#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 3.48 0.11 2.46 -4.23 -1.26 -4.96 115.64 111.24 2k93 s THR 2 Ca 0.00 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 2k93 s THR 2 Cb 0.00 -3.14 -0.21 0.00 1.34 0.00 0.00 72.50 70.49 2k93 s THR 2 CO 0.00 -0.51 1.25 0.40 -0.54 0.00 0.00 174.62 175.22 2k93 h ILE 3 N -0.34 1.44 -1.67 2.99 5.03 -1.95 -3.22 117.51 119.79 2k93 h ILE 3 Ca -0.45 -2.66 0.50 0.00 -0.12 0.00 0.00 64.86 62.13 2k93 h ILE 3 Cb 1.23 2.60 -0.08 0.00 -3.03 0.00 0.00 36.82 37.54 2k93 h ILE 3 CO 0.54 0.79 1.18 1.21 -0.68 0.00 0.00 178.15 181.19 2k93 n GLU 4 N -3.67 -0.01 0.03 2.37 2.13 -1.26 0.91 120.64 121.13 2k93 n GLU 4 Ca -0.07 1.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.63 2k93 n GLU 4 Cb 0.90 -2.23 -0.05 0.00 0.27 0.00 0.00 31.44 30.32 2k93 n GLU 4 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k93 h GLU 5 N 0.00 -0.46 0.00 5.31 4.81 -1.96 0.28 114.58 122.57 2k93 h GLU 5 Ca 0.83 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 60.06 2k93 h GLU 5 Cb 3.22 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 32.70 2k93 h GLU 5 CO -0.09 -0.31 -0.18 0.07 -0.73 0.00 0.00 179.01 177.78 2k93 h ARG 6 N -0.48 0.00 0.54 1.92 0.11 0.27 -2.98 114.38 113.77 2k93 h ARG 6 Ca 0.07 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.13 2k93 h ARG 6 Cb 0.60 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.68 2k93 h ARG 6 CO -0.34 0.18 -0.26 0.28 0.10 0.00 0.00 179.97 179.92 2k93 h VAL 7 N 0.00 0.00 -0.71 0.08 2.07 -0.27 0.58 116.25 117.99 2k93 h VAL 7 Ca -0.00 -0.15 0.16 0.00 0.82 0.00 0.00 66.70 67.53 2k93 h VAL 7 Cb 0.75 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 2k93 h VAL 7 CO 0.02 0.00 0.05 0.11 0.02 0.00 0.00 177.57 177.77 2k93 h LYS 8 N -0.88 0.14 0.23 1.57 6.56 -0.57 0.35 116.57 123.97 2k93 h LYS 8 Ca -0.07 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2k93 h LYS 8 Cb 0.56 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 2k93 h LYS 8 CO 0.12 0.09 -0.30 -0.22 -2.06 0.00 0.00 179.45 177.09 2k93 h LYS 9 N 0.14 -0.52 -0.61 3.15 1.63 -1.46 0.44 116.57 119.34 2k93 h LYS 9 Ca 0.39 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.33 2k93 h LYS 9 Cb 0.67 0.12 -0.12 0.00 -0.60 0.00 0.00 32.23 32.30 2k93 h LYS 9 CO -0.59 -0.35 -0.30 0.82 -3.45 0.00 0.00 179.45 175.58 2k93 h ILE 10 N -0.54 0.20 -1.00 2.00 1.08 0.19 0.84 117.51 120.27 2k93 h ILE 10 Ca -0.03 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.62 2k93 h ILE 10 Cb 0.49 0.20 -0.10 0.00 -3.07 0.00 0.00 36.82 34.34 2k93 h ILE 10 CO -0.07 0.00 0.62 0.40 -0.69 0.00 0.00 178.15 178.40 2k93 h ILE 11 N -0.13 0.75 -0.13 -0.67 2.04 0.08 0.72 117.51 120.17 2k93 h ILE 11 Ca 0.25 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2k93 h ILE 11 Cb 0.54 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2k93 h ILE 11 CO -0.68 0.15 0.13 1.23 0.00 0.00 0.00 178.15 178.97 2k93 h GLY 12 N 0.80 0.00 0.68 5.37 0.00 0.54 -1.69 103.07 108.77 2k93 h GLY 12 Ca 0.56 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.55 2k93 h GLY 12 CO -0.35 0.00 -1.73 -1.61 0.00 0.00 0.00 176.54 172.86 2k93 h GLN 13 N 0.00 0.30 -0.81 4.80 4.15 0.10 0.25 115.11 123.90 2k93 h GLN 13 Ca 0.06 -0.51 0.20 0.00 0.77 0.00 0.00 58.65 59.18 2k93 h GLN 13 Cb 0.31 0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.15 2k93 h GLN 13 CO -0.00 1.24 0.55 1.96 -1.93 0.00 0.00 178.83 180.66 2k93 h GLN 14 N -0.06 0.22 0.00 1.69 4.20 -0.10 -3.32 115.11 117.74 2k93 h GLN 14 Ca -0.36 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2k93 h GLN 14 Cb 1.95 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.68 2k93 h GLN 14 CO 0.10 0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.69 2k93 n LEU 15 N -4.42 0.00 0.00 1.46 4.77 -0.80 -4.53 117.00 113.47 2k93 n LEU 15 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2k93 n LEU 15 Cb 0.72 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2k93 n LEU 15 CO 0.34 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 2k93 n GLY 16 N 2.53 0.81 3.37 -0.72 0.00 0.85 -5.08 105.19 106.94 2k93 n GLY 16 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2k93 n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k93 n VAL 17 N 0.00 0.00 0.00 1.61 0.31 -1.12 -5.04 118.33 114.09 2k93 n VAL 17 Ca 0.00 -2.30 0.00 0.00 -0.01 0.00 0.00 64.34 62.03 2k93 n VAL 17 Cb 0.00 0.65 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 2k93 n VAL 17 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2k93 n LYS 18 N -1.05 3.56 -0.08 5.55 4.81 -1.26 -4.70 118.16 124.99 2k93 n LYS 18 Ca -0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.16 2k93 n LYS 18 Cb 0.60 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.59 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 0.38 0.28 1.64 7.27 -1.26 -4.25 117.38 121.43 2k93 n GLN 19 Ca 0.00 0.13 0.15 0.00 0.07 0.00 0.00 57.00 57.35 2k93 n GLN 19 Cb 0.00 -1.20 0.78 0.00 2.41 0.00 0.00 30.24 32.23 2k93 n GLN 19 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2k93 h GLU 20 N -0.33 0.00 0.00 3.69 4.57 -1.97 -0.02 114.58 120.52 2k93 h GLU 20 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2k93 h GLU 20 Cb 1.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 2k93 h GLU 20 CO -0.17 0.08 -0.23 0.39 -1.18 0.00 0.00 179.01 177.91 2k93 n GLU 21 N -3.40 0.25 -2.16 1.92 1.02 -1.26 -3.62 120.64 113.37 2k93 n GLU 21 Ca -0.01 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.19 2k93 n GLU 21 Cb 0.24 -1.74 0.05 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.14 1.72 -0.98 2.62 0.31 -0.19 -4.95 118.33 114.72 2k93 n VAL 22 Ca 0.05 -3.26 -0.35 0.00 -0.01 0.00 0.00 64.34 60.77 2k93 n VAL 22 Cb 0.42 0.17 0.04 0.00 -0.91 0.00 0.00 33.84 33.56 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 -0.58 0.00 -2.06 2.52 -2.24 -0.22 -4.60 114.28 107.09 2k93 n THR 23 Ca 0.22 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.21 2k93 n THR 23 Cb 0.89 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 2k93 n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k93 n ASN 24 N 3.43 3.21 0.00 3.42 6.94 -1.26 -1.55 115.26 129.45 2k93 n ASN 24 Ca -0.02 -2.72 0.00 0.00 -0.02 0.00 0.00 54.58 51.82 2k93 n ASN 24 Cb 0.55 -1.71 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 2k93 n ASN 24 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k93 n ASN 25 N 13.55 0.00 -3.67 0.53 4.13 -1.26 -4.49 115.26 124.05 2k93 n ASN 25 Ca 0.45 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.38 2k93 n ASN 25 Cb 0.46 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.73 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k93 n ALA 26 N 0.00 -4.28 -2.87 5.41 0.00 -0.60 -4.45 120.51 113.73 2k93 n ALA 26 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2k93 n ALA 26 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2k93 n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k93 n SER 27 N 2.77 0.03 0.06 0.00 7.64 -1.26 -2.39 113.62 120.48 2k93 n SER 27 Ca 0.02 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2k93 n SER 27 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.84 -0.72 0.25 1.43 3.01 -1.05 -4.13 117.46 115.41 2k93 n PHE 28 Ca 0.00 0.13 0.13 0.00 1.01 0.00 0.00 57.45 58.72 2k93 n PHE 28 Cb 0.00 0.23 0.55 0.00 -0.01 0.00 0.00 39.48 40.25 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 0.33 0.00 -4.37 2.07 -1.83 2.00 116.25 114.44 2k93 h VAL 29 Ca 0.00 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2k93 h VAL 29 Cb 0.19 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2k93 h VAL 29 CO 0.00 0.13 -0.72 -0.62 0.02 0.00 0.00 177.57 176.38 2k93 n GLU 30 N -3.28 2.51 -0.02 1.57 1.02 -1.26 -3.60 120.64 117.57 2k93 n GLU 30 Ca 0.00 -0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.10 2k93 n GLU 30 Cb 0.37 -1.13 -0.01 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.38 0.73 -1.71 1.62 4.64 -1.03 -4.68 116.55 114.74 2k93 n ASP 31 Ca 0.02 0.12 -0.07 0.00 -1.38 0.00 0.00 54.79 53.47 2k93 n ASP 31 Cb 0.22 -0.48 0.25 0.00 -1.04 0.00 0.00 41.12 40.06 2k93 n ASP 31 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2k93 n LEU 32 N -3.22 5.49 -1.49 -2.67 7.99 0.29 -4.89 117.00 118.49 2k93 n LEU 32 Ca -0.04 -3.40 -0.07 0.00 -0.01 0.00 0.00 56.01 52.48 2k93 n LEU 32 Cb 0.16 -0.71 -0.02 0.00 -0.11 0.00 0.00 43.42 42.73 2k93 n LEU 32 CO 0.07 0.94 -0.07 0.61 -1.51 0.00 0.00 177.39 177.42 2k93 n GLY 33 N -0.63 0.41 3.00 -0.72 0.00 0.55 -3.19 105.19 104.60 2k93 n GLY 33 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.68 -2.08 -2.73 4.61 0.00 0.52 -4.68 120.51 115.48 2k93 n ALA 34 Ca -0.07 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 2k93 n ALA 34 Cb 0.31 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.66 5.26 0.25 0.00 1.01 -1.19 -4.91 116.67 116.43 2k93 s ASP 35 Ca -0.04 -0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.10 2k93 s ASP 35 Cb 0.00 -1.34 0.51 0.00 1.01 0.00 0.00 42.92 43.10 2k93 s ASP 35 CO 0.22 0.19 1.66 0.28 0.21 0.00 0.00 175.17 177.74 2k93 h SER 36 N 3.50 -0.07 -0.38 0.27 0.02 -1.95 1.29 113.55 116.23 2k93 h SER 36 Ca -0.47 0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 2k93 h SER 36 Cb 1.17 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.93 2k93 h SER 36 CO 0.62 -0.10 0.26 -0.07 -1.14 0.00 0.00 176.83 176.40 2k93 h LEU 37 N 0.22 0.33 0.07 5.07 3.38 -1.94 1.59 115.31 124.03 2k93 h LEU 37 Ca 0.45 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 2k93 h LEU 37 Cb 0.80 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2k93 h LEU 37 CO -0.58 0.23 -0.03 0.44 0.09 0.00 0.00 178.44 178.58 2k93 h ASP 38 N 0.38 -0.08 0.75 -0.43 3.32 0.12 1.01 116.42 121.49 2k93 h ASP 38 Ca 0.16 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2k93 h ASP 38 Cb 0.16 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2k93 h ASP 38 CO -0.04 0.54 0.00 0.74 -1.72 0.00 0.00 179.24 178.76 2k93 h THR 39 N -0.76 0.00 0.07 0.35 2.02 0.30 -2.07 112.91 112.83 2k93 h THR 39 Ca -0.01 -0.27 -0.37 0.00 0.77 0.00 0.00 66.41 66.53 2k93 h THR 39 Cb 0.60 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 2k93 h THR 39 CO 0.02 0.00 -2.17 0.52 0.37 0.00 0.00 175.52 174.26 2k93 n VAL 40 N -2.37 1.67 0.30 3.16 0.31 0.54 -3.88 118.33 118.05 2k93 n VAL 40 Ca 0.02 -0.60 0.18 0.00 -0.01 0.00 0.00 64.34 63.93 2k93 n VAL 40 Cb 0.24 -1.63 0.85 0.00 -0.91 0.00 0.00 33.84 32.39 2k93 n VAL 40 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k93 h GLU 41 N -0.01 0.00 0.00 5.55 4.39 0.13 -0.26 114.58 124.39 2k93 h GLU 41 Ca -0.48 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.07 2k93 h GLU 41 Cb 1.96 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.59 2k93 h GLU 41 CO 0.01 0.00 -0.75 1.25 -1.16 0.00 0.00 179.01 178.35 2k93 h LEU 42 N 0.00 0.00 0.00 1.33 5.85 -1.52 0.50 115.31 121.47 2k93 h LEU 42 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2k93 h LEU 42 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2k93 h LEU 42 CO 0.00 0.68 -0.95 0.58 -0.34 0.00 0.00 178.44 178.41 2k93 h VAL 43 N 0.00 0.79 0.07 1.05 2.07 -1.21 -2.98 116.25 116.04 2k93 h VAL 43 Ca -0.02 -2.24 -0.35 0.00 0.82 0.00 0.00 66.70 64.90 2k93 h VAL 43 Cb 1.54 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 33.57 2k93 h VAL 43 CO 0.09 0.45 -2.02 0.23 0.02 0.00 0.00 177.57 176.33 2k93 n MET 44 N -3.09 0.71 0.02 1.57 2.81 -0.50 -3.09 117.12 115.55 2k93 n MET 44 Ca -0.03 0.24 -0.12 0.00 -1.81 0.00 0.00 57.70 55.97 2k93 n MET 44 Cb 0.80 -1.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.54 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 0.35 -0.00 0.00 3.04 0.00 -0.12 1.04 119.26 123.58 2k93 h ALA 45 Ca -0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2k93 h ALA 45 Cb 2.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 2k93 h ALA 45 CO 0.06 -0.43 -0.09 -0.07 0.00 0.00 0.00 179.25 178.72 2k93 h LEU 46 N -0.14 0.00 0.19 0.00 3.38 -1.71 0.22 115.31 117.24 2k93 h LEU 46 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2k93 h LEU 46 Cb 0.14 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.92 2k93 h LEU 46 CO 0.00 0.09 -1.17 -0.33 0.09 0.00 0.00 178.44 177.12 2k93 h GLU 47 N 0.00 0.40 0.00 1.13 4.39 -1.27 -1.77 114.58 117.46 2k93 h GLU 47 Ca -0.00 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.02 2k93 h GLU 47 Cb 0.49 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2k93 h GLU 47 CO 0.01 1.33 0.00 -1.91 -1.16 0.00 0.00 179.01 177.28 2k93 n GLU 48 N -3.93 0.16 0.00 2.33 0.00 0.35 -1.17 120.64 118.38 2k93 n GLU 48 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2k93 n GLU 48 Cb 0.95 -1.68 0.00 0.00 0.00 0.00 0.00 31.44 30.71 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 -1.96 0.00 0.00 5.31 0.00 0.74 -4.75 120.64 119.99 2k93 n GLU 49 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 57.16 57.55 2k93 n GLU 49 Cb 0.39 -0.82 0.00 0.00 0.00 0.00 0.00 31.44 31.01 2k93 n GLU 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2k93 n PHE 50 N -1.54 0.00 -2.53 4.31 7.35 -1.10 -5.06 117.46 118.89 2k93 n PHE 50 Ca 0.00 -0.28 -0.02 0.00 -0.76 0.00 0.00 57.45 56.39 2k93 n PHE 50 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 39.80 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2k93 n ASP 51 N -0.28 -6.92 -2.82 -2.13 2.03 -0.32 -4.99 116.55 101.11 2k93 n ASP 51 Ca 0.00 0.96 -0.11 0.00 0.52 0.00 0.00 54.79 56.16 2k93 n ASP 51 Cb 0.29 -4.57 0.06 0.00 -0.72 0.00 0.00 41.12 36.18 2k93 n ASP 51 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2k93 n THR 52 N 0.30 0.12 -0.56 5.18 5.66 -0.92 -4.93 114.28 119.13 2k93 n THR 52 Ca 0.03 -2.49 -0.24 0.00 -3.05 0.00 0.00 64.05 58.30 2k93 n THR 52 Cb 0.11 0.82 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 2k93 n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k93 n GLU 53 N 0.04 0.00 -3.73 1.09 0.28 -1.26 -4.71 120.64 112.35 2k93 n GLU 53 Ca 0.09 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.73 2k93 n GLU 53 Cb 0.75 -0.57 -0.07 0.00 1.43 0.00 0.00 31.44 32.98 2k93 n GLU 53 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2k93 s ILE 54 N 1.75 5.40 1.04 3.84 2.07 -1.26 -5.07 121.20 128.97 2k93 s ILE 54 Ca 0.43 0.31 -0.16 0.00 -1.41 0.00 0.00 60.65 59.81 2k93 s ILE 54 Cb -0.57 -3.49 0.22 0.00 0.13 0.00 0.00 42.46 38.75 2k93 s ILE 54 CO 0.28 0.50 1.20 -2.16 -1.91 0.00 0.00 174.94 172.85 2k93 s PRO 55 N -0.20 0.02 0.31 3.50 0.04 -1.26 -4.64 135.00 132.77 2k93 s PRO 55 Ca 0.13 -0.13 0.24 0.00 0.04 0.00 0.00 61.00 61.28 2k93 s PRO 55 Cb -0.12 -1.75 0.38 0.00 0.04 0.00 0.00 34.50 33.05 2k93 s PRO 55 CO 0.02 -2.87 1.51 0.22 0.04 0.00 0.00 177.00 175.92 2k93 h ASP 56 N -1.98 0.00 0.04 6.66 3.58 -1.98 -2.98 116.42 119.76 2k93 h ASP 56 Ca -0.46 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 56.80 2k93 h ASP 56 Cb 1.28 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.34 2k93 h ASP 56 CO 0.42 0.01 -0.68 -0.33 -2.88 0.00 0.00 179.24 175.78 2k93 h GLU 57 N 0.00 0.38 0.00 0.28 5.08 -2.02 -3.18 114.58 115.13 2k93 h GLU 57 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2k93 h GLU 57 Cb 0.92 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k93 h GLU 57 CO 0.00 1.15 0.00 0.93 -1.00 0.00 0.00 179.01 180.09 2k93 h GLU 58 N -0.17 0.00 -0.06 2.33 4.39 -1.95 -2.67 114.58 116.45 2k93 h GLU 58 Ca -0.10 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 2k93 h GLU 58 Cb 1.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 2k93 h GLU 58 CO 0.13 0.00 -0.47 0.00 -1.16 0.00 0.00 179.01 177.51 2k93 h ALA 59 N 2.22 1.10 0.63 3.43 0.00 -1.50 -2.16 119.26 122.98 2k93 h ALA 59 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2k93 h ALA 59 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k93 h ALA 59 CO 0.00 0.62 -0.47 0.93 0.00 0.00 0.00 179.25 180.33 2k93 h GLU 60 N 0.13 -1.02 0.00 0.00 5.08 -1.51 1.75 114.58 119.01 2k93 h GLU 60 Ca 0.01 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2k93 h GLU 60 Cb 0.88 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2k93 h GLU 60 CO 0.07 -0.68 0.00 0.36 -1.00 0.00 0.00 179.01 177.76 2k93 n LYS 61 N -5.37 0.20 -0.71 2.33 2.85 -1.21 -1.46 118.16 114.78 2k93 n LYS 61 Ca -0.13 0.15 0.06 0.00 -1.05 0.00 0.00 58.31 57.34 2k93 n LYS 61 Cb 0.46 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.51 2k93 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2k93 n ILE 62 N -1.29 1.76 0.20 0.58 5.41 -0.16 -4.77 119.36 121.10 2k93 n ILE 62 Ca 0.07 -2.73 -0.07 0.00 1.00 0.00 0.00 62.75 61.02 2k93 n ILE 62 Cb 0.12 -0.01 0.04 0.00 -0.71 0.00 0.00 39.64 39.08 2k93 n ILE 62 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k93 n THR 63 N -0.85 1.74 -3.99 1.39 5.66 0.58 -4.78 114.28 114.04 2k93 n THR 63 Ca 0.16 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 2k93 n THR 63 Cb 0.77 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 2k93 n THR 63 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k93 n THR 64 N 0.19 0.00 -0.10 1.09 -2.24 -1.26 -2.52 114.28 109.44 2k93 n THR 64 Ca 0.16 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.80 2k93 n THR 64 Cb 0.77 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.00 1.49 0.21 2.28 0.31 -1.00 -4.25 118.33 117.37 2k93 n VAL 65 Ca 0.00 0.01 0.14 0.00 -0.01 0.00 0.00 64.34 64.48 2k93 n VAL 65 Cb 0.00 -2.21 0.73 0.00 -0.91 0.00 0.00 33.84 31.45 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 -0.01 5.55 5.75 -1.84 0.25 115.11 123.81 2k93 h GLN 66 Ca -0.21 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.17 2k93 h GLN 66 Cb 1.08 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 2k93 h GLN 66 CO -0.13 0.00 -0.58 0.00 -2.65 0.00 0.00 178.83 175.48 2k93 h ALA 67 N 1.91 1.03 -0.12 3.38 0.00 -1.91 -1.71 119.26 121.85 2k93 h ALA 67 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2k93 h ALA 67 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k93 h ALA 67 CO 0.00 0.72 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2k93 n ALA 68 N -2.44 2.53 -0.03 0.00 0.00 0.86 -2.04 120.51 119.39 2k93 n ALA 68 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.11 2k93 n ALA 68 Cb 0.58 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.16 0.40 0.01 0.00 -0.00 -0.73 -3.97 119.36 114.91 2k93 n ILE 69 Ca 0.11 -0.29 -0.21 0.00 -0.00 0.00 0.00 62.75 62.36 2k93 n ILE 69 Cb 0.16 -0.56 -0.14 0.00 -0.00 0.00 0.00 39.64 39.11 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 0.38 0.79 4.38 3.58 -1.29 -1.86 116.42 122.40 2k93 h ASP 70 Ca -0.16 -0.86 -0.10 0.00 0.42 0.00 0.00 57.03 56.33 2k93 h ASP 70 Cb 1.22 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2k93 h ASP 70 CO 0.01 1.57 -0.48 0.22 -2.88 0.00 0.00 179.24 177.68 2k93 h TYR 71 N -0.34 0.00 0.08 0.28 3.20 -1.67 -3.03 116.97 115.48 2k93 h TYR 71 Ca -0.27 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.32 2k93 h TYR 71 Cb 1.72 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 2k93 h TYR 71 CO 0.14 0.48 -1.37 0.82 -1.64 0.00 0.00 178.16 176.59 2k93 h ILE 72 N 0.00 1.32 -0.28 1.81 5.03 -1.69 -3.23 117.51 120.48 2k93 h ILE 72 Ca -0.00 -2.99 0.08 0.00 -0.12 0.00 0.00 64.86 61.82 2k93 h ILE 72 Cb 1.00 2.78 -0.01 0.00 -3.03 0.00 0.00 36.82 37.56 2k93 h ILE 72 CO 0.06 0.83 0.51 -1.13 -0.68 0.00 0.00 178.15 177.75 2k93 h ASN 73 N 0.04 0.00 0.22 1.72 -0.73 -1.20 1.05 115.58 116.69 2k93 h ASN 73 Ca -0.17 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2k93 h ASN 73 Cb 1.95 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.54 2k93 h ASN 73 CO 0.15 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.82 2k93 n GLY 74 N -1.41 -0.67 0.12 1.57 0.00 -1.22 -3.05 105.19 100.53 2k93 n GLY 74 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2k93 n GLY 74 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k93 h HIS 75 N 0.00 -0.26 -2.52 1.61 -0.00 0.93 -3.44 115.15 111.47 2k93 h HIS 75 Ca 0.00 -0.01 -0.60 0.00 -0.00 0.00 0.00 60.37 59.76 2k93 h HIS 75 Cb 0.11 0.08 0.13 0.00 -0.00 0.00 0.00 27.41 27.74 2k93 h HIS 75 CO 0.00 -0.16 -0.10 0.00 -0.00 0.00 0.00 177.93 177.67 2k93 n GLN 76 N -3.18 0.97 -0.01 5.26 10.64 -1.17 -5.20 117.38 124.69 2k93 n GLN 76 Ca -0.03 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 2k93 n GLN 76 Cb 0.11 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 27.76 2k93 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23