#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 5.32 -0.05 0.44 5.66 -1.26 -4.33 114.28 120.06 2k92 n THR 2 Ca 0.00 -4.60 -0.11 0.00 -3.05 0.00 0.00 64.05 56.29 2k92 n THR 2 Cb 0.00 -2.02 -0.04 0.00 -1.55 0.00 0.00 70.33 66.73 2k92 n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k92 n ILE 3 N 1.57 0.75 -0.10 1.09 0.00 -1.26 -4.57 119.36 116.84 2k92 n ILE 3 Ca 0.58 -0.07 -0.20 0.00 0.00 0.00 0.00 62.75 63.05 2k92 n ILE 3 Cb 0.26 -1.70 -0.10 0.00 0.00 0.00 0.00 39.64 38.10 2k92 n ILE 3 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2k92 n GLU 4 N -3.57 0.55 -0.34 9.51 0.28 -1.26 -2.52 120.64 123.30 2k92 n GLU 4 Ca -0.19 0.57 0.35 0.00 -0.16 0.00 0.00 57.16 57.72 2k92 n GLU 4 Cb 0.58 -1.74 0.73 0.00 1.43 0.00 0.00 31.44 32.44 2k92 n GLU 4 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 2k92 h GLU 5 N -1.00 0.03 0.15 3.44 4.11 -1.89 0.40 114.58 119.82 2k92 h GLU 5 Ca -0.33 -0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.75 2k92 h GLU 5 Cb 1.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k92 h GLU 5 CO -0.20 0.02 -1.84 0.00 0.07 0.00 0.00 179.01 177.06 2k92 h ARG 6 N 0.03 0.32 -0.87 1.06 3.08 -1.81 -3.38 114.38 112.82 2k92 h ARG 6 Ca 0.58 -0.55 0.11 0.00 0.07 0.00 0.00 59.98 60.19 2k92 h ARG 6 Cb 2.26 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 32.38 2k92 h ARG 6 CO -0.04 1.24 -0.48 0.28 -1.07 0.00 0.00 179.97 179.90 2k92 h VAL 7 N 0.09 0.02 -1.00 2.04 2.07 0.08 1.48 116.25 121.03 2k92 h VAL 7 Ca -0.37 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.54 2k92 h VAL 7 Cb 2.07 0.02 -0.18 0.00 -1.52 0.00 0.00 31.29 31.68 2k92 h VAL 7 CO 0.14 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.33 2k92 h LYS 8 N -0.07 0.05 -0.09 1.57 6.56 -1.62 1.53 116.57 124.49 2k92 h LYS 8 Ca 0.23 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.79 2k92 h LYS 8 Cb 0.52 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2k92 h LYS 8 CO -0.88 0.03 -0.03 -0.22 -2.06 0.00 0.00 179.45 176.29 2k92 h LYS 9 N 0.05 0.18 -1.00 3.15 3.64 0.18 1.07 116.57 123.84 2k92 h LYS 9 Ca 0.81 -0.07 0.19 0.00 -1.27 0.00 0.00 60.65 60.30 2k92 h LYS 9 Cb 2.07 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 33.78 2k92 h LYS 9 CO -0.76 0.51 0.61 0.82 -2.27 0.00 0.00 179.45 178.36 2k92 h ILE 10 N -0.16 0.72 0.00 2.00 2.04 0.35 1.86 117.51 124.32 2k92 h ILE 10 Ca 0.02 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 2k92 h ILE 10 Cb 0.44 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2k92 h ILE 10 CO 0.01 0.14 -0.82 0.40 0.00 0.00 0.00 178.15 177.87 2k92 h ILE 11 N 0.75 0.48 -0.59 -0.67 1.08 -0.48 -0.86 117.51 117.23 2k92 h ILE 11 Ca 0.56 -1.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 2k92 h ILE 11 Cb 0.90 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 2k92 h ILE 11 CO -0.35 0.27 0.00 0.61 -0.69 0.00 0.00 178.15 177.99 2k92 n GLY 12 N 1.26 2.72 1.78 5.37 0.00 0.37 -3.80 105.19 112.88 2k92 n GLY 12 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2k92 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k92 n GLN 13 N 0.86 0.00 0.10 1.61 1.13 0.58 -4.16 117.38 117.49 2k92 n GLN 13 Ca 0.25 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.27 2k92 n GLN 13 Cb 0.99 -0.11 -0.02 0.00 0.11 0.00 0.00 30.24 31.21 2k92 n GLN 13 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2k92 h GLN 14 N 0.00 -0.26 -0.80 -1.09 -0.00 -1.30 -3.32 115.11 108.35 2k92 h GLN 14 Ca 0.00 0.02 0.11 0.00 -0.00 0.00 0.00 58.65 58.78 2k92 h GLN 14 Cb 0.22 0.06 -0.13 0.00 0.00 0.00 0.00 27.48 27.63 2k92 h GLN 14 CO 0.00 -0.17 -0.43 -0.07 0.00 0.00 0.00 178.83 178.16 2k92 h LEU 15 N -0.46 -1.54 0.00 -2.39 3.38 -1.69 -3.46 115.31 109.14 2k92 h LEU 15 Ca -0.03 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2k92 h LEU 15 Cb 0.20 0.74 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k92 h LEU 15 CO 0.04 -0.30 0.00 0.61 0.09 0.00 0.00 178.44 178.89 2k92 n GLY 16 N -1.41 0.81 2.53 0.83 0.00 -1.25 -4.84 105.19 101.87 2k92 n GLY 16 Ca 0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.05 1.61 0.24 -1.26 -5.01 118.33 111.86 2k92 n VAL 17 Ca 0.00 -0.76 -0.28 0.00 -2.04 0.00 0.00 64.34 61.26 2k92 n VAL 17 Cb 0.00 0.69 0.15 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.13 1.10 -0.70 7.34 3.01 -1.26 -4.47 119.74 122.63 2k92 s LYS 18 Ca 0.12 -0.43 0.01 0.00 -1.01 0.00 0.00 55.97 54.66 2k92 s LYS 18 Cb -0.03 -1.96 0.37 0.00 -1.01 0.00 0.00 37.83 35.21 2k92 s LYS 18 CO 0.09 -2.07 1.65 0.00 0.51 0.00 0.00 175.35 175.53 2k92 n GLN 19 N -3.50 3.16 0.00 1.68 0.00 -1.26 -4.39 117.38 113.06 2k92 n GLN 19 Ca 0.14 -3.99 0.00 0.00 0.00 0.00 0.00 57.00 53.15 2k92 n GLN 19 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 28.57 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 -0.48 0.00 0.09 2.61 0.28 -1.26 -4.85 120.64 117.03 2k92 n GLU 20 Ca 0.47 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.58 2k92 n GLU 20 Cb 0.39 -0.09 0.44 0.00 1.43 0.00 0.00 31.44 33.61 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 -2.12 0.15 -2.91 3.44 -0.58 -1.26 -4.48 120.64 112.87 2k92 n GLU 21 Ca 0.00 0.36 -0.43 0.00 -0.42 0.00 0.00 57.16 56.67 2k92 n GLU 21 Cb 0.00 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.05 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 -3.22 4.51 0.03 2.62 1.01 -1.26 -4.91 120.40 119.18 2k92 s VAL 22 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2k92 s VAL 22 Cb 0.10 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2k92 s VAL 22 CO 0.37 -1.02 0.02 0.35 0.00 0.00 0.00 175.10 174.83 2k92 n THR 23 N 6.07 0.00 -0.85 3.92 -2.24 -1.26 -4.96 114.28 114.96 2k92 n THR 23 Ca 0.00 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 2k92 n THR 23 Cb 0.47 -0.46 0.24 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.97 4.25 -0.92 3.42 0.23 -1.26 -3.94 115.26 115.07 2k92 n ASN 24 Ca -0.00 -3.19 -0.05 0.00 -0.53 0.00 0.00 54.58 50.81 2k92 n ASN 24 Cb 0.04 -0.75 -0.05 0.00 -2.08 0.00 0.00 39.78 36.94 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 -0.37 -0.78 -4.26 0.53 2.85 -1.26 -4.44 115.26 107.52 2k92 n ASN 25 Ca 0.42 -1.56 -0.41 0.00 -0.11 0.00 0.00 54.58 52.92 2k92 n ASN 25 Cb 1.36 0.24 -0.09 0.00 1.24 0.00 0.00 39.78 42.54 2k92 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k92 s ALA 26 N 0.00 3.38 -0.81 5.20 0.00 -1.25 -4.99 121.76 123.29 2k92 s ALA 26 Ca 0.00 -2.32 -0.26 0.00 0.00 0.00 0.00 51.96 49.39 2k92 s ALA 26 Cb 0.01 -2.81 -0.22 0.00 0.00 0.00 0.00 23.12 20.10 2k92 s ALA 26 CO -0.00 -1.78 1.91 0.43 0.00 0.00 0.00 175.76 176.32 2k92 n SER 27 N 4.97 1.93 -0.26 0.00 7.64 -1.26 -3.97 113.62 122.67 2k92 n SER 27 Ca -0.10 -2.58 0.22 0.00 1.01 0.00 0.00 58.87 57.42 2k92 n SER 27 Cb 0.42 -1.35 0.41 0.00 -1.01 0.00 0.00 64.21 62.67 2k92 n SER 27 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2k92 n PHE 28 N 13.86 0.82 0.00 1.43 -0.00 -1.26 0.20 117.46 132.51 2k92 n PHE 28 Ca 0.45 0.94 0.00 0.00 -0.00 0.00 0.00 57.45 58.84 2k92 n PHE 28 Cb 0.45 -1.29 0.00 0.00 -0.00 0.00 0.00 39.48 38.64 2k92 n PHE 28 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2k92 n VAL 29 N -4.87 0.00 -0.07 -2.13 0.24 -1.26 0.56 118.33 110.80 2k92 n VAL 29 Ca 0.27 1.13 -0.22 0.00 -2.04 0.00 0.00 64.34 63.48 2k92 n VAL 29 Cb 0.91 -1.62 -0.12 0.00 -1.47 0.00 0.00 33.84 31.54 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 -1.54 0.64 -0.22 7.34 0.00 -0.37 -2.93 120.64 123.56 2k92 n GLU 30 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 57.16 57.53 2k92 n GLU 30 Cb 0.00 -1.71 -0.05 0.00 0.00 0.00 0.00 31.44 29.68 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 -4.05 -0.56 0.00 4.31 -0.08 0.53 -4.40 116.55 112.30 2k92 n ASP 31 Ca -0.34 1.37 0.00 0.00 -1.51 0.00 0.00 54.79 54.31 2k92 n ASP 31 Cb 0.84 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.96 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 -4.20 0.00 0.00 -2.67 4.77 -0.74 -4.95 117.00 109.21 2k92 n LEU 32 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k92 n LEU 32 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2k92 n LEU 32 CO -0.09 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2k92 n GLY 33 N 3.66 -1.60 2.75 -0.72 0.00 0.19 -4.93 105.19 104.54 2k92 n GLY 33 Ca 0.00 0.99 -0.37 0.00 0.00 0.00 0.00 46.02 46.64 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 5.79 -1.16 4.61 0.00 -1.06 -4.61 120.51 124.08 2k92 n ALA 34 Ca 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.94 2k92 n ALA 34 Cb 0.00 -1.69 0.25 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.24 3.67 -3.20 0.00 -0.08 -1.26 -4.51 116.55 110.94 2k92 n ASP 35 Ca 0.44 -3.32 0.04 0.00 -1.51 0.00 0.00 54.79 50.45 2k92 n ASP 35 Cb 0.32 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 43.12 2k92 n ASP 35 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2k92 s SER 36 N -1.89 -0.24 -1.27 1.67 0.15 -1.26 -4.93 113.70 105.92 2k92 s SER 36 Ca 0.47 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2k92 s SER 36 Cb 0.39 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.94 2k92 s SER 36 CO 0.07 -0.05 0.00 0.18 1.20 0.00 0.00 173.24 174.65 2k92 n LEU 37 N 5.08 -0.89 0.00 3.45 4.32 -1.26 -4.87 117.00 122.83 2k92 n LEU 37 Ca -0.08 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2k92 n LEU 37 Cb 0.54 -1.87 0.00 0.00 -1.62 0.00 0.00 43.42 40.48 2k92 n LEU 37 CO -0.09 -0.62 0.08 -0.67 -1.22 0.00 0.00 177.39 174.87 2k92 n ASP 38 N 0.05 0.00 0.05 -1.43 4.64 -1.26 -3.44 116.55 115.15 2k92 n ASP 38 Ca -0.12 0.17 -0.04 0.00 -1.38 0.00 0.00 54.79 53.42 2k92 n ASP 38 Cb 0.40 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.46 2k92 n ASP 38 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2k92 h THR 39 N 0.00 0.01 -0.04 5.18 1.35 -1.91 -1.89 112.91 115.60 2k92 h THR 39 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2k92 h THR 39 Cb 0.00 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.44 2k92 h THR 39 CO 0.00 0.00 -0.03 0.52 -0.25 0.00 0.00 175.52 175.77 2k92 n VAL 40 N -4.94 -0.03 0.25 6.82 0.31 -1.26 0.17 118.33 119.65 2k92 n VAL 40 Ca -0.03 0.98 -0.16 0.00 -0.01 0.00 0.00 64.34 65.12 2k92 n VAL 40 Cb 0.10 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 31.66 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 -0.72 -0.97 5.55 3.07 -1.72 -2.17 114.58 117.61 2k92 h GLU 41 Ca 0.01 0.05 0.27 0.00 -0.50 0.00 0.00 59.36 59.19 2k92 h GLU 41 Cb 0.02 0.16 -0.18 0.00 -0.84 0.00 0.00 28.75 27.91 2k92 h GLU 41 CO -0.04 -0.48 0.02 -0.11 -1.40 0.00 0.00 179.01 177.00 2k92 n LEU 42 N -5.46 -0.11 -0.30 1.33 -0.00 0.56 0.48 117.00 113.50 2k92 n LEU 42 Ca -0.10 1.66 -0.12 0.00 -0.00 0.00 0.00 56.01 57.44 2k92 n LEU 42 Cb 0.36 -0.61 -0.10 0.00 -0.00 0.00 0.00 43.42 43.07 2k92 n LEU 42 CO 0.30 -1.68 0.49 0.58 -0.00 0.00 0.00 177.39 177.08 2k92 h VAL 43 N 0.00 0.00 -0.35 1.96 2.07 0.24 0.88 116.25 121.05 2k92 h VAL 43 Ca 0.59 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.19 2k92 h VAL 43 Cb 1.23 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 2k92 h VAL 43 CO -0.92 0.00 -0.11 0.24 0.02 0.00 0.00 177.57 176.81 2k92 h MET 44 N -0.17 -0.03 0.00 1.57 2.86 0.01 0.72 114.93 119.90 2k92 h MET 44 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2k92 h MET 44 Cb 0.49 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k92 h MET 44 CO -0.79 -0.02 0.00 0.00 1.06 0.00 0.00 176.91 177.16 2k92 n ALA 45 N -2.67 -0.36 0.07 6.32 0.00 0.41 0.18 120.51 124.46 2k92 n ALA 45 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.65 2k92 n ALA 45 Cb 0.21 0.09 0.60 0.00 0.00 0.00 0.00 19.45 20.35 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 0.05 0.00 3.38 0.76 0.27 115.31 119.77 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 -0.03 -0.33 0.09 0.00 0.00 178.44 178.17 2k92 h GLU 47 N 0.00 -0.07 -1.06 1.13 4.39 0.17 -3.17 114.58 115.97 2k92 h GLU 47 Ca 0.23 0.00 0.28 0.00 0.34 0.00 0.00 59.36 60.22 2k92 h GLU 47 Cb 1.64 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.23 2k92 h GLU 47 CO -0.00 0.45 0.71 0.93 -1.16 0.00 0.00 179.01 179.94 2k92 h GLU 48 N -0.95 0.24 0.00 2.33 4.39 0.55 0.94 114.58 122.08 2k92 h GLU 48 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k92 h GLU 48 Cb 0.55 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2k92 h GLU 48 CO 0.01 0.16 0.00 -1.91 -1.16 0.00 0.00 179.01 176.11 2k92 n GLU 49 N -4.46 0.00 -0.03 2.33 2.13 -0.65 -4.64 120.64 115.31 2k92 n GLU 49 Ca 0.24 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.93 2k92 n GLU 49 Cb 0.98 -0.45 -0.14 0.00 0.27 0.00 0.00 31.44 32.10 2k92 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2k92 n PHE 50 N -0.04 0.84 -1.01 4.31 3.01 -1.19 -5.05 117.46 118.33 2k92 n PHE 50 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.71 2k92 n PHE 50 Cb 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 39.48 38.34 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 -3.16 -1.35 -0.09 4.37 -0.08 0.32 -5.03 116.55 111.54 2k92 n ASP 51 Ca -0.27 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.02 2k92 n ASP 51 Cb 1.06 -0.67 0.02 0.00 2.34 0.00 0.00 41.12 43.86 2k92 n ASP 51 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2k92 n THR 52 N -0.32 0.52 -2.82 5.18 5.66 -1.26 -5.01 114.28 116.24 2k92 n THR 52 Ca 0.00 -0.57 -0.27 0.00 -3.05 0.00 0.00 64.05 60.16 2k92 n THR 52 Cb 0.00 0.62 0.03 0.00 -1.55 0.00 0.00 70.33 69.43 2k92 n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k92 n GLU 53 N -0.32 -1.32 -1.41 1.09 0.00 -1.26 -4.49 120.64 112.93 2k92 n GLU 53 Ca 0.02 1.00 -0.55 0.00 0.00 0.00 0.00 57.16 57.63 2k92 n GLU 53 Cb 0.48 -1.40 -0.09 0.00 0.00 0.00 0.00 31.44 30.43 2k92 n GLU 53 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 2k92 n ILE 54 N -0.03 0.13 -2.52 3.84 0.00 -1.26 -4.87 119.36 114.64 2k92 n ILE 54 Ca -0.06 -0.15 -0.38 0.00 0.00 0.00 0.00 62.75 62.17 2k92 n ILE 54 Cb 0.49 -1.20 -0.04 0.00 0.00 0.00 0.00 39.64 38.89 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 5.83 4.29 0.09 9.51 0.04 -1.26 -4.81 135.00 148.70 2k92 s PRO 55 Ca 1.12 1.59 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 2k92 s PRO 55 Cb -1.10 -2.72 -0.13 0.00 0.04 0.00 0.00 34.50 30.59 2k92 s PRO 55 CO 0.57 -0.05 1.67 0.22 0.04 0.00 0.00 177.00 179.45 2k92 h ASP 56 N 2.85 -0.46 -1.81 6.66 -0.00 -1.95 1.70 116.42 123.42 2k92 h ASP 56 Ca -0.48 0.04 0.53 0.00 -0.00 0.00 0.00 57.03 57.12 2k92 h ASP 56 Cb 1.21 0.15 -0.08 0.00 -0.00 0.00 0.00 39.33 40.62 2k92 h ASP 56 CO 0.64 -0.27 1.30 -1.84 -0.00 0.00 0.00 179.24 179.06 2k92 n GLU 57 N -5.30 -0.00 -0.10 0.28 0.28 -1.26 0.14 120.64 114.68 2k92 n GLU 57 Ca -0.09 1.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.78 2k92 n GLU 57 Cb 0.22 -2.31 -0.10 0.00 1.43 0.00 0.00 31.44 30.68 2k92 n GLU 57 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2k92 n GLU 58 N -3.80 0.58 0.22 3.44 2.13 -0.48 -3.82 120.64 118.92 2k92 n GLU 58 Ca 0.41 0.11 0.15 0.00 0.66 0.00 0.00 57.16 58.49 2k92 n GLU 58 Cb 1.85 -1.41 0.81 0.00 0.27 0.00 0.00 31.44 32.96 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 0.06 1.82 -0.02 4.31 0.00 0.86 1.38 119.26 127.67 2k92 h ALA 59 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k92 h ALA 59 Cb 1.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2k92 h ALA 59 CO -0.06 -0.18 -0.24 -1.91 0.00 0.00 0.00 179.25 176.85 2k92 n GLU 60 N -4.01 1.53 -0.00 0.00 2.13 0.37 -3.78 120.64 116.89 2k92 n GLU 60 Ca 0.00 -1.18 0.04 0.00 0.66 0.00 0.00 57.16 56.69 2k92 n GLU 60 Cb 0.23 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.42 2k92 n GLU 60 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k92 n LYS 61 N 0.29 3.80 -0.08 5.31 4.76 0.20 -4.61 118.16 127.83 2k92 n LYS 61 Ca 0.12 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.43 2k92 n LYS 61 Cb 0.47 -0.94 -0.09 0.00 -1.84 0.00 0.00 35.03 32.63 2k92 n LYS 61 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 2k92 h ILE 62 N 0.00 1.03 -3.81 -0.18 3.07 0.14 -3.46 117.51 114.30 2k92 h ILE 62 Ca 0.00 -1.92 -0.02 0.00 1.55 0.00 0.00 64.86 64.47 2k92 h ILE 62 Cb 0.22 2.10 -0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2k92 h ILE 62 CO 0.00 0.35 -0.02 0.35 -1.05 0.00 0.00 178.15 177.78 2k92 n THR 63 N -4.59 -0.03 -3.79 0.16 -2.24 -1.25 -4.71 114.28 97.84 2k92 n THR 63 Ca -0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2k92 n THR 63 Cb 0.44 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.69 0.01 -0.14 4.28 -4.23 -1.26 -3.98 115.64 108.63 2k92 s THR 64 Ca 0.00 -0.88 0.16 0.00 -1.18 0.00 0.00 61.69 59.80 2k92 s THR 64 Cb 0.00 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 72.03 2k92 s THR 64 CO 0.00 -0.05 1.09 0.58 -0.54 0.00 0.00 174.62 175.70 2k92 h VAL 65 N 2.13 0.63 0.09 2.29 2.07 -1.84 -3.30 116.25 118.31 2k92 h VAL 65 Ca -0.26 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.21 2k92 h VAL 65 Cb 1.26 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2k92 h VAL 65 CO 0.32 0.36 -0.04 -0.61 0.02 0.00 0.00 177.57 177.62 2k92 h GLN 66 N 0.00 -0.11 -0.96 1.57 5.75 -1.82 -2.84 115.11 116.70 2k92 h GLN 66 Ca -0.09 0.01 0.24 0.00 -0.15 0.00 0.00 58.65 58.66 2k92 h GLN 66 Cb 1.48 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.99 2k92 h GLN 66 CO 0.05 0.37 0.64 0.00 -2.65 0.00 0.00 178.83 177.24 2k92 h ALA 67 N 0.16 2.41 0.00 3.38 0.00 -1.85 2.05 119.26 125.42 2k92 h ALA 67 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k92 h ALA 67 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k92 h ALA 67 CO 0.02 -0.73 -0.24 0.00 0.00 0.00 0.00 179.25 178.31 2k92 h ALA 68 N 1.59 1.08 0.00 0.00 0.00 -1.61 0.18 119.26 120.50 2k92 h ALA 68 Ca 0.50 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 2k92 h ALA 68 Cb 1.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2k92 h ALA 68 CO -0.16 0.30 -0.76 0.82 0.00 0.00 0.00 179.25 179.44 2k92 h ILE 69 N 0.00 1.13 0.00 0.00 2.04 0.32 -2.92 117.51 118.08 2k92 h ILE 69 Ca -0.00 -2.13 -0.00 0.00 1.00 0.00 0.00 64.86 63.72 2k92 h ILE 69 Cb 0.69 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2k92 h ILE 69 CO 0.03 0.38 -0.01 -0.78 0.00 0.00 0.00 178.15 177.78 2k92 h ASP 70 N -1.00 0.00 0.19 1.72 1.82 0.17 0.85 116.42 120.17 2k92 h ASP 70 Ca -0.20 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.19 2k92 h ASP 70 Cb 1.12 0.00 0.03 0.00 0.68 0.00 0.00 39.33 41.16 2k92 h ASP 70 CO -0.12 0.01 -1.08 0.22 -1.61 0.00 0.00 179.24 176.65 2k92 h TYR 71 N 0.00 0.71 0.00 0.28 3.20 -1.05 0.39 116.97 120.50 2k92 h TYR 71 Ca -0.00 -0.52 -0.06 0.00 3.14 0.00 0.00 58.73 61.29 2k92 h TYR 71 Cb 0.04 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2k92 h TYR 71 CO 0.00 1.41 -0.27 0.82 -1.64 0.00 0.00 178.16 178.49 2k92 h ILE 72 N -0.18 0.67 0.08 1.81 1.08 -1.06 -1.15 117.51 118.76 2k92 h ILE 72 Ca -0.19 -1.19 -0.33 0.00 -0.39 0.00 0.00 64.86 62.75 2k92 h ILE 72 Cb 1.85 1.78 -0.03 0.00 -3.07 0.00 0.00 36.82 37.34 2k92 h ILE 72 CO 0.20 0.26 -1.86 0.78 -0.69 0.00 0.00 178.15 176.83 2k92 h ASN 73 N 0.00 0.25 -0.28 1.72 2.35 -0.92 -3.33 115.58 115.37 2k92 h ASN 73 Ca -0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2k92 h ASN 73 Cb 0.75 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2k92 h ASN 73 CO 0.03 1.50 0.00 0.61 -1.65 0.00 0.00 177.43 177.92 2k92 n GLY 74 N 1.81 2.16 0.11 2.83 0.00 0.14 -3.94 105.19 108.29 2k92 n GLY 74 Ca -0.25 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 2k92 n GLY 74 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k92 h HIS 75 N 1.90 0.10 -2.42 1.61 -0.00 -1.32 -3.43 115.15 111.60 2k92 h HIS 75 Ca 0.00 -0.08 -0.66 0.00 -0.00 0.00 0.00 60.37 59.63 2k92 h HIS 75 Cb 1.19 -0.00 -0.16 0.00 -0.00 0.00 0.00 27.41 28.43 2k92 h HIS 75 CO 0.52 1.50 0.75 -0.65 -0.00 0.00 0.00 177.93 180.06 2k92 s GLN 76 N -2.39 3.41 0.00 5.26 -0.21 -1.25 -5.12 119.66 119.35 2k92 s GLN 76 Ca -0.27 -1.37 0.28 0.00 0.02 0.00 0.00 55.36 54.03 2k92 s GLN 76 Cb 0.05 -4.68 1.15 0.00 1.00 0.00 0.00 33.01 30.53 2k92 s GLN 76 CO 0.64 -1.81 1.80 0.00 -2.12 0.00 0.00 175.29 173.79