#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k93 s THR 2 N 0.00 2.15 0.09 6.66 -4.23 -1.26 -5.03 115.64 114.02 2k93 s THR 2 Ca 0.00 -2.20 -0.05 0.00 -1.18 0.00 0.00 61.69 58.26 2k93 s THR 2 Cb 0.00 -2.12 -0.25 0.00 1.34 0.00 0.00 72.50 71.47 2k93 s THR 2 CO 0.00 -0.38 1.19 0.40 -0.54 0.00 0.00 174.62 175.29 2k93 h ILE 3 N 2.69 1.46 -0.93 2.99 5.03 -1.93 -3.32 117.51 123.49 2k93 h ILE 3 Ca -0.41 -2.83 0.15 0.00 -0.12 0.00 0.00 64.86 61.65 2k93 h ILE 3 Cb 1.23 2.76 -0.15 0.00 -3.03 0.00 0.00 36.82 37.64 2k93 h ILE 3 CO 0.57 0.83 -0.36 1.21 -0.68 0.00 0.00 178.15 179.72 2k93 n GLU 4 N -3.62 -0.21 -0.32 2.37 2.13 -1.26 0.18 120.64 119.90 2k93 n GLU 4 Ca -0.08 1.43 0.18 0.00 0.66 0.00 0.00 57.16 59.35 2k93 n GLU 4 Cb 0.96 -2.13 0.37 0.00 0.27 0.00 0.00 31.44 30.91 2k93 n GLU 4 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2k93 h GLU 5 N 0.00 0.12 0.00 5.31 4.11 -2.00 1.61 114.58 123.72 2k93 h GLU 5 Ca 0.33 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.56 2k93 h GLU 5 Cb 0.56 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2k93 h GLU 5 CO -0.92 0.08 -0.90 0.00 0.07 0.00 0.00 179.01 177.33 2k93 h ARG 6 N 0.12 0.00 0.54 1.06 3.08 0.16 -3.08 114.38 116.26 2k93 h ARG 6 Ca 0.64 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.67 2k93 h ARG 6 Cb 1.43 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.48 2k93 h ARG 6 CO -0.75 0.90 -0.26 0.28 -1.07 0.00 0.00 179.97 179.07 2k93 h VAL 7 N 0.00 0.00 -0.93 2.04 2.07 0.59 0.23 116.25 120.25 2k93 h VAL 7 Ca -0.01 -0.22 0.26 0.00 0.82 0.00 0.00 66.70 67.55 2k93 h VAL 7 Cb 1.66 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.29 2k93 h VAL 7 CO 0.12 0.00 0.40 0.11 0.02 0.00 0.00 177.57 178.21 2k93 h LYS 8 N -0.95 0.30 0.54 1.57 1.57 0.13 1.56 116.57 121.28 2k93 h LYS 8 Ca -0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2k93 h LYS 8 Cb 0.56 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.81 2k93 h LYS 8 CO 0.12 0.20 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.72 2k93 h LYS 9 N 0.31 -0.70 -0.73 3.15 3.64 -1.44 -2.64 116.57 118.16 2k93 h LYS 9 Ca 0.62 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 60.20 2k93 h LYS 9 Cb 1.28 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 33.15 2k93 h LYS 9 CO -0.60 -0.46 0.21 0.82 -2.27 0.00 0.00 179.45 177.14 2k93 h ILE 10 N -0.82 0.55 -1.18 2.00 1.08 0.92 0.76 117.51 120.82 2k93 h ILE 10 Ca -0.07 -0.11 0.33 0.00 -0.39 0.00 0.00 64.86 64.62 2k93 h ILE 10 Cb 0.55 0.22 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 2k93 h ILE 10 CO 0.12 0.06 0.81 0.40 -0.69 0.00 0.00 178.15 178.84 2k93 h ILE 11 N 0.31 0.40 0.00 -0.67 1.08 0.23 1.90 117.51 120.75 2k93 h ILE 11 Ca 0.41 -0.05 -0.12 0.00 -0.39 0.00 0.00 64.86 64.70 2k93 h ILE 11 Cb 0.68 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 2k93 h ILE 11 CO -0.48 0.03 -0.59 1.23 -0.69 0.00 0.00 178.15 177.65 2k93 h GLY 12 N 0.16 0.00 1.74 5.37 0.00 0.91 -2.76 103.07 108.49 2k93 h GLY 12 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2k93 h GLY 12 CO -0.16 0.00 -0.21 1.46 0.00 0.00 0.00 176.54 177.62 2k93 h GLN 13 N 0.00 0.00 -0.78 4.80 1.08 0.31 0.78 115.11 121.30 2k93 h GLN 13 Ca -0.01 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2k93 h GLN 13 Cb 1.08 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.47 2k93 h GLN 13 CO 0.08 0.00 0.52 1.96 -0.95 0.00 0.00 178.83 180.43 2k93 h GLN 14 N 0.00 0.97 0.00 1.46 1.08 -0.57 -3.41 115.11 114.64 2k93 h GLN 14 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2k93 h GLN 14 Cb 0.82 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2k93 h GLN 14 CO 0.00 0.64 -0.01 -0.11 -0.95 0.00 0.00 178.83 178.41 2k93 n LEU 15 N -4.44 -0.10 0.00 1.46 7.94 -1.23 -4.05 117.00 116.58 2k93 n LEU 15 Ca 0.10 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 2k93 n LEU 15 Cb 0.08 0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2k93 n LEU 15 CO 0.35 -0.68 0.00 0.61 -1.11 0.00 0.00 177.39 176.56 2k93 n GLY 16 N 1.53 0.52 2.98 -3.96 0.00 0.26 -5.10 105.19 101.42 2k93 n GLY 16 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2k93 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k93 n VAL 17 N 0.00 0.00 -0.89 1.61 0.24 -1.19 -5.06 118.33 113.04 2k93 n VAL 17 Ca 0.00 -2.14 0.00 0.00 -2.04 0.00 0.00 64.34 60.16 2k93 n VAL 17 Cb 0.00 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 2k93 n VAL 17 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2k93 n LYS 18 N -0.57 3.76 -0.11 7.34 4.81 -1.26 -4.71 118.16 127.42 2k93 n LYS 18 Ca 0.06 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.35 2k93 n LYS 18 Cb 0.55 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.50 2k93 n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k93 n GLN 19 N 0.00 0.54 0.12 1.64 10.64 -1.26 -3.98 117.38 125.08 2k93 n GLN 19 Ca 0.00 0.13 0.13 0.00 -1.83 0.00 0.00 57.00 55.43 2k93 n GLN 19 Cb 0.00 -1.43 0.43 0.00 -0.86 0.00 0.00 30.24 28.38 2k93 n GLN 19 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2k93 n GLU 20 N -3.17 0.25 0.03 2.61 1.02 -1.26 -1.84 120.64 118.28 2k93 n GLU 20 Ca -0.39 0.29 0.12 0.00 -0.02 0.00 0.00 57.16 57.15 2k93 n GLU 20 Cb 0.91 -1.84 0.09 0.00 -0.02 0.00 0.00 31.44 30.59 2k93 n GLU 20 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k93 n GLU 21 N -2.27 0.25 -2.04 3.49 1.02 -1.26 -4.04 120.64 115.78 2k93 n GLU 21 Ca 0.04 0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 2k93 n GLU 21 Cb 0.37 -1.61 0.06 0.00 -0.02 0.00 0.00 31.44 30.24 2k93 n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k93 n VAL 22 N -1.95 1.69 -1.00 2.62 0.31 -1.04 -4.82 118.33 114.14 2k93 n VAL 22 Ca 0.03 -3.17 -0.36 0.00 -0.01 0.00 0.00 64.34 60.83 2k93 n VAL 22 Cb 0.42 0.16 0.04 0.00 -0.91 0.00 0.00 33.84 33.55 2k93 n VAL 22 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k93 n THR 23 N -0.56 0.01 -2.54 2.52 -2.24 -0.76 -4.70 114.28 106.01 2k93 n THR 23 Ca 0.22 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2k93 n THR 23 Cb 0.89 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 2k93 n THR 23 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2k93 s ASN 24 N -1.08 6.65 0.00 3.42 0.01 -1.26 -2.84 114.94 119.84 2k93 s ASN 24 Ca 0.42 -2.23 0.00 0.00 -0.71 0.00 0.00 52.86 50.34 2k93 s ASN 24 Cb -0.20 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.88 2k93 s ASN 24 CO 0.81 -1.37 0.00 -3.20 -1.51 0.00 0.00 177.10 171.83 2k93 n ASN 25 N 8.94 0.00 -4.38 -1.22 5.15 -1.26 -4.90 115.26 117.58 2k93 n ASN 25 Ca 0.46 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.15 2k93 n ASN 25 Cb 0.47 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.95 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k93 n ALA 26 N 0.00 -3.54 -3.10 5.20 0.00 -1.13 -4.86 120.51 113.08 2k93 n ALA 26 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 53.44 52.05 2k93 n ALA 26 Cb 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 2k93 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k93 s SER 27 N -2.16 -0.10 0.00 0.00 0.15 -1.26 -3.82 113.70 106.50 2k93 s SER 27 Ca 0.64 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2k93 s SER 27 Cb -0.20 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2k93 s SER 27 CO 0.66 -0.22 0.89 0.49 1.20 0.00 0.00 173.24 176.26 2k93 n PHE 28 N 2.20 0.00 0.29 3.44 3.01 -1.24 0.21 117.46 125.37 2k93 n PHE 28 Ca -0.18 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.47 2k93 n PHE 28 Cb 0.57 -0.41 0.94 0.00 -0.01 0.00 0.00 39.48 40.57 2k93 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k93 h VAL 29 N 0.00 0.00 0.00 -4.37 2.07 -1.89 0.51 116.25 112.57 2k93 h VAL 29 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k93 h VAL 29 Cb 0.00 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2k93 h VAL 29 CO 0.00 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 2k93 n GLU 30 N -2.83 0.00 0.00 1.57 1.02 0.42 -4.85 120.64 115.96 2k93 n GLU 30 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2k93 n GLU 30 Cb 0.11 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 2k93 n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k93 n ASP 31 N 0.00 0.32 -0.90 1.62 -0.08 0.43 -4.75 116.55 113.19 2k93 n ASP 31 Ca 0.00 -1.14 0.03 0.00 -1.51 0.00 0.00 54.79 52.17 2k93 n ASP 31 Cb 0.00 0.00 0.15 0.00 2.34 0.00 0.00 41.12 43.61 2k93 n ASP 31 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2k93 n LEU 32 N -0.07 2.47 -2.88 -2.67 0.00 0.57 -4.76 117.00 109.67 2k93 n LEU 32 Ca 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 56.01 54.71 2k93 n LEU 32 Cb 0.40 -0.46 0.01 0.00 0.00 0.00 0.00 43.42 43.36 2k93 n LEU 32 CO 0.00 0.39 -0.34 0.61 0.00 0.00 0.00 177.39 178.05 2k93 n GLY 33 N 0.45 -2.63 2.93 -3.96 0.00 -0.97 -4.38 105.19 96.63 2k93 n GLY 33 Ca 0.10 0.66 -0.40 0.00 0.00 0.00 0.00 46.02 46.39 2k93 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k93 n ALA 34 N 0.47 4.08 -2.70 4.61 0.00 0.17 -4.79 120.51 122.35 2k93 n ALA 34 Ca 0.02 -3.24 -0.37 0.00 0.00 0.00 0.00 53.44 49.85 2k93 n ALA 34 Cb 0.24 -3.52 -0.07 0.00 0.00 0.00 0.00 19.45 16.10 2k93 n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k93 s ASP 35 N 4.33 6.53 0.37 0.00 1.11 -1.26 -4.87 116.67 122.88 2k93 s ASP 35 Ca 0.53 0.63 0.16 0.00 0.18 0.00 0.00 52.55 54.05 2k93 s ASP 35 Cb 0.14 -2.20 1.07 0.00 1.07 0.00 0.00 42.92 43.00 2k93 s ASP 35 CO 0.05 0.15 1.72 0.28 1.18 0.00 0.00 175.17 178.55 2k93 h SER 36 N 6.19 0.51 -0.28 0.27 0.02 -1.98 1.55 113.55 119.81 2k93 h SER 36 Ca -0.44 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 2k93 h SER 36 Cb 1.18 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 2k93 h SER 36 CO 0.72 0.02 0.02 -0.07 -1.14 0.00 0.00 176.83 176.38 2k93 h LEU 37 N 0.40 0.55 0.08 5.07 3.38 -1.93 0.74 115.31 123.61 2k93 h LEU 37 Ca 0.66 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 2k93 h LEU 37 Cb 1.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2k93 h LEU 37 CO -0.42 0.61 -0.04 0.44 0.09 0.00 0.00 178.44 179.12 2k93 h ASP 38 N 0.57 -0.09 0.09 -0.43 3.32 0.20 1.49 116.42 121.56 2k93 h ASP 38 Ca 0.12 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2k93 h ASP 38 Cb 0.33 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2k93 h ASP 38 CO 0.01 0.36 -0.17 0.74 -1.72 0.00 0.00 179.24 178.46 2k93 h THR 39 N -0.58 1.18 0.24 0.35 2.02 -0.73 -1.40 112.91 114.00 2k93 h THR 39 Ca -0.01 -0.84 -0.32 0.00 0.77 0.00 0.00 66.41 66.01 2k93 h THR 39 Cb 0.48 1.30 0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2k93 h THR 39 CO 0.02 0.25 -1.43 0.58 0.37 0.00 0.00 175.52 175.31 2k93 h VAL 40 N 0.17 1.28 0.00 3.16 2.07 0.58 -3.19 116.25 120.32 2k93 h VAL 40 Ca 0.03 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 64.88 2k93 h VAL 40 Cb 0.41 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2k93 h VAL 40 CO 0.03 0.80 -0.01 -0.33 0.02 0.00 0.00 177.57 178.08 2k93 h GLU 41 N 0.09 0.00 0.00 1.57 4.39 0.25 0.71 114.58 121.59 2k93 h GLU 41 Ca -0.25 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.28 2k93 h GLU 41 Cb 2.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.74 2k93 h GLU 41 CO 0.26 0.01 -0.80 1.25 -1.16 0.00 0.00 179.01 178.57 2k93 h LEU 42 N 0.00 0.00 0.00 1.33 5.85 -1.25 1.46 115.31 122.69 2k93 h LEU 42 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2k93 h LEU 42 Cb 0.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2k93 h LEU 42 CO 0.00 0.80 -0.67 0.58 -0.34 0.00 0.00 178.44 178.81 2k93 h VAL 43 N 0.00 1.04 0.08 1.05 2.07 -0.93 -3.00 116.25 116.56 2k93 h VAL 43 Ca -0.01 -2.49 -0.37 0.00 0.82 0.00 0.00 66.70 64.65 2k93 h VAL 43 Cb 1.45 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 33.69 2k93 h VAL 43 CO 0.10 0.59 -2.17 0.23 0.02 0.00 0.00 177.57 176.35 2k93 n MET 44 N -3.24 0.72 -0.09 1.57 2.81 -0.65 -3.22 117.12 115.03 2k93 n MET 44 Ca 0.01 0.22 -0.06 0.00 -1.81 0.00 0.00 57.70 56.05 2k93 n MET 44 Cb 0.79 -1.64 0.01 0.00 -0.71 0.00 0.00 33.22 31.66 2k93 n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k93 h ALA 45 N 0.07 0.34 -0.14 3.04 0.00 0.19 1.58 119.26 124.34 2k93 h ALA 45 Ca -0.48 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2k93 h ALA 45 Cb 1.99 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 2k93 h ALA 45 CO 0.03 -0.34 -0.35 -0.07 0.00 0.00 0.00 179.25 178.51 2k93 h LEU 46 N 0.18 0.29 -0.43 0.00 3.38 -1.71 1.48 115.31 118.50 2k93 h LEU 46 Ca 0.15 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2k93 h LEU 46 Cb 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2k93 h LEU 46 CO -0.20 0.63 -0.56 -0.33 0.09 0.00 0.00 178.44 178.06 2k93 h GLU 47 N 0.24 0.67 0.00 1.13 4.39 -1.07 0.32 114.58 120.26 2k93 h GLU 47 Ca 0.03 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2k93 h GLU 47 Cb 0.74 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2k93 h GLU 47 CO 0.06 1.05 -0.72 -1.91 -1.16 0.00 0.00 179.01 176.32 2k93 n GLU 48 N -3.97 0.29 -0.04 2.33 2.13 0.52 -2.18 120.64 119.73 2k93 n GLU 48 Ca -0.04 0.06 -0.01 0.00 0.66 0.00 0.00 57.16 57.83 2k93 n GLU 48 Cb 0.62 -1.66 -0.00 0.00 0.27 0.00 0.00 31.44 30.67 2k93 n GLU 48 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k93 h GLU 49 N 0.00 0.00 -0.26 5.31 4.22 0.22 -3.44 114.58 120.63 2k93 h GLU 49 Ca 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.23 2k93 h GLU 49 Cb 0.74 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.63 2k93 h GLU 49 CO 0.00 0.00 -0.96 1.19 -2.18 0.00 0.00 179.01 177.06 2k93 n PHE 50 N -3.79 0.51 -3.68 0.92 3.01 -0.05 -5.02 117.46 109.36 2k93 n PHE 50 Ca -0.02 -1.63 -0.22 0.00 1.01 0.00 0.00 57.45 56.60 2k93 n PHE 50 Cb 0.06 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2k93 n ASP 51 N -0.43 -5.32 -2.46 4.37 2.03 0.23 -4.90 116.55 110.08 2k93 n ASP 51 Ca 0.02 -0.84 -0.15 0.00 0.52 0.00 0.00 54.79 54.34 2k93 n ASP 51 Cb 0.89 -2.32 0.03 0.00 -0.72 0.00 0.00 41.12 38.99 2k93 n ASP 51 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2k93 n THR 52 N -2.65 1.87 -0.88 5.18 -2.24 0.87 -4.86 114.28 111.58 2k93 n THR 52 Ca -0.25 -3.79 -0.25 0.00 -2.27 0.00 0.00 64.05 57.49 2k93 n THR 52 Cb 0.65 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 2k93 n THR 52 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k93 n GLU 53 N -0.52 0.00 -3.15 -0.78 0.28 -1.26 -4.50 120.64 110.71 2k93 n GLU 53 Ca 0.26 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.87 2k93 n GLU 53 Cb 0.83 -0.88 -0.05 0.00 1.43 0.00 0.00 31.44 32.77 2k93 n GLU 53 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2k93 s ILE 54 N 5.24 4.98 0.13 3.84 -1.09 -1.25 -5.02 121.20 128.03 2k93 s ILE 54 Ca 0.80 1.31 -0.02 0.00 -2.23 0.00 0.00 60.65 60.50 2k93 s ILE 54 Cb -0.75 -3.97 0.03 0.00 -1.58 0.00 0.00 42.46 36.19 2k93 s ILE 54 CO 0.29 0.35 0.15 -0.81 -1.23 0.00 0.00 174.94 173.69 2k93 n PRO 55 N 3.21 -0.71 0.05 2.79 -0.04 -1.26 -4.37 135.00 134.66 2k93 n PRO 55 Ca -0.05 -0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.30 2k93 n PRO 55 Cb 0.51 -0.18 0.08 0.00 -0.04 0.00 0.00 33.50 33.87 2k93 n PRO 55 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k93 n ASP 56 N -3.16 0.66 -0.06 3.54 -0.08 -1.26 -3.41 116.55 112.77 2k93 n ASP 56 Ca 0.02 -0.01 -0.06 0.00 -1.51 0.00 0.00 54.79 53.23 2k93 n ASP 56 Cb 0.07 0.51 -0.05 0.00 2.34 0.00 0.00 41.12 44.00 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2k93 h GLU 57 N 0.00 0.00 -0.02 -0.67 4.81 -2.01 -3.30 114.58 113.39 2k93 h GLU 57 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k93 h GLU 57 Cb 0.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k93 h GLU 57 CO 0.00 0.37 0.02 0.93 -0.73 0.00 0.00 179.01 179.60 2k93 h GLU 58 N -1.00 0.00 -0.22 1.92 4.39 -1.96 -1.61 114.58 116.09 2k93 h GLU 58 Ca -0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.70 2k93 h GLU 58 Cb 0.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2k93 h GLU 58 CO -0.01 0.00 0.09 0.00 -1.16 0.00 0.00 179.01 177.93 2k93 h ALA 59 N 1.98 0.26 -0.19 3.43 0.00 -1.65 -0.40 119.26 122.68 2k93 h ALA 59 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2k93 h ALA 59 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k93 h ALA 59 CO -0.00 -0.33 0.15 0.93 0.00 0.00 0.00 179.25 180.01 2k93 h GLU 60 N 0.20 0.00 -0.09 0.00 5.08 -1.37 0.81 114.58 119.22 2k93 h GLU 60 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2k93 h GLU 60 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k93 h GLU 60 CO -0.09 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.09 2k93 n LYS 61 N -4.27 1.28 -1.71 2.33 4.81 -0.20 -3.17 118.16 117.24 2k93 n LYS 61 Ca 0.02 -0.43 0.03 0.00 -0.87 0.00 0.00 58.31 57.06 2k93 n LYS 61 Cb 0.29 -1.24 0.02 0.00 0.02 0.00 0.00 35.03 34.12 2k93 n LYS 61 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2k93 n ILE 62 N -0.28 0.21 -0.08 3.15 5.41 0.27 -4.93 119.36 123.12 2k93 n ILE 62 Ca 0.11 -1.26 -0.10 0.00 1.00 0.00 0.00 62.75 62.50 2k93 n ILE 62 Cb 0.14 1.02 -0.04 0.00 -0.71 0.00 0.00 39.64 40.05 2k93 n ILE 62 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2k93 h THR 63 N 6.61 0.16 -2.10 1.39 1.35 -1.29 -3.42 112.91 115.60 2k93 h THR 63 Ca -0.24 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.38 2k93 h THR 63 Cb 1.76 0.16 0.14 0.00 -1.73 0.00 0.00 68.15 68.48 2k93 h THR 63 CO 0.09 0.00 -0.25 0.35 -0.25 0.00 0.00 175.52 175.45 2k93 n THR 64 N -5.42 0.00 -0.10 6.82 -2.24 -1.26 -3.71 114.28 108.37 2k93 n THR 64 Ca -0.01 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 2k93 n THR 64 Cb 0.35 -0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 67.90 2k93 n THR 64 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2k93 n VAL 65 N -4.59 1.57 0.59 2.28 3.14 -1.25 -4.11 118.33 115.96 2k93 n VAL 65 Ca 0.07 -0.53 0.07 0.00 -2.96 0.00 0.00 64.34 60.98 2k93 n VAL 65 Cb 0.38 -1.60 0.33 0.00 -1.06 0.00 0.00 33.84 31.89 2k93 n VAL 65 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2k93 n GLN 66 N -3.53 0.12 0.10 1.45 -0.06 -1.26 -1.88 117.38 112.32 2k93 n GLN 66 Ca -0.43 0.20 -0.05 0.00 -2.00 0.00 0.00 57.00 54.72 2k93 n GLN 66 Cb 0.97 -1.50 0.09 0.00 -4.06 0.00 0.00 30.24 25.74 2k93 n GLN 66 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2k93 h ALA 67 N 2.59 0.77 -0.19 1.69 0.00 -1.86 -1.79 119.26 120.47 2k93 h ALA 67 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k93 h ALA 67 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k93 h ALA 67 CO 0.00 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.07 2k93 n ALA 68 N -2.45 2.49 -0.03 0.00 0.00 -0.79 -2.79 120.51 116.94 2k93 n ALA 68 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 2k93 n ALA 68 Cb 0.69 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 2k93 n ALA 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k93 n ILE 69 N 0.06 0.38 0.04 0.00 -0.00 -0.92 -4.06 119.36 114.86 2k93 n ILE 69 Ca 0.06 -0.18 -0.09 0.00 -0.00 0.00 0.00 62.75 62.54 2k93 n ILE 69 Cb 0.18 -0.79 0.04 0.00 -0.00 0.00 0.00 39.64 39.07 2k93 n ILE 69 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2k93 h ASP 70 N 0.00 0.51 0.24 4.38 3.58 -1.35 0.19 116.42 123.97 2k93 h ASP 70 Ca -0.15 -0.31 -0.25 0.00 0.42 0.00 0.00 57.03 56.74 2k93 h ASP 70 Cb 1.27 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.18 2k93 h ASP 70 CO -0.01 1.04 -1.01 0.22 -2.88 0.00 0.00 179.24 176.59 2k93 h TYR 71 N 0.31 0.76 -0.03 0.28 3.20 -1.78 -3.23 116.97 116.48 2k93 h TYR 71 Ca -0.02 -0.43 -0.19 0.00 3.14 0.00 0.00 58.73 61.23 2k93 h TYR 71 Cb 1.24 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2k93 h TYR 71 CO 0.04 1.26 -0.80 0.82 -1.64 0.00 0.00 178.16 177.84 2k93 h ILE 72 N 0.27 1.42 -1.07 1.81 1.08 -1.69 -2.99 117.51 116.34 2k93 h ILE 72 Ca -0.11 -2.34 0.31 0.00 -0.39 0.00 0.00 64.86 62.33 2k93 h ILE 72 Cb 1.66 2.28 -0.04 0.00 -3.07 0.00 0.00 36.82 37.65 2k93 h ILE 72 CO 0.18 0.69 0.80 -1.13 -0.69 0.00 0.00 178.15 178.01 2k93 h ASN 73 N 0.19 0.00 -0.14 1.72 -0.73 -0.62 0.54 115.58 116.54 2k93 h ASN 73 Ca -0.04 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.17 2k93 h ASN 73 Cb 1.40 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.98 2k93 h ASN 73 CO 0.13 0.00 0.56 1.23 -0.37 0.00 0.00 177.43 178.98 2k93 h GLY 74 N 0.00 0.00 0.34 1.57 0.00 -1.62 0.19 103.07 103.55 2k93 h GLY 74 Ca 0.51 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.88 2k93 h GLY 74 CO -0.01 0.00 -0.27 0.84 0.00 0.00 0.00 176.54 177.11 2k93 h HIS 75 N 0.00 -0.72 0.00 5.60 -0.00 -0.15 -2.07 115.15 117.81 2k93 h HIS 75 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2k93 h HIS 75 Cb 1.19 0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.93 2k93 h HIS 75 CO 0.00 -0.36 -0.61 -0.56 -0.00 0.00 0.00 177.93 176.40 2k93 h GLN 76 N -0.38 0.00 0.00 5.26 3.07 -1.23 -3.54 115.11 118.29 2k93 h GLN 76 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 2k93 h GLN 76 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2k93 h GLN 76 CO -0.27 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.65