#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 3.16 0.18 6.66 -4.23 -1.26 -4.83 115.64 115.31 2k93 s THR 2 Ca 0.00 0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 60.65 2k93 s THR 2 Cb 0.00 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.80 2k93 s THR 2 CO 0.00 -0.49 1.58 0.40 -0.54 0.00 0.00 174.62 175.57 2k93 h ILE 3 N -1.06 0.14 -0.21 2.99 1.08 -1.99 0.74 117.51 119.19 2k93 h ILE 3 Ca -0.47 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2k93 h ILE 3 Cb 1.26 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 2k93 h ILE 3 CO 0.59 0.00 0.12 -0.08 -0.69 0.00 0.00 178.15 178.08 2k93 h GLU 4 N -0.20 0.24 -0.73 2.37 4.22 -1.92 -0.64 114.58 117.91 2k93 h GLU 4 Ca 0.20 -0.01 0.21 0.00 0.08 0.00 0.00 59.36 59.84 2k93 h GLU 4 Cb 0.56 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2k93 h GLU 4 CO -0.67 0.16 0.82 1.49 -2.18 0.00 0.00 179.01 178.63 2k93 h GLU 5 N 0.24 0.00 0.00 1.92 4.81 -1.25 1.80 114.58 122.11 2k93 h GLU 5 Ca 0.08 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.05 2k93 h GLU 5 Cb 0.01 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 2k93 h GLU 5 CO -0.05 0.00 -1.77 0.54 -0.73 0.00 0.00 179.01 177.00 2k93 n ARG 6 N -3.49 0.64 -0.04 1.92 1.74 -0.36 -3.69 116.66 113.38 2k93 n ARG 6 Ca 0.15 0.20 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 2k93 n ARG 6 Cb 1.06 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 30.69 2k93 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k93 h VAL 7 N 0.00 1.36 0.00 1.55 2.07 0.37 -1.82 116.25 119.78 2k93 h VAL 7 Ca -0.29 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2k93 h VAL 7 Cb 1.91 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 2k93 h VAL 7 CO 0.06 0.36 0.00 2.29 0.02 0.00 0.00 177.57 180.30 2k93 n LYS 8 N -4.63 0.00 -0.04 1.57 -0.00 0.90 -1.08 118.16 114.88 2k93 n LYS 8 Ca -0.07 0.34 -0.01 0.00 -0.00 0.00 0.00 58.31 58.57 2k93 n LYS 8 Cb 0.34 -1.50 -0.00 0.00 -0.00 0.00 0.00 35.03 33.86 2k93 n LYS 8 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2k93 h LYS 9 N 0.00 0.00 -0.99 -1.58 3.11 -1.51 -3.28 116.57 112.32 2k93 h LYS 9 Ca 0.00 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.95 2k93 h LYS 9 Cb 0.16 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.31 2k93 h LYS 9 CO 0.00 0.00 0.62 0.82 -2.81 0.00 0.00 179.45 178.08 2k93 h ILE 10 N -0.68 0.95 -0.85 2.00 2.04 -1.20 0.28 117.51 120.04 2k93 h ILE 10 Ca 0.00 -0.35 0.21 0.00 1.00 0.00 0.00 64.86 65.72 2k93 h ILE 10 Cb 0.17 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 2k93 h ILE 10 CO 0.00 0.18 0.58 0.40 0.00 0.00 0.00 178.15 179.31 2k93 h ILE 11 N 1.01 0.66 0.00 -0.67 1.08 -1.27 1.80 117.51 120.12 2k93 h ILE 11 Ca 0.48 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 2k93 h ILE 11 Cb 0.42 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2k93 h ILE 11 CO -0.25 0.05 0.00 0.61 -0.69 0.00 0.00 178.15 177.87 2k93 n GLY 12 N -1.57 -1.08 0.06 5.37 0.00 0.98 -3.18 105.19 105.77 2k93 n GLY 12 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2k93 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k93 n GLN 13 N -1.35 0.78 -0.35 1.61 6.02 0.56 0.01 117.38 124.66 2k93 n GLN 13 Ca 0.09 0.06 0.03 0.00 -0.01 0.00 0.00 57.00 57.16 2k93 n GLN 13 Cb 0.20 -1.26 0.09 0.00 1.02 0.00 0.00 30.24 30.29 2k93 n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2k93 n GLN 14 N -2.77 -0.14 -0.03 -1.09 6.02 0.18 -3.06 117.38 116.49 2k93 n GLN 14 Ca -0.22 1.46 -0.03 0.00 -0.01 0.00 0.00 57.00 58.20 2k93 n GLN 14 Cb 0.77 -2.17 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 2k93 n GLN 14 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2k93 n LEU 15 N -5.47 1.45 0.00 1.08 -0.00 -1.25 -4.34 117.00 108.46 2k93 n LEU 15 Ca 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2k93 n LEU 15 Cb 0.43 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2k93 n LEU 15 CO -0.12 0.36 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 2k93 n GLY 16 N 2.94 0.80 3.14 1.47 0.00 -1.16 -5.08 105.19 107.31 2k93 n GLY 16 Ca -0.09 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.39 1.61 0.24 0.10 -4.96 118.33 114.93 2k93 n VAL 17 Ca 0.00 -1.51 0.00 0.00 -2.04 0.00 0.00 64.34 60.79 2k93 n VAL 17 Cb 0.00 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.52 3.52 -0.06 7.34 4.81 -1.26 -4.14 118.16 127.84 2k93 n LYS 18 Ca -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2k93 n LYS 18 Cb 0.54 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.53 2k93 n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2k93 n GLN 19 N 0.00 0.30 0.24 1.64 3.00 -1.26 -4.29 117.38 117.00 2k93 n GLN 19 Ca 0.00 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 2k93 n GLN 19 Cb 0.00 -1.11 0.61 0.00 0.00 0.00 0.00 30.24 29.73 2k93 n GLN 19 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2k93 h GLU 20 N -0.24 0.00 0.00 -1.09 5.08 -1.97 0.22 114.58 116.59 2k93 h GLU 20 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2k93 h GLU 20 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2k93 h GLU 20 CO -0.12 0.18 -0.12 0.39 -1.00 0.00 0.00 179.01 178.34 2k93 n GLU 21 N -3.59 0.24 -2.69 2.33 1.02 -1.26 -3.67 120.64 113.01 2k93 n GLU 21 Ca -0.01 0.17 -0.05 0.00 -0.02 0.00 0.00 57.16 57.24 2k93 n GLU 21 Cb 0.32 -1.75 0.04 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.47 -0.98 2.62 0.31 -0.47 -4.96 118.33 114.18 2k93 n VAL 22 Ca 0.05 -3.18 -0.36 0.00 -0.01 0.00 0.00 64.34 60.84 2k93 n VAL 22 Cb 0.42 0.81 0.04 0.00 -0.91 0.00 0.00 33.84 34.21 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 -0.57 0.00 -1.39 2.52 -2.24 0.66 -4.53 114.28 108.73 2k93 n THR 23 Ca 0.14 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.21 2k93 n THR 23 Cb 0.83 -0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 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 3.14 2.15 0.00 3.42 6.94 -1.26 -1.18 115.26 128.46 2k93 n ASN 24 Ca -0.01 -2.61 0.00 0.00 -0.02 0.00 0.00 54.58 51.93 2k93 n ASN 24 Cb 0.60 -1.31 0.00 0.00 -2.36 0.00 0.00 39.78 36.71 2k93 n ASN 24 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k93 n ASN 25 N 12.46 0.00 -4.30 0.53 5.15 -1.26 -4.55 115.26 123.29 2k93 n ASN 25 Ca 0.46 0.00 -0.55 0.00 -0.60 0.00 0.00 54.58 53.89 2k93 n ASN 25 Cb 0.44 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.62 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 -3.42 -1.65 5.20 0.00 -0.33 -4.52 120.51 115.79 2k93 n ALA 26 Ca 0.00 0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 2k93 n ALA 26 Cb 0.00 -1.67 0.13 0.00 0.00 0.00 0.00 19.45 17.91 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 1.51 0.11 0.03 0.00 7.64 -1.26 -3.26 113.62 118.39 2k93 n SER 27 Ca 0.19 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2k93 n SER 27 Cb 0.10 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 -3.15 -0.08 0.26 1.43 3.01 -0.32 -3.96 117.46 114.65 2k93 n PHE 28 Ca 0.11 0.01 0.15 0.00 1.01 0.00 0.00 57.45 58.73 2k93 n PHE 28 Cb 0.38 0.04 0.46 0.00 -0.01 0.00 0.00 39.48 40.34 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 -1.84 1.87 116.25 113.98 2k93 h VAL 29 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2k93 h VAL 29 Cb 0.00 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2k93 h VAL 29 CO 0.00 0.00 -1.20 -0.62 0.02 0.00 0.00 177.57 175.77 2k93 n GLU 30 N -3.08 0.88 -0.00 1.57 1.02 -1.26 -3.61 120.64 116.15 2k93 n GLU 30 Ca 0.02 -0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 2k93 n GLU 30 Cb 0.40 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.67 0.35 -2.02 1.62 2.03 -1.08 -4.71 116.55 111.07 2k93 n ASP 31 Ca 0.01 0.05 -0.15 0.00 0.52 0.00 0.00 54.79 55.23 2k93 n ASP 31 Cb 0.35 -0.30 0.21 0.00 -0.72 0.00 0.00 41.12 40.67 2k93 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k93 n LEU 32 N -2.84 6.09 -2.12 -2.67 4.77 0.34 -4.87 117.00 115.71 2k93 n LEU 32 Ca -0.01 -3.22 0.00 0.00 -0.03 0.00 0.00 56.01 52.75 2k93 n LEU 32 Cb 0.06 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2k93 n LEU 32 CO 0.02 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2k93 n GLY 33 N -0.60 -0.38 2.76 -0.72 0.00 0.53 -2.88 105.19 103.90 2k93 n GLY 33 Ca 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.10 -2.64 -2.75 4.61 0.00 0.41 -4.69 120.51 113.35 2k93 n ALA 34 Ca 0.00 1.49 -0.36 0.00 0.00 0.00 0.00 53.44 54.57 2k93 n ALA 34 Cb 0.38 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.64 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 -0.41 6.34 0.24 0.00 1.01 -1.14 -4.93 116.67 117.78 2k93 s ASP 35 Ca -0.18 0.39 -0.08 0.00 0.71 0.00 0.00 52.55 53.40 2k93 s ASP 35 Cb 0.01 -2.12 0.40 0.00 1.01 0.00 0.00 42.92 42.23 2k93 s ASP 35 CO 0.48 0.22 1.62 0.77 0.21 0.00 0.00 175.17 178.47 2k93 h SER 36 N 6.16 -0.47 -0.80 0.27 4.64 -1.93 1.31 113.55 122.72 2k93 h SER 36 Ca -0.45 0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2k93 h SER 36 Cb 1.18 0.39 -0.05 0.00 -0.31 0.00 0.00 62.40 63.60 2k93 h SER 36 CO 0.71 -0.21 0.53 -0.07 -0.87 0.00 0.00 176.83 176.92 2k93 h LEU 37 N 0.06 0.77 0.05 5.97 3.38 -1.94 1.55 115.31 125.17 2k93 h LEU 37 Ca 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 2k93 h LEU 37 Cb 0.68 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2k93 h LEU 37 CO -0.71 0.50 -0.03 0.44 0.09 0.00 0.00 178.44 178.74 2k93 h ASP 38 N 0.88 -0.06 0.27 -0.43 3.45 0.10 1.08 116.42 121.71 2k93 h ASP 38 Ca 0.34 -0.48 -0.03 0.00 0.43 0.00 0.00 57.03 57.29 2k93 h ASP 38 Cb 0.23 0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 2k93 h ASP 38 CO -0.12 0.47 -0.15 0.74 -1.57 0.00 0.00 179.24 178.61 2k93 h THR 39 N -0.62 0.83 0.13 0.35 2.02 0.13 -0.07 112.91 115.68 2k93 h THR 39 Ca -0.01 -0.58 -0.25 0.00 0.77 0.00 0.00 66.41 66.34 2k93 h THR 39 Cb 0.54 1.34 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2k93 h THR 39 CO 0.01 0.15 -1.22 0.58 0.37 0.00 0.00 175.52 175.41 2k93 h VAL 40 N 0.00 1.20 0.00 3.16 2.07 0.23 -3.22 116.25 119.69 2k93 h VAL 40 Ca -0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.06 2k93 h VAL 40 Cb 0.33 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2k93 h VAL 40 CO 0.02 0.71 0.00 -0.33 0.02 0.00 0.00 177.57 177.99 2k93 h GLU 41 N -0.30 0.00 0.00 1.57 4.39 0.16 0.10 114.58 120.50 2k93 h GLU 41 Ca -0.25 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.26 2k93 h GLU 41 Cb 1.75 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.37 2k93 h GLU 41 CO 0.10 0.00 -0.90 1.25 -1.16 0.00 0.00 179.01 178.30 2k93 h LEU 42 N 0.00 0.00 0.00 1.33 5.85 -1.07 0.46 115.31 121.88 2k93 h LEU 42 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 2k93 h LEU 42 Cb 0.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2k93 h LEU 42 CO 0.00 0.90 -0.86 0.58 -0.34 0.00 0.00 178.44 178.72 2k93 h VAL 43 N 0.00 1.31 0.13 1.05 2.07 -1.04 -2.80 116.25 116.98 2k93 h VAL 43 Ca -0.01 -2.89 -0.35 0.00 0.82 0.00 0.00 66.70 64.28 2k93 h VAL 43 Cb 1.62 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 34.03 2k93 h VAL 43 CO 0.12 0.75 -1.83 0.24 0.02 0.00 0.00 177.57 176.87 2k93 h MET 44 N 0.00 0.28 -0.37 1.57 2.86 -1.22 -2.89 114.93 115.16 2k93 h MET 44 Ca -0.03 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 2k93 h MET 44 Cb 1.63 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.45 2k93 h MET 44 CO 0.10 1.16 0.20 0.00 1.06 0.00 0.00 176.91 179.43 2k93 h ALA 45 N 0.24 0.47 0.00 6.32 0.00 -0.17 0.71 119.26 126.83 2k93 h ALA 45 Ca -0.36 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2k93 h ALA 45 Cb 2.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2k93 h ALA 45 CO 0.13 -0.00 -0.44 -0.07 0.00 0.00 0.00 179.25 178.87 2k93 h LEU 46 N 0.47 0.00 0.01 0.00 3.38 -1.65 -1.90 115.31 115.63 2k93 h LEU 46 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k93 h LEU 46 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2k93 h LEU 46 CO -0.02 0.44 -0.01 -0.33 0.09 0.00 0.00 178.44 178.61 2k93 h GLU 47 N 0.00 -0.02 0.00 1.13 4.39 -1.09 -1.03 114.58 117.96 2k93 h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k93 h GLU 47 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2k93 h GLU 47 CO 0.06 0.57 0.00 -1.91 -1.16 0.00 0.00 179.01 176.57 2k93 n GLU 48 N -4.81 0.10 -0.01 2.33 0.00 0.24 0.21 120.64 118.70 2k93 n GLU 48 Ca -0.09 0.43 -0.00 0.00 0.00 0.00 0.00 57.16 57.50 2k93 n GLU 48 Cb 0.30 -1.72 -0.00 0.00 0.00 0.00 0.00 31.44 30.02 2k93 n GLU 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2k93 h GLU 49 N 0.00 0.00 0.00 5.31 4.22 -1.18 -3.44 114.58 119.49 2k93 h GLU 49 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 2k93 h GLU 49 Cb 0.20 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2k93 h GLU 49 CO 0.00 0.00 -0.50 1.19 -2.18 0.00 0.00 179.01 177.52 2k93 n PHE 50 N -2.50 0.00 -4.06 0.92 3.72 -0.41 -5.00 117.46 110.14 2k93 n PHE 50 Ca -0.01 -0.87 -0.40 0.00 -0.05 0.00 0.00 57.45 56.12 2k93 n PHE 50 Cb 0.02 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k93 n ASP 51 N -0.63 -2.99 -0.11 4.37 2.03 0.57 -4.85 116.55 114.93 2k93 n ASP 51 Ca 0.12 -1.15 -0.24 0.00 0.52 0.00 0.00 54.79 54.03 2k93 n ASP 51 Cb 0.78 -1.39 -0.11 0.00 -0.72 0.00 0.00 41.12 39.68 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 -4.54 1.56 -1.65 5.18 -2.24 -1.20 -4.93 114.28 106.46 2k93 n THR 52 Ca -0.12 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2k93 n THR 52 Cb 0.51 -1.79 -0.00 0.00 -2.10 0.00 0.00 70.33 66.94 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 -3.96 -0.53 -2.81 -0.78 1.02 -1.26 -4.98 120.64 107.34 2k93 n GLU 53 Ca -0.45 0.84 -0.42 0.00 -0.02 0.00 0.00 57.16 57.12 2k93 n GLU 53 Cb 0.89 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 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 -0.14 4.88 0.00 -3.67 -1.16 -1.26 -5.04 121.20 114.81 2k93 s ILE 54 Ca -0.02 1.84 0.00 0.00 -0.51 0.00 0.00 60.65 61.96 2k93 s ILE 54 Cb 0.00 -4.22 0.00 0.00 0.61 0.00 0.00 42.46 38.85 2k93 s ILE 54 CO 0.10 0.11 0.00 -0.81 -2.81 0.00 0.00 174.94 171.53 2k93 n PRO 55 N 4.45 0.11 0.03 3.50 -0.04 -1.26 -4.57 135.00 137.23 2k93 n PRO 55 Ca 0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2k93 n PRO 55 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.77 0.54 -0.05 3.54 2.03 -1.26 -3.57 116.55 116.01 2k93 n ASP 56 Ca 0.00 -0.12 -0.01 0.00 0.52 0.00 0.00 54.79 55.18 2k93 n ASP 56 Cb 0.00 1.01 -0.00 0.00 -0.72 0.00 0.00 41.12 41.41 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k93 h GLU 57 N 0.00 0.00 0.00 -0.67 5.08 -2.02 -3.31 114.58 113.66 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 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 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 -0.96 0.00 -0.05 2.33 5.08 -1.97 -1.68 114.58 117.33 2k93 h GLU 58 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k93 h GLU 58 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k93 h GLU 58 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2k93 h ALA 59 N 2.02 0.07 -0.89 3.43 0.00 -1.66 -2.55 119.26 119.68 2k93 h ALA 59 Ca 0.00 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.92 2k93 h ALA 59 Cb 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2k93 h ALA 59 CO 0.00 -0.28 0.57 1.49 0.00 0.00 0.00 179.25 181.04 2k93 h GLU 60 N -0.18 0.59 -0.01 0.00 4.81 -1.38 1.52 114.58 119.93 2k93 h GLU 60 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k93 h GLU 60 Cb 0.30 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2k93 h GLU 60 CO 0.00 0.39 0.00 1.17 -0.73 0.00 0.00 179.01 179.84 2k93 n LYS 61 N -4.56 1.03 -1.91 1.92 4.81 -1.03 -2.93 118.16 115.49 2k93 n LYS 61 Ca 0.18 -0.05 0.01 0.00 -0.87 0.00 0.00 58.31 57.58 2k93 n LYS 61 Cb 0.53 -1.31 0.05 0.00 0.02 0.00 0.00 35.03 34.32 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 -0.76 0.82 0.48 3.15 5.41 0.51 -4.85 119.36 124.12 2k93 n ILE 62 Ca 0.15 -2.10 -0.05 0.00 1.00 0.00 0.00 62.75 61.75 2k93 n ILE 62 Cb 0.08 0.85 0.05 0.00 -0.71 0.00 0.00 39.64 39.91 2k93 n ILE 62 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k93 n THR 63 N -0.12 1.41 -3.05 1.39 -2.24 -0.36 -4.78 114.28 106.53 2k93 n THR 63 Ca 0.10 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2k93 n THR 63 Cb 0.97 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2k93 n THR 63 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2k93 n THR 64 N 0.11 0.00 -0.07 4.28 -2.24 -1.26 -1.18 114.28 113.92 2k93 n THR 64 Ca 0.13 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.76 2k93 n THR 64 Cb 0.74 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.80 0.70 2.28 0.31 -1.20 -4.49 118.33 116.72 2k93 n VAL 65 Ca 0.00 -0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.20 2k93 n VAL 65 Cb 0.00 -1.69 0.37 0.00 -0.91 0.00 0.00 33.84 31.61 2k93 n VAL 65 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2k93 n GLN 66 N -3.65 0.20 0.05 5.55 -0.06 -1.26 -2.15 117.38 116.06 2k93 n GLN 66 Ca -0.29 0.15 -0.18 0.00 -2.00 0.00 0.00 57.00 54.69 2k93 n GLN 66 Cb 0.70 -1.50 -0.08 0.00 -4.06 0.00 0.00 30.24 25.30 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 2.70 0.22 -0.07 1.69 0.00 -1.91 -0.71 119.26 121.17 2k93 h ALA 67 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2k93 h ALA 67 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k93 h ALA 67 CO 0.00 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.98 2k93 n ALA 68 N -2.61 2.55 0.00 0.00 0.00 -0.91 -1.53 120.51 118.01 2k93 n ALA 68 Ca -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.15 2k93 n ALA 68 Cb 0.86 -1.16 -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 -0.37 0.00 -0.06 0.00 -0.00 -1.08 -3.98 119.36 113.87 2k93 n ILE 69 Ca 0.11 -0.12 -0.18 0.00 -0.00 0.00 0.00 62.75 62.56 2k93 n ILE 69 Cb 0.13 0.40 -0.13 0.00 -0.00 0.00 0.00 39.64 40.03 2k93 n ILE 69 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2k93 n ASP 70 N -1.66 1.85 0.01 4.38 10.43 -0.29 -3.14 116.55 128.13 2k93 n ASP 70 Ca -0.01 0.07 -0.17 0.00 2.57 0.00 0.00 54.79 57.25 2k93 n ASP 70 Cb 0.13 -0.52 -0.12 0.00 1.84 0.00 0.00 41.12 42.45 2k93 n ASP 70 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 2k93 h TYR 71 N 0.03 0.48 -0.22 1.24 5.03 -1.52 -3.27 116.97 118.74 2k93 h TYR 71 Ca -0.48 -0.29 -0.09 0.00 2.58 0.00 0.00 58.73 60.45 2k93 h TYR 71 Cb 1.99 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 40.22 2k93 h TYR 71 CO 0.05 1.14 -0.25 0.82 -1.32 0.00 0.00 178.16 178.60 2k93 h ILE 72 N -0.31 1.26 -1.37 1.81 5.03 -1.75 -2.49 117.51 119.69 2k93 h ILE 72 Ca -0.08 -1.22 0.41 0.00 -0.12 0.00 0.00 64.86 63.85 2k93 h ILE 72 Cb 1.32 1.36 -0.09 0.00 -3.03 0.00 0.00 36.82 36.38 2k93 h ILE 72 CO 0.11 0.38 0.93 -1.13 -0.68 0.00 0.00 178.15 177.76 2k93 h ASN 73 N 0.37 0.17 -1.58 1.72 -0.73 -1.59 0.37 115.58 114.30 2k93 h ASN 73 Ca 0.06 0.06 0.46 0.00 1.87 0.00 0.00 56.30 58.75 2k93 h ASN 73 Cb 0.63 0.05 -0.06 0.00 0.27 0.00 0.00 38.32 39.21 2k93 h ASN 73 CO 0.05 -0.05 1.32 0.61 -0.37 0.00 0.00 177.43 178.98 2k93 n GLY 74 N -1.66 -0.88 0.22 1.57 0.00 -0.94 -0.57 105.19 102.93 2k93 n GLY 74 Ca 0.33 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.78 -3.05 1.61 -0.00 -0.51 -3.39 115.15 109.03 2k93 h HIS 75 Ca 0.75 0.03 -0.54 0.00 -0.00 0.00 0.00 60.37 60.62 2k93 h HIS 75 Cb 3.38 0.36 0.08 0.00 -0.00 0.00 0.00 27.41 31.22 2k93 h HIS 75 CO 0.00 -0.25 0.89 0.00 -0.00 0.00 0.00 177.93 178.58 2k93 n GLN 76 N -3.93 2.66 0.00 5.26 10.64 0.26 -5.22 117.38 127.05 2k93 n GLN 76 Ca -0.02 0.95 0.10 0.00 -1.83 0.00 0.00 57.00 56.20 2k93 n GLN 76 Cb 0.17 -2.74 0.09 0.00 -0.86 0.00 0.00 30.24 26.90 2k93 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23