#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 0.24 -0.13 0.44 -2.24 -1.26 -3.68 114.28 107.66 2k92 n THR 2 Ca 0.00 -0.22 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 2k92 n THR 2 Cb 0.00 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.01 1.52 -0.11 2.28 0.00 -1.26 -4.15 119.36 117.64 2k92 n ILE 3 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 62.75 62.49 2k92 n ILE 3 Cb 0.16 -1.98 0.02 0.00 0.00 0.00 0.00 39.64 37.84 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 -1.00 0.13 -0.99 9.51 4.11 -1.95 0.73 114.58 125.12 2k92 h GLU 4 Ca -0.55 -0.01 0.22 0.00 0.07 0.00 0.00 59.36 59.09 2k92 h GLU 4 Cb 1.47 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.59 2k92 h GLU 4 CO -0.33 0.09 0.62 1.05 0.07 0.00 0.00 179.01 180.51 2k92 h GLU 5 N 0.14 0.58 0.03 1.06 4.11 -1.79 0.30 114.58 119.00 2k92 h GLU 5 Ca 0.18 -0.03 -0.24 0.00 0.07 0.00 0.00 59.36 59.33 2k92 h GLU 5 Cb 0.23 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2k92 h GLU 5 CO -0.27 0.38 -1.21 0.00 0.07 0.00 0.00 179.01 177.98 2k92 h ARG 6 N 0.59 0.07 -0.78 1.06 3.08 -1.22 -3.26 114.38 113.93 2k92 h ARG 6 Ca 0.57 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.59 2k92 h ARG 6 Cb 1.12 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 2k92 h ARG 6 CO -0.33 0.97 0.51 0.28 -1.07 0.00 0.00 179.97 180.32 2k92 h VAL 7 N 0.02 0.98 -0.63 2.04 2.07 0.41 0.23 116.25 121.36 2k92 h VAL 7 Ca -0.10 -0.26 0.14 0.00 0.82 0.00 0.00 66.70 67.31 2k92 h VAL 7 Cb 1.87 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2k92 h VAL 7 CO 0.14 0.14 0.44 0.11 0.02 0.00 0.00 177.57 178.41 2k92 h LYS 8 N 0.75 0.24 0.13 1.57 6.56 -1.24 -0.42 116.57 124.15 2k92 h LYS 8 Ca 0.35 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.92 2k92 h LYS 8 Cb 0.38 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2k92 h LYS 8 CO -0.13 0.16 -0.06 -0.22 -2.06 0.00 0.00 179.45 177.14 2k92 h LYS 9 N 0.25 -0.17 -0.29 3.15 3.64 -0.71 1.63 116.57 124.07 2k92 h LYS 9 Ca 0.30 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 2k92 h LYS 9 Cb 0.86 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.64 2k92 h LYS 9 CO -0.06 0.15 -0.31 0.82 -2.27 0.00 0.00 179.45 177.78 2k92 h ILE 10 N -0.50 0.28 -0.00 2.00 2.04 -0.98 0.51 117.51 120.86 2k92 h ILE 10 Ca -0.02 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 2k92 h ILE 10 Cb 0.40 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2k92 h ILE 10 CO 0.03 0.00 -0.52 0.40 0.00 0.00 0.00 178.15 178.06 2k92 h ILE 11 N -0.29 1.38 0.00 -0.67 1.08 -1.25 1.46 117.51 119.21 2k92 h ILE 11 Ca 0.14 -1.79 -0.03 0.00 -0.39 0.00 0.00 64.86 62.79 2k92 h ILE 11 Cb 0.52 1.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 2k92 h ILE 11 CO -0.45 0.51 -0.12 1.23 -0.69 0.00 0.00 178.15 178.63 2k92 h GLY 12 N 1.57 0.00 0.00 5.37 0.00 0.53 -3.06 103.07 107.48 2k92 h GLY 12 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2k92 h GLY 12 CO 0.07 0.00 -0.44 -1.06 0.00 0.00 0.00 176.54 175.11 2k92 n GLN 13 N -3.70 0.23 0.00 4.80 1.13 0.15 -2.36 117.38 117.63 2k92 n GLN 13 Ca -0.02 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2k92 n GLN 13 Cb 0.24 -0.89 0.00 0.00 0.11 0.00 0.00 30.24 29.70 2k92 n GLN 13 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2k92 n GLN 14 N -3.84 0.00 -0.20 -1.09 1.13 0.49 -1.55 117.38 112.32 2k92 n GLN 14 Ca -0.06 0.60 -0.06 0.00 -1.94 0.00 0.00 57.00 55.55 2k92 n GLN 14 Cb 0.23 -1.12 -0.00 0.00 0.11 0.00 0.00 30.24 29.46 2k92 n GLN 14 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2k92 h LEU 15 N 0.00 -1.20 0.00 1.08 3.38 -1.54 -3.43 115.31 113.60 2k92 h LEU 15 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k92 h LEU 15 Cb 0.00 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k92 h LEU 15 CO 0.00 -0.31 0.00 0.61 0.09 0.00 0.00 178.44 178.83 2k92 n GLY 16 N -1.43 0.80 0.00 0.83 0.00 -0.59 -4.65 105.19 100.15 2k92 n GLY 16 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2k92 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k92 n VAL 17 N 0.00 0.00 -2.01 1.61 0.24 -0.99 -5.01 118.33 112.16 2k92 n VAL 17 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 2k92 n VAL 17 Cb 0.00 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 32.51 2k92 n VAL 17 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k92 n LYS 18 N 0.00 -0.64 -3.09 7.34 4.01 -1.26 -4.63 118.16 119.89 2k92 n LYS 18 Ca 0.00 -1.79 -0.27 0.00 -0.51 0.00 0.00 58.31 55.74 2k92 n LYS 18 Cb 0.00 -0.87 -0.05 0.00 -0.51 0.00 0.00 35.03 33.60 2k92 n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k92 n GLN 19 N -2.93 3.02 0.00 1.97 0.00 -1.26 -4.58 117.38 113.60 2k92 n GLN 19 Ca 0.13 -4.80 0.00 0.00 0.00 0.00 0.00 57.00 52.32 2k92 n GLN 19 Cb 0.46 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.45 2k92 n GLN 19 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2k92 n GLU 20 N 0.09 0.00 0.00 2.61 0.28 -1.26 -4.92 120.64 117.45 2k92 n GLU 20 Ca 0.31 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.38 2k92 n GLU 20 Cb 0.40 0.00 0.33 0.00 1.43 0.00 0.00 31.44 33.59 2k92 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2k92 n GLU 21 N -1.97 0.06 -2.41 3.44 -0.58 -1.26 -4.71 120.64 113.20 2k92 n GLU 21 Ca 0.00 0.22 -0.41 0.00 -0.42 0.00 0.00 57.16 56.55 2k92 n GLU 21 Cb 0.00 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 2k92 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2k92 s VAL 22 N -2.88 3.62 0.19 2.62 1.01 -1.26 -5.03 120.40 118.66 2k92 s VAL 22 Ca 0.09 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.48 2k92 s VAL 22 Cb 0.10 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2k92 s VAL 22 CO 0.25 0.24 0.05 0.35 0.00 0.00 0.00 175.10 176.00 2k92 n THR 23 N 2.30 0.00 -0.10 3.92 -2.24 -1.26 -5.08 114.28 111.81 2k92 n THR 23 Ca 0.03 -1.06 -0.23 0.00 -2.27 0.00 0.00 64.05 60.52 2k92 n THR 23 Cb 0.45 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.91 2k92 n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k92 n ASN 24 N -1.69 1.89 -2.44 3.42 6.94 -1.26 -4.27 115.26 117.85 2k92 n ASN 24 Ca -0.04 0.39 -0.26 0.00 -0.02 0.00 0.00 54.58 54.65 2k92 n ASN 24 Cb 0.27 -0.94 -0.04 0.00 -2.36 0.00 0.00 39.78 36.71 2k92 n ASN 24 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k92 n ASN 25 N -4.35 6.51 -4.16 0.53 3.02 -1.26 -1.06 115.26 114.50 2k92 n ASN 25 Ca -0.36 -3.22 -0.37 0.00 -0.03 0.00 0.00 54.58 50.60 2k92 n ASN 25 Cb 0.73 -1.21 -0.11 0.00 -0.61 0.00 0.00 39.78 38.59 2k92 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k92 s ALA 26 N -1.81 3.19 -1.12 5.41 0.00 -1.26 -5.00 121.76 121.17 2k92 s ALA 26 Ca 0.56 -2.43 -0.18 0.00 0.00 0.00 0.00 51.96 49.91 2k92 s ALA 26 Cb 0.37 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 2k92 s ALA 26 CO -0.20 -1.76 2.06 0.43 0.00 0.00 0.00 175.76 176.29 2k92 n SER 27 N 4.70 3.25 -0.24 0.00 7.64 -1.26 -3.36 113.62 124.34 2k92 n SER 27 Ca -0.05 -2.76 0.05 0.00 1.01 0.00 0.00 58.87 57.12 2k92 n SER 27 Cb 0.42 -1.41 0.11 0.00 -1.01 0.00 0.00 64.21 62.32 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 7.05 0.28 -0.15 1.43 3.01 -1.25 0.96 117.46 128.79 2k92 n PHE 28 Ca 0.51 0.82 -0.04 0.00 1.01 0.00 0.00 57.45 59.75 2k92 n PHE 28 Cb 0.40 -0.91 -0.04 0.00 -0.01 0.00 0.00 39.48 38.92 2k92 n PHE 28 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 2k92 n VAL 29 N -5.06 -0.24 -0.07 -4.37 0.24 -1.25 0.13 118.33 107.72 2k92 n VAL 29 Ca 0.12 1.50 -0.04 0.00 -2.04 0.00 0.00 64.34 63.88 2k92 n VAL 29 Cb 0.37 -1.92 -0.01 0.00 -1.47 0.00 0.00 33.84 30.81 2k92 n VAL 29 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2k92 h GLU 30 N 0.00 0.00 -0.92 7.34 4.22 -0.76 -3.28 114.58 121.18 2k92 h GLU 30 Ca 0.06 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.59 2k92 h GLU 30 Cb 0.14 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.28 2k92 h GLU 30 CO -0.33 0.00 -0.52 -0.25 -2.18 0.00 0.00 179.01 175.73 2k92 n ASP 31 N -4.57 -0.93 0.00 1.04 10.43 0.27 -4.44 116.55 118.35 2k92 n ASP 31 Ca -0.06 1.63 0.00 0.00 2.57 0.00 0.00 54.79 58.93 2k92 n ASP 31 Cb 0.22 -0.23 0.00 0.00 1.84 0.00 0.00 41.12 42.96 2k92 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2k92 n LEU 32 N -5.17 0.00 0.00 0.64 4.32 0.25 -4.95 117.00 112.08 2k92 n LEU 32 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2k92 n LEU 32 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2k92 n LEU 32 CO -0.14 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.64 2k92 n GLY 33 N 4.66 -0.88 2.11 -0.72 0.00 0.35 -4.82 105.19 105.90 2k92 n GLY 33 Ca 0.00 0.84 -0.17 0.00 0.00 0.00 0.00 46.02 46.69 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 6.51 -1.64 4.61 0.00 -1.25 -4.48 120.51 124.25 2k92 n ALA 34 Ca 0.00 -2.22 -0.36 0.00 0.00 0.00 0.00 53.44 50.86 2k92 n ALA 34 Cb 0.00 -2.40 0.06 0.00 0.00 0.00 0.00 19.45 17.11 2k92 n ALA 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k92 n ASP 35 N 2.34 7.41 0.00 0.00 9.92 -1.26 -4.47 116.55 130.49 2k92 n ASP 35 Ca 0.48 -3.81 0.00 0.00 -0.53 0.00 0.00 54.79 50.93 2k92 n ASP 35 Cb 0.79 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 2k92 n ASP 35 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2k92 n SER 36 N -0.74 0.00 -4.22 -2.24 7.64 -1.26 -4.97 113.62 107.83 2k92 n SER 36 Ca 0.58 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.10 2k92 n SER 36 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 2k92 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k92 n LEU 37 N 0.00 -0.79 0.00 -3.43 -0.00 -1.26 -4.72 117.00 106.79 2k92 n LEU 37 Ca 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 56.01 54.87 2k92 n LEU 37 Cb 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 41.97 2k92 n LEU 37 CO 0.00 0.21 0.02 -0.67 -0.00 0.00 0.00 177.39 176.94 2k92 n ASP 38 N -2.31 0.00 0.07 1.45 4.64 -1.26 -3.36 116.55 115.78 2k92 n ASP 38 Ca -0.03 0.03 -0.11 0.00 -1.38 0.00 0.00 54.79 53.29 2k92 n ASP 38 Cb 0.49 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.49 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 0.88 -0.30 5.18 1.03 -1.88 -1.54 112.91 116.27 2k92 h THR 39 Ca 0.00 -1.04 0.03 0.00 -0.01 0.00 0.00 66.41 65.39 2k92 h THR 39 Cb 0.00 1.43 -0.04 0.00 -1.07 0.00 0.00 68.15 68.47 2k92 h THR 39 CO 0.00 0.21 -0.18 0.52 -0.01 0.00 0.00 175.52 176.06 2k92 n VAL 40 N -4.95 -0.21 0.49 0.00 0.31 -1.26 0.20 118.33 112.91 2k92 n VAL 40 Ca -0.08 1.31 -0.20 0.00 -0.01 0.00 0.00 64.34 65.36 2k92 n VAL 40 Cb 0.27 -1.67 -0.10 0.00 -0.91 0.00 0.00 33.84 31.43 2k92 n VAL 40 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k92 h GLU 41 N 0.00 -1.19 -0.92 5.55 3.07 -1.68 -2.76 114.58 116.65 2k92 h GLU 41 Ca 0.05 0.08 0.23 0.00 -0.50 0.00 0.00 59.36 59.22 2k92 h GLU 41 Cb 0.12 0.27 -0.17 0.00 -0.84 0.00 0.00 28.75 28.13 2k92 h GLU 41 CO -0.28 -0.79 -0.06 -0.11 -1.40 0.00 0.00 179.01 176.37 2k92 n LEU 42 N -5.61 -0.18 0.00 1.33 0.00 0.02 -0.98 117.00 111.58 2k92 n LEU 42 Ca -0.16 1.57 0.00 0.00 0.00 0.00 0.00 56.01 57.42 2k92 n LEU 42 Cb 0.49 -0.54 0.00 0.00 0.00 0.00 0.00 43.42 43.37 2k92 n LEU 42 CO 0.39 -1.57 0.38 0.52 0.00 0.00 0.00 177.39 177.11 2k92 n VAL 43 N -5.40 0.00 -0.32 1.96 0.31 0.53 0.14 118.33 115.54 2k92 n VAL 43 Ca 0.20 1.26 -0.06 0.00 -0.01 0.00 0.00 64.34 65.72 2k92 n VAL 43 Cb 0.63 -1.94 -0.04 0.00 -0.91 0.00 0.00 33.84 31.58 2k92 n VAL 43 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2k92 n MET 44 N -1.74 -0.29 0.00 5.55 2.81 -0.15 0.30 117.12 123.60 2k92 n MET 44 Ca 0.00 1.22 0.00 0.00 -1.81 0.00 0.00 57.70 57.11 2k92 n MET 44 Cb 0.00 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 2k92 n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k92 n ALA 45 N -3.47 -0.23 -0.16 3.04 0.00 -0.69 0.13 120.51 119.13 2k92 n ALA 45 Ca 0.04 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.76 2k92 n ALA 45 Cb 0.25 0.10 0.60 0.00 0.00 0.00 0.00 19.45 20.40 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 0.18 0.00 3.38 0.21 0.49 115.31 119.57 2k92 h LEU 46 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 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 -0.09 -0.33 0.09 0.00 0.00 178.44 178.11 2k92 h GLU 47 N 0.00 -0.23 -0.96 1.13 4.39 0.59 -3.21 114.58 116.29 2k92 h GLU 47 Ca 0.44 0.02 0.26 0.00 0.34 0.00 0.00 59.36 60.41 2k92 h GLU 47 Cb 2.34 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 30.99 2k92 h GLU 47 CO -0.00 0.15 0.67 0.93 -1.16 0.00 0.00 179.01 179.59 2k92 h GLU 48 N -0.93 0.16 0.00 2.33 4.39 0.60 1.88 114.58 123.01 2k92 h GLU 48 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2k92 h GLU 48 Cb 0.49 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2k92 h GLU 48 CO 0.04 0.11 0.00 -1.91 -1.16 0.00 0.00 179.01 176.09 2k92 n GLU 49 N -4.38 0.00 -1.95 2.33 0.00 -0.57 -4.12 120.64 111.95 2k92 n GLU 49 Ca 0.21 0.63 -0.01 0.00 0.00 0.00 0.00 57.16 57.99 2k92 n GLU 49 Cb 0.92 -1.23 0.06 0.00 0.00 0.00 0.00 31.44 31.18 2k92 n GLU 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2k92 n PHE 50 N -1.78 0.81 -2.98 4.31 3.72 -1.04 -5.04 117.46 115.46 2k92 n PHE 50 Ca 0.00 -1.45 -0.07 0.00 -0.05 0.00 0.00 57.45 55.88 2k92 n PHE 50 Cb 0.00 -0.22 0.01 0.00 -0.94 0.00 0.00 39.48 38.33 2k92 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k92 n ASP 51 N -0.26 -7.29 -3.25 4.37 2.03 0.64 -4.78 116.55 108.00 2k92 n ASP 51 Ca 0.13 0.76 -0.04 0.00 0.52 0.00 0.00 54.79 56.15 2k92 n ASP 51 Cb 0.94 -3.85 -0.03 0.00 -0.72 0.00 0.00 41.12 37.46 2k92 n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2k92 s THR 52 N -1.65 -0.78 0.57 5.18 2.01 -1.17 -4.96 115.64 114.84 2k92 s THR 52 Ca 0.11 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 2k92 s THR 52 Cb -0.02 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 2k92 s THR 52 CO 0.59 -0.19 1.30 -1.83 -0.69 0.00 0.00 174.62 173.80 2k92 s GLU 53 N 2.10 3.03 -0.35 4.92 1.03 -1.26 -4.09 118.70 124.09 2k92 s GLU 53 Ca 0.14 2.08 -0.00 0.00 0.03 0.00 0.00 54.97 57.22 2k92 s GLU 53 Cb -0.09 -2.12 0.11 0.00 -0.80 0.00 0.00 34.13 31.23 2k92 s GLU 53 CO -0.15 -1.23 0.15 -1.50 -1.33 0.00 0.00 175.26 171.20 2k92 s ILE 54 N -1.39 0.86 0.40 1.83 1.10 -1.26 -5.06 121.20 117.68 2k92 s ILE 54 Ca 0.74 -1.70 -0.24 0.00 -0.51 0.00 0.00 60.65 58.94 2k92 s ILE 54 Cb -0.37 -1.64 -0.09 0.00 0.15 0.00 0.00 42.46 40.51 2k92 s ILE 54 CO 0.42 -0.78 1.06 -2.16 -2.11 0.00 0.00 174.94 171.37 2k92 s PRO 55 N 1.25 4.17 0.23 3.50 0.04 -1.26 -4.59 135.00 138.33 2k92 s PRO 55 Ca 0.13 1.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2k92 s PRO 55 Cb -0.20 -2.56 0.27 0.00 0.04 0.00 0.00 34.50 32.05 2k92 s PRO 55 CO -0.16 -0.14 1.45 -0.40 0.04 0.00 0.00 177.00 177.79 2k92 n ASP 56 N -0.04 -0.54 -0.30 6.66 5.75 -1.26 0.21 116.55 127.04 2k92 n ASP 56 Ca 0.05 1.62 0.23 0.00 -0.01 0.00 0.00 54.79 56.68 2k92 n ASP 56 Cb 0.49 -0.40 0.44 0.00 -1.03 0.00 0.00 41.12 40.62 2k92 n ASP 56 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k92 n GLU 57 N -5.41 -0.06 -0.02 0.11 4.07 -1.26 0.16 120.64 118.23 2k92 n GLU 57 Ca 0.11 1.28 0.06 0.00 -0.06 0.00 0.00 57.16 58.54 2k92 n GLU 57 Cb 0.40 -2.20 -0.15 0.00 -0.06 0.00 0.00 31.44 29.43 2k92 n GLU 57 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2k92 n GLU 58 N -5.13 0.66 0.23 5.31 2.13 0.52 -4.12 120.64 120.23 2k92 n GLU 58 Ca 0.30 -0.11 0.08 0.00 0.66 0.00 0.00 57.16 58.09 2k92 n GLU 58 Cb 1.00 -1.56 0.54 0.00 0.27 0.00 0.00 31.44 31.69 2k92 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k92 h ALA 59 N 1.75 1.26 0.00 4.31 0.00 1.24 -0.95 119.26 126.86 2k92 h ALA 59 Ca -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k92 h ALA 59 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k92 h ALA 59 CO 0.01 0.29 0.00 -1.91 0.00 0.00 0.00 179.25 177.64 2k92 n GLU 60 N -3.75 0.19 0.00 0.00 0.00 0.32 -1.23 120.64 116.17 2k92 n GLU 60 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 57.16 57.38 2k92 n GLU 60 Cb 0.34 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.23 2k92 n GLU 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k92 n LYS 61 N -1.33 1.52 -0.39 5.31 4.76 -0.37 -4.15 118.16 123.51 2k92 n LYS 61 Ca 0.07 -0.48 0.08 0.00 -2.87 0.00 0.00 58.31 55.11 2k92 n LYS 61 Cb 0.14 -1.31 0.24 0.00 -1.84 0.00 0.00 35.03 32.27 2k92 n LYS 61 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2k92 n ILE 62 N -0.67 1.74 -0.43 -0.18 -5.35 -0.37 -4.67 119.36 109.43 2k92 n ILE 62 Ca 0.05 -1.41 0.35 0.00 -0.27 0.00 0.00 62.75 61.48 2k92 n ILE 62 Cb 0.32 0.10 0.57 0.00 -1.74 0.00 0.00 39.64 38.89 2k92 n ILE 62 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2k92 n THR 63 N 0.22 -0.14 -3.66 7.28 -2.24 -1.15 -4.15 114.28 110.44 2k92 n THR 63 Ca 0.19 1.34 -0.27 0.00 -2.27 0.00 0.00 64.05 63.04 2k92 n THR 63 Cb 0.73 -2.21 -0.03 0.00 -2.10 0.00 0.00 70.33 66.71 2k92 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2k92 s THR 64 N -4.76 5.19 0.20 4.28 -4.23 -1.26 -3.82 115.64 111.24 2k92 s THR 64 Ca -0.05 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.07 2k92 s THR 64 Cb 0.23 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.38 2k92 s THR 64 CO 0.67 -0.19 1.63 0.58 -0.54 0.00 0.00 174.62 176.77 2k92 h VAL 65 N 1.52 1.27 -0.04 2.29 2.07 -1.69 -3.07 116.25 118.60 2k92 h VAL 65 Ca -0.48 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 65.80 2k92 h VAL 65 Cb 1.19 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2k92 h VAL 65 CO 0.68 0.44 -0.26 -0.61 0.02 0.00 0.00 177.57 177.84 2k92 h GLN 66 N 0.77 -0.36 -0.91 1.57 4.15 -1.36 -0.49 115.11 118.48 2k92 h GLN 66 Ca 0.12 0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.79 2k92 h GLN 66 Cb 0.69 0.08 -0.13 0.00 0.21 0.00 0.00 27.48 28.33 2k92 h GLN 66 CO 0.05 -0.24 0.40 0.00 -1.93 0.00 0.00 178.83 177.11 2k92 h ALA 67 N 0.47 1.48 -0.48 3.38 0.00 -1.81 1.57 119.26 123.87 2k92 h ALA 67 Ca 0.07 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2k92 h ALA 67 Cb 0.48 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2k92 h ALA 67 CO -0.26 -0.37 0.32 0.00 0.00 0.00 0.00 179.25 178.94 2k92 h ALA 68 N 1.73 1.73 0.30 0.00 0.00 -1.05 1.21 119.26 123.17 2k92 h ALA 68 Ca 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2k92 h ALA 68 Cb 1.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k92 h ALA 68 CO -0.55 0.23 -0.14 0.82 0.00 0.00 0.00 179.25 179.61 2k92 h ILE 69 N 0.58 0.35 0.00 0.00 2.04 0.29 -0.70 117.51 120.07 2k92 h ILE 69 Ca 0.18 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2k92 h ILE 69 Cb 0.03 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2k92 h ILE 69 CO -0.04 0.09 0.00 -0.78 0.00 0.00 0.00 178.15 177.41 2k92 h ASP 70 N -1.02 0.00 0.06 1.72 1.82 -0.37 -1.28 116.42 117.35 2k92 h ASP 70 Ca -0.04 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.47 2k92 h ASP 70 Cb 0.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.46 2k92 h ASP 70 CO 0.07 0.00 -0.63 0.22 -1.61 0.00 0.00 179.24 177.29 2k92 h TYR 71 N 0.00 0.25 0.00 0.28 3.20 0.16 0.15 116.97 121.01 2k92 h TYR 71 Ca 0.00 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 2k92 h TYR 71 Cb 0.12 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2k92 h TYR 71 CO 0.00 1.24 -0.08 0.82 -1.64 0.00 0.00 178.16 178.50 2k92 h ILE 72 N -0.69 0.26 0.01 1.81 1.08 -0.43 -2.06 117.51 117.50 2k92 h ILE 72 Ca -0.13 -0.59 -0.30 0.00 -0.39 0.00 0.00 64.86 63.45 2k92 h ILE 72 Cb 1.36 1.46 -0.05 0.00 -3.07 0.00 0.00 36.82 36.53 2k92 h ILE 72 CO 0.03 0.08 -1.76 0.59 -0.69 0.00 0.00 178.15 176.40 2k92 n ASN 73 N -3.29 0.98 -0.54 1.72 3.02 -0.55 -2.60 115.26 114.00 2k92 n ASN 73 Ca -0.01 0.38 0.03 0.00 -0.03 0.00 0.00 54.58 54.95 2k92 n ASN 73 Cb 0.29 -0.12 0.09 0.00 -0.61 0.00 0.00 39.78 39.43 2k92 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k92 n GLY 74 N 1.61 0.61 1.29 7.41 0.00 0.04 -4.16 105.19 112.00 2k92 n GLY 74 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2k92 n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k92 n HIS 75 N 0.11 -0.50 0.00 1.61 -0.00 -0.83 -4.99 115.22 110.61 2k92 n HIS 75 Ca 0.07 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.34 2k92 n HIS 75 Cb 0.28 0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 2k92 n HIS 75 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2k92 n GLN 76 N -3.20 0.00 0.00 1.57 1.13 -1.07 -5.11 117.38 110.70 2k92 n GLN 76 Ca 0.00 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.21 2k92 n GLN 76 Cb 0.00 0.00 0.77 0.00 0.11 0.00 0.00 30.24 31.12 2k92 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62