#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 0.26 -0.13 0.44 -2.24 -1.26 -3.73 114.28 107.63 2k92 n THR 2 Ca 0.00 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 2k92 n THR 2 Cb 0.00 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.06 1.52 -0.16 2.28 0.00 -1.26 -4.12 119.36 117.68 2k92 n ILE 3 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 62.75 62.56 2k92 n ILE 3 Cb 0.17 -2.00 0.07 0.00 0.00 0.00 0.00 39.64 37.88 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 0.23 -0.83 9.51 4.11 -1.96 0.94 114.58 125.58 2k92 h GLU 4 Ca -0.52 -0.01 0.16 0.00 0.07 0.00 0.00 59.36 59.06 2k92 h GLU 4 Cb 1.44 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.58 2k92 h GLU 4 CO -0.32 0.15 0.55 1.05 0.07 0.00 0.00 179.01 180.52 2k92 h GLU 5 N 0.24 0.46 0.00 1.06 4.11 -1.79 0.30 114.58 118.96 2k92 h GLU 5 Ca 0.25 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.56 2k92 h GLU 5 Cb 0.34 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k92 h GLU 5 CO -0.33 0.30 -0.97 0.00 0.07 0.00 0.00 179.01 178.08 2k92 h ARG 6 N 0.47 0.00 -0.59 1.06 3.08 -0.94 -3.31 114.38 114.15 2k92 h ARG 6 Ca 0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.41 2k92 h ARG 6 Cb 0.92 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2k92 h ARG 6 CO -0.16 0.25 0.14 0.28 -1.07 0.00 0.00 179.97 179.42 2k92 h VAL 7 N 0.00 1.24 -0.15 2.04 2.07 0.45 -1.13 116.25 120.76 2k92 h VAL 7 Ca -0.07 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2k92 h VAL 7 Cb 1.35 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2k92 h VAL 7 CO 0.04 0.33 0.13 0.11 0.02 0.00 0.00 177.57 178.19 2k92 h LYS 8 N 0.89 0.00 0.25 1.57 1.79 -1.31 -0.88 116.57 118.88 2k92 h LYS 8 Ca 0.19 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 2k92 h LYS 8 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2k92 h LYS 8 CO -0.00 0.00 -0.12 0.87 -1.08 0.00 0.00 179.45 179.12 2k92 h LYS 9 N 0.00 -0.33 -0.01 3.15 1.57 -1.38 -2.42 116.57 117.16 2k92 h LYS 9 Ca 0.07 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2k92 h LYS 9 Cb 0.32 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2k92 h LYS 9 CO -0.00 -0.00 -0.09 0.82 -0.57 0.00 0.00 179.45 179.60 2k92 h ILE 10 N -0.96 0.00 -1.38 1.86 2.04 -1.01 0.37 117.51 118.43 2k92 h ILE 10 Ca -0.03 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.23 2k92 h ILE 10 Cb 0.47 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2k92 h ILE 10 CO 0.06 0.00 1.06 0.40 0.00 0.00 0.00 178.15 179.67 2k92 h ILE 11 N -0.11 0.22 0.00 -0.67 1.08 -1.33 0.33 117.51 117.03 2k92 h ILE 11 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2k92 h ILE 11 Cb 0.12 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.11 2k92 h ILE 11 CO -0.07 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.00 2k92 n GLY 12 N -1.80 0.08 0.28 5.37 0.00 0.11 -1.24 105.19 108.00 2k92 n GLY 12 Ca 0.30 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.59 2k92 n GLY 12 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k92 n GLN 13 N 0.00 -0.05 0.00 1.61 0.00 0.20 0.20 117.38 119.33 2k92 n GLN 13 Ca 0.00 1.22 0.00 0.00 -0.00 0.00 0.00 57.00 58.22 2k92 n GLN 13 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 30.24 28.07 2k92 n GLN 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2k92 n GLN 14 N -5.00 0.00 0.06 3.69 1.13 0.11 -4.33 117.38 113.05 2k92 n GLN 14 Ca 0.32 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.24 2k92 n GLN 14 Cb 1.10 -0.50 -0.09 0.00 0.11 0.00 0.00 30.24 30.86 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 -1.51 0.00 1.08 3.38 -0.74 -3.48 115.31 114.04 2k92 h LEU 15 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k92 h LEU 15 Cb 0.00 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2k92 h LEU 15 CO 0.00 -0.49 0.00 0.61 0.09 0.00 0.00 178.44 178.65 2k92 n GLY 16 N -1.43 0.95 3.19 0.83 0.00 0.52 -4.99 105.19 104.27 2k92 n GLY 16 Ca -0.07 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.07 0.82 1.61 1.01 -1.24 -5.03 120.40 117.64 2k92 s VAL 17 Ca 0.00 -1.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.02 2k92 s VAL 17 Cb 0.00 -2.14 0.13 0.00 0.00 0.00 0.00 36.38 34.38 2k92 s VAL 17 CO 0.00 -0.32 1.14 -0.54 0.00 0.00 0.00 175.10 175.38 2k92 s LYS 18 N -4.07 1.44 0.00 2.72 3.01 -1.26 -4.78 119.74 116.81 2k92 s LYS 18 Ca 0.27 -0.50 0.29 0.00 -1.01 0.00 0.00 55.97 55.01 2k92 s LYS 18 Cb 0.07 -2.07 1.24 0.00 -1.01 0.00 0.00 37.83 36.06 2k92 s LYS 18 CO 0.04 -1.78 1.87 0.00 0.51 0.00 0.00 175.35 176.00 2k92 n GLN 19 N -3.26 0.58 -0.04 1.68 10.64 -1.26 -3.08 117.38 122.64 2k92 n GLN 19 Ca 0.13 -0.18 0.03 0.00 -1.83 0.00 0.00 57.00 55.15 2k92 n GLN 19 Cb 0.60 -1.50 0.05 0.00 -0.86 0.00 0.00 30.24 28.54 2k92 n GLN 19 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2k92 n GLU 20 N -1.06 1.12 0.00 2.61 0.00 -1.26 -4.44 120.64 117.61 2k92 n GLU 20 Ca 0.14 -1.26 0.00 0.00 0.00 0.00 0.00 57.16 56.04 2k92 n GLU 20 Cb 0.28 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 30.59 2k92 n GLU 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2k92 n GLU 21 N 0.23 2.12 -3.72 3.44 1.02 -1.18 -4.91 120.64 117.64 2k92 n GLU 21 Ca 0.05 -1.26 -0.37 0.00 -0.02 0.00 0.00 57.16 55.56 2k92 n GLU 21 Cb 0.23 -0.97 -0.11 0.00 -0.02 0.00 0.00 31.44 30.58 2k92 n GLU 21 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k92 s VAL 22 N -0.76 3.55 0.00 2.62 1.01 -1.18 -4.80 120.40 120.84 2k92 s VAL 22 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.73 2k92 s VAL 22 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2k92 s VAL 22 CO 0.00 -0.76 0.00 0.35 0.00 0.00 0.00 175.10 174.69 2k92 n THR 23 N 4.35 0.00 -0.10 3.92 -2.24 -1.26 -5.01 114.28 113.94 2k92 n THR 23 Ca -0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2k92 n THR 23 Cb 0.40 -0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 2k92 n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k92 n ASN 24 N -1.16 0.53 -2.70 3.42 3.02 -1.26 -4.41 115.26 112.71 2k92 n ASN 24 Ca 0.00 -0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.20 2k92 n ASN 24 Cb 0.00 0.59 0.03 0.00 -0.61 0.00 0.00 39.78 39.79 2k92 n ASN 24 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k92 n ASN 25 N -2.89 6.35 -4.12 6.41 4.13 -1.26 -3.05 115.26 120.83 2k92 n ASN 25 Ca -0.35 -3.79 -0.34 0.00 1.68 0.00 0.00 54.58 51.78 2k92 n ASN 25 Cb 1.11 -0.80 -0.13 0.00 -1.54 0.00 0.00 39.78 38.42 2k92 n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k92 s ALA 26 N -3.84 2.95 -0.83 5.41 0.00 -1.26 -5.00 121.76 119.18 2k92 s ALA 26 Ca 0.51 -2.21 -0.19 0.00 0.00 0.00 0.00 51.96 50.07 2k92 s ALA 26 Cb 0.43 -2.11 -0.13 0.00 0.00 0.00 0.00 23.12 21.31 2k92 s ALA 26 CO -0.30 -1.55 1.97 0.43 0.00 0.00 0.00 175.76 176.31 2k92 n SER 27 N 4.53 2.94 -0.25 0.00 7.64 -1.26 -3.71 113.62 123.51 2k92 n SER 27 Ca -0.06 -2.64 0.12 0.00 1.01 0.00 0.00 58.87 57.31 2k92 n SER 27 Cb 0.42 -1.14 0.24 0.00 -1.01 0.00 0.00 64.21 62.71 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 6.92 0.50 0.00 1.43 3.01 -1.25 0.51 117.46 128.59 2k92 n PHE 28 Ca 0.49 0.88 0.00 0.00 1.01 0.00 0.00 57.45 59.83 2k92 n PHE 28 Cb 0.36 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.76 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 -4.97 0.00 -0.01 -4.37 0.24 -1.26 0.11 118.33 108.06 2k92 n VAL 29 Ca 0.18 1.44 -0.01 0.00 -2.04 0.00 0.00 64.34 63.91 2k92 n VAL 29 Cb 0.60 -1.95 -0.00 0.00 -1.47 0.00 0.00 33.84 31.02 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 -0.05 -0.84 7.34 4.22 -1.10 -3.13 114.58 121.01 2k92 h GLU 30 Ca 0.00 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.52 2k92 h GLU 30 Cb 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 2k92 h GLU 30 CO 0.00 -0.03 -0.50 -0.25 -2.18 0.00 0.00 179.01 176.05 2k92 n ASP 31 N -3.97 -0.89 0.00 1.04 9.92 0.18 -4.40 116.55 118.43 2k92 n ASP 31 Ca -0.01 1.58 0.00 0.00 -0.53 0.00 0.00 54.79 55.83 2k92 n ASP 31 Cb 0.02 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 -4.96 0.00 0.00 0.64 4.77 0.30 -4.97 117.00 112.79 2k92 n LEU 32 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2k92 n LEU 32 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2k92 n LEU 32 CO -0.13 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2k92 n GLY 33 N 5.00 -1.89 2.31 -0.72 0.00 0.26 -4.82 105.19 105.33 2k92 n GLY 33 Ca 0.00 1.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.80 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 6.46 -1.36 4.61 0.00 -1.25 -4.40 120.51 124.57 2k92 n ALA 34 Ca 0.00 -2.66 -0.23 0.00 0.00 0.00 0.00 53.44 50.55 2k92 n ALA 34 Cb 0.00 -2.25 0.15 0.00 0.00 0.00 0.00 19.45 17.35 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 1.52 4.54 0.00 0.00 -0.08 -1.26 -4.41 116.55 116.85 2k92 n ASP 35 Ca 0.48 -3.71 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 2k92 n ASP 35 Cb 0.67 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.33 2k92 n ASP 35 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2k92 n SER 36 N -1.06 0.00 -2.15 1.67 2.88 -1.26 -4.94 113.62 108.76 2k92 n SER 36 Ca 0.54 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.89 2k92 n SER 36 Cb 1.24 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.67 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 0.00 -1.69 0.00 2.46 4.77 -1.26 -4.83 117.00 116.44 2k92 n LEU 37 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2k92 n LEU 37 Cb 0.00 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.31 2k92 n LEU 37 CO 0.00 -0.46 0.02 -0.67 -1.33 0.00 0.00 177.39 174.95 2k92 n ASP 38 N -1.74 0.00 0.19 -1.43 2.03 -1.26 -3.90 116.55 110.44 2k92 n ASP 38 Ca -0.22 0.03 -0.13 0.00 0.52 0.00 0.00 54.79 55.00 2k92 n ASP 38 Cb 0.66 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.99 2k92 n ASP 38 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2k92 h THR 39 N 0.00 0.49 0.00 5.18 2.02 -1.89 -2.29 112.91 116.42 2k92 h THR 39 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2k92 h THR 39 Cb 0.00 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2k92 h THR 39 CO 0.00 0.09 0.00 0.52 0.37 0.00 0.00 175.52 176.50 2k92 n VAL 40 N -5.17 0.00 -0.34 3.16 0.31 -1.26 0.19 118.33 115.22 2k92 n VAL 40 Ca -0.10 0.68 0.01 0.00 -0.01 0.00 0.00 64.34 64.92 2k92 n VAL 40 Cb 0.28 -1.14 0.06 0.00 -0.91 0.00 0.00 33.84 32.14 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 -0.47 -0.18 -0.19 5.55 1.02 -1.25 0.12 120.64 125.24 2k92 n GLU 41 Ca 0.00 1.40 -0.05 0.00 -0.02 0.00 0.00 57.16 58.49 2k92 n GLU 41 Cb 0.00 -2.08 0.01 0.00 -0.02 0.00 0.00 31.44 29.35 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 -1.06 0.00 -4.62 6.46 -0.54 0.72 115.31 116.27 2k92 h LEU 42 Ca 0.34 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 58.32 2k92 h LEU 42 Cb 0.57 0.53 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 2k92 h LEU 42 CO -0.91 -0.29 0.00 0.52 -0.62 0.00 0.00 178.44 177.14 2k92 n VAL 43 N -5.43 0.00 -0.29 1.05 0.31 0.50 0.21 118.33 114.68 2k92 n VAL 43 Ca 0.04 1.30 -0.01 0.00 -0.01 0.00 0.00 64.34 65.66 2k92 n VAL 43 Cb 0.35 -1.84 0.06 0.00 -0.91 0.00 0.00 33.84 31.50 2k92 n VAL 43 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2k92 h MET 44 N 0.00 -0.05 0.00 5.55 2.86 -1.20 1.57 114.93 123.65 2k92 h MET 44 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k92 h MET 44 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2k92 h MET 44 CO 0.00 -0.03 0.00 0.00 1.06 0.00 0.00 176.91 177.94 2k92 n ALA 45 N -3.33 -0.26 0.02 6.32 0.00 0.20 0.21 120.51 123.67 2k92 n ALA 45 Ca 0.09 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.75 2k92 n ALA 45 Cb 0.40 0.11 0.60 0.00 0.00 0.00 0.00 19.45 20.55 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 0.02 0.00 3.38 0.29 0.50 115.31 119.51 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 -0.03 -0.82 1.13 4.39 0.36 -3.31 114.58 116.30 2k92 h GLU 47 Ca 0.27 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.05 2k92 h GLU 47 Cb 1.77 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 30.36 2k92 h GLU 47 CO -0.00 0.71 0.48 0.93 -1.16 0.00 0.00 179.01 179.98 2k92 h GLU 48 N -0.87 0.82 -0.81 2.33 4.39 0.74 0.17 114.58 121.35 2k92 h GLU 48 Ca -0.00 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.78 2k92 h GLU 48 Cb 0.75 -0.19 -0.14 0.00 -0.10 0.00 0.00 28.75 29.08 2k92 h GLU 48 CO 0.00 0.55 -0.37 1.49 -1.16 0.00 0.00 179.01 179.52 2k92 h GLU 49 N 0.85 -0.07 0.00 2.33 4.81 -1.12 -3.41 114.58 117.97 2k92 h GLU 49 Ca 0.38 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 2k92 h GLU 49 Cb 0.27 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2k92 h GLU 49 CO -0.21 -0.05 0.00 1.19 -0.73 0.00 0.00 179.01 179.21 2k92 n PHE 50 N -5.45 0.00 0.00 0.92 3.01 -0.86 -5.13 117.46 109.95 2k92 n PHE 50 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2k92 n PHE 50 Cb 0.38 0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 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 -1.83 0.00 -3.15 4.37 -0.08 -0.01 -5.02 116.55 110.83 2k92 n ASP 51 Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 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 -0.89 0.12 0.00 0.00 177.20 176.43 2k92 s THR 52 N 0.00 -0.11 0.17 5.18 2.01 -1.26 -5.04 115.64 116.59 2k92 s THR 52 Ca 0.00 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 2k92 s THR 52 Cb 0.00 -0.13 -0.10 0.00 0.01 0.00 0.00 72.50 72.28 2k92 s THR 52 CO 0.00 0.00 1.51 -1.83 -0.69 0.00 0.00 174.62 173.61 2k92 s GLU 53 N 2.98 4.25 -0.34 4.92 -1.05 -1.26 -4.45 118.70 123.75 2k92 s GLU 53 Ca 0.30 2.29 -0.04 0.00 -0.15 0.00 0.00 54.97 57.37 2k92 s GLU 53 Cb -0.00 -3.17 0.05 0.00 -0.44 0.00 0.00 34.13 30.57 2k92 s GLU 53 CO -0.22 -0.54 0.09 -1.50 0.95 0.00 0.00 175.26 174.04 2k92 s ILE 54 N 0.95 3.44 0.37 1.83 1.10 -1.26 -5.09 121.20 122.55 2k92 s ILE 54 Ca 0.67 -1.36 -0.25 0.00 -0.51 0.00 0.00 60.65 59.20 2k92 s ILE 54 Cb -0.42 -3.02 -0.09 0.00 0.15 0.00 0.00 42.46 39.08 2k92 s ILE 54 CO 0.33 -0.24 1.06 -2.16 -2.11 0.00 0.00 174.94 171.82 2k92 s PRO 55 N 1.31 4.26 0.21 3.50 0.04 -1.26 -4.75 135.00 138.32 2k92 s PRO 55 Ca -0.02 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 2k92 s PRO 55 Cb -0.20 -2.68 0.31 0.00 0.04 0.00 0.00 34.50 31.96 2k92 s PRO 55 CO 0.00 -0.07 1.70 0.38 0.04 0.00 0.00 177.00 179.05 2k92 h ASP 56 N 2.78 -0.03 -0.13 6.66 2.03 -1.97 1.97 116.42 127.73 2k92 h ASP 56 Ca -0.48 0.12 0.04 0.00 -0.73 0.00 0.00 57.03 55.98 2k92 h ASP 56 Cb 1.21 0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.88 2k92 h ASP 56 CO 0.63 -0.01 0.49 -0.33 -1.03 0.00 0.00 179.24 178.99 2k92 h GLU 57 N 0.24 0.00 0.00 4.15 4.39 -1.99 1.70 114.58 123.07 2k92 h GLU 57 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2k92 h GLU 57 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2k92 h GLU 57 CO -0.42 0.00 -1.07 -1.91 -1.16 0.00 0.00 179.01 174.45 2k92 n GLU 58 N -3.02 1.38 -0.43 2.33 2.13 0.26 -4.45 120.64 118.85 2k92 n GLU 58 Ca 0.01 -0.05 0.10 0.00 0.66 0.00 0.00 57.16 57.88 2k92 n GLU 58 Cb 0.56 -1.08 0.31 0.00 0.27 0.00 0.00 31.44 31.50 2k92 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k92 n ALA 59 N -1.60 2.62 -0.11 4.31 0.00 0.60 -4.24 120.51 122.09 2k92 n ALA 59 Ca -0.01 -1.42 -0.14 0.00 0.00 0.00 0.00 53.44 51.87 2k92 n ALA 59 Cb 0.17 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 2k92 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k92 n GLU 60 N 1.24 0.65 0.00 0.00 2.13 0.53 -4.25 120.64 120.94 2k92 n GLU 60 Ca 0.23 0.11 0.10 0.00 0.66 0.00 0.00 57.16 58.26 2k92 n GLU 60 Cb 0.70 -1.45 0.55 0.00 0.27 0.00 0.00 31.44 31.52 2k92 n GLU 60 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2k92 n LYS 61 N -3.07 0.37 0.14 5.31 2.85 -1.26 -3.19 118.16 119.31 2k92 n LYS 61 Ca -0.38 0.07 -0.10 0.00 -1.05 0.00 0.00 58.31 56.85 2k92 n LYS 61 Cb 0.94 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.77 2k92 n LYS 61 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 2k92 h ILE 62 N 0.00 0.38 -2.03 0.58 3.07 -1.75 -3.45 117.51 114.31 2k92 h ILE 62 Ca 0.00 -0.79 -0.15 0.00 1.55 0.00 0.00 64.86 65.47 2k92 h ILE 62 Cb 0.16 0.63 -0.05 0.00 -0.27 0.00 0.00 36.82 37.29 2k92 h ILE 62 CO 0.00 0.09 -0.14 0.35 -1.05 0.00 0.00 178.15 177.40 2k92 n THR 63 N -5.06 -0.05 -3.68 0.16 -2.24 -1.19 -4.78 114.28 97.44 2k92 n THR 63 Ca -0.08 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 2k92 n THR 63 Cb 0.24 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2k92 n THR 63 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2k92 n THR 64 N -1.69 0.00 -0.10 4.28 -2.24 -1.26 -3.84 114.28 109.42 2k92 n THR 64 Ca -0.07 -0.89 -0.16 0.00 -2.27 0.00 0.00 64.05 60.66 2k92 n THR 64 Cb 0.28 0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.37 1.50 0.02 2.28 0.31 -1.24 -4.44 118.33 116.39 2k92 n VAL 65 Ca -0.03 -0.65 -0.10 0.00 -0.01 0.00 0.00 64.34 63.54 2k92 n VAL 65 Cb 0.40 -1.22 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 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 0.01 -0.27 -0.93 5.55 4.15 -1.78 -2.44 115.11 119.39 2k92 h GLN 66 Ca -0.55 0.02 0.09 0.00 0.77 0.00 0.00 58.65 58.98 2k92 h GLN 66 Cb 2.00 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 29.63 2k92 h GLN 66 CO -0.04 -0.18 -0.53 0.00 -1.93 0.00 0.00 178.83 176.15 2k92 n ALA 67 N -2.63 -0.55 -0.30 3.38 0.00 -1.26 0.21 120.51 119.36 2k92 n ALA 67 Ca -0.04 0.81 0.14 0.00 0.00 0.00 0.00 53.44 54.35 2k92 n ALA 67 Cb 0.25 -0.16 0.31 0.00 0.00 0.00 0.00 19.45 19.85 2k92 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k92 h ALA 68 N 0.55 1.33 0.12 0.00 0.00 -1.66 1.68 119.26 121.28 2k92 h ALA 68 Ca 0.17 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2k92 h ALA 68 Cb 0.40 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k92 h ALA 68 CO -0.88 -0.50 -0.06 0.82 0.00 0.00 0.00 179.25 178.62 2k92 h ILE 69 N 0.18 0.00 -0.90 0.00 2.04 0.27 0.76 117.51 119.87 2k92 h ILE 69 Ca 0.58 -0.08 0.26 0.00 1.00 0.00 0.00 64.86 66.62 2k92 h ILE 69 Cb 1.19 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2k92 h ILE 69 CO -0.69 0.00 0.93 -0.78 0.00 0.00 0.00 178.15 177.61 2k92 h ASP 70 N -0.25 0.00 0.10 1.72 -0.00 0.10 1.40 116.42 119.50 2k92 h ASP 70 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.79 2k92 h ASP 70 Cb 0.13 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.48 2k92 h ASP 70 CO 0.03 0.00 -0.95 0.22 -0.00 0.00 0.00 179.24 178.54 2k92 h TYR 71 N 0.00 0.76 0.00 0.28 3.20 0.26 0.50 116.97 121.97 2k92 h TYR 71 Ca 0.43 -0.49 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2k92 h TYR 71 Cb 2.28 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 40.48 2k92 h TYR 71 CO 0.00 1.34 -0.37 0.82 -1.64 0.00 0.00 178.16 178.31 2k92 h ILE 72 N -0.03 0.87 0.01 1.81 1.08 0.41 -2.02 117.51 119.63 2k92 h ILE 72 Ca -0.15 -1.50 -0.29 0.00 -0.39 0.00 0.00 64.86 62.54 2k92 h ILE 72 Cb 1.68 1.92 -0.04 0.00 -3.07 0.00 0.00 36.82 37.30 2k92 h ILE 72 CO 0.18 0.36 -1.64 0.78 -0.69 0.00 0.00 178.15 177.15 2k92 h ASN 73 N 0.00 0.03 -0.16 1.72 2.35 -0.06 -3.18 115.58 116.28 2k92 h ASN 73 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2k92 h ASN 73 Cb 0.89 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2k92 h ASN 73 CO 0.05 1.06 0.00 0.61 -1.65 0.00 0.00 177.43 177.50 2k92 n GLY 74 N 1.56 -0.19 0.27 2.83 0.00 0.17 -4.29 105.19 105.53 2k92 n GLY 74 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.03 0.00 -1.44 1.61 -0.00 -0.78 -4.94 115.22 109.64 2k92 n HIS 75 Ca 0.09 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.34 2k92 n HIS 75 Cb 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.03 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 -1.85 0.13 -0.48 1.57 1.13 -1.20 -5.11 117.38 111.57 2k92 n GLN 76 Ca 0.00 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2k92 n GLN 76 Cb 0.00 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.66 2k92 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62