#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k92 n THR 2 N 0.00 1.94 -0.03 0.44 -2.24 -1.26 -3.94 114.28 109.20 2k92 n THR 2 Ca 0.00 -0.92 -0.07 0.00 -2.27 0.00 0.00 64.05 60.79 2k92 n THR 2 Cb 0.00 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.58 2k92 n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k92 n ILE 3 N -0.16 0.59 -0.02 2.28 0.00 -1.26 -4.47 119.36 116.32 2k92 n ILE 3 Ca 0.26 -0.03 0.08 0.00 0.00 0.00 0.00 62.75 63.06 2k92 n ILE 3 Cb 1.01 -1.64 0.48 0.00 0.00 0.00 0.00 39.64 39.48 2k92 n ILE 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2k92 h GLU 4 N -0.28 0.43 -0.75 9.51 4.11 -1.96 0.51 114.58 126.15 2k92 h GLU 4 Ca -0.16 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.20 2k92 h GLU 4 Cb 1.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2k92 h GLU 4 CO -0.10 0.29 0.31 1.05 0.07 0.00 0.00 179.01 180.63 2k92 h GLU 5 N 0.45 1.11 0.00 1.06 4.11 -1.83 -2.41 114.58 117.07 2k92 h GLU 5 Ca 0.20 -0.19 -0.23 0.00 0.07 0.00 0.00 59.36 59.21 2k92 h GLU 5 Cb 0.22 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2k92 h GLU 5 CO -0.05 0.89 -1.17 0.00 0.07 0.00 0.00 179.01 178.75 2k92 h ARG 6 N 1.09 0.00 -0.98 1.06 3.08 -1.35 -3.28 114.38 114.01 2k92 h ARG 6 Ca 0.25 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.40 2k92 h ARG 6 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 2k92 h ARG 6 CO -0.02 0.88 0.62 0.28 -1.07 0.00 0.00 179.97 180.66 2k92 h VAL 7 N 0.00 0.99 -0.92 2.04 2.07 0.36 0.15 116.25 120.94 2k92 h VAL 7 Ca -0.08 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.26 2k92 h VAL 7 Cb 1.83 -0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 2k92 h VAL 7 CO 0.12 0.19 0.59 0.11 0.02 0.00 0.00 177.57 178.59 2k92 h LYS 8 N 1.03 0.62 0.12 1.57 1.79 -1.50 0.03 116.57 120.22 2k92 h LYS 8 Ca 0.46 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.88 2k92 h LYS 8 Cb 0.37 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2k92 h LYS 8 CO -0.21 0.41 -0.06 -0.22 -1.08 0.00 0.00 179.45 178.29 2k92 h LYS 9 N 0.63 -0.15 -0.51 3.15 3.64 -0.87 1.46 116.57 123.92 2k92 h LYS 9 Ca 0.48 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.97 2k92 h LYS 9 Cb 0.87 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.62 2k92 h LYS 9 CO -0.23 0.08 -0.19 0.82 -2.27 0.00 0.00 179.45 177.66 2k92 h ILE 10 N -0.37 0.38 -0.01 2.00 2.04 -0.74 1.37 117.51 122.20 2k92 h ILE 10 Ca -0.02 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 2k92 h ILE 10 Cb 0.30 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2k92 h ILE 10 CO 0.03 0.00 -0.62 0.40 0.00 0.00 0.00 178.15 177.95 2k92 h ILE 11 N -0.07 1.44 0.00 -0.67 1.08 -1.06 1.43 117.51 119.66 2k92 h ILE 11 Ca 0.24 -2.12 -0.05 0.00 -0.39 0.00 0.00 64.86 62.55 2k92 h ILE 11 Cb 0.45 2.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 2k92 h ILE 11 CO -0.57 0.61 -0.23 1.23 -0.69 0.00 0.00 178.15 178.50 2k92 h GLY 12 N 1.82 0.00 0.00 5.37 0.00 0.62 -2.85 103.07 108.04 2k92 h GLY 12 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2k92 h GLY 12 CO 0.08 0.00 -1.02 -1.06 0.00 0.00 0.00 176.54 174.54 2k92 n GLN 13 N -3.50 0.41 -0.15 4.80 1.13 0.43 -0.24 117.38 120.26 2k92 n GLN 13 Ca -0.01 0.17 -0.06 0.00 -1.94 0.00 0.00 57.00 55.16 2k92 n GLN 13 Cb 0.39 -1.21 -0.05 0.00 0.11 0.00 0.00 30.24 29.49 2k92 n GLN 13 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2k92 h GLN 14 N -0.75 -0.08 -0.15 -1.09 1.08 0.18 0.28 115.11 114.59 2k92 h GLN 14 Ca -0.10 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 2k92 h GLN 14 Cb 0.89 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2k92 h GLN 14 CO -0.06 -0.05 -0.21 -0.07 -0.95 0.00 0.00 178.83 177.49 2k92 h LEU 15 N -0.08 0.25 -2.25 1.46 3.38 -1.61 -3.46 115.31 113.00 2k92 h LEU 15 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k92 h LEU 15 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k92 h LEU 15 CO -0.40 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2k92 n GLY 16 N -0.66 -0.09 3.27 0.83 0.00 1.00 -4.97 105.19 104.57 2k92 n GLY 16 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2k92 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k92 s VAL 17 N -2.31 0.10 1.14 1.61 1.01 0.67 -4.97 120.40 117.65 2k92 s VAL 17 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 2k92 s VAL 17 Cb 0.00 -1.63 0.26 0.00 0.00 0.00 0.00 36.38 35.01 2k92 s VAL 17 CO 0.00 -0.47 1.15 -0.54 0.00 0.00 0.00 175.10 175.24 2k92 s LYS 18 N -3.92 -0.72 -0.08 2.72 3.01 -1.26 -4.41 119.74 115.07 2k92 s LYS 18 Ca 0.12 -0.09 -0.16 0.00 -1.01 0.00 0.00 55.97 54.83 2k92 s LYS 18 Cb 0.04 -1.66 -0.29 0.00 -1.01 0.00 0.00 37.83 34.92 2k92 s LYS 18 CO -0.05 -3.37 0.64 -0.56 0.51 0.00 0.00 175.35 172.52 2k92 h GLN 19 N -2.34 0.28 -0.49 1.68 3.07 -1.91 -3.04 115.11 112.36 2k92 h GLN 19 Ca -0.46 -0.48 -0.02 0.00 0.09 0.00 0.00 58.65 57.78 2k92 h GLN 19 Cb 1.29 0.18 -0.02 0.00 0.08 0.00 0.00 27.48 29.00 2k92 h GLN 19 CO 0.37 1.23 0.22 0.93 0.09 0.00 0.00 178.83 181.67 2k92 h GLU 20 N -0.26 0.72 0.00 0.06 5.08 -2.02 -1.75 114.58 116.42 2k92 h GLU 20 Ca -0.28 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2k92 h GLU 20 Cb 1.79 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 2k92 h GLU 20 CO 0.09 0.62 -0.12 0.93 -1.00 0.00 0.00 179.01 179.54 2k92 h GLU 21 N 0.65 0.00 -5.95 2.33 4.39 -1.96 -3.40 114.58 110.63 2k92 h GLU 21 Ca 0.17 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.27 2k92 h GLU 21 Cb 0.16 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.72 2k92 h GLU 21 CO -0.02 0.12 0.57 0.08 -1.16 0.00 0.00 179.01 178.60 2k92 s VAL 22 N -3.98 4.71 0.07 3.13 1.01 -0.66 -4.98 120.40 119.70 2k92 s VAL 22 Ca -0.02 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.50 2k92 s VAL 22 Cb 0.12 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2k92 s VAL 22 CO 0.58 -0.28 -0.17 0.42 0.00 0.00 0.00 175.10 175.65 2k92 s THR 23 N 3.16 1.34 -1.34 3.92 -4.23 -1.26 -4.89 115.64 112.34 2k92 s THR 23 Ca 0.37 -1.26 -0.15 0.00 -1.18 0.00 0.00 61.69 59.47 2k92 s THR 23 Cb -0.14 -1.22 0.08 0.00 1.34 0.00 0.00 72.50 72.56 2k92 s THR 23 CO 0.12 -0.06 1.86 -0.46 -0.54 0.00 0.00 174.62 175.54 2k92 n ASN 24 N 1.49 4.66 0.00 3.99 0.23 -1.26 -3.07 115.26 121.30 2k92 n ASN 24 Ca -0.19 -2.92 0.00 0.00 -0.53 0.00 0.00 54.58 50.93 2k92 n ASN 24 Cb 0.54 -1.67 0.00 0.00 -2.08 0.00 0.00 39.78 36.57 2k92 n ASN 24 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k92 n ASN 25 N 6.86 0.00 -4.56 0.53 2.85 -1.26 -4.85 115.26 114.83 2k92 n ASN 25 Ca 0.47 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.50 2k92 n ASN 25 Cb 0.42 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.43 2k92 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k92 n ALA 26 N 0.00 -0.53 -2.44 5.20 0.00 -1.17 -4.85 120.51 116.71 2k92 n ALA 26 Ca 0.00 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 2k92 n ALA 26 Cb 0.00 -1.97 0.01 0.00 0.00 0.00 0.00 19.45 17.50 2k92 n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k92 n SER 27 N 1.19 7.53 -4.05 0.00 7.64 -1.26 -3.74 113.62 120.93 2k92 n SER 27 Ca 0.10 -3.50 -0.37 0.00 1.01 0.00 0.00 58.87 56.12 2k92 n SER 27 Cb 0.33 -1.24 0.05 0.00 -1.01 0.00 0.00 64.21 62.35 2k92 n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k92 n PHE 28 N 0.62 -3.00 0.00 1.43 3.01 -0.60 -0.20 117.46 118.72 2k92 n PHE 28 Ca 0.51 0.30 0.00 0.00 1.01 0.00 0.00 57.45 59.27 2k92 n PHE 28 Cb 0.26 -1.45 0.00 0.00 -0.01 0.00 0.00 39.48 38.28 2k92 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k92 n VAL 29 N -3.16 0.00 -0.07 -4.37 0.31 -1.26 -4.28 118.33 105.51 2k92 n VAL 29 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.25 2k92 n VAL 29 Cb 0.65 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.55 2k92 n VAL 29 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k92 n GLU 30 N 0.00 0.42 0.00 5.55 0.00 -0.99 -3.43 120.64 122.20 2k92 n GLU 30 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.33 2k92 n GLU 30 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.20 2k92 n GLU 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2k92 n ASP 31 N -4.17 0.00 0.00 4.31 9.92 0.73 -4.56 116.55 122.78 2k92 n ASP 31 Ca -0.11 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2k92 n ASP 31 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2k92 n ASP 31 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k92 n LEU 32 N -0.06 0.00 0.00 0.64 4.32 -1.26 -4.93 117.00 115.71 2k92 n LEU 32 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2k92 n LEU 32 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2k92 n LEU 32 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2k92 n GLY 33 N 0.00 -0.27 2.56 -0.72 0.00 -1.26 -4.88 105.19 100.62 2k92 n GLY 33 Ca 0.00 0.69 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 2k92 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k92 n ALA 34 N 0.00 0.17 -2.19 4.61 0.00 -1.22 -4.61 120.51 117.27 2k92 n ALA 34 Ca 0.00 -2.06 -0.20 0.00 0.00 0.00 0.00 53.44 51.18 2k92 n ALA 34 Cb 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.32 2k92 n ALA 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k92 n ASP 35 N 2.31 4.30 0.00 0.00 2.03 -1.26 -4.01 116.55 119.92 2k92 n ASP 35 Ca 0.19 -3.43 0.00 0.00 0.52 0.00 0.00 54.79 52.07 2k92 n ASP 35 Cb 0.55 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2k92 n ASP 35 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k92 n SER 36 N -0.67 0.00 -2.25 1.67 7.64 -1.26 -4.93 113.62 113.82 2k92 n SER 36 Ca 0.37 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.97 2k92 n SER 36 Cb 0.93 0.40 0.14 0.00 -1.01 0.00 0.00 64.21 64.67 2k92 n SER 36 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k92 n LEU 37 N -2.39 7.07 0.00 -3.43 4.32 -1.26 -4.49 117.00 116.82 2k92 n LEU 37 Ca 0.00 -3.89 0.00 0.00 -0.02 0.00 0.00 56.01 52.10 2k92 n LEU 37 Cb 0.00 -0.89 0.00 0.00 -1.62 0.00 0.00 43.42 40.91 2k92 n LEU 37 CO 0.00 1.23 0.00 -0.67 -1.22 0.00 0.00 177.39 176.73 2k92 n ASP 38 N -1.06 0.00 0.08 -1.43 4.64 -1.26 -3.86 116.55 113.65 2k92 n ASP 38 Ca 0.61 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.89 2k92 n ASP 38 Cb 1.26 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 41.26 2k92 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2k92 h THR 39 N 0.00 0.91 -1.19 5.18 1.03 -1.86 0.84 112.91 117.80 2k92 h THR 39 Ca 0.00 -0.94 0.40 0.00 -0.01 0.00 0.00 66.41 65.86 2k92 h THR 39 Cb 0.00 1.43 -0.11 0.00 -1.07 0.00 0.00 68.15 68.40 2k92 h THR 39 CO 0.00 0.20 0.78 0.52 -0.01 0.00 0.00 175.52 177.01 2k92 n VAL 40 N -4.98 -0.18 -0.08 0.00 0.31 -1.26 0.15 118.33 112.28 2k92 n VAL 40 Ca -0.08 1.45 -0.08 0.00 -0.01 0.00 0.00 64.34 65.62 2k92 n VAL 40 Cb 0.26 -2.38 -0.03 0.00 -0.91 0.00 0.00 33.84 30.78 2k92 n VAL 40 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k92 n GLU 41 N -4.25 0.50 -0.34 5.55 4.71 -1.15 -4.19 120.64 121.47 2k92 n GLU 41 Ca 0.34 0.30 0.13 0.00 -0.01 0.00 0.00 57.16 57.92 2k92 n GLU 41 Cb 1.34 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 30.54 2k92 n GLU 41 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2k92 h LEU 42 N -0.99 -0.52 -0.12 -4.62 6.46 0.22 0.21 115.31 115.95 2k92 h LEU 42 Ca 0.00 0.28 0.02 0.00 -0.12 0.00 0.00 57.88 58.06 2k92 h LEU 42 Cb 0.85 0.50 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 2k92 h LEU 42 CO 0.00 -0.35 -0.24 0.58 -0.62 0.00 0.00 178.44 177.81 2k92 h VAL 43 N 0.01 0.00 -0.54 1.05 2.07 0.12 1.32 116.25 120.27 2k92 h VAL 43 Ca 0.58 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.21 2k92 h VAL 43 Cb 1.17 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.83 2k92 h VAL 43 CO -0.93 0.00 -0.26 0.24 0.02 0.00 0.00 177.57 176.64 2k92 h MET 44 N -0.21 -0.12 0.00 1.57 2.86 -0.81 1.74 114.93 119.95 2k92 h MET 44 Ca 0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k92 h MET 44 Cb 0.28 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2k92 h MET 44 CO -0.23 -0.08 0.00 0.00 1.06 0.00 0.00 176.91 177.66 2k92 n ALA 45 N -3.06 -0.39 0.11 6.32 0.00 -0.36 0.19 120.51 123.32 2k92 n ALA 45 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 2k92 n ALA 45 Cb 0.34 0.08 0.63 0.00 0.00 0.00 0.00 19.45 20.50 2k92 n ALA 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k92 h LEU 46 N 0.00 0.00 0.01 0.00 3.38 0.20 0.37 115.31 119.27 2k92 h LEU 46 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k92 h LEU 46 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k92 h LEU 46 CO 0.00 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.19 2k92 h GLU 47 N 0.00 -0.01 -0.89 1.13 4.39 0.38 -3.21 114.58 116.36 2k92 h GLU 47 Ca 0.19 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.94 2k92 h GLU 47 Cb 1.44 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.03 2k92 h GLU 47 CO -0.00 0.80 0.56 0.93 -1.16 0.00 0.00 179.01 180.14 2k92 h GLU 48 N -0.91 1.01 -0.75 2.33 4.39 0.61 0.36 114.58 121.61 2k92 h GLU 48 Ca -0.00 -0.06 0.14 0.00 0.34 0.00 0.00 59.36 59.78 2k92 h GLU 48 Cb 0.82 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2k92 h GLU 48 CO 0.00 0.67 0.50 1.49 -1.16 0.00 0.00 179.01 180.51 2k92 h GLU 49 N 1.04 0.44 0.00 2.33 4.57 -1.02 -3.42 114.58 118.51 2k92 h GLU 49 Ca 0.38 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2k92 h GLU 49 Cb 0.13 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2k92 h GLU 49 CO -0.16 0.29 0.00 1.19 -1.18 0.00 0.00 179.01 179.15 2k92 n PHE 50 N -4.48 0.00 0.00 0.92 3.01 -0.16 -5.11 117.46 111.63 2k92 n PHE 50 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 2k92 n PHE 50 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2k92 n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2k92 n ASP 51 N -0.66 0.00 -3.17 4.37 -0.08 0.11 -4.97 116.55 112.15 2k92 n ASP 51 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2k92 n ASP 51 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 2k92 n ASP 51 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2k92 s THR 52 N 0.00 -0.99 -0.77 5.18 -1.32 -1.26 -5.02 115.64 111.46 2k92 s THR 52 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 2k92 s THR 52 Cb 0.00 -0.61 -0.23 0.00 -1.51 0.00 0.00 72.50 70.15 2k92 s THR 52 CO 0.00 0.00 1.90 -1.84 -2.21 0.00 0.00 174.62 172.47 2k92 n GLU 53 N 5.03 0.65 -1.48 7.08 0.28 -1.26 -4.51 120.64 126.42 2k92 n GLU 53 Ca 0.07 -1.72 -0.46 0.00 -0.16 0.00 0.00 57.16 54.89 2k92 n GLU 53 Cb 0.55 -3.35 -0.07 0.00 1.43 0.00 0.00 31.44 30.01 2k92 n GLU 53 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 2k92 n ILE 54 N 7.74 0.14 -2.53 3.84 0.13 -1.26 -4.89 119.36 122.53 2k92 n ILE 54 Ca 0.45 -0.34 -0.37 0.00 -1.10 0.00 0.00 62.75 61.38 2k92 n ILE 54 Cb 0.44 -1.81 -0.04 0.00 -0.84 0.00 0.00 39.64 37.39 2k92 n ILE 54 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 2k92 s PRO 55 N 6.87 4.23 0.22 9.51 0.04 -1.26 -4.71 135.00 149.89 2k92 s PRO 55 Ca 1.10 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 63.55 2k92 s PRO 55 Cb -0.73 -2.64 0.25 0.00 0.04 0.00 0.00 34.50 31.42 2k92 s PRO 55 CO 0.44 -0.10 1.60 0.38 0.04 0.00 0.00 177.00 179.36 2k92 h ASP 56 N 2.69 -0.83 -1.13 6.66 2.03 -1.95 1.71 116.42 125.60 2k92 h ASP 56 Ca -0.48 0.22 0.41 0.00 -0.73 0.00 0.00 57.03 56.45 2k92 h ASP 56 Cb 1.22 0.49 -0.15 0.00 -0.83 0.00 0.00 39.33 40.06 2k92 h ASP 56 CO 0.63 -0.26 0.67 -0.33 -1.03 0.00 0.00 179.24 178.92 2k92 h GLU 57 N -0.04 0.10 0.00 4.15 4.39 -2.00 1.31 114.58 122.48 2k92 h GLU 57 Ca 0.32 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.92 2k92 h GLU 57 Cb 0.54 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2k92 h GLU 57 CO -0.74 0.06 -1.82 0.39 -1.16 0.00 0.00 179.01 175.74 2k92 n GLU 58 N -4.99 0.65 0.30 2.33 1.02 0.27 -4.01 120.64 116.21 2k92 n GLU 58 Ca 0.37 -0.05 0.19 0.00 -0.02 0.00 0.00 57.16 57.64 2k92 n GLU 58 Cb 1.29 -1.61 0.93 0.00 -0.02 0.00 0.00 31.44 32.03 2k92 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k92 h ALA 59 N 1.74 1.04 0.06 0.62 0.00 1.18 -2.32 119.26 121.58 2k92 h ALA 59 Ca -0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2k92 h ALA 59 Cb 1.31 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.11 2k92 h ALA 59 CO 0.01 0.02 -0.58 1.49 0.00 0.00 0.00 179.25 180.19 2k92 h GLU 60 N 0.00 0.29 0.00 0.00 4.81 -0.84 -3.11 114.58 115.73 2k92 h GLU 60 Ca -0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2k92 h GLU 60 Cb 0.26 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2k92 h GLU 60 CO 0.00 1.12 0.00 0.87 -0.73 0.00 0.00 179.01 180.28 2k92 h LYS 61 N -0.36 0.00 -0.55 1.92 1.79 -1.59 0.32 116.57 118.10 2k92 h LYS 61 Ca -0.09 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.07 2k92 h LYS 61 Cb 1.37 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.84 2k92 h LYS 61 CO 0.11 0.00 0.07 0.44 -1.08 0.00 0.00 179.45 179.00 2k92 n ILE 62 N -2.39 2.76 -0.49 1.86 -5.35 -1.09 -4.72 119.36 109.95 2k92 n ILE 62 Ca -0.02 -2.71 0.43 0.00 -0.27 0.00 0.00 62.75 60.18 2k92 n ILE 62 Cb 0.04 -0.46 0.70 0.00 -1.74 0.00 0.00 39.64 38.18 2k92 n ILE 62 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k92 h THR 63 N 1.08 0.06 -1.95 7.28 1.03 -0.36 -3.38 112.91 116.66 2k92 h THR 63 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 2k92 h THR 63 Cb 1.84 0.07 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 2k92 h THR 63 CO 0.64 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 176.50 2k92 n THR 64 N -3.74 0.00 -0.08 0.00 -2.24 -1.26 -1.55 114.28 105.41 2k92 n THR 64 Ca 0.35 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.98 2k92 n THR 64 Cb 1.75 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 2k92 n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k92 n VAL 65 N 0.00 0.85 -0.17 2.28 0.31 -1.25 -4.47 118.33 115.89 2k92 n VAL 65 Ca 0.00 -0.25 -0.06 0.00 -0.01 0.00 0.00 64.34 64.02 2k92 n VAL 65 Cb 0.00 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 2k92 n VAL 65 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2k92 h GLN 66 N -0.36 -0.18 -0.69 5.55 5.75 -1.88 0.14 115.11 123.44 2k92 h GLN 66 Ca -0.37 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.28 2k92 h GLN 66 Cb 1.40 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 29.87 2k92 h GLN 66 CO -0.17 -0.12 -0.13 0.00 -2.65 0.00 0.00 178.83 175.76 2k92 h ALA 67 N 0.94 0.52 -1.17 3.38 0.00 -1.88 1.53 119.26 122.58 2k92 h ALA 67 Ca 0.21 0.25 0.34 0.00 0.00 0.00 0.00 54.91 55.72 2k92 h ALA 67 Cb 0.54 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2k92 h ALA 67 CO -0.62 -0.42 0.96 0.00 0.00 0.00 0.00 179.25 179.17 2k92 h ALA 68 N 1.67 3.06 0.00 0.00 0.00 -0.93 1.09 119.26 124.15 2k92 h ALA 68 Ca 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2k92 h ALA 68 Cb 0.54 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k92 h ALA 68 CO -0.68 -1.56 -0.38 0.82 0.00 0.00 0.00 179.25 177.45 2k92 h ILE 69 N 0.00 0.14 -0.87 0.00 2.04 0.23 -2.66 117.51 116.39 2k92 h ILE 69 Ca 0.55 -1.14 0.25 0.00 1.00 0.00 0.00 64.86 65.52 2k92 h ILE 69 Cb 2.47 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 2k92 h ILE 69 CO -0.01 0.05 0.74 0.44 0.00 0.00 0.00 178.15 179.37 2k92 h ASP 70 N -1.00 0.00 0.47 1.72 3.32 0.92 0.95 116.42 122.80 2k92 h ASP 70 Ca -0.03 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.72 2k92 h ASP 70 Cb 0.42 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.98 2k92 h ASP 70 CO -0.02 0.00 -1.41 0.22 -1.72 0.00 0.00 179.24 176.31 2k92 h TYR 71 N 0.00 0.61 0.00 4.55 3.20 0.10 -2.57 116.97 122.86 2k92 h TYR 71 Ca 0.42 -0.45 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2k92 h TYR 71 Cb 1.88 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.12 2k92 h TYR 71 CO 0.00 1.40 -0.08 0.82 -1.64 0.00 0.00 178.16 178.66 2k92 h ILE 72 N 0.09 0.18 0.00 1.81 1.08 0.10 -2.62 117.51 118.15 2k92 h ILE 72 Ca -0.21 -0.85 -0.20 0.00 -0.39 0.00 0.00 64.86 63.22 2k92 h ILE 72 Cb 2.04 1.72 -0.03 0.00 -3.07 0.00 0.00 36.82 37.48 2k92 h ILE 72 CO 0.21 0.08 -1.17 0.78 -0.69 0.00 0.00 178.15 177.35 2k92 h ASN 73 N 0.00 0.00 0.12 1.72 2.35 -0.24 -3.22 115.58 116.31 2k92 h ASN 73 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k92 h ASN 73 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2k92 h ASN 73 CO 0.01 0.80 0.00 0.61 -1.65 0.00 0.00 177.43 177.20 2k92 n GLY 74 N 1.39 -0.83 2.09 2.83 0.00 -0.97 -2.70 105.19 106.99 2k92 n GLY 74 Ca -0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2k92 n GLY 74 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k92 n HIS 75 N -1.08 1.62 -1.45 1.61 8.25 -1.20 -4.95 115.22 118.03 2k92 n HIS 75 Ca 0.16 -1.94 -0.41 0.00 -0.26 0.00 0.00 57.72 55.28 2k92 n HIS 75 Cb 0.11 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 2k92 n HIS 75 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2k92 n GLN 76 N -0.60 2.45 0.00 -0.41 1.13 -1.10 -5.03 117.38 113.81 2k92 n GLN 76 Ca 0.24 -2.25 0.13 0.00 -1.94 0.00 0.00 57.00 53.18 2k92 n GLN 76 Cb 0.89 -3.08 0.29 0.00 0.11 0.00 0.00 30.24 28.45 2k92 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62