#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 0.02 -0.10 0.44 -2.24 -1.26 -3.45 114.28 107.68 2k92 n THR 2 Ca 0.00 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 2k92 n THR 2 Cb 0.00 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.65 1.52 0.20 2.28 0.00 -1.26 -4.03 119.36 117.41 2k92 n ILE 3 Ca 0.11 -0.04 -0.16 0.00 0.00 0.00 0.00 62.75 62.66 2k92 n ILE 3 Cb 0.06 -2.08 -0.08 0.00 0.00 0.00 0.00 39.64 37.55 2k92 n ILE 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2k92 h GLU 4 N -1.00 -0.73 -1.61 9.51 4.22 -1.95 0.96 114.58 123.98 2k92 h GLU 4 Ca -0.34 0.05 0.47 0.00 0.08 0.00 0.00 59.36 59.62 2k92 h GLU 4 Cb 1.23 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.57 2k92 h GLU 4 CO -0.21 -0.48 1.14 1.05 -2.18 0.00 0.00 179.01 178.33 2k92 h GLU 5 N -0.75 0.02 0.05 1.92 4.11 -1.78 1.48 114.58 119.62 2k92 h GLU 5 Ca -0.01 -0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.09 2k92 h GLU 5 Cb 0.71 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2k92 h GLU 5 CO -0.13 0.01 -1.86 0.54 0.07 0.00 0.00 179.01 177.64 2k92 n ARG 6 N -4.12 0.68 -0.31 1.06 1.74 -0.13 -4.07 116.66 111.52 2k92 n ARG 6 Ca 0.37 0.27 0.02 0.00 -0.77 0.00 0.00 57.85 57.74 2k92 n ARG 6 Cb 1.66 -1.75 0.16 0.00 -1.02 0.00 0.00 32.46 31.51 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 0.03 0.98 -0.76 1.55 2.07 0.96 0.18 116.25 121.26 2k92 h VAL 7 Ca -0.35 -0.31 0.17 0.00 0.82 0.00 0.00 66.70 67.03 2k92 h VAL 7 Cb 2.03 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2k92 h VAL 7 CO 0.08 0.16 0.52 0.11 0.02 0.00 0.00 177.57 178.46 2k92 h LYS 8 N 0.90 0.31 -0.01 1.57 1.79 -1.08 0.66 116.57 120.71 2k92 h LYS 8 Ca 0.39 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2k92 h LYS 8 Cb 0.27 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2k92 h LYS 8 CO -0.21 0.21 0.00 -0.22 -1.08 0.00 0.00 179.45 178.15 2k92 h LYS 9 N 0.32 0.01 0.31 3.15 3.64 -0.81 1.59 116.57 124.79 2k92 h LYS 9 Ca 0.38 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2k92 h LYS 9 Cb 1.00 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2k92 h LYS 9 CO -0.10 0.12 -0.43 0.82 -2.27 0.00 0.00 179.45 177.58 2k92 h ILE 10 N -0.09 0.00 0.00 2.00 2.04 -0.72 1.57 117.51 122.30 2k92 h ILE 10 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2k92 h ILE 10 Cb 0.11 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2k92 h ILE 10 CO -0.00 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.49 2k92 h ILE 11 N -0.78 0.40 0.00 -0.67 1.08 -1.30 1.94 117.51 118.18 2k92 h ILE 11 Ca -0.04 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2k92 h ILE 11 Cb 0.70 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 2k92 h ILE 11 CO -0.12 0.06 -0.14 1.23 -0.69 0.00 0.00 178.15 178.48 2k92 h GLY 12 N 0.57 0.00 0.00 5.37 0.00 0.42 -3.30 103.07 106.13 2k92 h GLY 12 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k92 h GLY 12 CO 0.01 0.00 -0.19 -1.06 0.00 0.00 0.00 176.54 175.29 2k92 n GLN 13 N -2.66 0.10 -0.19 4.80 1.13 0.52 -2.60 117.38 118.48 2k92 n GLN 13 Ca 0.04 0.04 -0.05 0.00 -1.94 0.00 0.00 57.00 55.09 2k92 n GLN 13 Cb 0.49 -0.53 -0.05 0.00 0.11 0.00 0.00 30.24 30.26 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 -3.22 -0.20 0.00 -1.09 1.13 0.63 -1.87 117.38 112.75 2k92 n GLN 14 Ca -0.03 1.08 0.00 0.00 -1.94 0.00 0.00 57.00 56.12 2k92 n GLN 14 Cb 0.10 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2k92 n GLN 14 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2k92 n LEU 15 N -4.05 0.00 0.00 1.08 4.77 -1.24 -4.97 117.00 112.59 2k92 n LEU 15 Ca 0.01 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 2k92 n LEU 15 Cb 0.12 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2k92 n LEU 15 CO -0.07 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 2k92 n GLY 16 N -0.99 0.03 1.95 -0.72 0.00 -0.78 -4.97 105.19 99.70 2k92 n GLY 16 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.31 1.61 0.24 -1.07 -5.03 118.33 111.77 2k92 n VAL 17 Ca 0.00 -1.28 -0.26 0.00 -2.04 0.00 0.00 64.34 60.75 2k92 n VAL 17 Cb 0.00 0.69 0.15 0.00 -1.47 0.00 0.00 33.84 33.22 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 -2.67 1.06 -0.64 7.34 3.01 -1.26 -4.47 119.74 122.11 2k92 s LYS 18 Ca 0.21 -0.89 -0.00 0.00 -1.01 0.00 0.00 55.97 54.28 2k92 s LYS 18 Cb 0.00 -2.10 0.42 0.00 -1.01 0.00 0.00 37.83 35.15 2k92 s LYS 18 CO 0.15 -1.99 1.84 0.00 0.51 0.00 0.00 175.35 175.86 2k92 n GLN 19 N -3.31 2.90 0.01 1.68 10.64 -1.26 -4.31 117.38 123.74 2k92 n GLN 19 Ca 0.16 -3.57 0.00 0.00 -1.83 0.00 0.00 57.00 51.76 2k92 n GLN 19 Cb 0.60 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.70 2k92 n GLN 19 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2k92 n GLU 20 N -0.76 0.00 -0.28 2.61 -0.58 -1.26 -4.87 120.64 115.50 2k92 n GLU 20 Ca 0.56 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 57.31 2k92 n GLU 20 Cb 0.60 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.68 2k92 n GLU 20 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k92 h GLU 21 N 0.00 1.07 -6.27 3.49 4.39 -1.99 -3.40 114.58 111.87 2k92 h GLU 21 Ca 0.00 -0.06 -0.55 0.00 0.34 0.00 0.00 59.36 59.09 2k92 h GLU 21 Cb 0.00 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 2k92 h GLU 21 CO 0.00 0.71 1.15 0.08 -1.16 0.00 0.00 179.01 179.79 2k92 s VAL 22 N -5.93 3.45 0.45 3.13 1.01 -1.26 -4.97 120.40 116.27 2k92 s VAL 22 Ca -0.12 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2k92 s VAL 22 Cb 0.18 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2k92 s VAL 22 CO 0.80 -0.08 0.05 0.42 0.00 0.00 0.00 175.10 176.28 2k92 s THR 23 N 4.58 1.13 0.13 3.92 -4.23 -1.26 -5.01 115.64 114.90 2k92 s THR 23 Ca 0.78 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.20 2k92 s THR 23 Cb -0.34 -2.42 -0.12 0.00 1.34 0.00 0.00 72.50 70.96 2k92 s THR 23 CO 0.32 0.00 1.37 -0.55 -0.54 0.00 0.00 174.62 175.22 2k92 h ASN 24 N 1.63 0.83 -2.03 3.99 7.08 -1.96 -3.20 115.58 121.91 2k92 h ASN 24 Ca -0.41 -0.52 -0.77 0.00 -3.08 0.00 0.00 56.30 51.52 2k92 h ASN 24 Cb 1.28 -0.24 -0.27 0.00 -2.08 0.00 0.00 38.32 37.01 2k92 h ASN 24 CO 0.70 1.30 1.06 0.59 -2.08 0.00 0.00 177.43 179.00 2k92 n ASN 25 N -3.93 7.52 -3.58 6.14 3.02 -1.26 -3.41 115.26 119.76 2k92 n ASN 25 Ca -0.06 -3.82 -0.26 0.00 -0.03 0.00 0.00 54.58 50.41 2k92 n ASN 25 Cb 0.70 -1.08 -0.16 0.00 -0.61 0.00 0.00 39.78 38.63 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 -4.11 0.37 -1.39 5.41 0.00 -1.21 -5.05 121.76 115.78 2k92 s ALA 26 Ca 0.50 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 2k92 s ALA 26 Cb 0.41 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2k92 s ALA 26 CO -0.38 -1.29 2.02 0.43 0.00 0.00 0.00 175.76 176.54 2k92 n SER 27 N 5.28 4.33 -0.25 0.00 7.64 -1.26 -3.72 113.62 125.63 2k92 n SER 27 Ca -0.07 -2.88 0.23 0.00 1.01 0.00 0.00 58.87 57.17 2k92 n SER 27 Cb 0.48 -1.69 0.41 0.00 -1.01 0.00 0.00 64.21 62.39 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 7.00 0.64 -0.27 1.43 -1.74 -1.26 0.30 117.46 123.57 2k92 n PHE 28 Ca 0.51 0.65 -0.07 0.00 -0.56 0.00 0.00 57.45 57.97 2k92 n PHE 28 Cb 0.42 -1.07 -0.06 0.00 1.52 0.00 0.00 39.48 40.29 2k92 n PHE 28 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2k92 n VAL 29 N -4.28 -0.43 -0.10 1.97 0.31 -1.26 -1.42 118.33 113.12 2k92 n VAL 29 Ca 0.26 2.04 -0.21 0.00 -0.01 0.00 0.00 64.34 66.42 2k92 n VAL 29 Cb 0.92 -2.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 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 -4.44 0.44 -0.02 5.55 0.00 0.13 -1.98 120.64 120.33 2k92 n GLU 30 Ca 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 57.16 57.36 2k92 n GLU 30 Cb 0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 31.44 30.35 2k92 n GLU 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2k92 n ASP 31 N -3.98 -0.05 0.00 4.31 9.92 0.15 -4.29 116.55 122.60 2k92 n ASP 31 Ca -0.38 0.89 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 2k92 n ASP 31 Cb 0.75 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.98 0.00 -2.88 0.64 7.99 -1.05 -4.95 117.00 113.76 2k92 n LEU 32 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 2k92 n LEU 32 Cb 0.01 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.33 2k92 n LEU 32 CO -0.01 0.00 0.18 -0.83 -1.51 0.00 0.00 177.39 175.22 2k92 s GLY 33 N 0.00 -1.36 -0.40 -0.72 0.00 -0.51 -4.95 107.32 99.38 2k92 s GLY 33 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 44.72 44.76 2k92 s GLY 33 CO 0.00 3.78 0.34 0.00 0.00 0.00 0.00 173.10 177.22 2k92 s ALA 34 N 1.25 1.04 -0.30 3.20 0.00 -0.82 -4.91 121.76 121.22 2k92 s ALA 34 Ca 0.24 -2.17 0.08 0.00 0.00 0.00 0.00 51.96 50.10 2k92 s ALA 34 Cb 0.01 -1.67 0.46 0.00 0.00 0.00 0.00 23.12 21.91 2k92 s ALA 34 CO -0.07 -2.02 1.18 -3.47 0.00 0.00 0.00 175.76 171.38 2k92 n ASP 35 N 3.12 4.75 0.00 0.00 2.03 -1.26 -4.22 116.55 120.97 2k92 n ASP 35 Ca 0.25 -3.67 0.00 0.00 0.52 0.00 0.00 54.79 51.90 2k92 n ASP 35 Cb 0.46 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2k92 n ASP 35 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k92 n SER 36 N -0.68 0.00 -1.84 1.67 7.64 -1.26 -4.93 113.62 114.21 2k92 n SER 36 Ca 0.42 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.13 2k92 n SER 36 Cb 0.94 0.05 0.09 0.00 -1.01 0.00 0.00 64.21 64.28 2k92 n SER 36 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k92 n LEU 37 N -1.07 5.78 -0.05 -3.43 4.77 -1.26 -4.24 117.00 117.50 2k92 n LEU 37 Ca 0.00 -3.04 -0.13 0.00 -0.03 0.00 0.00 56.01 52.81 2k92 n LEU 37 Cb 0.00 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.17 2k92 n LEU 37 CO 0.00 0.98 0.40 -2.24 -1.33 0.00 0.00 177.39 175.20 2k92 h ASP 38 N 0.93 -0.01 0.00 -1.43 2.03 -1.92 -3.35 116.42 112.67 2k92 h ASP 38 Ca 0.39 -0.83 -0.05 0.00 -0.73 0.00 0.00 57.03 55.82 2k92 h ASP 38 Cb 1.77 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.26 2k92 h ASP 38 CO 0.78 0.86 -1.07 0.41 -1.03 0.00 0.00 179.24 179.19 2k92 n THR 39 N -4.67 1.47 -0.35 1.15 -1.04 -1.26 -3.59 114.28 105.98 2k92 n THR 39 Ca -0.09 0.11 -0.09 0.00 -2.04 0.00 0.00 64.05 61.94 2k92 n THR 39 Cb 0.40 -2.23 -0.08 0.00 -1.82 0.00 0.00 70.33 66.60 2k92 n THR 39 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2k92 n VAL 40 N -4.35 -0.56 0.39 12.58 0.31 -1.26 0.14 118.33 125.58 2k92 n VAL 40 Ca -0.17 2.02 -0.17 0.00 -0.01 0.00 0.00 64.34 66.01 2k92 n VAL 40 Cb 0.51 -2.51 -0.08 0.00 -0.91 0.00 0.00 33.84 30.85 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 -0.96 -0.99 5.55 3.07 -1.82 -2.79 114.58 116.64 2k92 h GLU 41 Ca 0.14 0.07 0.34 0.00 -0.50 0.00 0.00 59.36 59.41 2k92 h GLU 41 Cb 0.35 0.22 -0.18 0.00 -0.84 0.00 0.00 28.75 28.30 2k92 h GLU 41 CO -0.79 -0.62 0.25 -0.11 -1.40 0.00 0.00 179.01 176.34 2k92 n LEU 42 N -5.47 0.09 0.03 1.33 0.00 0.04 -0.17 117.00 112.84 2k92 n LEU 42 Ca -0.14 1.67 -0.05 0.00 0.00 0.00 0.00 56.01 57.49 2k92 n LEU 42 Cb 0.41 -0.70 -0.03 0.00 0.00 0.00 0.00 43.42 43.10 2k92 n LEU 42 CO 0.35 -1.76 0.50 0.58 0.00 0.00 0.00 177.39 177.06 2k92 h VAL 43 N 0.00 0.00 -0.75 1.96 2.07 0.15 0.76 116.25 120.43 2k92 h VAL 43 Ca 0.71 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.35 2k92 h VAL 43 Cb 1.67 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.31 2k92 h VAL 43 CO -0.86 0.00 -0.35 0.24 0.02 0.00 0.00 177.57 176.63 2k92 h MET 44 N -0.24 -0.09 0.00 1.57 2.86 -0.46 1.89 114.93 120.46 2k92 h MET 44 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2k92 h MET 44 Cb 0.25 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2k92 h MET 44 CO -0.11 -0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.80 2k92 n ALA 45 N -3.28 -0.33 -0.00 6.32 0.00 -0.64 0.17 120.51 122.75 2k92 n ALA 45 Ca 0.07 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.73 2k92 n ALA 45 Cb 0.38 0.09 0.60 0.00 0.00 0.00 0.00 19.45 20.52 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 1.00 0.57 115.31 120.30 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 -0.02 -0.33 0.09 0.00 0.00 178.44 178.18 2k92 h GLU 47 N 0.00 -0.06 -0.47 1.13 4.39 0.42 -3.23 114.58 116.76 2k92 h GLU 47 Ca 0.29 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 2k92 h GLU 47 Cb 1.82 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.46 2k92 h GLU 47 CO -0.00 0.57 0.12 0.93 -1.16 0.00 0.00 179.01 179.47 2k92 h GLU 48 N -0.87 0.70 -0.42 2.33 4.39 0.62 0.37 114.58 121.70 2k92 h GLU 48 Ca -0.01 -0.13 0.12 0.00 0.34 0.00 0.00 59.36 59.69 2k92 h GLU 48 Cb 0.66 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2k92 h GLU 48 CO 0.01 0.64 0.33 1.49 -1.16 0.00 0.00 179.01 180.31 2k92 h GLU 49 N 0.68 0.00 0.00 2.33 4.57 -0.21 -3.43 114.58 118.53 2k92 h GLU 49 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2k92 h GLU 49 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2k92 h GLU 49 CO -0.00 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 2k92 n PHE 50 N -4.24 0.00 0.00 0.92 3.72 -0.60 -5.09 117.46 112.17 2k92 n PHE 50 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2k92 n PHE 50 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2k92 n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2k92 n ASP 51 N -0.80 0.00 -3.08 4.37 9.92 0.02 -4.97 116.55 122.01 2k92 n ASP 51 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 2k92 n ASP 51 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.77 -0.65 -3.53 -1.32 -1.26 -5.01 115.64 103.10 2k92 s THR 52 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 2k92 s THR 52 Cb 0.00 -0.05 -0.23 0.00 -1.51 0.00 0.00 72.50 70.71 2k92 s THR 52 CO 0.00 0.00 1.85 -1.84 -2.21 0.00 0.00 174.62 172.42 2k92 n GLU 53 N 4.27 0.79 -1.46 7.08 0.28 -1.26 -4.38 120.64 125.96 2k92 n GLU 53 Ca 0.09 -1.66 -0.47 0.00 -0.16 0.00 0.00 57.16 54.96 2k92 n GLU 53 Cb 0.59 -3.11 -0.08 0.00 1.43 0.00 0.00 31.44 30.27 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 7.19 0.10 -1.57 3.84 0.13 -1.26 -4.89 119.36 122.89 2k92 n ILE 54 Ca 0.46 -0.30 -0.31 0.00 -1.10 0.00 0.00 62.75 61.50 2k92 n ILE 54 Cb 0.43 -1.62 0.06 0.00 -0.84 0.00 0.00 39.64 37.68 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 7.05 2.65 0.11 9.51 0.04 -1.26 -4.73 135.00 148.38 2k92 s PRO 55 Ca 1.12 0.85 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 2k92 s PRO 55 Cb -0.83 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 2k92 s PRO 55 CO 0.45 -1.27 1.67 0.22 0.04 0.00 0.00 177.00 178.11 2k92 h ASP 56 N -0.84 -0.51 -1.28 6.66 1.82 -1.95 2.04 116.42 122.36 2k92 h ASP 56 Ca -0.45 0.06 0.39 0.00 -0.39 0.00 0.00 57.03 56.64 2k92 h ASP 56 Cb 1.23 0.19 -0.11 0.00 0.68 0.00 0.00 39.33 41.32 2k92 h ASP 56 CO 0.58 -0.26 0.84 1.05 -1.61 0.00 0.00 179.24 179.83 2k92 h GLU 57 N -0.36 0.15 0.00 0.28 4.11 -2.00 1.33 114.58 118.09 2k92 h GLU 57 Ca 0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.37 2k92 h GLU 57 Cb 0.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k92 h GLU 57 CO -0.10 0.10 -1.70 0.39 0.07 0.00 0.00 179.01 177.77 2k92 n GLU 58 N -4.58 0.64 0.02 1.06 1.02 -0.34 -3.92 120.64 114.54 2k92 n GLU 58 Ca 0.34 -0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.51 2k92 n GLU 58 Cb 1.31 -1.65 0.26 0.00 -0.02 0.00 0.00 31.44 31.35 2k92 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k92 n ALA 59 N -2.33 1.48 0.04 0.62 0.00 0.68 -1.66 120.51 119.34 2k92 n ALA 59 Ca -0.08 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 2k92 n ALA 59 Cb 0.69 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 2k92 n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k92 h GLU 60 N 0.00 0.23 0.00 0.00 4.81 -1.28 -3.27 114.58 115.08 2k92 h GLU 60 Ca 0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2k92 h GLU 60 Cb 0.19 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2k92 h GLU 60 CO 0.00 1.07 0.00 0.36 -0.73 0.00 0.00 179.01 179.71 2k92 n LYS 61 N -3.42 0.16 -0.90 1.92 2.85 -0.67 -1.87 118.16 116.23 2k92 n LYS 61 Ca -0.19 0.31 0.03 0.00 -1.05 0.00 0.00 58.31 57.40 2k92 n LYS 61 Cb 1.05 -1.76 0.36 0.00 -0.65 0.00 0.00 35.03 34.03 2k92 n LYS 61 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2k92 n ILE 62 N -2.05 2.79 -0.33 0.58 -5.35 -1.09 -4.64 119.36 109.27 2k92 n ILE 62 Ca 0.04 -1.55 0.28 0.00 -0.27 0.00 0.00 62.75 61.24 2k92 n ILE 62 Cb 0.27 -0.30 0.47 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.24 -0.17 -3.85 7.28 5.66 -0.78 -4.20 114.28 118.45 2k92 n THR 63 Ca 0.32 1.25 -0.22 0.00 -3.05 0.00 0.00 64.05 62.34 2k92 n THR 63 Cb 1.24 -2.04 -0.04 0.00 -1.55 0.00 0.00 70.33 67.93 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 -4.73 3.17 0.05 1.09 -4.23 -1.26 -4.12 115.64 105.61 2k92 s THR 64 Ca -0.05 -1.46 -0.19 0.00 -1.18 0.00 0.00 61.69 58.80 2k92 s THR 64 Cb 0.21 -3.09 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 2k92 s THR 64 CO 0.57 -0.13 1.37 0.58 -0.54 0.00 0.00 174.62 176.46 2k92 h VAL 65 N 1.29 1.33 -0.92 2.29 2.07 -1.73 -3.20 116.25 117.39 2k92 h VAL 65 Ca -0.44 -1.31 0.14 0.00 0.82 0.00 0.00 66.70 65.91 2k92 h VAL 65 Cb 1.26 1.80 -0.15 0.00 -1.52 0.00 0.00 31.29 32.68 2k92 h VAL 65 CO 0.60 0.39 -0.36 1.67 0.02 0.00 0.00 177.57 179.89 2k92 n GLN 66 N -4.51 -0.21 -0.05 1.57 -0.06 -1.22 0.11 117.38 113.01 2k92 n GLN 66 Ca -0.06 1.41 -0.08 0.00 -2.00 0.00 0.00 57.00 56.28 2k92 n GLN 66 Cb 0.37 -2.09 -0.01 0.00 -4.06 0.00 0.00 30.24 24.45 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 1.27 0.02 -1.88 1.69 0.00 -1.84 0.26 119.26 118.78 2k92 h ALA 67 Ca 0.32 0.09 0.55 0.00 0.00 0.00 0.00 54.91 55.86 2k92 h ALA 67 Cb 0.55 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2k92 h ALA 67 CO -0.91 -0.57 1.41 0.00 0.00 0.00 0.00 179.25 179.18 2k92 h ALA 68 N 1.02 3.79 0.00 0.00 0.00 0.84 1.60 119.26 126.51 2k92 h ALA 68 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k92 h ALA 68 Cb 0.34 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k92 h ALA 68 CO -0.32 -2.38 -0.05 0.82 0.00 0.00 0.00 179.25 177.32 2k92 h ILE 69 N 0.00 0.00 -0.66 0.00 2.04 -0.10 -2.71 117.51 116.07 2k92 h ILE 69 Ca 0.89 -0.25 0.19 0.00 1.00 0.00 0.00 64.86 66.69 2k92 h ILE 69 Cb 3.70 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 2k92 h ILE 69 CO -0.01 0.00 0.81 0.44 0.00 0.00 0.00 178.15 179.39 2k92 h ASP 70 N -0.25 0.00 0.04 1.72 3.32 -0.05 0.95 116.42 122.15 2k92 h ASP 70 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2k92 h ASP 70 Cb 0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.61 2k92 h ASP 70 CO 0.00 0.00 -0.63 0.22 -1.72 0.00 0.00 179.24 177.11 2k92 h TYR 71 N 0.00 0.55 0.00 4.55 3.20 0.21 -0.57 116.97 124.91 2k92 h TYR 71 Ca 0.32 -0.33 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2k92 h TYR 71 Cb 1.92 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 2k92 h TYR 71 CO 0.00 1.18 -0.25 0.82 -1.64 0.00 0.00 178.16 178.26 2k92 h ILE 72 N -0.23 0.83 0.18 1.81 1.08 0.11 -2.48 117.51 118.80 2k92 h ILE 72 Ca -0.09 -1.01 -0.30 0.00 -0.39 0.00 0.00 64.86 63.07 2k92 h ILE 72 Cb 1.38 1.60 0.02 0.00 -3.07 0.00 0.00 36.82 36.75 2k92 h ILE 72 CO 0.12 0.25 -1.37 0.78 -0.69 0.00 0.00 178.15 177.24 2k92 h ASN 73 N 0.00 0.59 0.00 1.72 2.35 -0.70 -2.76 115.58 116.78 2k92 h ASN 73 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 2k92 h ASN 73 Cb 0.58 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2k92 h ASN 73 CO 0.03 1.51 0.20 1.23 -1.65 0.00 0.00 177.43 178.76 2k92 h GLY 74 N 1.05 0.00 0.00 2.83 0.00 -0.62 -2.74 103.07 103.59 2k92 h GLY 74 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2k92 h GLY 74 CO 0.23 0.00 -0.57 1.57 0.00 0.00 0.00 176.54 177.77 2k92 n HIS 75 N -2.93 0.39 -3.30 5.60 -0.00 -1.18 -4.73 115.22 109.06 2k92 n HIS 75 Ca -0.02 0.17 -0.46 0.00 -0.00 0.00 0.00 57.72 57.41 2k92 n HIS 75 Cb 0.26 -0.53 -0.01 0.00 -0.00 0.00 0.00 29.99 29.71 2k92 n HIS 75 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2k92 s GLN 76 N -2.19 3.93 0.00 1.57 1.11 -1.04 -5.14 119.66 117.89 2k92 s GLN 76 Ca -0.16 -2.83 0.00 0.00 0.01 0.00 0.00 55.36 52.38 2k92 s GLN 76 Cb 0.02 -4.54 0.00 0.00 -1.01 0.00 0.00 33.01 27.48 2k92 s GLN 76 CO 0.24 -1.30 0.17 0.00 0.01 0.00 0.00 175.29 174.41