 0.61 0.20 0.00 -0.67 0.00 0.00 178.83 178.97 1f96 h ALA 28 N 1.53 0.51 -0.27 3.87 0.00 -0.71 0.87 119.26 125.06 1f96 h ALA 28 Ca 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1f96 h ALA 28 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1f96 h ALA 28 CO -0.04 -0.15 0.10 -0.07 0.00 0.00 0.00 179.25 179.08 1f96 h LEU 29 N 0.41 0.39 -0.79 0.00 3.38 -0.92 1.16 115.31 118.95 1f96 h LEU 29 Ca 0.17 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1f96 h LEU 29 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1f96 h LEU 29 CO -0.12 0.47 -0.58 1.05 0.09 0.00 0.00 178.44 179.35 1f96 h GLU 30 N 0.29 0.07 0.06 1.13 4.11 -1.20 0.93 114.58 119.97 1f96 h GLU 30 Ca 0.09 -0.05 -0.28 0.00 0.07 0.00 0.00 59.36 59.20 1f96 h GLU 30 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1f96 h GLU 30 CO -0.00 0.63 -1.42 0.87 0.07 0.00 0.00 179.01 179.15 1f96 h LYS 31 N 0.05 0.13 0.00 1.06 1.57 0.99 -3.43 116.57 116.95 1f96 h LYS 31 Ca -0.01 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1f96 h LYS 31 Cb 1.04 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1f96 h LYS 31 CO 0.08 0.96 -0.76 0.66 -0.57 0.00 0.00 179.45 179.82 1f96 n TYR 32 N -3.34 0.00 -3.18 -1.35 4.02 0.39 -5.04 117.16 108.66 1f96 n TYR 32 Ca -0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.62 1f96 n TYR 32 Cb 1.02 0.06 0.06 0.00 -0.02 0.00 0.00 39.34 40.46 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 -2.57 -3.62 -3.67 7.72 5.15 0.32 -4.97 115.26 113.63 1f96 n ASN 33 Ca 0.00 -0.42 -0.11 0.00 -0.60 0.00 0.00 54.58 53.44 1f96 n ASN 33 Cb 0.38 -3.86 -0.11 0.00 -0.53 0.00 0.00 39.78 35.66 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 -3.25 -0.38 0.25 -1.44 1.01 -1.26 -5.03 121.20 111.10 1f96 s ILE 34 Ca 0.21 0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 1f96 s ILE 34 Cb -0.09 -0.54 0.36 0.00 0.01 0.00 0.00 42.46 42.19 1f96 s ILE 34 CO 0.53 0.08 1.59 -0.33 0.00 0.00 0.00 174.94 176.82 1f96 h GLU 35 N 7.91 0.01 0.65 2.79 4.39 -1.96 -1.08 114.58 127.29 1f96 h GLU 35 Ca -0.22 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 1f96 h GLU 35 Cb 1.13 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1f96 h GLU 35 CO 0.19 0.01 -0.31 -0.22 -1.16 0.00 0.00 179.01 177.51 1f96 h LYS 36 N 0.01 -0.84 -0.90 2.33 3.64 -1.97 -3.14 116.57 115.70 1f96 h LYS 36 Ca 0.42 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 60.04 1f96 h LYS 36 Cb 0.67 0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.57 1f96 h LYS 36 CO -0.85 -0.53 0.46 -0.44 -2.27 0.00 0.00 179.45 175.82 1f96 h ASP 37 N -0.95 0.52 -0.44 4.20 5.19 -1.75 -2.16 116.42 121.04 1f96 h ASP 37 Ca -0.09 0.11 0.09 0.00 -0.62 0.00 0.00 57.03 56.52 1f96 h ASP 37 Cb 0.69 0.04 -0.09 0.00 0.18 0.00 0.00 39.33 40.15 1f96 h ASP 37 CO 0.15 0.15 -0.27 0.40 -3.12 0.00 0.00 179.24 176.55 1f96 h ILE 38 N 0.58 0.29 0.00 0.35 2.04 -1.18 0.12 117.51 119.70 1f96 h ILE 38 Ca 0.52 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.36 1f96 h ILE 38 Cb 0.85 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1f96 h ILE 38 CO -0.42 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 177.61 1f96 h ALA 39 N 0.97 1.19 0.53 1.87 0.00 -1.45 -2.39 119.26 119.99 1f96 h ALA 39 Ca 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1f96 h ALA 39 Cb 0.50 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1f96 h ALA 39 CO -0.54 0.14 -0.26 0.00 0.00 0.00 0.00 179.25 178.59 1f96 h ALA 40 N 1.89 -0.74 -0.29 0.00 0.00 -0.52 -1.88 119.26 117.72 1f96 h ALA 40 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1f96 h ALA 40 Cb 0.39 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1f96 h ALA 40 CO 0.01 -0.68 -0.07 1.12 0.00 0.00 0.00 179.25 179.63 1f96 h HIS 41 N -1.16 0.63 -0.58 0.00 2.07 -1.48 -2.66 115.15 111.98 1f96 h HIS 41 Ca -0.07 -0.14 -0.00 0.00 -2.85 0.00 0.00 60.37 57.30 1f96 h HIS 41 Cb 0.55 -0.15 -0.03 0.00 2.57 0.00 0.00 27.41 30.35 1f96 h HIS 41 CO 0.00 0.76 0.34 0.82 -3.07 0.00 0.00 177.93 176.79 1f96 h ILE 42 N 0.33 1.18 -0.50 6.12 2.04 -1.56 -1.43 117.51 123.68 1f96 h ILE 42 Ca 0.07 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1f96 h ILE 42 Cb 0.56 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1f96 h ILE 42 CO 0.03 0.18 0.18 0.07 0.00 0.00 0.00 178.15 178.61 1f96 h LYS 43 N 0.78 0.76 -0.42 2.37 5.09 -1.34 -2.44 116.57 121.38 1f96 h LYS 43 Ca 0.21 -0.15 -0.04 0.00 0.09 0.00 0.00 60.65 60.76 1f96 h LYS 43 Cb -0.00 -0.12 -0.02 0.00 0.10 0.00 0.00 32.23 32.19 1f96 h LYS 43 CO -0.04 0.69 0.11 1.57 -2.09 0.00 0.00 179.45 179.70 1f96 h LYS 44 N 0.67 0.66 -0.21 0.07 2.10 -1.28 0.31 116.57 118.90 1f96 h LYS 44 Ca 0.16 -0.15 0.03 0.00 -2.00 0.00 0.00 60.65 58.69 1f96 h LYS 44 Cb 0.24 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 31.44 1f96 h LYS 44 CO -0.01 0.67 0.00 0.93 -2.00 0.00 0.00 179.45 179.04 1f96 h GLU 45 N 0.54 0.06 -0.15 0.07 4.39 -1.17 0.15 114.58 118.48 1f96 h GLU 45 Ca 0.13 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1f96 h GLU 45 Cb 0.30 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1f96 h GLU 45 CO -0.00 0.04 -0.13 0.74 -1.16 0.00 0.00 179.01 178.50 1f96 h PHE 46 N 0.07 0.41 -0.94 4.33 0.04 -1.36 0.44 116.94 119.93 1f96 h PHE 46 Ca 0.10 -0.12 0.11 0.00 2.80 0.00 0.00 57.97 60.86 1f96 h PHE 46 Cb 0.12 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.10 1f96 h PHE 46 CO -0.18 0.72 0.57 0.22 -0.60 0.00 0.00 178.31 179.05 1f96 h ASP 47 N -0.02 0.84 0.16 2.17 1.82 -0.15 0.83 116.42 122.07 1f96 h ASP 47 Ca 0.03 0.05 -0.30 0.00 -0.39 0.00 0.00 57.03 56.41 1f96 h ASP 47 Cb 0.65 -0.12 0.01 0.00 0.68 0.00 0.00 39.33 40.55 1f96 h ASP 47 CO 0.03 0.46 -1.45 0.50 -1.61 0.00 0.00 179.24 177.17 1f96 h LYS 48 N 0.93 0.34 0.32 0.28 1.63 -0.67 -1.10 116.57 118.30 1f96 h LYS 48 Ca 0.46 -0.59 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1f96 h LYS 48 Cb 0.43 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1f96 h LYS 48 CO -0.26 1.28 -0.15 -0.22 -3.45 0.00 0.00 179.45 176.65 1f96 h LYS 49 N -0.12 -0.41 0.00 1.90 1.63 0.17 -3.35 116.57 116.39 1f96 h LYS 49 Ca -0.29 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1f96 h LYS 49 Cb 1.91 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.64 1f96 h LYS 49 CO 0.14 -0.28 -0.41 0.66 -3.45 0.00 0.00 179.45 176.12 1f96 n TYR 50 N -5.02 0.62 0.00 1.91 4.02 0.27 -5.04 117.16 113.93 1f96 n TYR 50 Ca -0.05 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1f96 n TYR 50 Cb 0.17 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 38.77 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 -2.10 -0.15 -4.48 7.72 3.02 -0.28 -4.97 115.26 114.02 1f96 n ASN 51 Ca 0.04 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.31 1f96 n ASN 51 Cb 0.43 0.35 0.26 0.00 -0.61 0.00 0.00 39.78 40.20 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 -4.58 -1.03 -0.23 3.52 0.02 -0.48 -4.45 135.00 127.76 1f96 s PRO 52 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 61.00 61.94 1f96 s PRO 52 Cb 0.00 -1.53 0.03 0.00 0.02 0.00 0.00 34.50 33.02 1f96 s PRO 52 CO 0.00 -3.82 -0.12 -0.08 -0.33 0.00 0.00 177.00 172.65 1f96 s THR 53 N -2.41 2.45 -0.15 0.99 -1.32 -0.70 -4.75 115.64 109.75 1f96 s THR 53 Ca 0.69 -1.14 -0.16 0.00 -1.21 0.00 0.00 61.69 59.87 1f96 s THR 53 Cb -0.26 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 1f96 s THR 53 CO 0.65 0.26 0.38 0.26 -2.21 0.00 0.00 174.62 173.96 1f96 s TRP 54 N 1.26 3.47 -0.06 9.09 0.52 -1.26 0.14 118.94 132.10 1f96 s TRP 54 Ca -0.00 0.71 -0.01 0.00 0.02 0.00 0.00 56.10 56.82 1f96 s TRP 54 Cb -0.16 -2.45 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1f96 s TRP 54 CO -0.07 0.18 -0.00 -1.01 0.02 0.00 0.00 176.95 176.07 1f96 s HIS 55 N 0.63 3.13 -0.03 -1.98 3.76 0.56 -4.92 115.29 116.44 1f96 s HIS 55 Ca 0.21 0.16 -0.06 0.00 -0.15 0.00 0.00 55.06 55.22 1f96 s HIS 55 Cb -0.14 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.80 1f96 s HIS 55 CO 0.07 0.46 0.13 0.00 -0.85 0.00 0.00 174.74 174.55 1f96 s ILE 57 N -0.59 0.07 -0.21 0.00 -1.09 -0.80 -4.92 121.20 113.66 1f96 s ILE 57 Ca -0.07 -0.58 -0.17 0.00 -2.23 0.00 0.00 60.65 57.61 1f96 s ILE 57 Cb -0.04 -0.38 0.06 0.00 -1.58 0.00 0.00 42.46 40.52 1f96 s ILE 57 CO 0.01 -0.32 0.54 -0.69 -1.23 0.00 0.00 174.94 173.25 1f96 s VAL 58 N -1.11 -0.00 0.00 2.92 1.01 -1.26 -0.17 120.40 121.79 1f96 s VAL 58 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1f96 s VAL 58 Cb -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1f96 s VAL 58 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1f96 n GLY 59 N 3.23 -0.81 1.51 4.51 0.00 -0.85 -4.65 105.19 108.12 1f96 n GLY 59 Ca -0.16 0.20 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.13 0.00 1.61 1.85 -1.26 -1.03 116.66 117.96 1f96 n ARG 60 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1f96 n ARG 60 Cb 0.00 0.09 0.00 0.00 -1.05 0.00 0.00 32.46 31.50 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 -0.15 0.00 -3.64 2.89 4.05 -1.26 -5.02 115.26 112.13 1f96 n ASN 61 Ca -0.02 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.94 1f96 n ASN 61 Cb 0.51 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.46 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 -0.81 0.18 1.20 -0.71 -1.26 -5.15 117.98 111.43 1f96 s PHE 62 Ca 0.00 1.70 -0.29 0.00 -1.04 0.00 0.00 56.93 57.30 1f96 s PHE 62 Cb 0.00 0.46 -0.08 0.00 -1.21 0.00 0.00 43.02 42.19 1f96 s PHE 62 CO 0.00 -0.40 0.90 0.20 -1.34 0.00 0.00 175.22 174.59 1f96 s GLY 63 N 1.15 3.03 0.07 1.99 0.00 -1.26 -5.06 107.32 107.24 1f96 s GLY 63 Ca -0.06 0.54 0.07 0.00 0.00 0.00 0.00 44.72 45.26 1f96 s GLY 63 CO -0.13 1.19 -0.19 -0.45 0.00 0.00 0.00 173.10 173.52 1f96 s SER 64 N -0.81 2.28 -0.15 1.64 0.15 -1.26 -5.13 113.70 110.42 1f96 s SER 64 Ca 0.41 -0.58 -0.08 0.00 0.70 0.00 0.00 55.95 56.41 1f96 s SER 64 Cb -0.24 -0.15 0.06 0.00 -1.71 0.00 0.00 66.02 63.98 1f96 s SER 64 CO 0.30 0.08 0.36 -0.47 1.20 0.00 0.00 173.24 174.70 1f96 s TYR 65 N -0.98 -0.54 0.26 3.44 5.04 -1.26 -5.17 117.35 118.14 1f96 s TYR 65 Ca 0.05 1.16 -0.18 0.00 -2.44 0.00 0.00 57.07 55.66 1f96 s TYR 65 Cb -0.09 0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.42 1f96 s TYR 65 CO 0.03 -0.33 0.62 0.08 -1.34 0.00 0.00 175.55 174.61 1f96 s VAL 66 N 1.56 0.00 0.03 3.14 1.01 -1.26 -5.17 120.40 119.71 1f96 s VAL 66 Ca -0.08 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.84 1f96 s VAL 66 Cb -0.10 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1f96 s VAL 66 CO -0.11 -0.01 -0.21 -0.89 0.00 0.00 0.00 175.10 173.89 1f96 s THR 67 N -3.95 1.65 -0.09 3.92 2.01 -1.26 -5.14 115.64 112.78 1f96 s THR 67 Ca 0.15 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 1f96 s THR 67 Cb -0.04 -1.42 0.10 0.00 0.01 0.00 0.00 72.50 71.14 1f96 s THR 67 CO 0.07 0.26 0.82 -1.38 -0.69 0.00 0.00 174.62 173.70 1f96 s HIS 68 N -0.73 -0.52 0.50 4.92 -3.43 -1.26 -5.01 115.29 109.76 1f96 s HIS 68 Ca 0.08 0.85 -0.23 0.00 -0.80 0.00 0.00 55.06 54.95 1f96 s HIS 68 Cb -0.09 0.44 -0.06 0.00 -1.43 0.00 0.00 32.58 31.44 1f96 s HIS 68 CO 0.01 -0.50 1.39 -1.83 -2.00 0.00 0.00 174.74 171.81 1f96 s GLU 69 N -1.35 3.41 0.58 -0.38 -1.05 -1.26 -4.92 118.70 113.73 1f96 s GLU 69 Ca -0.06 2.32 -0.19 0.00 -0.15 0.00 0.00 54.97 56.88 1f96 s GLU 69 Cb -0.00 -2.45 -0.05 0.00 -0.44 0.00 0.00 34.13 31.19 1f96 s GLU 69 CO 0.05 -1.01 1.09 0.25 0.95 0.00 0.00 175.26 176.59 1f96 n THR 70 N -0.63 3.82 -2.99 1.83 -2.24 -1.26 -2.73 114.28 110.08 1f96 n THR 70 Ca 0.08 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1f96 n THR 70 Cb 0.43 -1.30 0.04 0.00 -2.10 0.00 0.00 70.33 67.41 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 -1.06 -4.46 -2.77 -0.78 4.76 -1.22 -4.93 118.16 107.71 1f96 n LYS 71 Ca 0.13 0.67 -0.09 0.00 -2.87 0.00 0.00 58.31 56.14 1f96 n LYS 71 Cb 0.46 -5.07 0.08 0.00 -1.84 0.00 0.00 35.03 28.66 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 -4.26 -1.65 -3.60 2.13 8.25 -0.36 -4.49 115.22 111.23 1f96 n HIS 72 Ca -0.05 -2.38 -0.15 0.00 -0.26 0.00 0.00 57.72 54.87 1f96 n HIS 72 Cb 0.58 1.02 -0.07 0.00 1.12 0.00 0.00 29.99 32.64 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 -0.68 -0.71 -0.19 4.41 5.36 -0.89 -3.81 117.98 121.47 1f96 s PHE 73 Ca 0.25 1.58 -0.16 0.00 -0.96 0.00 0.00 56.93 57.64 1f96 s PHE 73 Cb 0.37 0.30 0.05 0.00 -0.34 0.00 0.00 43.02 43.40 1f96 s PHE 73 CO -0.05 -0.45 0.49 -1.50 -1.46 0.00 0.00 175.22 172.25 1f96 s ILE 74 N -0.19 -0.00 -0.08 3.12 2.07 -0.40 -0.09 121.20 125.64 1f96 s ILE 74 Ca -0.04 0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1f96 s ILE 74 Cb -0.03 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.90 1f96 s ILE 74 CO 0.04 0.00 0.19 -0.47 -1.91 0.00 0.00 174.94 172.79 1f96 s TYR 75 N 0.43 -0.22 -0.28 3.50 6.14 -1.25 -1.85 117.35 123.83 1f96 s TYR 75 Ca -0.01 0.56 -0.25 0.00 0.64 0.00 0.00 57.07 58.01 1f96 s TYR 75 Cb -0.04 0.02 0.10 0.00 0.42 0.00 0.00 41.96 42.45 1f96 s TYR 75 CO -0.01 -0.15 0.89 -0.59 0.64 0.00 0.00 175.55 176.32 1f96 s PHE 76 N 0.72 -0.62 0.36 4.97 -0.12 -0.85 -1.69 117.98 120.76 1f96 s PHE 76 Ca -0.05 1.52 -0.26 0.00 -0.05 0.00 0.00 56.93 58.08 1f96 s PHE 76 Cb -0.07 0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 42.55 1f96 s PHE 76 CO -0.04 -0.30 1.11 0.71 -0.05 0.00 0.00 175.22 176.65 1f96 s TYR 77 N 0.29 3.29 -0.28 3.49 2.02 0.21 -1.80 117.35 124.57 1f96 s TYR 77 Ca 0.02 1.63 -0.24 0.00 -0.37 0.00 0.00 57.07 58.11 1f96 s TYR 77 Cb -0.05 -3.28 0.13 0.00 -0.40 0.00 0.00 41.96 38.36 1f96 s TYR 77 CO -0.03 -0.86 1.04 -1.17 -1.57 0.00 0.00 175.55 172.96 1f96 s LEU 78 N -2.20 -0.44 -1.48 -1.29 0.20 -0.54 0.22 118.68 113.15 1f96 s LEU 78 Ca 0.53 0.83 -0.12 0.00 0.69 0.00 0.00 54.13 56.06 1f96 s LEU 78 Cb -0.28 1.83 0.06 0.00 -0.43 0.00 0.00 46.19 47.37 1f96 s LEU 78 CO 0.36 -0.14 1.04 0.61 -0.29 0.00 0.00 176.35 177.93 1f96 n GLY 79 N 2.38 -0.52 3.30 7.98 0.00 -1.26 -1.18 105.19 115.89 1f96 n GLY 79 Ca -0.13 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.77 -5.00 -3.64 1.61 1.13 -1.26 -4.96 117.38 100.48 1f96 n GLN 80 Ca 0.03 0.75 -0.10 0.00 -1.94 0.00 0.00 57.00 55.74 1f96 n GLN 80 Cb 0.54 -5.61 -0.07 0.00 0.11 0.00 0.00 30.24 25.21 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 -3.15 -0.00 0.09 5.09 -7.23 -0.33 -4.88 120.40 109.99 1f96 s VAL 81 Ca 0.41 0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 60.28 1f96 s VAL 81 Cb -0.20 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 1f96 s VAL 81 CO 0.51 0.00 1.25 0.00 -0.31 0.00 0.00 175.10 176.55 1f96 s ALA 82 N 1.08 3.45 -0.06 1.32 0.00 -0.20 -1.46 121.76 125.89 1f96 s ALA 82 Ca -0.06 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1f96 s ALA 82 Cb -0.05 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1f96 s ALA 82 CO -0.11 -0.48 -0.11 0.42 0.00 0.00 0.00 175.76 175.49 1f96 s ILE 83 N 0.95 3.35 -0.01 0.00 1.01 -0.74 -2.01 121.20 123.74 1f96 s ILE 83 Ca 0.60 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1f96 s ILE 83 Cb -0.32 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 1f96 s ILE 83 CO 0.30 0.59 -0.09 -0.22 0.00 0.00 0.00 174.94 175.52 1f96 s LEU 84 N -0.73 1.92 -0.25 2.97 2.96 0.76 -2.00 118.68 124.31 1f96 s LEU 84 Ca 0.11 -0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 53.62 1f96 s LEU 84 Cb -0.11 -0.51 0.06 0.00 0.50 0.00 0.00 46.19 46.14 1f96 s LEU 84 CO 0.01 0.09 0.66 -0.22 -1.32 0.00 0.00 176.35 175.57 1f96 s LEU 85 N -0.05 -0.52 -0.29 -0.68 2.96 -0.77 -1.91 118.68 117.42 1f96 s LEU 85 Ca 0.01 1.33 -0.18 0.00 -0.22 0.00 0.00 54.13 55.07 1f96 s LEU 85 Cb -0.06 2.26 0.17 0.00 0.50 0.00 0.00 46.19 49.06 1f96 s LEU 85 CO -0.00 -0.23 1.15 0.72 -1.32 0.00 0.00 176.35 176.67 1f96 s PHE 86 N 0.37 -0.30 0.03 5.38 -0.71 -0.67 -1.27 117.98 120.80 1f96 s PHE 86 Ca -0.00 0.63 -0.15 0.00 -1.04 0.00 0.00 56.93 56.37 1f96 s PHE 86 Cb -0.05 0.25 -0.06 0.00 -1.21 0.00 0.00 43.02 41.95 1f96 s PHE 86 CO 0.01 -0.15 0.44 -1.59 -1.34 0.00 0.00 175.22 172.59 1f96 s LYS 87 N 0.95 3.95 -0.09 1.99 0.00 -1.25 -0.33 119.74 124.95 1f96 s LYS 87 Ca -0.05 0.44 0.03 0.00 0.00 0.00 0.00 55.97 56.38 1f96 s LYS 87 Cb -0.03 -3.18 -0.01 0.00 0.00 0.00 0.00 37.83 34.60 1f96 s LYS 87 CO -0.12 0.66 -0.17 0.45 0.00 0.00 0.00 175.35 176.16 1f96 s SER 88 N -1.19 3.68 0.00 0.03 0.15 0.37 -4.68 113.70 112.06 1f96 s SER 88 Ca 0.26 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.54 1f96 s SER 88 Cb -0.17 -1.27 0.03 0.00 -1.71 0.00 0.00 66.02 62.90 1f96 s SER 88 CO 0.15 0.22 0.53 0.61 1.20 0.00 0.00 173.24 175.95