#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 -4.66 4.59 -2.00 0.00 9.92 -1.26 -4.62 116.55 118.52 1f96 n ASP 3 Ca -0.01 -2.26 -0.17 0.00 -0.53 0.00 0.00 54.79 51.83 1f96 n ASP 3 Cb 0.16 -1.05 -0.01 0.00 -0.64 0.00 0.00 41.12 39.58 1f96 n ASP 3 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1f96 n ARG 4 N 3.57 1.86 0.00 -1.24 3.00 -1.22 -4.84 116.66 117.79 1f96 n ARG 4 Ca 0.40 -1.51 0.00 0.00 -0.00 0.00 0.00 57.85 56.74 1f96 n ARG 4 Cb 0.31 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.07 1f96 n ARG 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1f96 n LYS 5 N 0.81 1.31 -1.57 -0.14 4.76 -1.26 -5.03 118.16 117.04 1f96 n LYS 5 Ca 0.32 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1f96 n LYS 5 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1f96 n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f96 n ALA 6 N -3.00 -2.21 -2.70 7.82 0.00 -1.26 -4.99 120.51 114.18 1f96 n ALA 6 Ca 0.00 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 1f96 n ALA 6 Cb 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.68 3.99 0.13 0.00 -7.23 0.06 -4.93 120.40 110.73 1f96 s VAL 7 Ca 0.00 -0.36 -0.24 0.00 -1.81 0.00 0.00 61.98 59.57 1f96 s VAL 7 Cb 0.00 -2.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1f96 s VAL 7 CO 0.00 0.58 0.74 -0.63 -0.31 0.00 0.00 175.10 175.48 1f96 s ILE 8 N -0.60 4.50 -0.01 -0.62 1.09 -1.26 -0.56 121.20 123.74 1f96 s ILE 8 Ca 0.09 1.61 -0.00 0.00 -1.10 0.00 0.00 60.65 61.25 1f96 s ILE 8 Cb -0.12 -4.09 -0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1f96 s ILE 8 CO 0.02 0.50 -0.01 0.29 -0.10 0.00 0.00 174.94 175.64 1f96 n LYS 9 N 1.85 0.02 -0.08 2.79 4.76 -0.60 -4.93 118.16 121.97 1f96 n LYS 9 Ca -0.06 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.30 1f96 n LYS 9 Cb 0.49 -0.61 -0.03 0.00 -1.84 0.00 0.00 35.03 33.04 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 -2.95 1.86 -1.83 4.39 5.03 -1.15 -5.03 115.26 115.58 1f96 n ASN 10 Ca -0.02 0.51 0.00 0.00 0.87 0.00 0.00 54.58 55.94 1f96 n ASN 10 Cb 0.51 -0.84 0.00 0.00 -1.02 0.00 0.00 39.78 38.43 1f96 n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f96 n ALA 11 N -3.90 -2.06 0.00 5.41 0.00 -1.26 -4.93 120.51 113.77 1f96 n ALA 11 Ca -0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1f96 n ALA 11 Cb 0.42 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.50 0.00 -3.61 0.00 2.03 -0.65 -4.89 116.55 109.93 1f96 n ASP 12 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1f96 n ASP 12 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1f96 n ASP 12 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1f96 s MET 13 N 0.00 0.87 0.42 -0.67 -1.94 -1.22 -1.90 119.30 114.86 1f96 s MET 13 Ca 0.00 0.54 -0.23 0.00 -1.71 0.00 0.00 55.69 54.28 1f96 s MET 13 Cb 0.00 0.41 -0.12 0.00 2.01 0.00 0.00 34.83 37.14 1f96 s MET 13 CO 0.00 -0.19 0.78 0.45 -0.01 0.00 0.00 175.02 176.04 1f96 n SER 14 N 1.86 0.17 -0.33 3.03 2.88 -1.26 -4.41 113.62 115.57 1f96 n SER 14 Ca -0.17 0.97 0.27 0.00 -1.33 0.00 0.00 58.87 58.62 1f96 n SER 14 Cb 0.56 -1.23 0.52 0.00 -0.75 0.00 0.00 64.21 63.31 1f96 n SER 14 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1f96 h GLU 15 N 1.14 0.13 -0.17 -1.46 4.11 -2.01 0.37 114.58 116.70 1f96 h GLU 15 Ca -0.42 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 58.94 1f96 h GLU 15 Cb 1.37 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1f96 h GLU 15 CO 0.54 0.09 -0.15 1.05 0.07 0.00 0.00 179.01 180.61 1f96 h GLU 16 N 0.14 0.40 0.03 1.06 4.11 -1.99 -1.70 114.58 116.64 1f96 h GLU 16 Ca 0.78 -0.21 -0.00 0.00 0.07 0.00 0.00 59.36 60.00 1f96 h GLU 16 Cb 1.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1f96 h GLU 16 CO -0.71 0.76 -0.02 1.98 0.07 0.00 0.00 179.01 181.09 1f96 h MET 17 N 0.06 -0.04 -0.50 1.06 4.05 -0.65 -1.15 114.93 117.77 1f96 h MET 17 Ca 0.03 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1f96 h MET 17 Cb 0.67 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1f96 h MET 17 CO 0.04 0.01 0.23 -0.56 0.23 0.00 0.00 176.91 176.85 1f96 h GLN 18 N -0.08 0.70 -0.48 0.39 3.07 -1.16 -2.07 115.11 115.48 1f96 h GLN 18 Ca -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 1f96 h GLN 18 Cb 0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.47 1f96 h GLN 18 CO 0.01 0.55 0.24 0.37 0.09 0.00 0.00 178.83 180.09 1f96 h GLN 19 N 0.70 0.68 -0.60 0.06 4.15 -0.84 -1.39 115.11 117.87 1f96 h GLN 19 Ca 0.17 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1f96 h GLN 19 Cb 0.10 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1f96 h GLN 19 CO -0.02 0.56 0.25 -0.44 -1.93 0.00 0.00 178.83 177.25 1f96 h ASP 20 N 0.63 0.78 -0.48 -0.69 5.19 -0.68 -0.20 116.42 120.97 1f96 h ASP 20 Ca 0.17 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1f96 h ASP 20 Cb 0.10 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 1f96 h ASP 20 CO -0.02 0.69 0.12 0.28 -3.12 0.00 0.00 179.24 177.19 1f96 h SER 21 N 0.85 0.72 -0.20 6.45 0.02 -0.91 0.57 113.55 121.05 1f96 h SER 21 Ca 0.20 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1f96 h SER 21 Cb 0.15 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1f96 h SER 21 CO -0.02 0.76 0.08 0.58 -1.14 0.00 0.00 176.83 177.09 1f96 h VAL 22 N 0.64 1.16 -0.34 2.27 2.07 -0.74 0.23 116.25 121.55 1f96 h VAL 22 Ca 0.15 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1f96 h VAL 22 Cb 0.32 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1f96 h VAL 22 CO 0.00 0.16 0.02 -0.33 0.02 0.00 0.00 177.57 177.45 1f96 h GLU 23 N 0.17 0.59 -0.20 1.57 5.08 -0.91 -1.39 114.58 119.50 1f96 h GLU 23 Ca 0.07 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1f96 h GLU 23 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1f96 h GLU 23 CO -0.01 0.70 -0.07 0.00 -1.00 0.00 0.00 179.01 178.63 1f96 h ALA 25 N 1.65 0.56 -0.23 0.00 0.00 -0.24 -1.76 119.26 119.24 1f96 h ALA 25 Ca 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1f96 h ALA 25 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1f96 h ALA 25 CO 0.01 0.69 0.11 1.15 0.00 0.00 0.00 179.25 181.21 1f96 h THR 26 N 0.57 1.14 -0.13 0.00 2.02 -0.63 -1.63 112.91 114.25 1f96 h THR 26 Ca 0.01 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1f96 h THR 26 Cb 1.14 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1f96 h THR 26 CO 0.12 0.14 0.08 -0.61 0.37 0.00 0.00 175.52 175.62 1f96 h GLN 27 N 0.24 0.17 -0.86 6.66 4.15 -1.27 -1.84 115.11 122.36 1f96 h GLN 27 Ca 0.08 -0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.66 1f96 h GLN 27 Cb 0.12 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 1f96 h GLN 27 CO -0.01 0.12 0.56 0.00 -1.93 0.00 0.00 178.83 177.57 1f96 h ALA 28 N 1.04 2.07 0.42 3.38 0.00 -1.13 -1.63 119.26 123.42 1f96 h ALA 28 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1f96 h ALA 28 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1f96 h ALA 28 CO -0.01 -0.32 -0.20 -0.07 0.00 0.00 0.00 179.25 178.64 1f96 h LEU 29 N 0.49 -0.48 -2.78 0.00 3.38 -0.46 -2.44 115.31 113.01 1f96 h LEU 29 Ca 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1f96 h LEU 29 Cb 0.95 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1f96 h LEU 29 CO -0.17 -0.23 0.04 1.05 0.09 0.00 0.00 178.44 179.22 1f96 h GLU 30 N -0.72 0.00 -0.28 1.13 4.11 -0.95 0.30 114.58 118.16 1f96 h GLU 30 Ca -0.06 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.20 1f96 h GLU 30 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1f96 h GLU 30 CO 0.10 0.00 -0.50 0.87 0.07 0.00 0.00 179.01 179.55 1f96 h LYS 31 N 0.00 0.84 0.00 1.06 1.79 -0.85 -3.45 116.57 115.96 1f96 h LYS 31 Ca 0.00 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1f96 h LYS 31 Cb 0.09 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1f96 h LYS 31 CO -0.00 1.16 0.00 0.66 -1.08 0.00 0.00 179.45 180.19 1f96 n TYR 32 N -4.07 -0.99 -2.63 -1.35 4.02 -0.51 -5.08 117.16 106.56 1f96 n TYR 32 Ca -0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.75 1f96 n TYR 32 Cb 0.60 0.29 0.05 0.00 -0.02 0.00 0.00 39.34 40.25 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 -2.08 -4.18 -1.29 7.72 2.85 0.95 -4.98 115.26 114.25 1f96 n ASN 33 Ca 0.00 -0.42 0.04 0.00 -0.11 0.00 0.00 54.58 54.09 1f96 n ASN 33 Cb 0.00 -3.35 0.05 0.00 1.24 0.00 0.00 39.78 37.72 1f96 n ASN 33 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1f96 n ILE 34 N -2.63 0.39 0.00 -1.44 5.41 -1.26 -5.03 119.36 114.80 1f96 n ILE 34 Ca -0.07 -1.35 0.00 0.00 1.00 0.00 0.00 62.75 62.33 1f96 n ILE 34 Cb 0.58 0.76 0.00 0.00 -0.71 0.00 0.00 39.64 40.27 1f96 n ILE 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f96 n GLU 35 N 0.19 0.00 0.26 0.38 4.71 -1.26 -4.18 120.64 120.73 1f96 n GLU 35 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 57.07 1f96 n GLU 35 Cb 1.05 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 31.40 1f96 n GLU 35 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1f96 h LYS 36 N 0.00 -0.77 -0.98 3.49 3.64 -1.96 -2.64 116.57 117.35 1f96 h LYS 36 Ca 0.00 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1f96 h LYS 36 Cb 0.00 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1f96 h LYS 36 CO 0.00 -0.51 0.64 -0.44 -2.27 0.00 0.00 179.45 176.87 1f96 h ASP 37 N -0.80 1.05 -0.67 4.20 5.19 -1.95 -2.07 116.42 121.37 1f96 h ASP 37 Ca -0.04 -0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.51 1f96 h ASP 37 Cb 0.70 -0.23 -0.10 0.00 0.18 0.00 0.00 39.33 39.87 1f96 h ASP 37 CO -0.03 0.71 0.11 0.40 -3.12 0.00 0.00 179.24 177.31 1f96 h ILE 38 N 1.22 0.53 0.00 0.35 2.04 -1.70 0.61 117.51 120.56 1f96 h ILE 38 Ca 0.40 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 66.14 1f96 h ILE 38 Cb 0.04 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1f96 h ILE 38 CO -0.14 0.04 -0.21 0.00 0.00 0.00 0.00 178.15 177.85 1f96 h ALA 39 N 1.57 1.25 -0.18 1.87 0.00 -1.04 -2.57 119.26 120.15 1f96 h ALA 39 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1f96 h ALA 39 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1f96 h ALA 39 CO -0.49 0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.10 1f96 h ALA 40 N 1.79 0.23 -0.12 0.00 0.00 0.59 0.34 119.26 122.09 1f96 h ALA 40 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1f96 h ALA 40 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1f96 h ALA 40 CO 0.03 -0.20 -0.06 0.45 0.00 0.00 0.00 179.25 179.47 1f96 h HIS 41 N 0.16 0.29 -0.44 0.00 3.86 -1.28 -2.41 115.15 115.33 1f96 h HIS 41 Ca 0.06 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1f96 h HIS 41 Cb 0.13 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1f96 h HIS 41 CO -0.02 0.60 0.17 0.82 0.86 0.00 0.00 177.93 180.36 1f96 h ILE 42 N -0.10 1.20 -0.15 2.45 2.04 -1.42 0.14 117.51 121.68 1f96 h ILE 42 Ca 0.03 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1f96 h ILE 42 Cb 0.52 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1f96 h ILE 42 CO 0.02 0.23 0.06 0.07 0.00 0.00 0.00 178.15 178.53 1f96 h LYS 43 N 0.56 0.22 -0.19 2.37 2.10 -0.37 -2.47 116.57 118.79 1f96 h LYS 43 Ca 0.15 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.67 1f96 h LYS 43 Cb 0.19 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1f96 h LYS 43 CO -0.01 0.29 -0.24 0.87 -2.00 0.00 0.00 179.45 178.36 1f96 h LYS 44 N 0.09 0.50 -0.15 0.07 1.57 -1.40 -1.19 116.57 116.07 1f96 h LYS 44 Ca 0.05 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1f96 h LYS 44 Cb 0.15 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1f96 h LYS 44 CO -0.00 0.87 -0.15 1.49 -0.57 0.00 0.00 179.45 181.09 1f96 h GLU 45 N 0.17 -0.17 -0.31 3.15 4.57 -0.71 0.32 114.58 121.59 1f96 h GLU 45 Ca 0.03 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1f96 h GLU 45 Cb 0.80 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1f96 h GLU 45 CO 0.06 -0.11 -0.36 0.74 -1.18 0.00 0.00 179.01 178.16 1f96 h PHE 46 N -0.17 0.96 -0.78 0.92 -1.00 -1.51 -1.18 116.94 114.17 1f96 h PHE 46 Ca 0.10 -0.30 0.06 0.00 2.81 0.00 0.00 57.97 60.63 1f96 h PHE 46 Cb 0.32 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.63 1f96 h PHE 46 CO -0.27 1.09 0.51 0.22 -1.61 0.00 0.00 178.31 178.25 1f96 h ASP 47 N 0.57 0.77 0.00 2.17 1.82 -0.84 0.61 116.42 121.51 1f96 h ASP 47 Ca 0.04 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.56 1f96 h ASP 47 Cb 0.94 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.80 1f96 h ASP 47 CO 0.09 0.51 -0.49 0.50 -1.61 0.00 0.00 179.24 178.23 1f96 h LYS 48 N 0.88 0.33 0.00 0.28 3.11 -0.23 -2.60 116.57 118.33 1f96 h LYS 48 Ca 0.33 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1f96 h LYS 48 Cb 0.18 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1f96 h LYS 48 CO -0.11 1.05 -0.06 0.87 -2.81 0.00 0.00 179.45 178.39 1f96 h LYS 49 N -0.25 0.00 0.00 1.90 1.79 -0.88 -3.39 116.57 115.75 1f96 h LYS 49 Ca -0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1f96 h LYS 49 Cb 1.22 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1f96 h LYS 49 CO 0.10 0.00 -0.16 1.88 -1.08 0.00 0.00 179.45 180.18 1f96 h TYR 50 N -0.60 0.00 0.00 -1.35 -1.99 -0.07 -3.50 116.97 109.46 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 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1f96 h TYR 50 CO -0.03 0.16 0.00 -1.71 -0.00 0.00 0.00 178.16 176.59 1f96 n ASN 51 N -3.19 -0.49 -4.24 3.88 5.15 -0.20 -4.98 115.26 111.19 1f96 n ASN 51 Ca 0.02 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.67 1f96 n ASN 51 Cb 0.51 0.39 0.16 0.00 -0.53 0.00 0.00 39.78 40.31 1f96 n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1f96 n PRO 52 N 1.04 -1.41 -3.97 1.20 -0.04 -1.12 -4.61 135.00 126.09 1f96 n PRO 52 Ca 0.00 -0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 62.73 1f96 n PRO 52 Cb 0.00 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 31.71 1f96 n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1f96 s THR 53 N -2.20 2.60 -0.20 0.52 -1.32 -0.99 -4.70 115.64 109.34 1f96 s THR 53 Ca 0.53 -1.76 -0.24 0.00 -1.21 0.00 0.00 61.69 59.02 1f96 s THR 53 Cb -0.09 -2.63 -0.01 0.00 -1.51 0.00 0.00 72.50 68.26 1f96 s THR 53 CO 0.66 -0.26 0.78 0.26 -2.21 0.00 0.00 174.62 173.85 1f96 s TRP 54 N 1.11 3.37 -0.12 9.09 0.52 -1.26 0.60 118.94 132.26 1f96 s TRP 54 Ca -0.01 1.13 -0.13 0.00 0.02 0.00 0.00 56.10 57.11 1f96 s TRP 54 Cb -0.20 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.11 1f96 s TRP 54 CO -0.04 -0.27 0.29 -1.01 0.02 0.00 0.00 176.95 175.93 1f96 s HIS 55 N 2.30 3.54 -0.01 -1.98 3.76 0.77 -4.81 115.29 118.86 1f96 s HIS 55 Ca 0.35 0.66 0.03 0.00 -0.15 0.00 0.00 55.06 55.94 1f96 s HIS 55 Cb -0.16 -2.26 -0.00 0.00 1.11 0.00 0.00 32.58 31.27 1f96 s HIS 55 CO 0.10 0.41 -0.09 0.00 -0.85 0.00 0.00 174.74 174.31 1f96 s ILE 57 N -0.08 0.24 -0.07 0.00 1.09 -0.64 -4.94 121.20 116.80 1f96 s ILE 57 Ca 0.01 -0.12 -0.05 0.00 -1.10 0.00 0.00 60.65 59.39 1f96 s ILE 57 Cb -0.05 -0.21 0.02 0.00 -1.06 0.00 0.00 42.46 41.16 1f96 s ILE 57 CO -0.00 0.07 0.18 -0.69 -0.10 0.00 0.00 174.94 174.40 1f96 s VAL 58 N -0.02 -0.01 0.00 2.92 1.01 -1.26 0.72 120.40 123.76 1f96 s VAL 58 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1f96 s VAL 58 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1f96 s VAL 58 CO -0.00 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1f96 n GLY 59 N 3.34 -0.66 1.31 4.51 0.00 -0.85 -4.60 105.19 108.24 1f96 n GLY 59 Ca -0.16 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.02 0.00 1.61 1.85 -1.26 -0.22 116.66 118.65 1f96 n ARG 60 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 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 -0.02 0.00 -3.64 2.89 4.05 -1.26 -5.01 115.26 112.27 1f96 n ASN 61 Ca -0.00 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.98 1f96 n ASN 61 Cb 0.45 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.40 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 -0.46 -0.09 1.20 -0.71 -1.26 -5.16 117.98 111.50 1f96 s PHE 62 Ca 0.00 1.01 -0.02 0.00 -1.04 0.00 0.00 56.93 56.88 1f96 s PHE 62 Cb 0.00 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.13 1f96 s PHE 62 CO 0.00 -0.23 -0.01 0.20 -1.34 0.00 0.00 175.22 173.85 1f96 s GLY 63 N 0.76 1.83 0.20 1.99 0.00 -1.26 -5.11 107.32 105.73 1f96 s GLY 63 Ca -0.03 -0.81 -0.23 0.00 0.00 0.00 0.00 44.72 43.65 1f96 s GLY 63 CO -0.11 -0.54 0.70 -1.35 0.00 0.00 0.00 173.10 171.80 1f96 s SER 64 N -0.78 -0.39 0.04 1.64 1.04 -1.26 -5.17 113.70 108.82 1f96 s SER 64 Ca 0.12 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1f96 s SER 64 Cb -0.11 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1f96 s SER 64 CO 0.02 -1.10 -0.10 -0.31 0.98 0.00 0.00 173.24 172.73 1f96 s TYR 65 N -3.73 0.87 0.23 5.02 1.51 -1.26 -5.16 117.35 114.81 1f96 s TYR 65 Ca 0.06 -0.43 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1f96 s TYR 65 Cb -0.03 -0.51 0.03 0.00 -0.11 0.00 0.00 41.96 41.34 1f96 s TYR 65 CO -0.03 -0.02 0.61 0.08 -1.11 0.00 0.00 175.55 175.08 1f96 s VAL 66 N -1.15 0.01 0.04 0.71 1.01 -1.26 -5.17 120.40 114.58 1f96 s VAL 66 Ca -0.05 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1f96 s VAL 66 Cb -0.09 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1f96 s VAL 66 CO 0.01 -0.04 -0.23 -0.89 0.00 0.00 0.00 175.10 173.95 1f96 s THR 67 N -3.88 2.38 -0.22 3.92 2.01 -1.26 -5.13 115.64 113.46 1f96 s THR 67 Ca 0.09 -1.30 -0.27 0.00 0.31 0.00 0.00 61.69 60.53 1f96 s THR 67 Cb -0.03 -1.95 0.10 0.00 0.01 0.00 0.00 72.50 70.63 1f96 s THR 67 CO 0.00 0.37 0.90 -1.38 -0.69 0.00 0.00 174.62 173.82 1f96 s HIS 68 N -0.84 -0.55 0.60 4.92 -3.43 -1.26 -4.92 115.29 109.81 1f96 s HIS 68 Ca 0.13 1.23 -0.19 0.00 -0.80 0.00 0.00 55.06 55.42 1f96 s HIS 68 Cb -0.10 0.37 -0.03 0.00 -1.43 0.00 0.00 32.58 31.38 1f96 s HIS 68 CO 0.03 -0.34 1.28 -1.83 -2.00 0.00 0.00 174.74 171.88 1f96 s GLU 69 N -0.20 2.87 0.75 -0.38 1.03 -1.26 -4.96 118.70 116.55 1f96 s GLU 69 Ca -0.01 2.03 -0.15 0.00 0.03 0.00 0.00 54.97 56.88 1f96 s GLU 69 Cb -0.03 -2.00 0.04 0.00 -0.80 0.00 0.00 34.13 31.34 1f96 s GLU 69 CO -0.01 -1.34 1.17 0.25 -1.33 0.00 0.00 175.26 174.00 1f96 n THR 70 N -1.53 2.90 -3.23 1.83 -2.24 -1.26 -3.29 114.28 107.46 1f96 n THR 70 Ca 0.13 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.43 1f96 n THR 70 Cb 0.48 -1.25 0.05 0.00 -2.10 0.00 0.00 70.33 67.51 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 -2.64 -5.53 -2.70 -0.78 4.76 -1.26 -4.92 118.16 105.09 1f96 n LYS 71 Ca 0.14 0.63 -0.07 0.00 -2.87 0.00 0.00 58.31 56.14 1f96 n LYS 71 Cb 0.50 -5.02 0.09 0.00 -1.84 0.00 0.00 35.03 28.76 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 -2.00 -3.65 2.13 8.25 -1.00 -4.85 115.22 109.77 1f96 n HIS 72 Ca -0.01 -1.64 -0.14 0.00 -0.26 0.00 0.00 57.72 55.67 1f96 n HIS 72 Cb 0.55 1.49 -0.08 0.00 1.12 0.00 0.00 29.99 33.08 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 0.18 -0.68 -0.27 4.41 5.36 -0.80 -3.36 117.98 122.81 1f96 s PHE 73 Ca 0.19 1.62 -0.23 0.00 -0.96 0.00 0.00 56.93 57.55 1f96 s PHE 73 Cb 0.29 0.25 0.08 0.00 -0.34 0.00 0.00 43.02 43.30 1f96 s PHE 73 CO -0.08 -0.37 0.74 -1.50 -1.46 0.00 0.00 175.22 172.55 1f96 s ILE 74 N 0.14 0.00 -0.05 3.12 2.07 -0.36 -1.64 121.20 124.49 1f96 s ILE 74 Ca -0.01 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1f96 s ILE 74 Cb -0.04 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.58 1f96 s ILE 74 CO 0.02 0.00 0.10 -0.47 -1.91 0.00 0.00 174.94 172.68 1f96 s TYR 75 N 0.63 -0.10 -0.28 3.50 5.04 -1.26 -1.97 117.35 122.92 1f96 s TYR 75 Ca -0.02 0.33 -0.24 0.00 -2.44 0.00 0.00 57.07 54.70 1f96 s TYR 75 Cb -0.05 -0.09 0.11 0.00 0.35 0.00 0.00 41.96 42.28 1f96 s TYR 75 CO -0.04 -0.11 0.92 -0.59 -1.34 0.00 0.00 175.55 174.39 1f96 s PHE 76 N 0.84 -0.61 0.33 4.97 -0.71 -0.92 -1.56 117.98 120.33 1f96 s PHE 76 Ca -0.07 1.43 -0.27 0.00 -1.04 0.00 0.00 56.93 56.99 1f96 s PHE 76 Cb -0.09 0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 41.98 1f96 s PHE 76 CO -0.04 -0.30 1.01 0.71 -1.34 0.00 0.00 175.22 175.27 1f96 s TYR 77 N 0.47 3.57 -0.25 3.49 2.02 0.28 -1.39 117.35 125.54 1f96 s TYR 77 Ca 0.00 1.74 -0.27 0.00 -0.37 0.00 0.00 57.07 58.17 1f96 s TYR 77 Cb -0.05 -3.07 0.14 0.00 -0.40 0.00 0.00 41.96 38.58 1f96 s TYR 77 CO -0.06 -0.18 1.10 -1.17 -1.57 0.00 0.00 175.55 173.67 1f96 s LEU 78 N -2.02 -0.35 -1.42 -1.29 2.96 -0.48 -0.76 118.68 115.33 1f96 s LEU 78 Ca 0.50 0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 54.89 1f96 s LEU 78 Cb -0.23 1.72 0.04 0.00 0.50 0.00 0.00 46.19 48.22 1f96 s LEU 78 CO 0.29 -0.18 1.08 0.61 -1.32 0.00 0.00 176.35 176.84 1f96 n GLY 79 N 1.60 -0.51 2.90 7.98 0.00 -1.26 -1.34 105.19 114.56 1f96 n GLY 79 Ca -0.11 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.82 -3.59 -3.64 1.61 6.02 -1.26 -4.95 117.38 106.75 1f96 n GLN 80 Ca 0.00 0.78 -0.09 0.00 -0.01 0.00 0.00 57.00 57.69 1f96 n GLN 80 Cb 0.55 -5.54 -0.07 0.00 1.02 0.00 0.00 30.24 26.21 1f96 n GLN 80 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1f96 s VAL 81 N -3.01 -0.00 0.06 5.09 -7.23 -0.45 -4.85 120.40 110.01 1f96 s VAL 81 Ca 0.23 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.09 1f96 s VAL 81 Cb -0.11 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 1f96 s VAL 81 CO 0.28 0.00 1.18 0.00 -0.31 0.00 0.00 175.10 176.25 1f96 s ALA 82 N 1.37 3.38 -0.07 1.32 0.00 0.69 -1.38 121.76 127.07 1f96 s ALA 82 Ca -0.08 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 1f96 s ALA 82 Cb -0.05 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1f96 s ALA 82 CO -0.15 -0.42 0.01 0.42 0.00 0.00 0.00 175.76 175.62 1f96 s ILE 83 N 1.02 4.39 -0.01 0.00 1.09 -0.48 -2.00 121.20 125.20 1f96 s ILE 83 Ca 0.58 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.90 1f96 s ILE 83 Cb -0.29 -2.87 -0.01 0.00 -1.06 0.00 0.00 42.46 38.23 1f96 s ILE 83 CO 0.29 0.57 -0.13 -0.22 -0.10 0.00 0.00 174.94 175.35 1f96 s LEU 84 N -1.01 2.00 -0.27 2.97 2.96 0.22 -2.16 118.68 123.39 1f96 s LEU 84 Ca 0.15 -0.23 -0.22 0.00 -0.22 0.00 0.00 54.13 53.61 1f96 s LEU 84 Cb -0.11 -0.66 0.07 0.00 0.50 0.00 0.00 46.19 45.98 1f96 s LEU 84 CO 0.04 0.15 0.71 -0.22 -1.32 0.00 0.00 176.35 175.70 1f96 s LEU 85 N -0.24 -0.81 -0.30 -0.68 2.96 -0.83 -1.63 118.68 117.16 1f96 s LEU 85 Ca 0.04 1.47 -0.16 0.00 -0.22 0.00 0.00 54.13 55.25 1f96 s LEU 85 Cb -0.06 2.43 0.19 0.00 0.50 0.00 0.00 46.19 49.26 1f96 s LEU 85 CO -0.00 -0.25 1.19 0.72 -1.32 0.00 0.00 176.35 176.69 1f96 s PHE 86 N 0.82 -0.20 0.70 5.38 -0.71 -0.63 -1.22 117.98 122.12 1f96 s PHE 86 Ca -0.04 0.40 -0.11 0.00 -1.04 0.00 0.00 56.93 56.14 1f96 s PHE 86 Cb -0.05 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.89 1f96 s PHE 86 CO -0.06 -0.10 1.08 -1.59 -1.34 0.00 0.00 175.22 173.21 1f96 s LYS 87 N 1.19 2.93 -0.06 1.99 -2.85 -1.21 -0.16 119.74 121.56 1f96 s LYS 87 Ca -0.08 0.58 -0.03 0.00 -1.00 0.00 0.00 55.97 55.44 1f96 s LYS 87 Cb -0.03 -2.02 0.03 0.00 -2.06 0.00 0.00 37.83 33.76 1f96 s LYS 87 CO -0.11 -1.01 0.15 0.45 0.10 0.00 0.00 175.35 174.92 1f96 s SER 88 N -4.22 -0.12 0.00 0.03 0.15 0.20 -4.46 113.70 105.27 1f96 s SER 88 Ca 0.58 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1f96 s SER 88 Cb -0.12 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1f96 s SER 88 CO 0.53 -0.13 0.52 0.61 1.20 0.00 0.00 173.24 175.97