#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 0.00 -0.11 0.44 -2.24 -1.26 -3.16 114.28 107.95 2k92 n THR 2 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2k92 n THR 2 Cb 0.00 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.96 1.52 -0.28 2.28 0.00 -1.26 -3.87 119.36 116.79 2k92 n ILE 3 Ca 0.18 -0.08 0.21 0.00 0.00 0.00 0.00 62.75 63.06 2k92 n ILE 3 Cb 0.08 -2.04 0.52 0.00 0.00 0.00 0.00 39.64 38.20 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 0.37 0.00 9.51 -0.00 -1.93 1.57 114.58 123.11 2k92 h GLU 4 Ca -0.39 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 58.92 2k92 h GLU 4 Cb 1.30 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2k92 h GLU 4 CO -0.24 0.25 -0.10 1.05 -0.00 0.00 0.00 179.01 179.97 2k92 h GLU 5 N 0.39 0.00 0.00 1.06 4.11 -1.72 -2.77 114.58 115.65 2k92 h GLU 5 Ca 0.53 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.69 2k92 h GLU 5 Cb 1.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.57 2k92 h GLU 5 CO -0.22 0.10 -1.96 0.54 0.07 0.00 0.00 179.01 177.54 2k92 n ARG 6 N -3.26 0.66 -0.29 1.06 1.74 0.47 -4.16 116.66 112.88 2k92 n ARG 6 Ca 0.00 0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 2k92 n ARG 6 Cb 0.35 -1.65 0.17 0.00 -1.02 0.00 0.00 32.46 30.31 2k92 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k92 h VAL 7 N 0.00 1.23 -0.91 1.55 2.07 0.77 -0.89 116.25 120.08 2k92 h VAL 7 Ca -0.34 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 66.84 2k92 h VAL 7 Cb 1.90 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 2k92 h VAL 7 CO 0.04 0.23 0.59 0.11 0.02 0.00 0.00 177.57 178.56 2k92 h LYS 8 N 1.17 0.81 0.64 1.57 6.56 -1.67 -0.20 116.57 125.45 2k92 h LYS 8 Ca 0.31 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.82 2k92 h LYS 8 Cb -0.09 -0.18 0.01 0.00 -0.57 0.00 0.00 32.23 31.39 2k92 h LYS 8 CO -0.06 0.54 -0.31 0.87 -2.06 0.00 0.00 179.45 178.43 2k92 h LYS 9 N 0.84 -0.83 -0.68 3.15 1.57 -1.37 1.57 116.57 120.82 2k92 h LYS 9 Ca 0.44 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.41 2k92 h LYS 9 Cb 0.53 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.90 2k92 h LYS 9 CO -0.20 -0.51 -0.23 0.82 -0.57 0.00 0.00 179.45 178.76 2k92 h ILE 10 N -1.06 0.25 0.00 1.86 2.04 -0.94 1.44 117.51 121.09 2k92 h ILE 10 Ca -0.09 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2k92 h ILE 10 Cb 0.70 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2k92 h ILE 10 CO 0.14 0.00 -0.40 0.40 0.00 0.00 0.00 178.15 178.30 2k92 h ILE 11 N -0.05 0.96 0.00 -0.67 1.08 -0.96 1.38 117.51 119.25 2k92 h ILE 11 Ca 0.31 -1.56 -0.07 0.00 -0.39 0.00 0.00 64.86 63.15 2k92 h ILE 11 Cb 0.53 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.21 2k92 h ILE 11 CO -0.72 0.39 -0.33 1.23 -0.69 0.00 0.00 178.15 178.02 2k92 h GLY 12 N 1.98 0.00 0.00 5.37 0.00 1.15 -2.80 103.07 108.77 2k92 h GLY 12 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2k92 h GLY 12 CO 0.05 0.00 -1.64 -1.06 0.00 0.00 0.00 176.54 173.89 2k92 n GLN 13 N -3.45 0.44 -0.01 4.80 1.13 0.39 -2.25 117.38 118.43 2k92 n GLN 13 Ca 0.00 0.19 -0.08 0.00 -1.94 0.00 0.00 57.00 55.17 2k92 n GLN 13 Cb 0.50 -1.25 -0.05 0.00 0.11 0.00 0.00 30.24 29.54 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 -0.78 -0.30 0.42 -1.09 1.08 0.17 -2.77 115.11 111.85 2k92 h GLN 14 Ca -0.33 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2k92 h GLN 14 Cb 1.20 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.67 2k92 h GLN 14 CO -0.20 -0.20 -0.50 -0.07 -0.95 0.00 0.00 178.83 176.91 2k92 h LEU 15 N -0.31 -1.39 0.00 1.46 3.38 -1.63 -3.46 115.31 113.36 2k92 h LEU 15 Ca 0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k92 h LEU 15 Cb 0.36 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2k92 h LEU 15 CO -0.24 -0.64 0.00 0.61 0.09 0.00 0.00 178.44 178.26 2k92 n GLY 16 N -1.54 0.77 1.31 0.83 0.00 -1.04 -4.90 105.19 100.60 2k92 n GLY 16 Ca -0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2k92 n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k92 n VAL 17 N 0.00 0.00 -3.16 1.61 0.31 -0.95 -5.03 118.33 111.11 2k92 n VAL 17 Ca 0.00 -0.92 -0.21 0.00 -0.01 0.00 0.00 64.34 63.20 2k92 n VAL 17 Cb 0.00 0.32 0.06 0.00 -0.91 0.00 0.00 33.84 33.31 2k92 n VAL 17 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k92 s LYS 18 N -2.61 2.23 -1.15 5.55 3.01 -1.26 -4.60 119.74 120.92 2k92 s LYS 18 Ca 0.07 -1.75 -0.03 0.00 -1.01 0.00 0.00 55.97 53.25 2k92 s LYS 18 Cb 0.00 -2.56 0.24 0.00 -1.01 0.00 0.00 37.83 34.51 2k92 s LYS 18 CO 0.05 -0.91 2.04 1.04 0.51 0.00 0.00 175.35 178.08 2k92 n GLN 19 N -2.23 5.08 0.00 1.68 6.02 -1.26 -4.10 117.38 122.56 2k92 n GLN 19 Ca 0.14 -4.18 0.00 0.00 -0.01 0.00 0.00 57.00 52.95 2k92 n GLN 19 Cb 0.62 -2.54 0.00 0.00 1.02 0.00 0.00 30.24 29.34 2k92 n GLN 19 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2k92 n GLU 20 N 0.73 0.00 -0.12 -1.09 4.71 -1.26 -4.89 120.64 118.72 2k92 n GLU 20 Ca 0.53 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.71 2k92 n GLU 20 Cb 0.26 -0.01 0.10 0.00 -1.01 0.00 0.00 31.44 30.78 2k92 n GLU 20 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2k92 n GLU 21 N -2.10 1.55 -3.65 3.49 -0.58 -1.26 -4.60 120.64 113.49 2k92 n GLU 21 Ca 0.00 -0.82 -0.39 0.00 -0.42 0.00 0.00 57.16 55.53 2k92 n GLU 21 Cb 0.00 -1.20 -0.09 0.00 -0.57 0.00 0.00 31.44 29.58 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 -1.69 3.90 0.00 2.62 1.01 -1.26 -4.99 120.40 119.99 2k92 s VAL 22 Ca 0.15 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 59.87 2k92 s VAL 22 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2k92 s VAL 22 CO 0.10 -0.80 0.00 0.35 0.00 0.00 0.00 175.10 174.75 2k92 n THR 23 N 4.33 0.00 -0.00 3.92 -2.24 -1.26 -5.03 114.28 114.00 2k92 n THR 23 Ca -0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2k92 n THR 23 Cb 0.41 -0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 67.93 2k92 n THR 23 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2k92 h ASN 24 N 0.00 0.35 -0.66 3.42 2.35 -1.98 -3.33 115.58 115.73 2k92 h ASN 24 Ca 0.00 -0.84 -0.39 0.00 -0.55 0.00 0.00 56.30 54.52 2k92 h ASN 24 Cb 0.00 -0.11 -0.20 0.00 0.05 0.00 0.00 38.32 38.06 2k92 h ASN 24 CO 0.00 1.62 0.50 0.59 -1.65 0.00 0.00 177.43 178.49 2k92 n ASN 25 N -3.93 5.10 -4.10 5.81 3.02 -1.26 -3.67 115.26 116.23 2k92 n ASN 25 Ca -0.26 -3.18 -0.36 0.00 -0.03 0.00 0.00 54.58 50.75 2k92 n ASN 25 Cb 0.89 -0.87 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.33 3.97 -0.67 5.41 0.00 -1.25 -4.98 121.76 121.91 2k92 s ALA 26 Ca 0.40 -3.61 -0.23 0.00 0.00 0.00 0.00 51.96 48.52 2k92 s ALA 26 Cb 0.32 -2.76 -0.19 0.00 0.00 0.00 0.00 23.12 20.50 2k92 s ALA 26 CO 0.04 -2.14 1.88 0.43 0.00 0.00 0.00 175.76 175.97 2k92 n SER 27 N 2.80 2.34 -0.43 0.00 7.64 -1.26 -4.40 113.62 120.30 2k92 n SER 27 Ca 0.16 -2.65 0.35 0.00 1.01 0.00 0.00 58.87 57.75 2k92 n SER 27 Cb 0.37 -1.03 0.58 0.00 -1.01 0.00 0.00 64.21 63.13 2k92 n SER 27 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2k92 n PHE 28 N 7.61 0.45 0.00 1.43 1.16 -1.26 -0.02 117.46 126.84 2k92 n PHE 28 Ca 0.49 0.45 0.00 0.00 -1.87 0.00 0.00 57.45 56.52 2k92 n PHE 28 Cb 0.40 -0.87 0.00 0.00 -1.61 0.00 0.00 39.48 37.41 2k92 n PHE 28 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2k92 n VAL 29 N -4.17 0.00 -0.11 1.97 0.31 -1.26 0.19 118.33 115.26 2k92 n VAL 29 Ca 0.34 1.05 -0.19 0.00 -0.01 0.00 0.00 64.34 65.53 2k92 n VAL 29 Cb 1.37 -1.46 -0.12 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.98 0.66 -0.13 5.55 0.00 -0.46 -2.68 120.64 121.60 2k92 n GLU 30 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 57.16 57.26 2k92 n GLU 30 Cb 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 31.44 29.83 2k92 n GLU 30 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2k92 h ASP 31 N -0.03 -1.17 0.00 4.31 3.45 -0.51 -3.38 116.42 119.08 2k92 h ASP 31 Ca -0.56 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.06 2k92 h ASP 31 Cb 1.91 0.49 0.00 0.00 -0.56 0.00 0.00 39.33 41.17 2k92 h ASP 31 CO -0.08 -0.21 0.00 0.18 -1.57 0.00 0.00 179.24 177.56 2k92 n LEU 32 N -4.31 0.47 0.00 1.55 4.32 -0.75 -4.96 117.00 113.33 2k92 n LEU 32 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 2k92 n LEU 32 Cb 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2k92 n LEU 32 CO -0.02 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.76 2k92 n GLY 33 N 2.71 -0.00 2.97 -0.72 0.00 0.51 -4.96 105.19 105.69 2k92 n GLY 33 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 2k92 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k92 s ALA 34 N 0.00 -1.54 -0.03 4.61 0.00 -1.09 -4.91 121.76 118.79 2k92 s ALA 34 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2k92 s ALA 34 Cb 0.00 -2.47 0.07 0.00 0.00 0.00 0.00 23.12 20.73 2k92 s ALA 34 CO 0.00 -2.19 0.92 -0.25 0.00 0.00 0.00 175.76 174.24 2k92 n ASP 35 N 4.07 1.11 0.00 0.00 9.92 -1.26 -4.45 116.55 125.94 2k92 n ASP 35 Ca 0.13 -2.04 -0.00 0.00 -0.53 0.00 0.00 54.79 52.35 2k92 n ASP 35 Cb 0.53 -0.16 -0.00 0.00 -0.64 0.00 0.00 41.12 40.85 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 -0.50 0.08 -2.05 -2.24 7.64 -1.26 -4.79 113.62 110.50 2k92 n SER 36 Ca 0.04 0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.79 2k92 n SER 36 Cb 0.52 -0.08 0.24 0.00 -1.01 0.00 0.00 64.21 63.88 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 -2.57 6.28 0.00 -3.43 -0.00 -1.26 -4.54 117.00 111.47 2k92 n LEU 37 Ca -0.00 -3.45 0.00 0.00 -0.00 0.00 0.00 56.01 52.56 2k92 n LEU 37 Cb 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 2k92 n LEU 37 CO 0.00 0.96 0.00 -0.90 -0.00 0.00 0.00 177.39 177.45 2k92 n ASP 38 N -0.72 0.00 0.36 1.45 5.75 -1.26 -3.66 116.55 118.46 2k92 n ASP 38 Ca 0.50 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 55.10 2k92 n ASP 38 Cb 1.51 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 41.51 2k92 n ASP 38 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2k92 h THR 39 N 0.00 0.23 0.00 2.12 1.35 -1.86 0.15 112.91 114.91 2k92 h THR 39 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2k92 h THR 39 Cb 0.00 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 2k92 h THR 39 CO 0.00 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.79 2k92 n VAL 40 N -5.52 0.00 -0.35 6.82 0.31 -1.26 0.13 118.33 118.46 2k92 n VAL 40 Ca -0.13 0.57 -0.00 0.00 -0.01 0.00 0.00 64.34 64.77 2k92 n VAL 40 Cb 0.41 -1.05 0.05 0.00 -0.91 0.00 0.00 33.84 32.34 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 -0.20 -0.20 -0.31 5.55 1.02 -1.24 0.11 120.64 125.36 2k92 n GLU 41 Ca 0.00 1.42 -0.00 0.00 -0.02 0.00 0.00 57.16 58.56 2k92 n GLU 41 Cb 0.00 -2.11 0.06 0.00 -0.02 0.00 0.00 31.44 29.38 2k92 n GLU 41 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k92 h LEU 42 N 0.00 -1.13 -0.05 -4.62 6.46 0.01 0.11 115.31 116.10 2k92 h LEU 42 Ca 0.33 0.27 0.01 0.00 -0.12 0.00 0.00 57.88 58.37 2k92 h LEU 42 Cb 0.56 0.63 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 2k92 h LEU 42 CO -0.92 -0.29 -0.05 0.58 -0.62 0.00 0.00 178.44 177.14 2k92 h VAL 43 N -0.04 0.00 -0.77 1.05 2.07 0.87 1.51 116.25 120.94 2k92 h VAL 43 Ca 0.35 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.04 2k92 h VAL 43 Cb 0.61 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.23 2k92 h VAL 43 CO -0.89 0.00 -0.11 0.24 0.02 0.00 0.00 177.57 176.83 2k92 h MET 44 N -0.03 0.03 0.06 1.57 2.86 -0.99 1.79 114.93 120.22 2k92 h MET 44 Ca 0.01 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k92 h MET 44 Cb 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2k92 h MET 44 CO -0.06 0.02 -0.03 0.00 1.06 0.00 0.00 176.91 177.90 2k92 h ALA 45 N 1.76 -0.96 -0.19 6.32 0.00 0.78 1.45 119.26 128.41 2k92 h ALA 45 Ca 0.39 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2k92 h ALA 45 Cb 0.65 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k92 h ALA 45 CO -0.75 -0.96 0.48 -0.07 0.00 0.00 0.00 179.25 177.95 2k92 h LEU 46 N -0.09 0.00 0.00 0.00 3.38 0.26 0.26 115.31 119.12 2k92 h LEU 46 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k92 h LEU 46 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k92 h LEU 46 CO 0.01 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.21 2k92 h GLU 47 N 0.00 0.00 -0.53 1.13 5.08 0.36 -3.24 114.58 117.38 2k92 h GLU 47 Ca 0.09 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2k92 h GLU 47 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2k92 h GLU 47 CO -0.00 0.97 0.35 0.93 -1.00 0.00 0.00 179.01 180.26 2k92 h GLU 48 N -0.97 0.60 0.00 2.33 4.39 0.53 0.29 114.58 121.75 2k92 h GLU 48 Ca -0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2k92 h GLU 48 Cb 0.97 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2k92 h GLU 48 CO 0.00 0.40 -0.06 1.49 -1.16 0.00 0.00 179.01 179.68 2k92 h GLU 49 N 0.62 0.00 0.00 2.33 4.57 -1.04 -3.44 114.58 117.62 2k92 h GLU 49 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2k92 h GLU 49 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2k92 h GLU 49 CO -0.05 0.06 0.00 1.19 -1.18 0.00 0.00 179.01 179.03 2k92 n PHE 50 N -4.23 0.00 0.00 0.92 3.01 0.13 -5.11 117.46 112.18 2k92 n PHE 50 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 2k92 n PHE 50 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.94 0.00 -3.12 4.37 2.03 0.80 -4.97 116.55 114.72 2k92 n ASP 51 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2k92 n ASP 51 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k92 n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k92 s THR 52 N 0.00 -0.80 -0.47 5.18 -1.32 -1.26 -5.01 115.64 111.96 2k92 s THR 52 Ca 0.00 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.21 2k92 s THR 52 Cb 0.00 -0.40 -0.27 0.00 -1.51 0.00 0.00 72.50 70.33 2k92 s THR 52 CO 0.00 0.00 1.79 -1.84 -2.21 0.00 0.00 174.62 172.36 2k92 n GLU 53 N 4.78 0.66 -1.46 7.08 0.28 -1.26 -4.50 120.64 126.23 2k92 n GLU 53 Ca 0.08 -1.48 -0.46 0.00 -0.16 0.00 0.00 57.16 55.14 2k92 n GLU 53 Cb 0.57 -2.88 -0.09 0.00 1.43 0.00 0.00 31.44 30.47 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 6.91 0.06 -2.53 3.84 0.13 -1.26 -4.87 119.36 121.65 2k92 n ILE 54 Ca 0.47 -0.27 -0.37 0.00 -1.10 0.00 0.00 62.75 61.48 2k92 n ILE 54 Cb 0.42 -1.44 -0.04 0.00 -0.84 0.00 0.00 39.64 37.74 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 7.35 4.26 0.34 9.51 0.04 -1.26 -4.71 135.00 150.54 2k92 s PRO 55 Ca 1.15 1.57 0.15 0.00 0.04 0.00 0.00 61.00 63.91 2k92 s PRO 55 Cb -0.90 -2.68 1.08 0.00 0.04 0.00 0.00 34.50 32.04 2k92 s PRO 55 CO 0.46 -0.07 1.67 0.22 0.04 0.00 0.00 177.00 179.33 2k92 h ASP 56 N 2.77 0.53 -0.88 6.66 1.82 -1.95 1.79 116.42 127.16 2k92 h ASP 56 Ca -0.48 0.18 0.15 0.00 -0.39 0.00 0.00 57.03 56.49 2k92 h ASP 56 Cb 1.21 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 41.25 2k92 h ASP 56 CO 0.63 -0.10 0.48 -0.08 -1.61 0.00 0.00 179.24 178.56 2k92 h GLU 57 N 0.35 0.66 0.00 0.28 4.57 -1.99 0.98 114.58 119.43 2k92 h GLU 57 Ca 0.72 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.86 2k92 h GLU 57 Cb 1.64 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2k92 h GLU 57 CO -0.58 0.43 -0.89 0.39 -1.18 0.00 0.00 179.01 177.19 2k92 n GLU 58 N -4.83 0.01 0.17 1.92 1.02 0.36 -4.00 120.64 115.28 2k92 n GLU 58 Ca 0.18 -0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.37 2k92 n GLU 58 Cb 0.45 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.58 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 2.99 0.84 0.00 0.62 0.00 0.45 -2.83 119.26 121.33 2k92 h ALA 59 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2k92 h ALA 59 Cb 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k92 h ALA 59 CO 0.00 0.50 -0.08 1.05 0.00 0.00 0.00 179.25 180.73 2k92 h GLU 60 N 0.00 0.00 -0.09 0.00 -0.00 -1.13 -2.62 114.58 110.74 2k92 h GLU 60 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2k92 h GLU 60 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 2k92 h GLU 60 CO 0.05 0.08 0.00 1.63 -0.00 0.00 0.00 179.01 180.77 2k92 n LYS 61 N -3.14 1.49 -0.60 1.06 5.02 -1.07 -3.27 118.16 117.65 2k92 n LYS 61 Ca 0.03 -0.73 0.06 0.00 -2.02 0.00 0.00 58.31 55.64 2k92 n LYS 61 Cb 0.49 -1.39 0.15 0.00 -0.02 0.00 0.00 35.03 34.25 2k92 n LYS 61 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2k92 n ILE 62 N -0.06 1.64 -0.26 -0.18 -5.35 -0.99 -4.84 119.36 109.31 2k92 n ILE 62 Ca 0.17 -2.43 0.16 0.00 -0.27 0.00 0.00 62.75 60.37 2k92 n ILE 62 Cb 0.25 0.00 0.30 0.00 -1.74 0.00 0.00 39.64 38.45 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 -0.87 -0.33 -2.58 7.28 -2.24 -1.20 -4.29 114.28 110.05 2k92 n THR 63 Ca 0.15 1.68 -0.23 0.00 -2.27 0.00 0.00 64.05 63.37 2k92 n THR 63 Cb 0.75 -2.52 0.04 0.00 -2.10 0.00 0.00 70.33 66.49 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 -5.55 3.03 -0.04 4.28 -4.23 -1.26 -4.45 115.64 107.41 2k92 s THR 64 Ca -0.09 -0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 59.76 2k92 s THR 64 Cb 0.24 -3.18 -0.16 0.00 1.34 0.00 0.00 72.50 70.74 2k92 s THR 64 CO 0.61 -0.15 0.95 0.58 -0.54 0.00 0.00 174.62 176.07 2k92 h VAL 65 N -0.04 0.84 -0.86 2.29 2.07 -1.75 -3.23 116.25 115.58 2k92 h VAL 65 Ca -0.44 -1.03 0.13 0.00 0.82 0.00 0.00 66.70 66.18 2k92 h VAL 65 Cb 1.28 1.37 -0.14 0.00 -1.52 0.00 0.00 31.29 32.29 2k92 h VAL 65 CO 0.56 0.20 -0.34 1.67 0.02 0.00 0.00 177.57 179.68 2k92 n GLN 66 N -4.96 -0.21 -0.21 1.57 7.27 -1.24 0.18 117.38 119.79 2k92 n GLN 66 Ca -0.08 1.32 -0.00 0.00 0.07 0.00 0.00 57.00 58.31 2k92 n GLN 66 Cb 0.26 -1.96 0.07 0.00 2.41 0.00 0.00 30.24 31.02 2k92 n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k92 h ALA 67 N 1.16 0.45 -0.87 1.69 0.00 -1.86 1.39 119.26 121.22 2k92 h ALA 67 Ca 0.29 0.23 0.25 0.00 0.00 0.00 0.00 54.91 55.69 2k92 h ALA 67 Cb 0.51 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2k92 h ALA 67 CO -0.85 -0.42 0.83 0.00 0.00 0.00 0.00 179.25 178.81 2k92 h ALA 68 N 1.61 2.71 0.00 0.00 0.00 0.19 1.44 119.26 125.21 2k92 h ALA 68 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k92 h ALA 68 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k92 h ALA 68 CO -0.62 -1.28 -0.27 0.82 0.00 0.00 0.00 179.25 177.90 2k92 h ILE 69 N 0.00 0.00 -0.11 0.00 2.04 0.21 -2.81 117.51 116.84 2k92 h ILE 69 Ca 0.41 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2k92 h ILE 69 Cb 2.07 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2k92 h ILE 69 CO -0.00 0.00 0.38 0.44 0.00 0.00 0.00 178.15 178.97 2k92 h ASP 70 N -0.92 0.00 0.17 1.72 5.19 0.59 0.37 116.42 123.55 2k92 h ASP 70 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 2k92 h ASP 70 Cb 0.27 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.80 2k92 h ASP 70 CO 0.00 0.00 -1.14 0.22 -3.12 0.00 0.00 179.24 175.20 2k92 h TYR 71 N 0.00 0.67 0.00 4.55 3.20 0.18 0.67 116.97 126.24 2k92 h TYR 71 Ca 0.05 -0.49 -0.06 0.00 3.14 0.00 0.00 58.73 61.37 2k92 h TYR 71 Cb 0.81 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2k92 h TYR 71 CO 0.00 1.44 -0.31 0.82 -1.64 0.00 0.00 178.16 178.47 2k92 h ILE 72 N -0.19 0.81 0.02 1.81 1.08 -0.16 -2.25 117.51 118.63 2k92 h ILE 72 Ca -0.21 -1.28 -0.28 0.00 -0.39 0.00 0.00 64.86 62.70 2k92 h ILE 72 Cb 1.84 1.79 -0.04 0.00 -3.07 0.00 0.00 36.82 37.34 2k92 h ILE 72 CO 0.18 0.30 -1.56 0.78 -0.69 0.00 0.00 178.15 177.16 2k92 h ASN 73 N 0.00 0.07 -0.19 1.72 2.35 -0.64 -3.28 115.58 115.60 2k92 h ASN 73 Ca -0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2k92 h ASN 73 Cb 0.77 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2k92 h ASN 73 CO 0.04 1.10 0.00 0.61 -1.65 0.00 0.00 177.43 177.53 2k92 n GLY 74 N 1.55 0.64 0.33 2.83 0.00 0.23 -4.03 105.19 106.74 2k92 n GLY 74 Ca -0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 0.13 0.00 -1.61 1.61 -0.00 -0.88 -4.98 115.22 109.50 2k92 n HIS 75 Ca 0.07 0.00 -0.58 0.00 -0.00 0.00 0.00 57.72 57.21 2k92 n HIS 75 Cb 0.29 -0.23 -0.08 0.00 -0.00 0.00 0.00 29.99 29.98 2k92 n HIS 75 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2k92 n GLN 76 N -3.58 0.51 0.00 1.57 1.13 -1.24 -5.13 117.38 110.64 2k92 n GLN 76 Ca -0.06 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 2k92 n GLN 76 Cb 0.24 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.83 2k92 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62