#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 2.21 0.03 6.66 -4.23 -1.26 -4.94 115.64 114.11 2k93 s THR 2 Ca 0.00 -0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 59.80 2k93 s THR 2 Cb 0.00 -2.68 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 2k93 s THR 2 CO 0.00 0.00 1.27 0.40 -0.54 0.00 0.00 174.62 175.75 2k93 h ILE 3 N -0.54 0.00 -1.01 2.99 1.08 -1.99 -1.92 117.51 116.13 2k93 h ILE 3 Ca -0.38 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.32 2k93 h ILE 3 Cb 1.27 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.90 2k93 h ILE 3 CO 0.43 0.00 0.60 -0.08 -0.69 0.00 0.00 178.15 178.42 2k93 h GLU 4 N -0.58 0.61 -0.90 2.37 4.81 -1.92 0.58 114.58 119.54 2k93 h GLU 4 Ca -0.05 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.29 2k93 h GLU 4 Cb 0.47 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 2k93 h GLU 4 CO 0.04 0.40 0.58 1.49 -0.73 0.00 0.00 179.01 180.80 2k93 h GLU 5 N 0.63 0.68 0.00 1.92 4.81 -1.83 0.65 114.58 121.44 2k93 h GLU 5 Ca 0.62 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 2k93 h GLU 5 Cb 1.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2k93 h GLU 5 CO -0.44 0.45 -0.18 0.00 -0.73 0.00 0.00 179.01 178.11 2k93 h ARG 6 N 0.70 0.00 0.00 1.92 3.08 0.88 -3.13 114.38 117.83 2k93 h ARG 6 Ca 0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.51 2k93 h ARG 6 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2k93 h ARG 6 CO -0.21 0.00 -0.04 0.28 -1.07 0.00 0.00 179.97 178.93 2k93 h VAL 7 N 0.00 0.11 0.00 2.04 2.07 0.13 -2.64 116.25 117.96 2k93 h VAL 7 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2k93 h VAL 7 Cb 0.84 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k93 h VAL 7 CO 0.00 0.04 0.24 0.07 0.02 0.00 0.00 177.57 177.94 2k93 h LYS 8 N -1.00 0.00 0.03 1.57 -0.00 -0.45 0.46 116.57 117.18 2k93 h LYS 8 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2k93 h LYS 8 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.33 2k93 h LYS 8 CO -0.00 0.00 -0.02 -0.22 -0.00 0.00 0.00 179.45 179.21 2k93 h LYS 9 N 0.00 -0.04 -0.99 0.07 3.64 -1.59 -3.24 116.57 114.42 2k93 h LYS 9 Ca 0.00 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 2k93 h LYS 9 Cb 0.49 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.22 2k93 h LYS 9 CO 0.00 -0.03 0.62 0.82 -2.27 0.00 0.00 179.45 178.60 2k93 h ILE 10 N -0.70 0.63 -0.95 2.00 1.08 -0.91 0.52 117.51 119.18 2k93 h ILE 10 Ca -0.00 -0.19 0.17 0.00 -0.39 0.00 0.00 64.86 64.45 2k93 h ILE 10 Cb 0.03 0.01 -0.10 0.00 -3.07 0.00 0.00 36.82 33.70 2k93 h ILE 10 CO 0.01 0.10 0.55 0.40 -0.69 0.00 0.00 178.15 178.52 2k93 h ILE 11 N 0.57 0.71 -0.23 -0.67 1.08 -1.06 0.68 117.51 118.60 2k93 h ILE 11 Ca 0.57 -0.25 0.07 0.00 -0.39 0.00 0.00 64.86 64.86 2k93 h ILE 11 Cb 1.16 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2k93 h ILE 11 CO -0.32 0.13 0.17 1.23 -0.69 0.00 0.00 178.15 178.67 2k93 h GLY 12 N 0.71 0.00 1.05 5.37 0.00 0.04 -1.52 103.07 108.72 2k93 h GLY 12 Ca 0.54 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.52 2k93 h GLY 12 CO -0.38 0.00 -1.66 -1.61 0.00 0.00 0.00 176.54 172.89 2k93 h GLN 13 N 0.00 0.46 -1.05 4.80 4.15 0.28 -1.25 115.11 122.49 2k93 h GLN 13 Ca 0.11 -0.78 0.30 0.00 0.77 0.00 0.00 58.65 59.05 2k93 h GLN 13 Cb 0.45 0.29 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 2k93 h GLN 13 CO -0.00 1.37 0.75 1.96 -1.93 0.00 0.00 178.83 180.98 2k93 h GLN 14 N 0.12 0.04 0.00 1.69 4.20 0.09 -3.39 115.11 117.86 2k93 h GLN 14 Ca -0.31 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2k93 h GLN 14 Cb 2.13 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.90 2k93 h GLN 14 CO 0.22 0.03 0.00 1.47 -0.67 0.00 0.00 178.83 179.88 2k93 n LEU 15 N -4.26 0.00 0.00 1.46 -0.00 -1.05 -3.97 117.00 109.18 2k93 n LEU 15 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 2k93 n LEU 15 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.51 2k93 n LEU 15 CO 0.38 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.38 2k93 n GLY 16 N 1.83 -1.17 3.09 1.47 0.00 -0.47 -5.03 105.19 104.90 2k93 n GLY 16 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.24 1.61 0.24 -1.23 -5.08 118.33 113.64 2k93 n VAL 17 Ca 0.00 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 2k93 n VAL 17 Cb 0.00 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 -0.48 3.50 -0.06 7.34 4.81 -1.26 -4.56 118.16 127.44 2k93 n LYS 18 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.33 2k93 n LYS 18 Cb 0.51 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.47 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 1.67 0.00 1.64 -0.00 -1.26 -4.19 117.38 115.24 2k93 n GLN 19 Ca 0.00 0.01 0.14 0.00 -0.00 0.00 0.00 57.00 57.16 2k93 n GLN 19 Cb 0.00 -1.32 0.68 0.00 -0.00 0.00 0.00 30.24 29.60 2k93 n GLN 19 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2k93 n GLU 20 N -2.56 0.49 -0.00 2.61 0.28 -1.26 -1.95 120.64 118.25 2k93 n GLU 20 Ca -0.22 -0.09 0.10 0.00 -0.16 0.00 0.00 57.16 56.80 2k93 n GLU 20 Cb 0.88 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.11 2k93 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2k93 n GLU 21 N -1.18 0.40 -2.66 3.44 1.02 -1.26 -4.39 120.64 116.00 2k93 n GLU 21 Ca 0.14 -0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 57.13 2k93 n GLU 21 Cb 0.26 -1.49 0.04 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 -1.83 1.54 -0.96 2.62 0.31 -1.15 -4.95 118.33 113.90 2k93 n VAL 22 Ca 0.00 -3.21 -0.34 0.00 -0.01 0.00 0.00 64.34 60.78 2k93 n VAL 22 Cb 0.43 0.76 0.03 0.00 -0.91 0.00 0.00 33.84 34.16 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 -0.61 0.00 -1.54 2.52 -2.24 -0.82 -4.52 114.28 107.07 2k93 n THR 23 Ca 0.15 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 2k93 n THR 23 Cb 0.84 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.98 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 3.17 2.14 0.00 3.42 3.02 -1.26 -1.32 115.26 124.43 2k93 n ASN 24 Ca -0.01 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 2k93 n ASN 24 Cb 0.52 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 2k93 n ASN 24 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2k93 n ASN 25 N 14.25 0.00 -4.37 6.41 2.85 -1.26 -4.46 115.26 128.68 2k93 n ASN 25 Ca 0.45 0.00 -0.62 0.00 -0.11 0.00 0.00 54.58 54.29 2k93 n ASN 25 Cb 0.45 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.38 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k93 n ALA 26 N 0.00 -1.19 -2.52 5.20 0.00 -0.44 -4.52 120.51 117.03 2k93 n ALA 26 Ca 0.00 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 2k93 n ALA 26 Cb 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 2k93 n ALA 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k93 s SER 27 N 2.89 6.04 0.23 0.00 0.01 -1.26 -3.16 113.70 118.45 2k93 s SER 27 Ca 0.98 -0.87 -0.02 0.00 1.31 0.00 0.00 55.95 57.35 2k93 s SER 27 Cb -1.39 -2.14 0.48 0.00 0.21 0.00 0.00 66.02 63.19 2k93 s SER 27 CO 0.75 -0.42 1.20 0.49 0.41 0.00 0.00 173.24 175.67 2k93 n PHE 28 N 5.13 0.39 -0.45 2.43 3.01 -1.15 0.25 117.46 127.07 2k93 n PHE 28 Ca -0.11 0.93 0.37 0.00 1.01 0.00 0.00 57.45 59.64 2k93 n PHE 28 Cb 0.47 -1.02 0.61 0.00 -0.01 0.00 0.00 39.48 39.53 2k93 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k93 n VAL 29 N -5.15 -0.17 0.00 -4.37 0.31 -1.26 0.19 118.33 107.88 2k93 n VAL 29 Ca 0.15 1.48 0.00 0.00 -0.01 0.00 0.00 64.34 65.96 2k93 n VAL 29 Cb 0.50 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 2k93 n VAL 29 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k93 n GLU 30 N -4.23 0.00 -0.36 5.55 1.02 0.65 -3.60 120.64 119.67 2k93 n GLU 30 Ca 0.35 0.00 0.34 0.00 -0.02 0.00 0.00 57.16 57.83 2k93 n GLU 30 Cb 1.43 -0.45 0.61 0.00 -0.02 0.00 0.00 31.44 33.01 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 0.00 0.30 -0.19 1.62 3.58 0.36 -1.99 116.42 120.09 2k93 h ASP 31 Ca 0.00 0.23 -0.20 0.00 0.42 0.00 0.00 57.03 57.49 2k93 h ASP 31 Cb 0.73 0.24 -0.29 0.00 1.72 0.00 0.00 39.33 41.74 2k93 h ASP 31 CO 0.00 -0.39 -0.74 0.18 -2.88 0.00 0.00 179.24 175.40 2k93 n LEU 32 N -5.13 0.22 -2.33 2.28 4.77 -0.18 -4.93 117.00 111.70 2k93 n LEU 32 Ca 0.38 -2.85 -0.01 0.00 -0.03 0.00 0.00 56.01 53.50 2k93 n LEU 32 Cb 1.35 0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 42.68 2k93 n LEU 32 CO 0.05 1.24 -0.00 0.61 -1.33 0.00 0.00 177.39 177.96 2k93 n GLY 33 N -0.72 -0.44 2.81 -0.72 0.00 0.14 -2.74 105.19 103.52 2k93 n GLY 33 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.25 -2.60 -2.80 4.61 0.00 0.51 -4.81 120.51 113.18 2k93 n ALA 34 Ca 0.00 1.41 -0.25 0.00 0.00 0.00 0.00 53.44 54.61 2k93 n ALA 34 Cb 0.44 -2.97 -0.05 0.00 0.00 0.00 0.00 19.45 16.87 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 -0.42 5.48 0.03 0.00 1.01 -1.11 -4.97 116.67 116.69 2k93 s ASP 35 Ca -0.17 -0.18 -0.28 0.00 0.71 0.00 0.00 52.55 52.63 2k93 s ASP 35 Cb 0.01 -1.41 -0.17 0.00 1.01 0.00 0.00 42.92 42.37 2k93 s ASP 35 CO 0.47 0.04 1.36 0.28 0.21 0.00 0.00 175.17 177.52 2k93 h SER 36 N 2.14 -0.56 -0.30 0.27 0.02 -1.94 0.72 113.55 113.90 2k93 h SER 36 Ca -0.48 -0.06 0.09 0.00 -0.84 0.00 0.00 61.79 60.50 2k93 h SER 36 Cb 1.21 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 2k93 h SER 36 CO 0.62 -0.26 0.37 -0.07 -1.14 0.00 0.00 176.83 176.35 2k93 h LEU 37 N -0.87 0.00 0.15 5.07 3.38 -1.96 1.51 115.31 122.59 2k93 h LEU 37 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2k93 h LEU 37 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k93 h LEU 37 CO 0.11 0.00 -0.07 0.44 0.09 0.00 0.00 178.44 179.01 2k93 h ASP 38 N 0.00 -0.18 0.72 -0.43 3.45 -1.54 0.47 116.42 118.92 2k93 h ASP 38 Ca 0.14 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.39 2k93 h ASP 38 Cb 0.88 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 2k93 h ASP 38 CO -0.00 0.38 0.00 0.74 -1.57 0.00 0.00 179.24 178.79 2k93 h THR 39 N -1.00 0.00 0.14 0.35 2.02 0.49 -2.37 112.91 112.54 2k93 h THR 39 Ca -0.02 -0.32 -0.36 0.00 0.77 0.00 0.00 66.41 66.48 2k93 h THR 39 Cb 0.38 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2k93 h THR 39 CO 0.03 0.00 -1.95 0.58 0.37 0.00 0.00 175.52 174.56 2k93 h VAL 40 N 0.00 0.69 0.00 3.16 2.07 0.20 -3.33 116.25 119.04 2k93 h VAL 40 Ca 0.00 -2.38 -0.00 0.00 0.82 0.00 0.00 66.70 65.14 2k93 h VAL 40 Cb 0.36 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2k93 h VAL 40 CO 0.00 0.90 -0.01 -0.33 0.02 0.00 0.00 177.57 178.14 2k93 h GLU 41 N 0.08 0.00 0.00 1.57 4.39 0.34 0.26 114.58 121.22 2k93 h GLU 41 Ca -0.41 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.13 2k93 h GLU 41 Cb 2.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 2k93 h GLU 41 CO 0.11 0.01 -0.78 1.25 -1.16 0.00 0.00 179.01 178.44 2k93 h LEU 42 N 0.00 0.00 -0.17 1.33 5.85 -1.54 1.01 115.31 121.78 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 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2k93 h LEU 42 CO 0.00 0.78 -0.61 0.58 -0.34 0.00 0.00 178.44 178.85 2k93 h VAL 43 N 0.00 1.10 0.08 1.05 2.07 -1.07 -2.73 116.25 116.75 2k93 h VAL 43 Ca -0.01 -2.41 -0.36 0.00 0.82 0.00 0.00 66.70 64.74 2k93 h VAL 43 Cb 1.44 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 2k93 h VAL 43 CO 0.10 0.60 -2.01 0.23 0.02 0.00 0.00 177.57 176.51 2k93 n MET 44 N -3.32 0.70 0.10 1.57 2.81 -0.84 -3.07 117.12 115.08 2k93 n MET 44 Ca 0.01 0.29 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 2k93 n MET 44 Cb 0.75 -1.67 -0.06 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 -0.09 -0.31 -0.10 3.04 0.00 0.97 1.16 119.26 123.94 2k93 h ALA 45 Ca -0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2k93 h ALA 45 Cb 1.88 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 2k93 h ALA 45 CO -0.02 -0.71 -0.19 -0.07 0.00 0.00 0.00 179.25 178.26 2k93 h LEU 46 N -0.35 0.15 -0.29 0.00 3.38 -1.68 0.21 115.31 116.73 2k93 h LEU 46 Ca 0.03 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2k93 h LEU 46 Cb 0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2k93 h LEU 46 CO -0.10 0.36 -0.27 -0.33 0.09 0.00 0.00 178.44 178.19 2k93 h GLU 47 N 0.15 0.70 0.00 1.13 5.08 -1.14 -1.61 114.58 118.89 2k93 h GLU 47 Ca 0.03 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2k93 h GLU 47 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k93 h GLU 47 CO 0.03 0.97 0.00 -1.91 -1.00 0.00 0.00 179.01 177.10 2k93 n GLU 48 N -4.28 0.16 0.00 2.33 0.00 0.39 -0.88 120.64 118.36 2k93 n GLU 48 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.29 2k93 n GLU 48 Cb 0.46 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 30.20 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 -1.98 0.00 0.00 5.31 4.07 0.69 -4.74 120.64 123.99 2k93 n GLU 49 Ca 0.06 0.31 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 2k93 n GLU 49 Cb 0.37 -0.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 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 -1.52 0.00 -3.21 4.31 3.72 -0.69 -5.02 117.46 115.06 2k93 n PHE 50 Ca 0.00 -0.36 -0.15 0.00 -0.05 0.00 0.00 57.45 56.89 2k93 n PHE 50 Cb 0.00 -0.04 0.07 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.36 -6.54 -0.01 4.37 2.03 -0.06 -4.94 116.55 111.04 2k93 n ASP 51 Ca 0.00 -0.69 0.08 0.00 0.52 0.00 0.00 54.79 54.69 2k93 n ASP 51 Cb 0.31 -5.10 -0.12 0.00 -0.72 0.00 0.00 41.12 35.49 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 -3.18 0.00 -3.11 5.18 5.66 -1.09 -4.93 114.28 112.81 2k93 n THR 52 Ca -0.07 -0.34 -0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2k93 n THR 52 Cb 0.62 0.19 -0.00 0.00 -1.55 0.00 0.00 70.33 69.58 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 -2.00 -0.93 -2.74 1.09 0.28 -1.26 -4.87 120.64 110.22 2k93 n GLU 53 Ca -0.03 1.13 -0.40 0.00 -0.16 0.00 0.00 57.16 57.70 2k93 n GLU 53 Cb 0.39 -1.34 -0.05 0.00 1.43 0.00 0.00 31.44 31.87 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 -0.72 4.23 0.00 3.84 2.07 -1.26 -5.01 121.20 124.35 2k93 s ILE 54 Ca -0.01 2.07 0.00 0.00 -1.41 0.00 0.00 60.65 61.30 2k93 s ILE 54 Cb 0.00 -4.32 0.00 0.00 0.13 0.00 0.00 42.46 38.27 2k93 s ILE 54 CO 0.08 0.43 0.00 -0.81 -1.91 0.00 0.00 174.94 172.72 2k93 n PRO 55 N 1.99 0.08 0.01 3.50 -0.04 -1.26 -4.49 135.00 134.80 2k93 n PRO 55 Ca -0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2k93 n PRO 55 Cb 0.48 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.83 0.50 -0.06 3.54 2.03 -1.26 -3.96 116.55 115.51 2k93 n ASP 56 Ca 0.00 -0.28 -0.04 0.00 0.52 0.00 0.00 54.79 54.99 2k93 n ASP 56 Cb 0.00 1.24 -0.03 0.00 -0.72 0.00 0.00 41.12 41.61 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 -3.30 114.58 113.67 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 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k93 h GLU 57 CO 0.00 0.24 0.19 0.93 -1.00 0.00 0.00 179.01 179.36 2k93 h GLU 58 N -1.00 0.00 -0.93 2.33 3.07 -1.97 0.59 114.58 116.68 2k93 h GLU 58 Ca -0.01 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 2k93 h GLU 58 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 2k93 h GLU 58 CO -0.01 0.00 0.61 0.00 -1.40 0.00 0.00 179.01 178.21 2k93 h ALA 59 N 1.60 1.21 0.14 3.43 0.00 -1.68 0.12 119.26 124.07 2k93 h ALA 59 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k93 h ALA 59 Cb 0.37 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2k93 h ALA 59 CO 0.00 0.51 -0.27 0.93 0.00 0.00 0.00 179.25 180.42 2k93 h GLU 60 N 1.20 -0.48 0.00 0.00 3.07 -1.02 1.70 114.58 119.06 2k93 h GLU 60 Ca 0.36 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2k93 h GLU 60 Cb -0.06 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2k93 h GLU 60 CO -0.10 -0.32 0.00 0.36 -1.40 0.00 0.00 179.01 177.55 2k93 n LYS 61 N -5.38 0.37 -1.14 2.33 2.85 -0.97 -2.03 118.16 114.19 2k93 n LYS 61 Ca -0.07 0.08 0.03 0.00 -1.05 0.00 0.00 58.31 57.30 2k93 n LYS 61 Cb 0.29 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.29 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 -1.21 1.35 -0.28 0.58 5.41 0.65 -4.82 119.36 121.05 2k93 n ILE 62 Ca 0.11 -2.45 -0.10 0.00 1.00 0.00 0.00 62.75 61.31 2k93 n ILE 62 Cb 0.13 0.24 0.04 0.00 -0.71 0.00 0.00 39.64 39.34 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 -0.46 2.15 -4.15 1.39 5.66 0.55 -4.81 114.28 114.61 2k93 n THR 63 Ca 0.15 -0.98 -0.11 0.00 -3.05 0.00 0.00 64.05 60.07 2k93 n THR 63 Cb 0.89 -1.13 -0.09 0.00 -1.55 0.00 0.00 70.33 68.44 2k93 n THR 63 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k93 s THR 64 N -1.33 0.04 -0.04 1.09 -4.23 -1.26 -2.95 115.64 106.95 2k93 s THR 64 Ca 0.20 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.75 2k93 s THR 64 Cb 0.16 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 2k93 s THR 64 CO 0.01 -0.16 0.41 0.58 -0.54 0.00 0.00 174.62 174.92 2k93 h VAL 65 N 2.66 0.00 -0.04 2.29 2.07 -1.78 -3.17 116.25 118.28 2k93 h VAL 65 Ca -0.35 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2k93 h VAL 65 Cb 1.23 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2k93 h VAL 65 CO 0.53 0.00 0.47 -0.61 0.02 0.00 0.00 177.57 177.98 2k93 h GLN 66 N -0.87 0.00 0.00 1.57 5.75 -1.86 1.50 115.11 121.20 2k93 h GLN 66 Ca -0.03 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 2k93 h GLN 66 Cb 0.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2k93 h GLN 66 CO 0.05 0.00 -0.32 0.00 -2.65 0.00 0.00 178.83 175.91 2k93 h ALA 67 N 1.10 1.15 -0.12 3.38 0.00 -1.89 -0.84 119.26 122.04 2k93 h ALA 67 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k93 h ALA 67 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k93 h ALA 67 CO -0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2k93 n ALA 68 N -2.33 2.54 -0.02 0.00 0.00 0.51 -2.47 120.51 118.75 2k93 n ALA 68 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 53.44 53.01 2k93 n ALA 68 Cb 0.42 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 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 0.10 0.21 0.02 0.00 -0.00 -0.43 -3.85 119.36 115.42 2k93 n ILE 69 Ca 0.16 -0.29 -0.17 0.00 -0.00 0.00 0.00 62.75 62.46 2k93 n ILE 69 Cb 0.29 -0.06 -0.14 0.00 -0.00 0.00 0.00 39.64 39.73 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 0.31 0.39 4.38 3.58 -1.28 -2.52 116.42 121.28 2k93 h ASP 70 Ca -0.08 -0.57 -0.24 0.00 0.42 0.00 0.00 57.03 56.56 2k93 h ASP 70 Cb 0.83 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2k93 h ASP 70 CO 0.00 1.49 -1.02 0.22 -2.88 0.00 0.00 179.24 177.06 2k93 h TYR 71 N 0.05 0.60 0.01 0.28 3.20 -1.72 -3.24 116.97 116.16 2k93 h TYR 71 Ca -0.32 -0.35 -0.21 0.00 3.14 0.00 0.00 58.73 60.99 2k93 h TYR 71 Cb 2.02 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 40.23 2k93 h TYR 71 CO 0.05 1.19 -0.93 0.82 -1.64 0.00 0.00 178.16 177.65 2k93 h ILE 72 N 0.20 1.47 -0.96 1.81 1.08 -1.71 -3.06 117.51 116.33 2k93 h ILE 72 Ca -0.10 -2.62 0.28 0.00 -0.39 0.00 0.00 64.86 62.04 2k93 h ILE 72 Cb 1.67 2.50 -0.04 0.00 -3.07 0.00 0.00 36.82 37.88 2k93 h ILE 72 CO 0.17 0.77 0.72 -1.13 -0.69 0.00 0.00 178.15 178.00 2k93 h ASN 73 N 0.14 0.00 -0.09 1.72 -0.73 -1.47 0.50 115.58 115.66 2k93 h ASN 73 Ca -0.06 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.13 2k93 h ASN 73 Cb 1.57 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.16 2k93 h ASN 73 CO 0.15 0.00 0.51 1.23 -0.37 0.00 0.00 177.43 178.95 2k93 h GLY 74 N 0.00 0.00 0.19 1.57 0.00 -1.62 -1.04 103.07 102.17 2k93 h GLY 74 Ca 0.46 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.81 2k93 h GLY 74 CO -0.00 0.00 -0.41 0.84 0.00 0.00 0.00 176.54 176.97 2k93 h HIS 75 N 0.00 -1.14 -1.94 5.60 -0.00 -0.23 -3.43 115.15 114.01 2k93 h HIS 75 Ca 0.04 0.04 -0.61 0.00 -0.00 0.00 0.00 60.37 59.84 2k93 h HIS 75 Cb 1.05 0.50 -0.12 0.00 -0.00 0.00 0.00 27.41 28.84 2k93 h HIS 75 CO 0.00 -0.49 -0.66 1.14 -0.00 0.00 0.00 177.93 177.92 2k93 s GLN 76 N -5.92 1.92 0.00 5.26 1.03 -0.40 -5.21 119.66 116.35 2k93 s GLN 76 Ca -0.16 -1.86 0.14 0.00 0.04 0.00 0.00 55.36 53.52 2k93 s GLN 76 Cb 0.08 -1.79 0.86 0.00 0.03 0.00 0.00 33.01 32.19 2k93 s GLN 76 CO 0.64 0.14 1.28 0.00 -2.54 0.00 0.00 175.29 174.81