#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 2.67 0.06 0.44 -4.23 -1.26 -5.04 115.64 108.28 2k93 s THR 2 Ca 0.00 -2.20 -0.19 0.00 -1.18 0.00 0.00 61.69 58.12 2k93 s THR 2 Cb 0.00 -2.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.22 2k93 s THR 2 CO 0.00 -0.33 1.30 0.40 -0.54 0.00 0.00 174.62 175.45 2k93 h ILE 3 N 2.08 0.00 -0.58 2.99 1.08 -1.99 -2.06 117.51 119.02 2k93 h ILE 3 Ca -0.42 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.14 2k93 h ILE 3 Cb 1.25 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.90 2k93 h ILE 3 CO 0.63 0.00 -0.46 -0.08 -0.69 0.00 0.00 178.15 177.55 2k93 h GLU 4 N -0.37 -0.23 -0.85 2.37 4.22 -1.92 0.21 114.58 118.01 2k93 h GLU 4 Ca 0.01 0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.64 2k93 h GLU 4 Cb 0.39 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.53 2k93 h GLU 4 CO -0.20 -0.15 -0.20 -1.91 -2.18 0.00 0.00 179.01 174.38 2k93 n GLU 5 N -5.40 -0.08 -0.08 1.92 2.13 -0.91 0.17 120.64 118.40 2k93 n GLU 5 Ca 0.01 1.32 -0.14 0.00 0.66 0.00 0.00 57.16 59.02 2k93 n GLU 5 Cb 0.34 -1.98 -0.05 0.00 0.27 0.00 0.00 31.44 30.02 2k93 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k93 h ARG 6 N 0.00 0.69 -0.62 5.31 3.08 -0.06 -2.41 114.38 120.37 2k93 h ARG 6 Ca 0.42 -0.39 0.12 0.00 0.07 0.00 0.00 59.98 60.20 2k93 h ARG 6 Cb 0.65 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.64 2k93 h ARG 6 CO -0.87 1.00 0.14 0.28 -1.07 0.00 0.00 179.97 179.45 2k93 h VAL 7 N 0.42 0.63 -0.42 2.04 2.07 0.46 0.89 116.25 122.34 2k93 h VAL 7 Ca 0.04 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2k93 h VAL 7 Cb 0.90 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2k93 h VAL 7 CO 0.08 0.05 0.21 0.11 0.02 0.00 0.00 177.57 178.04 2k93 h LYS 8 N 0.27 0.59 0.08 1.57 1.79 -0.12 -0.84 116.57 119.91 2k93 h LYS 8 Ca 0.33 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.73 2k93 h LYS 8 Cb 0.50 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 2k93 h LYS 8 CO -0.41 0.49 -0.31 -0.22 -1.08 0.00 0.00 179.45 177.92 2k93 h LYS 9 N 0.53 -0.42 -0.40 3.15 3.11 -0.41 1.44 116.57 123.57 2k93 h LYS 9 Ca 0.14 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 58.08 2k93 h LYS 9 Cb 0.09 0.10 -0.09 0.00 -1.00 0.00 0.00 32.23 31.33 2k93 h LYS 9 CO -0.02 -0.28 -0.42 0.82 -2.81 0.00 0.00 179.45 176.74 2k93 h ILE 10 N -0.44 0.12 -0.68 2.00 1.08 -0.88 0.24 117.51 118.94 2k93 h ILE 10 Ca -0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 2k93 h ILE 10 Cb 0.44 0.12 -0.09 0.00 -3.07 0.00 0.00 36.82 34.22 2k93 h ILE 10 CO -0.16 0.00 0.22 0.40 -0.69 0.00 0.00 178.15 177.91 2k93 h ILE 11 N -0.32 0.65 -0.51 -0.67 2.04 -0.67 0.60 117.51 118.63 2k93 h ILE 11 Ca 0.14 -0.12 0.15 0.00 1.00 0.00 0.00 64.86 66.03 2k93 h ILE 11 Cb 0.58 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2k93 h ILE 11 CO -0.57 0.06 0.50 1.23 0.00 0.00 0.00 178.15 179.38 2k93 h GLY 12 N 0.35 0.00 0.25 5.37 0.00 0.54 -0.78 103.07 108.80 2k93 h GLY 12 Ca 0.37 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.44 2k93 h GLY 12 CO -0.40 0.00 -1.40 -1.61 0.00 0.00 0.00 176.54 173.12 2k93 h GLN 13 N 0.00 0.11 -1.67 4.80 4.15 0.10 1.44 115.11 124.04 2k93 h GLN 13 Ca 0.24 -0.19 0.48 0.00 0.77 0.00 0.00 58.65 59.96 2k93 h GLN 13 Cb 1.25 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.94 2k93 h GLN 13 CO -0.00 1.09 1.26 1.96 -1.93 0.00 0.00 178.83 181.21 2k93 h GLN 14 N -0.61 0.00 0.00 1.69 4.20 0.61 -3.12 115.11 117.87 2k93 h GLN 14 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2k93 h GLN 14 Cb 1.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.33 2k93 h GLN 14 CO -0.08 0.00 -0.01 1.47 -0.67 0.00 0.00 178.83 179.54 2k93 n LEU 15 N -3.91 1.00 0.00 1.46 -0.00 -1.01 -4.56 117.00 109.98 2k93 n LEU 15 Ca 0.37 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 2k93 n LEU 15 Cb 1.77 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 44.92 2k93 n LEU 15 CO 0.41 -0.75 0.00 0.61 -0.00 0.00 0.00 177.39 177.66 2k93 n GLY 16 N 3.33 0.41 3.79 1.47 0.00 0.21 -5.09 105.19 109.31 2k93 n GLY 16 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2k93 n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k93 s VAL 17 N 0.00 0.00 0.00 1.61 -7.23 0.43 -4.98 120.40 110.23 2k93 s VAL 17 Ca 0.00 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2k93 s VAL 17 Cb 0.00 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.95 2k93 s VAL 17 CO 0.00 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 175.96 2k93 n LYS 18 N -0.54 3.55 -0.12 4.82 4.81 -1.26 -4.37 118.16 125.04 2k93 n LYS 18 Ca -0.09 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.12 2k93 n LYS 18 Cb 0.60 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.56 2k93 n LYS 18 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2k93 n GLN 19 N 0.00 0.54 0.11 1.64 7.27 -1.26 -4.33 117.38 121.35 2k93 n GLN 19 Ca 0.00 0.20 0.13 0.00 0.07 0.00 0.00 57.00 57.40 2k93 n GLN 19 Cb 0.00 -1.40 0.44 0.00 2.41 0.00 0.00 30.24 31.69 2k93 n GLN 19 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2k93 n GLU 20 N -3.83 0.24 0.12 3.69 0.28 -1.26 -2.46 120.64 117.41 2k93 n GLU 20 Ca -0.46 0.29 0.13 0.00 -0.16 0.00 0.00 57.16 56.95 2k93 n GLU 20 Cb 0.87 -1.83 0.41 0.00 1.43 0.00 0.00 31.44 32.32 2k93 n GLU 20 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2k93 h GLU 21 N 0.00 0.00 -0.25 3.44 5.08 -1.96 -3.16 114.58 117.73 2k93 h GLU 21 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2k93 h GLU 21 Cb 0.60 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.60 2k93 h GLU 21 CO 0.00 0.00 -0.78 0.28 -1.00 0.00 0.00 179.01 177.51 2k93 n VAL 22 N -2.32 1.68 0.00 3.13 0.31 -1.03 -4.91 118.33 115.19 2k93 n VAL 22 Ca 0.05 -2.96 0.00 0.00 -0.01 0.00 0.00 64.34 61.42 2k93 n VAL 22 Cb 0.41 0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.59 0.00 -2.67 2.52 -2.24 -1.16 -4.14 114.28 106.01 2k93 n THR 23 Ca 0.21 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.00 2k93 n THR 23 Cb 0.88 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.15 2k93 n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k93 n ASN 24 N -0.86 1.03 -1.19 3.42 4.13 -1.26 -4.71 115.26 115.82 2k93 n ASN 24 Ca 0.00 -2.03 -0.01 0.00 1.68 0.00 0.00 54.58 54.23 2k93 n ASN 24 Cb 0.00 -0.30 0.01 0.00 -1.54 0.00 0.00 39.78 37.95 2k93 n ASN 24 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2k93 n ASN 25 N -0.26 -0.24 -4.77 6.41 2.85 -1.26 -4.28 115.26 113.72 2k93 n ASN 25 Ca 0.03 -0.83 -0.38 0.00 -0.11 0.00 0.00 54.58 53.29 2k93 n ASN 25 Cb 0.92 0.10 -0.05 0.00 1.24 0.00 0.00 39.78 41.99 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k93 s ALA 26 N 0.01 3.26 1.00 5.20 0.00 -1.26 -4.83 121.76 125.15 2k93 s ALA 26 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2k93 s ALA 26 Cb 0.05 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2k93 s ALA 26 CO -0.01 -0.07 0.00 0.43 0.00 0.00 0.00 175.76 176.11 2k93 n SER 27 N 0.71 -0.46 0.11 0.00 7.64 -1.26 -2.16 113.62 118.20 2k93 n SER 27 Ca 0.01 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2k93 n SER 27 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2k93 n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k93 n PHE 28 N -2.19 -1.77 0.30 1.43 3.01 -1.26 -4.03 117.46 112.94 2k93 n PHE 28 Ca 0.00 0.31 0.19 0.00 1.01 0.00 0.00 57.45 58.96 2k93 n PHE 28 Cb 0.00 0.41 0.94 0.00 -0.01 0.00 0.00 39.48 40.82 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 -1.87 1.69 116.25 113.78 2k93 h VAL 29 Ca 0.00 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.24 2k93 h VAL 29 Cb 0.01 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2k93 h VAL 29 CO 0.00 0.00 -1.43 -0.62 0.02 0.00 0.00 177.57 175.54 2k93 n GLU 30 N -2.84 0.28 0.17 1.57 1.02 -1.26 -3.77 120.64 115.80 2k93 n GLU 30 Ca -0.02 0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 2k93 n GLU 30 Cb 0.12 -0.98 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 2k93 n GLU 30 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k93 h ASP 31 N -0.49 -0.37 -0.31 1.62 -0.00 -1.72 -3.07 116.42 112.08 2k93 h ASP 31 Ca -0.26 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.79 2k93 h ASP 31 Cb 1.09 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 2k93 h ASP 31 CO -0.15 -0.23 0.00 0.18 -0.00 0.00 0.00 179.24 179.03 2k93 n LEU 32 N -3.38 3.20 -1.89 2.28 4.77 0.36 -4.86 117.00 117.48 2k93 n LEU 32 Ca -0.05 -1.62 -0.01 0.00 -0.03 0.00 0.00 56.01 54.30 2k93 n LEU 32 Cb 0.17 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2k93 n LEU 32 CO 0.13 0.45 -0.01 0.61 -1.33 0.00 0.00 177.39 177.25 2k93 n GLY 33 N 0.45 -0.27 2.66 -0.72 0.00 0.36 -3.03 105.19 104.64 2k93 n GLY 33 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.84 -2.55 -2.69 4.61 0.00 0.49 -4.78 120.51 113.75 2k93 n ALA 34 Ca -0.01 1.37 -0.32 0.00 0.00 0.00 0.00 53.44 54.48 2k93 n ALA 34 Cb 0.31 -2.91 -0.15 0.00 0.00 0.00 0.00 19.45 16.70 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 -0.43 3.46 0.24 0.00 1.01 -1.17 -4.97 116.67 114.82 2k93 s ASP 35 Ca -0.15 -0.40 -0.06 0.00 0.71 0.00 0.00 52.55 52.65 2k93 s ASP 35 Cb 0.01 -0.92 0.44 0.00 1.01 0.00 0.00 42.92 43.46 2k93 s ASP 35 CO 0.42 0.26 1.67 0.28 0.21 0.00 0.00 175.17 178.02 2k93 h SER 36 N 5.93 -0.08 -0.46 0.27 0.02 -1.94 0.98 113.55 118.27 2k93 h SER 36 Ca -0.36 0.16 0.06 0.00 -0.84 0.00 0.00 61.79 60.81 2k93 h SER 36 Cb 1.17 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.92 2k93 h SER 36 CO 0.49 -0.07 0.31 -0.07 -1.14 0.00 0.00 176.83 176.35 2k93 h LEU 37 N 0.22 0.32 0.21 5.07 3.38 -1.95 1.05 115.31 123.62 2k93 h LEU 37 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2k93 h LEU 37 Cb 0.69 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k93 h LEU 37 CO -0.54 0.21 -0.10 0.44 0.09 0.00 0.00 178.44 178.54 2k93 h ASP 38 N 0.37 -0.24 0.14 -0.43 5.19 0.63 1.39 116.42 123.47 2k93 h ASP 38 Ca 0.20 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 2k93 h ASP 38 Cb 0.33 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 2k93 h ASP 38 CO -0.05 0.23 -0.14 0.74 -3.12 0.00 0.00 179.24 176.90 2k93 h THR 39 N -0.80 1.09 0.18 0.35 2.02 -0.14 -0.83 112.91 114.79 2k93 h THR 39 Ca -0.03 -0.48 -0.27 0.00 0.77 0.00 0.00 66.41 66.40 2k93 h THR 39 Cb 0.51 1.26 0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2k93 h THR 39 CO 0.05 0.14 -1.22 0.58 0.37 0.00 0.00 175.52 175.44 2k93 h VAL 40 N 0.00 1.31 0.00 3.16 2.07 0.12 -3.23 116.25 119.68 2k93 h VAL 40 Ca -0.00 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 64.95 2k93 h VAL 40 Cb 0.25 3.04 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2k93 h VAL 40 CO 0.02 0.76 -0.01 -0.33 0.02 0.00 0.00 177.57 178.03 2k93 h GLU 41 N -0.15 0.00 -0.01 1.57 4.39 0.24 0.83 114.58 121.45 2k93 h GLU 41 Ca -0.23 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.30 2k93 h GLU 41 Cb 1.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.52 2k93 h GLU 41 CO 0.18 0.01 -0.80 1.25 -1.16 0.00 0.00 179.01 178.50 2k93 h LEU 42 N 0.00 0.21 -0.27 1.33 5.85 -1.18 1.51 115.31 122.76 2k93 h LEU 42 Ca -0.00 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 2k93 h LEU 42 Cb 0.07 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2k93 h LEU 42 CO 0.00 0.92 -0.57 0.58 -0.34 0.00 0.00 178.44 179.03 2k93 h VAL 43 N 0.10 1.06 0.08 1.05 2.07 -0.91 -2.45 116.25 117.26 2k93 h VAL 43 Ca -0.03 -2.28 -0.35 0.00 0.82 0.00 0.00 66.70 64.86 2k93 h VAL 43 Cb 1.39 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 2k93 h VAL 43 CO 0.12 0.56 -1.96 0.23 0.02 0.00 0.00 177.57 176.54 2k93 n MET 44 N -3.35 0.70 0.05 1.57 2.81 -0.66 -3.09 117.12 115.15 2k93 n MET 44 Ca 0.01 0.30 -0.12 0.00 -1.81 0.00 0.00 57.70 56.09 2k93 n MET 44 Cb 0.71 -1.68 -0.06 0.00 -0.71 0.00 0.00 33.22 31.49 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 -0.10 -0.06 0.00 3.04 0.00 0.21 0.95 119.26 123.30 2k93 h ALA 45 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2k93 h ALA 45 Cb 1.86 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2k93 h ALA 45 CO -0.02 -0.55 -0.22 -0.07 0.00 0.00 0.00 179.25 178.39 2k93 h LEU 46 N -0.10 0.00 0.15 0.00 3.38 -1.61 -1.44 115.31 115.69 2k93 h LEU 46 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2k93 h LEU 46 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k93 h LEU 46 CO -0.04 0.22 -0.07 -0.33 0.09 0.00 0.00 178.44 178.31 2k93 h GLU 47 N 0.00 -0.19 0.00 1.13 4.39 -1.14 -1.50 114.58 117.27 2k93 h GLU 47 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k93 h GLU 47 Cb 0.45 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2k93 h GLU 47 CO 0.03 0.25 0.00 -1.91 -1.16 0.00 0.00 179.01 176.22 2k93 n GLU 48 N -4.92 0.08 0.00 2.33 0.00 0.32 0.21 120.64 118.67 2k93 n GLU 48 Ca -0.08 0.50 0.00 0.00 0.00 0.00 0.00 57.16 57.59 2k93 n GLU 48 Cb 0.27 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 29.98 2k93 n GLU 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k93 n GLU 49 N -1.90 0.00 -0.11 5.31 4.07 -0.56 -4.74 120.64 122.72 2k93 n GLU 49 Ca 0.00 0.17 0.10 0.00 -0.06 0.00 0.00 57.16 57.37 2k93 n GLU 49 Cb 0.07 -0.59 0.14 0.00 -0.06 0.00 0.00 31.44 31.01 2k93 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2k93 n PHE 50 N -1.57 0.00 -3.88 4.31 3.01 -0.58 -5.01 117.46 113.73 2k93 n PHE 50 Ca 0.00 -1.01 -0.31 0.00 1.01 0.00 0.00 57.45 57.13 2k93 n PHE 50 Cb 0.00 -0.15 0.01 0.00 -0.01 0.00 0.00 39.48 39.32 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 -1.40 -4.53 -0.08 4.37 -0.08 0.58 -4.88 116.55 110.53 2k93 n ASP 51 Ca 0.16 -1.08 -0.11 0.00 -1.51 0.00 0.00 54.79 52.25 2k93 n ASP 51 Cb 0.64 -1.57 -0.07 0.00 2.34 0.00 0.00 41.12 42.46 2k93 n ASP 51 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2k93 n THR 52 N -3.34 0.88 -1.80 5.18 -2.24 -1.22 -4.95 114.28 106.78 2k93 n THR 52 Ca -0.26 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.18 2k93 n THR 52 Cb 0.65 -1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 2k93 n THR 52 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k93 n GLU 53 N -3.00 -1.11 -3.08 -0.78 1.02 -1.26 -5.00 120.64 107.43 2k93 n GLU 53 Ca -0.27 1.22 -0.39 0.00 -0.02 0.00 0.00 57.16 57.69 2k93 n GLU 53 Cb 0.78 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 2k93 n GLU 53 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2k93 s ILE 54 N -0.28 4.97 0.00 -3.67 -1.16 -1.26 -5.05 121.20 114.75 2k93 s ILE 54 Ca -0.05 1.41 0.00 0.00 -0.51 0.00 0.00 60.65 61.51 2k93 s ILE 54 Cb 0.00 -4.02 0.00 0.00 0.61 0.00 0.00 42.46 39.05 2k93 s ILE 54 CO 0.21 0.31 0.00 -0.81 -2.81 0.00 0.00 174.94 171.84 2k93 n PRO 55 N 3.38 -0.23 0.03 3.50 -0.04 -1.26 -4.39 135.00 135.99 2k93 n PRO 55 Ca -0.03 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2k93 n PRO 55 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 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 -2.47 0.57 -0.04 3.54 -0.08 -1.26 -3.36 116.55 113.45 2k93 n ASP 56 Ca 0.00 -0.18 -0.01 0.00 -1.51 0.00 0.00 54.79 53.09 2k93 n ASP 56 Cb 0.00 0.95 -0.00 0.00 2.34 0.00 0.00 41.12 44.41 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2k93 h GLU 57 N 0.00 0.00 0.00 -0.67 5.08 -2.01 -3.27 114.58 113.71 2k93 h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k93 h GLU 57 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2k93 h GLU 57 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 2k93 h GLU 58 N -0.80 0.00 -0.37 2.33 5.08 -1.97 -1.69 114.58 117.16 2k93 h GLU 58 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2k93 h GLU 58 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2k93 h GLU 58 CO 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 177.89 2k93 h ALA 59 N 2.05 0.51 0.00 3.43 0.00 -1.67 -2.41 119.26 121.18 2k93 h ALA 59 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k93 h ALA 59 Cb 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k93 h ALA 59 CO 0.00 0.39 -0.05 1.49 0.00 0.00 0.00 179.25 181.09 2k93 h GLU 60 N 0.53 0.00 -0.13 0.00 4.81 -1.35 0.39 114.58 118.84 2k93 h GLU 60 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2k93 h GLU 60 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2k93 h GLU 60 CO 0.04 0.05 0.00 1.17 -0.73 0.00 0.00 179.01 179.54 2k93 n LYS 61 N -3.85 1.53 -1.21 1.92 4.81 -0.92 -3.37 118.16 117.06 2k93 n LYS 61 Ca -0.03 -0.79 0.04 0.00 -0.87 0.00 0.00 58.31 56.66 2k93 n LYS 61 Cb 0.14 -1.36 0.05 0.00 0.02 0.00 0.00 35.03 33.88 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 0.02 0.36 0.19 3.15 5.41 0.13 -4.90 119.36 123.72 2k93 n ILE 62 Ca 0.15 -1.23 -0.16 0.00 1.00 0.00 0.00 62.75 62.51 2k93 n ILE 62 Cb 0.25 0.73 -0.09 0.00 -0.71 0.00 0.00 39.64 39.83 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 5.98 0.09 -1.82 1.39 1.35 -1.35 -3.42 112.91 115.12 2k93 h THR 63 Ca -0.16 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.52 2k93 h THR 63 Cb 1.69 0.09 0.10 0.00 -1.73 0.00 0.00 68.15 68.31 2k93 h THR 63 CO 0.07 0.00 -0.18 0.35 -0.25 0.00 0.00 175.52 175.51 2k93 n THR 64 N -5.50 0.00 -0.08 6.82 -2.24 -1.26 -4.44 114.28 107.58 2k93 n THR 64 Ca -0.09 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 2k93 n THR 64 Cb 0.41 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 2k93 n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k93 n VAL 65 N -4.22 1.44 0.21 2.28 0.31 -0.92 -4.12 118.33 113.32 2k93 n VAL 65 Ca 0.05 0.18 0.14 0.00 -0.01 0.00 0.00 64.34 64.71 2k93 n VAL 65 Cb 0.28 -2.35 0.56 0.00 -0.91 0.00 0.00 33.84 31.42 2k93 n VAL 65 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2k93 h GLN 66 N -1.00 0.00 -0.05 5.55 5.75 -1.86 1.74 115.11 125.24 2k93 h GLN 66 Ca -0.04 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 2k93 h GLN 66 Cb 0.66 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2k93 h GLN 66 CO -0.02 0.00 -0.33 0.00 -2.65 0.00 0.00 178.83 175.83 2k93 h ALA 67 N 0.94 1.36 -0.08 3.38 0.00 -1.88 -0.21 119.26 122.78 2k93 h ALA 67 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k93 h ALA 67 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k93 h ALA 67 CO -0.00 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2k93 n ALA 68 N -2.48 2.54 -0.05 0.00 0.00 0.59 -2.22 120.51 118.89 2k93 n ALA 68 Ca -0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 2k93 n ALA 68 Cb 0.39 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.33 0.66 0.04 0.00 -0.00 -0.19 -3.87 119.36 115.67 2k93 n ILE 69 Ca 0.10 -0.32 -0.20 0.00 -0.00 0.00 0.00 62.75 62.33 2k93 n ILE 69 Cb 0.12 -0.85 -0.10 0.00 -0.00 0.00 0.00 39.64 38.81 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 0.91 0.33 4.38 3.58 -1.25 0.73 116.42 125.11 2k93 h ASP 70 Ca -0.26 -0.74 -0.18 0.00 0.42 0.00 0.00 57.03 56.27 2k93 h ASP 70 Cb 1.48 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2k93 h ASP 70 CO -0.02 1.53 -0.74 0.22 -2.88 0.00 0.00 179.24 177.36 2k93 h TYR 71 N 0.39 0.46 0.02 0.28 3.20 -1.70 -3.13 116.97 116.49 2k93 h TYR 71 Ca -0.13 -0.21 -0.22 0.00 3.14 0.00 0.00 58.73 61.31 2k93 h TYR 71 Cb 1.69 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 2k93 h TYR 71 CO 0.10 0.96 -0.96 0.82 -1.64 0.00 0.00 178.16 177.44 2k93 h ILE 72 N 0.23 1.48 -0.70 1.81 1.08 -1.67 -3.06 117.51 116.67 2k93 h ILE 72 Ca -0.03 -2.67 0.20 0.00 -0.39 0.00 0.00 64.86 61.97 2k93 h ILE 72 Cb 1.31 2.54 -0.03 0.00 -3.07 0.00 0.00 36.82 37.57 2k93 h ILE 72 CO 0.12 0.78 0.65 -1.13 -0.69 0.00 0.00 178.15 177.89 2k93 h ASN 73 N 0.14 0.00 -1.61 1.72 -0.73 -0.79 -0.42 115.58 113.89 2k93 h ASN 73 Ca -0.07 0.00 0.47 0.00 1.87 0.00 0.00 56.30 58.57 2k93 h ASN 73 Cb 1.61 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 40.14 2k93 h ASN 73 CO 0.15 0.00 1.31 0.61 -0.37 0.00 0.00 177.43 179.13 2k93 n GLY 74 N -1.60 -0.88 0.00 1.57 0.00 -1.16 -1.29 105.19 101.83 2k93 n GLY 74 Ca 0.14 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2k93 n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k93 n HIS 75 N -3.62 0.00 0.00 1.61 -0.00 -0.17 -4.93 115.22 108.12 2k93 n HIS 75 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 2k93 n HIS 75 Cb 1.79 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 31.68 2k93 n HIS 75 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2k93 n GLN 76 N -0.81 0.00 0.00 1.57 -0.06 -0.41 -5.21 117.38 112.46 2k93 n GLN 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2k93 n GLN 76 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2k93 n GLN 76 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86