#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 0.39 -0.13 0.44 -2.24 -1.26 -3.74 114.28 107.74 2k92 n THR 2 Ca 0.00 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 2k92 n THR 2 Cb 0.00 -0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.11 1.52 -0.08 2.28 0.00 -1.26 -4.19 119.36 117.75 2k92 n ILE 3 Ca 0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 62.75 62.51 2k92 n ILE 3 Cb 0.25 -2.00 -0.00 0.00 0.00 0.00 0.00 39.64 37.89 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 0.05 -1.03 9.51 4.11 -1.96 0.68 114.58 124.94 2k92 h GLU 4 Ca -0.52 -0.00 0.26 0.00 0.07 0.00 0.00 59.36 59.16 2k92 h GLU 4 Cb 1.45 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.59 2k92 h GLU 4 CO -0.32 0.04 0.66 1.05 0.07 0.00 0.00 179.01 180.51 2k92 h GLU 5 N 0.06 0.39 0.00 1.06 4.11 -1.80 0.55 114.58 118.95 2k92 h GLU 5 Ca 0.14 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 59.32 2k92 h GLU 5 Cb 0.20 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2k92 h GLU 5 CO -0.26 0.26 -1.28 0.00 0.07 0.00 0.00 179.01 177.80 2k92 h ARG 6 N 0.41 0.00 -0.88 1.06 3.08 -1.21 -3.30 114.38 113.53 2k92 h ARG 6 Ca 0.58 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.68 2k92 h ARG 6 Cb 1.46 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.46 2k92 h ARG 6 CO -0.29 0.69 0.58 0.28 -1.07 0.00 0.00 179.97 180.16 2k92 h VAL 7 N 0.00 1.11 -0.96 2.04 2.07 0.55 -0.05 116.25 121.01 2k92 h VAL 7 Ca -0.13 -0.36 0.18 0.00 0.82 0.00 0.00 66.70 67.20 2k92 h VAL 7 Cb 1.82 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 2k92 h VAL 7 CO 0.10 0.19 0.61 0.11 0.02 0.00 0.00 177.57 178.59 2k92 h LYS 8 N 1.05 0.65 0.15 1.57 6.56 -1.24 0.24 116.57 125.56 2k92 h LYS 8 Ca 0.36 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.91 2k92 h LYS 8 Cb 0.10 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2k92 h LYS 8 CO -0.12 0.43 -0.07 0.87 -2.06 0.00 0.00 179.45 178.50 2k92 h LYS 9 N 0.67 -0.19 -0.51 3.15 1.57 -1.18 1.65 116.57 121.74 2k92 h LYS 9 Ca 0.51 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.41 2k92 h LYS 9 Cb 0.90 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.15 2k92 h LYS 9 CO -0.27 -0.07 -0.24 0.82 -0.57 0.00 0.00 179.45 179.12 2k92 h ILE 10 N -0.27 0.32 0.00 1.86 2.04 -0.84 1.59 117.51 122.21 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 0.21 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2k92 h ILE 10 CO 0.03 0.00 -0.51 0.40 0.00 0.00 0.00 178.15 178.07 2k92 h ILE 11 N -0.12 1.24 0.00 -0.67 1.08 -1.06 1.46 117.51 119.44 2k92 h ILE 11 Ca 0.23 -1.84 -0.06 0.00 -0.39 0.00 0.00 64.86 62.80 2k92 h ILE 11 Cb 0.49 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 2k92 h ILE 11 CO -0.58 0.50 -0.31 1.23 -0.69 0.00 0.00 178.15 178.31 2k92 h GLY 12 N 1.85 0.00 0.00 5.37 0.00 0.73 -2.92 103.07 108.10 2k92 h GLY 12 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2k92 h GLY 12 CO 0.07 0.00 -1.24 -1.06 0.00 0.00 0.00 176.54 174.30 2k92 n GLN 13 N -3.50 0.44 -0.15 4.80 1.13 0.49 -2.94 117.38 117.64 2k92 n GLN 13 Ca -0.00 0.18 -0.07 0.00 -1.94 0.00 0.00 57.00 55.17 2k92 n GLN 13 Cb 0.46 -1.26 -0.05 0.00 0.11 0.00 0.00 30.24 29.50 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 -0.80 -0.10 0.00 -1.09 1.08 0.19 -3.04 115.11 111.34 2k92 h GLN 14 Ca -0.18 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 2k92 h GLN 14 Cb 1.01 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2k92 h GLN 14 CO -0.11 -0.07 0.00 1.28 -0.95 0.00 0.00 178.83 178.98 2k92 n LEU 15 N -4.20 0.00 0.00 1.46 4.77 -1.10 -4.89 117.00 113.04 2k92 n LEU 15 Ca -0.00 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 2k92 n LEU 15 Cb 0.16 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2k92 n LEU 15 CO -0.04 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 2k92 n GLY 16 N -0.80 0.40 1.29 -0.72 0.00 -1.15 -4.91 105.19 99.29 2k92 n GLY 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.88 1.61 0.24 -1.15 -5.05 118.33 112.10 2k92 n VAL 17 Ca 0.00 -0.90 -0.30 0.00 -2.04 0.00 0.00 64.34 61.10 2k92 n VAL 17 Cb 0.00 0.30 0.16 0.00 -1.47 0.00 0.00 33.84 32.83 2k92 n VAL 17 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k92 s LYS 18 N -2.61 0.94 -0.22 7.34 3.01 -1.26 -4.65 119.74 122.29 2k92 s LYS 18 Ca 0.07 -0.23 0.09 0.00 -1.01 0.00 0.00 55.97 54.88 2k92 s LYS 18 Cb 0.00 -1.86 -0.20 0.00 -1.01 0.00 0.00 37.83 34.76 2k92 s LYS 18 CO 0.05 -2.24 -0.09 0.94 0.51 0.00 0.00 175.35 174.52 2k92 n GLN 19 N -3.69 0.73 0.07 1.68 0.00 -1.26 -3.45 117.38 111.46 2k92 n GLN 19 Ca 0.13 0.07 -0.08 0.00 -0.00 0.00 0.00 57.00 57.12 2k92 n GLN 19 Cb 0.60 -1.49 0.06 0.00 0.00 0.00 0.00 30.24 29.40 2k92 n GLN 19 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2k92 h GLU 20 N 0.00 0.31 0.01 3.69 5.08 -1.99 -3.25 114.58 118.42 2k92 h GLU 20 Ca -0.54 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 57.46 2k92 h GLU 20 Cb 2.01 0.05 0.01 0.00 0.50 0.00 0.00 28.75 31.32 2k92 h GLU 20 CO -0.03 0.89 -0.46 0.93 -1.00 0.00 0.00 179.01 179.34 2k92 h GLU 21 N 0.21 0.29 -6.58 2.33 5.08 -1.99 -3.44 114.58 110.48 2k92 h GLU 21 Ca -0.02 -0.33 -0.53 0.00 -1.00 0.00 0.00 59.36 57.48 2k92 h GLU 21 Cb 1.27 0.10 0.03 0.00 0.50 0.00 0.00 28.75 30.64 2k92 h GLU 21 CO 0.11 1.04 0.74 0.54 -1.00 0.00 0.00 179.01 180.44 2k92 s VAL 22 N -3.05 3.18 0.15 3.13 0.11 -1.22 -5.01 120.40 117.69 2k92 s VAL 22 Ca -0.15 0.86 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 2k92 s VAL 22 Cb 0.02 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 2k92 s VAL 22 CO 0.79 0.08 0.03 0.42 -3.33 0.00 0.00 175.10 173.09 2k92 s THR 23 N 0.93 0.34 -1.34 5.04 -4.23 -1.26 -4.82 115.64 110.30 2k92 s THR 23 Ca 0.64 -1.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.05 2k92 s THR 23 Cb -0.38 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.41 2k92 s THR 23 CO 0.32 -0.47 2.06 -0.46 -0.54 0.00 0.00 174.62 175.52 2k92 n ASN 24 N -0.15 4.00 0.00 3.99 6.94 -1.26 -2.68 115.26 126.10 2k92 n ASN 24 Ca -0.06 -2.84 0.00 0.00 -0.02 0.00 0.00 54.58 51.66 2k92 n ASN 24 Cb 0.63 -1.64 0.00 0.00 -2.36 0.00 0.00 39.78 36.42 2k92 n ASN 24 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k92 n ASN 25 N 7.16 0.00 -4.41 0.53 2.85 -1.26 -4.53 115.26 115.60 2k92 n ASN 25 Ca 0.51 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.66 2k92 n ASN 25 Cb 0.41 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.60 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 -2.96 -3.59 5.20 0.00 -1.09 -4.78 120.51 113.29 2k92 n ALA 26 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 53.44 52.25 2k92 n ALA 26 Cb 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.33 2.28 -0.44 0.00 7.64 -1.26 -3.48 113.62 116.03 2k92 n SER 27 Ca 0.05 -3.07 0.37 0.00 1.01 0.00 0.00 58.87 57.23 2k92 n SER 27 Cb 0.56 -0.68 0.63 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.73 0.67 0.00 1.43 1.16 -1.26 0.44 117.46 121.64 2k92 n PHE 28 Ca 0.25 0.68 0.00 0.00 -1.87 0.00 0.00 57.45 56.51 2k92 n PHE 28 Cb 0.41 -1.11 0.00 0.00 -1.61 0.00 0.00 39.48 37.17 2k92 n PHE 28 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 2k92 n VAL 29 N -4.60 0.00 -0.07 1.97 0.24 -1.25 0.19 118.33 114.81 2k92 n VAL 29 Ca 0.38 0.59 -0.19 0.00 -2.04 0.00 0.00 64.34 63.07 2k92 n VAL 29 Cb 1.46 -1.06 -0.13 0.00 -1.47 0.00 0.00 33.84 32.64 2k92 n VAL 29 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2k92 n GLU 30 N -0.24 0.70 -0.39 7.34 0.00 -0.98 -1.61 120.64 125.46 2k92 n GLU 30 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 57.16 57.29 2k92 n GLU 30 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 31.44 29.78 2k92 n GLU 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2k92 n ASP 31 N -3.34 -0.89 0.00 4.31 -0.08 0.17 -4.13 116.55 112.59 2k92 n ASP 31 Ca -0.39 1.70 0.00 0.00 -1.51 0.00 0.00 54.79 54.59 2k92 n ASP 31 Cb 1.02 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 44.21 2k92 n ASP 31 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k92 n LEU 32 N -5.27 0.00 0.00 -2.67 4.32 -1.14 -4.96 117.00 107.27 2k92 n LEU 32 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 2k92 n LEU 32 Cb 0.30 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 2k92 n LEU 32 CO -0.15 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.48 2k92 n GLY 33 N 2.49 0.34 2.72 -0.72 0.00 0.51 -4.99 105.19 105.54 2k92 n GLY 33 Ca 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.62 -0.15 4.61 0.00 -0.52 -4.88 121.76 120.20 2k92 s ALA 34 Ca 0.00 -1.08 0.14 0.00 0.00 0.00 0.00 51.96 51.02 2k92 s ALA 34 Cb 0.00 -2.19 0.36 0.00 0.00 0.00 0.00 23.12 21.29 2k92 s ALA 34 CO 0.00 -2.14 1.18 -0.25 0.00 0.00 0.00 175.76 174.55 2k92 n ASP 35 N 3.57 1.66 0.00 0.00 9.92 -1.26 -4.50 116.55 125.94 2k92 n ASP 35 Ca 0.18 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.12 2k92 n ASP 35 Cb 0.50 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 2k92 n ASP 35 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2k92 n SER 36 N -0.90 0.00 -1.82 -2.24 2.88 -1.26 -4.89 113.62 105.39 2k92 n SER 36 Ca 0.15 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.53 2k92 n SER 36 Cb 0.74 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.30 2k92 n SER 36 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k92 n LEU 37 N -0.98 5.68 0.00 2.46 4.32 -1.26 -4.45 117.00 122.77 2k92 n LEU 37 Ca 0.00 -2.99 -0.00 0.00 -0.02 0.00 0.00 56.01 53.00 2k92 n LEU 37 Cb 0.00 -0.79 -0.00 0.00 -1.62 0.00 0.00 43.42 41.01 2k92 n LEU 37 CO 0.00 0.95 0.24 -0.78 -1.22 0.00 0.00 177.39 176.58 2k92 h ASP 38 N 0.87 -0.01 0.00 -1.43 -0.00 -1.90 -3.33 116.42 110.62 2k92 h ASP 38 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.42 2k92 h ASP 38 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.15 2k92 h ASP 38 CO 0.75 -0.00 -0.33 0.74 -0.00 0.00 0.00 179.24 180.40 2k92 h THR 39 N -0.02 0.00 -0.46 2.25 2.02 -1.89 -2.76 112.91 112.05 2k92 h THR 39 Ca -0.00 -0.83 0.08 0.00 0.77 0.00 0.00 66.41 66.42 2k92 h THR 39 Cb 0.01 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.34 2k92 h THR 39 CO 0.00 0.00 -0.16 0.52 0.37 0.00 0.00 175.52 176.26 2k92 n VAL 40 N -4.24 -0.22 0.15 3.16 0.31 -1.26 0.20 118.33 116.42 2k92 n VAL 40 Ca -0.05 1.06 -0.07 0.00 -0.01 0.00 0.00 64.34 65.28 2k92 n VAL 40 Cb 0.17 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 2k92 n VAL 40 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2k92 h GLU 41 N 0.00 -0.44 -0.99 5.55 4.57 -1.75 -3.22 114.58 118.31 2k92 h GLU 41 Ca 0.18 0.03 0.40 0.00 -1.18 0.00 0.00 59.36 58.79 2k92 h GLU 41 Cb 0.29 0.10 -0.18 0.00 -0.16 0.00 0.00 28.75 28.80 2k92 h GLU 41 CO -0.46 -0.29 0.47 -0.11 -1.18 0.00 0.00 179.01 177.44 2k92 n LEU 42 N -4.58 0.29 0.01 1.64 0.00 0.15 -0.01 117.00 114.50 2k92 n LEU 42 Ca -0.06 1.65 -0.06 0.00 0.00 0.00 0.00 56.01 57.54 2k92 n LEU 42 Cb 0.18 -0.78 -0.04 0.00 0.00 0.00 0.00 43.42 42.78 2k92 n LEU 42 CO 0.14 -1.83 0.50 0.58 0.00 0.00 0.00 177.39 176.78 2k92 h VAL 43 N 0.00 0.00 -0.61 1.96 2.07 0.22 1.36 116.25 121.25 2k92 h VAL 43 Ca 0.81 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.45 2k92 h VAL 43 Cb 2.11 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.76 2k92 h VAL 43 CO -0.79 0.00 -0.28 0.24 0.02 0.00 0.00 177.57 176.77 2k92 h MET 44 N -0.25 -0.11 0.45 1.57 2.86 -0.45 1.57 114.93 120.56 2k92 h MET 44 Ca 0.01 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2k92 h MET 44 Cb 0.29 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2k92 h MET 44 CO -0.17 -0.07 -0.34 0.00 1.06 0.00 0.00 176.91 177.39 2k92 h ALA 45 N 1.22 -1.10 -0.02 6.32 0.00 -0.77 1.62 119.26 126.54 2k92 h ALA 45 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k92 h ALA 45 Cb 0.53 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k92 h ALA 45 CO -0.68 -1.09 0.29 -0.07 0.00 0.00 0.00 179.25 177.69 2k92 h LEU 46 N -0.75 0.00 0.00 0.00 3.38 0.26 0.90 115.31 119.09 2k92 h LEU 46 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2k92 h LEU 46 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k92 h LEU 46 CO 0.02 0.00 -0.35 -0.33 0.09 0.00 0.00 178.44 177.87 2k92 h GLU 47 N 0.00 0.00 -0.27 1.13 4.39 0.41 -3.36 114.58 116.89 2k92 h GLU 47 Ca 0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 2k92 h GLU 47 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2k92 h GLU 47 CO -0.00 0.85 -0.20 0.93 -1.16 0.00 0.00 179.01 179.43 2k92 h GLU 48 N -1.00 0.49 -0.73 2.33 4.39 0.40 -2.57 114.58 117.90 2k92 h GLU 48 Ca -0.09 -0.16 0.07 0.00 0.34 0.00 0.00 59.36 59.51 2k92 h GLU 48 Cb 0.95 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.46 2k92 h GLU 48 CO -0.05 0.66 -0.50 1.49 -1.16 0.00 0.00 179.01 179.45 2k92 h GLU 49 N 0.44 -0.08 0.00 2.33 4.22 0.60 -3.42 114.58 118.66 2k92 h GLU 49 Ca 0.07 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2k92 h GLU 49 Cb 0.60 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k92 h GLU 49 CO 0.04 -0.06 0.00 1.19 -2.18 0.00 0.00 179.01 178.01 2k92 n PHE 50 N -4.94 -0.25 0.00 0.92 3.01 -1.20 -5.11 117.46 109.89 2k92 n PHE 50 Ca 0.01 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2k92 n PHE 50 Cb 0.24 0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2k92 n PHE 50 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k92 n ASP 51 N -2.67 0.00 -3.18 4.37 9.92 -0.97 -5.04 116.55 118.97 2k92 n ASP 51 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2k92 n ASP 51 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 2k92 n ASP 51 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2k92 s THR 52 N 0.00 -0.11 -0.59 -3.53 -1.32 -1.25 -4.99 115.64 103.84 2k92 s THR 52 Ca 0.00 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 2k92 s THR 52 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 2k92 s THR 52 CO 0.00 0.00 1.20 -1.83 -2.21 0.00 0.00 174.62 171.78 2k92 s GLU 53 N 2.48 3.50 -0.30 7.08 -1.05 -1.26 -3.76 118.70 125.39 2k92 s GLU 53 Ca -0.03 0.23 -0.35 0.00 -0.15 0.00 0.00 54.97 54.66 2k92 s GLU 53 Cb -0.05 -4.02 -0.11 0.00 -0.44 0.00 0.00 34.13 29.51 2k92 s GLU 53 CO -0.13 -1.70 2.10 1.51 0.95 0.00 0.00 175.26 177.99 2k92 n ILE 54 N 6.66 0.26 -2.52 1.83 0.00 -1.26 -4.89 119.36 119.44 2k92 n ILE 54 Ca 0.08 -0.23 -0.37 0.00 0.00 0.00 0.00 62.75 62.23 2k92 n ILE 54 Cb 0.49 -1.69 -0.04 0.00 0.00 0.00 0.00 39.64 38.40 2k92 n ILE 54 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2k92 s PRO 55 N 5.65 4.27 0.11 9.51 0.04 -1.26 -4.70 135.00 148.62 2k92 s PRO 55 Ca 1.06 1.58 -0.28 0.00 0.04 0.00 0.00 61.00 63.40 2k92 s PRO 55 Cb -0.82 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 30.92 2k92 s PRO 55 CO 0.50 -0.06 1.47 0.22 0.04 0.00 0.00 177.00 179.16 2k92 h ASP 56 N 2.80 -1.56 -1.65 6.66 1.82 -1.97 1.88 116.42 124.41 2k92 h ASP 56 Ca -0.48 0.20 0.48 0.00 -0.39 0.00 0.00 57.03 56.84 2k92 h ASP 56 Cb 1.21 0.63 -0.07 0.00 0.68 0.00 0.00 39.33 41.79 2k92 h ASP 56 CO 0.63 -0.36 1.35 1.05 -1.61 0.00 0.00 179.24 180.31 2k92 h GLU 57 N -0.38 0.00 0.01 0.28 4.11 -2.00 0.54 114.58 117.14 2k92 h GLU 57 Ca 0.05 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.14 2k92 h GLU 57 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2k92 h GLU 57 CO -0.47 0.00 -1.90 0.39 0.07 0.00 0.00 179.01 177.09 2k92 n GLU 58 N -3.69 0.59 -0.38 1.06 -0.58 0.27 -3.16 120.64 114.75 2k92 n GLU 58 Ca 0.37 0.41 0.35 0.00 -0.42 0.00 0.00 57.16 57.86 2k92 n GLU 58 Cb 1.85 -1.63 0.62 0.00 -0.57 0.00 0.00 31.44 31.71 2k92 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k92 h ALA 59 N -0.64 2.42 0.23 0.62 0.00 0.76 1.77 119.26 124.43 2k92 h ALA 59 Ca -0.51 0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 2k92 h ALA 59 Cb 1.51 0.28 0.03 0.00 0.00 0.00 0.00 17.79 19.62 2k92 h ALA 59 CO -0.28 -1.16 -1.57 1.49 0.00 0.00 0.00 179.25 177.73 2k92 h GLU 60 N 0.03 0.48 0.00 0.00 4.81 -1.28 -3.18 114.58 115.44 2k92 h GLU 60 Ca 0.85 -0.83 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k92 h GLU 60 Cb 2.44 0.31 0.00 0.00 0.63 0.00 0.00 28.75 32.12 2k92 h GLU 60 CO -0.63 1.39 0.00 1.63 -0.73 0.00 0.00 179.01 180.67 2k92 n LYS 61 N -3.67 0.06 -0.80 1.92 5.02 0.49 -1.40 118.16 119.78 2k92 n LYS 61 Ca -0.19 0.24 -0.04 0.00 -2.02 0.00 0.00 58.31 56.29 2k92 n LYS 61 Cb 1.09 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 34.81 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 -1.44 2.58 -0.62 -0.18 -5.35 0.45 -4.73 119.36 110.07 2k92 n ILE 62 Ca 0.04 -2.54 0.47 0.00 -0.27 0.00 0.00 62.75 60.45 2k92 n ILE 62 Cb 0.14 -0.33 0.72 0.00 -1.74 0.00 0.00 39.64 38.44 2k92 n ILE 62 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2k92 n THR 63 N -1.03 -0.01 -3.77 7.28 5.66 -0.50 -4.25 114.28 117.67 2k92 n THR 63 Ca 0.34 1.32 -0.22 0.00 -3.05 0.00 0.00 64.05 62.44 2k92 n THR 63 Cb 1.08 -2.20 -0.04 0.00 -1.55 0.00 0.00 70.33 67.62 2k92 n THR 63 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k92 s THR 64 N -4.64 2.90 0.03 1.09 -4.23 -1.26 -3.96 115.64 105.57 2k92 s THR 64 Ca -0.04 -1.44 -0.20 0.00 -1.18 0.00 0.00 61.69 58.83 2k92 s THR 64 Cb 0.24 -3.04 -0.17 0.00 1.34 0.00 0.00 72.50 70.86 2k92 s THR 64 CO 0.78 -0.07 1.25 0.58 -0.54 0.00 0.00 174.62 176.62 2k92 h VAL 65 N 1.20 1.39 -0.79 2.29 2.07 -1.73 -3.23 116.25 117.44 2k92 h VAL 65 Ca -0.43 -1.62 0.12 0.00 0.82 0.00 0.00 66.70 65.60 2k92 h VAL 65 Cb 1.26 2.15 -0.13 0.00 -1.52 0.00 0.00 31.29 33.05 2k92 h VAL 65 CO 0.60 0.47 -0.31 1.67 0.02 0.00 0.00 177.57 180.02 2k92 n GLN 66 N -4.42 -0.18 0.06 1.57 -0.06 -1.26 0.15 117.38 113.23 2k92 n GLN 66 Ca -0.07 1.22 -0.11 0.00 -2.00 0.00 0.00 57.00 56.04 2k92 n GLN 66 Cb 0.48 -1.81 -0.05 0.00 -4.06 0.00 0.00 30.24 24.80 2k92 n GLN 66 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2k92 h ALA 67 N 1.11 -0.21 -1.81 1.69 0.00 -1.86 0.48 119.26 118.66 2k92 h ALA 67 Ca 0.28 0.00 0.53 0.00 0.00 0.00 0.00 54.91 55.73 2k92 h ALA 67 Cb 0.48 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2k92 h ALA 67 CO -0.79 -0.66 1.29 0.00 0.00 0.00 0.00 179.25 179.09 2k92 n ALA 68 N -2.50 1.74 -0.08 0.00 0.00 0.39 0.15 120.51 120.21 2k92 n ALA 68 Ca -0.05 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 2k92 n ALA 68 Cb 0.22 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 2k92 n ALA 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2k92 h ILE 69 N 0.00 1.04 0.00 0.00 5.03 -0.34 -2.25 117.51 120.99 2k92 h ILE 69 Ca 0.88 -1.91 0.00 0.00 -0.12 0.00 0.00 64.86 63.71 2k92 h ILE 69 Cb 3.47 2.10 0.00 0.00 -3.03 0.00 0.00 36.82 39.36 2k92 h ILE 69 CO -0.06 0.35 0.20 -0.78 -0.68 0.00 0.00 178.15 177.18 2k92 h ASP 70 N -1.00 0.00 0.00 1.72 3.58 0.25 0.31 116.42 121.28 2k92 h ASP 70 Ca -0.09 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.24 2k92 h ASP 70 Cb 0.85 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2k92 h ASP 70 CO -0.06 0.00 -0.74 0.22 -2.88 0.00 0.00 179.24 175.78 2k92 h TYR 71 N 0.00 0.00 -0.94 0.28 3.20 0.94 -2.13 116.97 118.32 2k92 h TYR 71 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2k92 h TYR 71 Cb 0.40 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 2k92 h TYR 71 CO 0.00 0.93 0.61 0.82 -1.64 0.00 0.00 178.16 178.89 2k92 h ILE 72 N -1.00 1.14 -0.00 1.81 1.08 -0.66 0.61 117.51 120.49 2k92 h ILE 72 Ca -0.18 -0.40 -0.17 0.00 -0.39 0.00 0.00 64.86 63.73 2k92 h ILE 72 Cb 0.95 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2k92 h ILE 72 CO -0.11 0.21 -0.81 0.78 -0.69 0.00 0.00 178.15 177.54 2k92 h ASN 73 N 1.15 0.06 -0.20 1.72 2.35 -0.58 -2.81 115.58 117.27 2k92 h ASN 73 Ca 0.38 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2k92 h ASN 73 Cb 0.05 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2k92 h ASN 73 CO -0.12 0.84 0.00 0.61 -1.65 0.00 0.00 177.43 177.11 2k92 n GLY 74 N 0.76 0.27 2.69 2.83 0.00 -0.15 -3.80 105.19 107.80 2k92 n GLY 74 Ca -0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.83 -4.23 1.61 -0.00 0.02 -4.97 115.22 105.93 2k92 n HIS 75 Ca 0.07 -2.11 -0.14 0.00 -0.00 0.00 0.00 57.72 55.53 2k92 n HIS 75 Cb 0.23 1.23 -0.10 0.00 -0.00 0.00 0.00 29.99 31.35 2k92 n HIS 75 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2k92 s GLN 76 N -0.42 1.00 0.00 1.57 -2.07 -1.10 -4.87 119.66 113.78 2k92 s GLN 76 Ca 0.23 -1.37 0.00 0.00 -1.82 0.00 0.00 55.36 52.40 2k92 s GLN 76 Cb 0.40 -0.61 0.00 0.00 -1.09 0.00 0.00 33.01 31.72 2k92 s GLN 76 CO -0.06 0.08 0.17 0.00 -1.32 0.00 0.00 175.29 174.16