#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s SER 2 N 0.00 -0.06 0.00 0.00 1.04 -1.26 -5.18 113.70 108.24 1v54 s SER 2 Ca 0.00 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1v54 s SER 2 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1v54 s SER 2 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1v54 n GLY 3 N -0.22 0.54 0.00 7.32 0.00 -1.26 -5.19 105.19 106.38 1v54 n GLY 3 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1v54 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 4 N 0.00 5.08 0.66 -0.02 0.00 -1.26 -4.99 105.19 104.66 1v54 n GLY 4 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1v54 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 5 N 3.44 0.61 3.48 -0.02 0.00 -1.26 -5.06 105.19 106.38 1v54 n GLY 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1v54 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v54 s VAL 6 N -2.44 4.43 0.77 1.61 1.01 -1.26 -5.09 120.40 119.43 1v54 s VAL 6 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1v54 s VAL 6 Cb 0.00 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.37 1v54 s VAL 6 CO 0.00 0.35 1.22 -2.16 0.00 0.00 0.00 175.10 174.51 1v54 s PRO 7 N 1.47 1.87 0.38 2.72 0.04 -1.26 -5.04 135.00 135.17 1v54 s PRO 7 Ca 0.06 1.82 0.07 0.00 0.04 0.00 0.00 61.00 62.99 1v54 s PRO 7 Cb -0.15 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1v54 s PRO 7 CO 0.04 -2.06 0.40 0.95 0.04 0.00 0.00 177.00 176.37 1v54 s THR 8 N -1.99 3.25 0.24 1.26 -4.23 -1.26 -4.98 115.64 107.94 1v54 s THR 8 Ca 0.75 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 59.98 1v54 s THR 8 Cb -0.30 -3.13 0.14 0.00 1.34 0.00 0.00 72.50 70.54 1v54 s THR 8 CO 0.48 -0.09 1.77 0.44 -0.54 0.00 0.00 174.62 176.69 1v54 h ASP 9 N 1.01 0.91 -0.90 3.99 3.32 -1.96 0.12 116.42 122.91 1v54 h ASP 9 Ca -0.43 -0.18 0.06 0.00 0.02 0.00 0.00 57.03 56.50 1v54 h ASP 9 Cb 1.26 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1v54 h ASP 9 CO 0.55 0.89 0.59 -0.08 -1.72 0.00 0.00 179.24 179.46 1v54 h GLU 10 N 0.93 1.02 0.04 3.56 4.57 -1.95 0.39 114.58 123.13 1v54 h GLU 10 Ca 0.20 -0.06 -0.27 0.00 -1.18 0.00 0.00 59.36 58.04 1v54 h GLU 10 Cb 0.34 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1v54 h GLU 10 CO 0.00 0.67 -1.41 0.93 -1.18 0.00 0.00 179.01 178.02 1v54 h GLU 11 N 1.05 0.09 0.00 1.92 5.08 -1.84 -3.42 114.58 117.46 1v54 h GLU 11 Ca 0.38 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1v54 h GLU 11 Cb 0.15 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1v54 h GLU 11 CO -0.14 0.89 -0.53 0.94 -1.00 0.00 0.00 179.01 179.18 1v54 n GLN 12 N -3.30 3.52 -1.76 2.33 7.27 -0.01 -4.98 117.38 120.46 1v54 n GLN 12 Ca -0.11 -0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.55 1v54 n GLN 12 Cb 1.01 -0.78 0.02 0.00 2.41 0.00 0.00 30.24 32.90 1v54 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v54 n ALA 13 N -1.27 1.93 -3.83 1.69 0.00 0.13 -5.00 120.51 114.16 1v54 n ALA 13 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 1v54 n ALA 13 Cb 0.03 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.05 1v54 n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1v54 n THR 14 N -0.32 0.00 -1.59 0.00 5.66 -1.26 -4.67 114.28 112.10 1v54 n THR 14 Ca 0.06 -1.55 0.00 0.00 -3.05 0.00 0.00 64.05 59.51 1v54 n THR 14 Cb 0.42 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 69.95 1v54 n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1v54 n GLY 15 N -0.34 1.62 0.28 1.09 0.00 -1.26 -0.85 105.19 105.73 1v54 n GLY 15 Ca 0.04 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.72 1v54 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1v54 h LEU 16 N 0.00 0.40 -0.64 0.99 5.85 -1.99 -2.23 115.31 117.69 1v54 h LEU 16 Ca 0.00 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1v54 h LEU 16 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1v54 h LEU 16 CO 0.00 0.40 0.41 -0.08 -0.34 0.00 0.00 178.44 178.84 1v54 h GLU 17 N 0.43 0.80 -0.44 1.25 4.81 -1.88 -0.95 114.58 118.60 1v54 h GLU 17 Ca 0.10 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1v54 h GLU 17 Cb 0.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1v54 h GLU 17 CO -0.00 0.53 0.00 -0.09 -0.73 0.00 0.00 179.01 178.72 1v54 h ARG 18 N 0.82 0.77 -0.30 1.92 2.43 -0.42 -2.10 114.38 117.50 1v54 h ARG 18 Ca 0.25 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1v54 h ARG 18 Cb -0.04 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1v54 h ARG 18 CO -0.08 0.84 0.06 0.93 -1.51 0.00 0.00 179.97 180.21 1v54 h GLU 19 N 0.61 0.16 -0.67 0.20 5.08 -1.05 0.15 114.58 119.07 1v54 h GLU 19 Ca 0.12 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1v54 h GLU 19 Cb 0.49 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1v54 h GLU 19 CO 0.02 0.11 0.40 0.28 -1.00 0.00 0.00 179.01 178.82 1v54 h VAL 20 N 0.16 1.19 -0.12 3.13 2.07 -1.13 -0.13 116.25 121.44 1v54 h VAL 20 Ca 0.14 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1v54 h VAL 20 Cb 0.15 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1v54 h VAL 20 CO -0.19 0.20 0.06 -0.03 0.02 0.00 0.00 177.57 177.63 1v54 h MET 21 N 0.91 0.17 -0.47 1.57 1.85 -0.79 -1.02 114.93 117.14 1v54 h MET 21 Ca 0.24 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 59.17 1v54 h MET 21 Cb -0.02 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 31.97 1v54 h MET 21 CO -0.04 0.22 -0.24 -0.07 -0.40 0.00 0.00 176.91 176.38 1v54 h LEU 22 N 0.07 1.00 -0.52 3.39 3.38 -0.59 -2.56 115.31 119.48 1v54 h LEU 22 Ca 0.04 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1v54 h LEU 22 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1v54 h LEU 22 CO -0.01 1.18 0.27 0.00 0.09 0.00 0.00 178.44 179.98 1v54 h ALA 23 N 0.88 0.67 -0.16 1.53 0.00 -0.94 -1.94 119.26 119.29 1v54 h ALA 23 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1v54 h ALA 23 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1v54 h ALA 23 CO 0.07 0.21 0.03 0.00 0.00 0.00 0.00 179.25 179.56 1v54 h ALA 24 N 1.11 1.75 -0.19 0.00 0.00 -1.11 0.11 119.26 120.93 1v54 h ALA 24 Ca 0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1v54 h ALA 24 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1v54 h ALA 24 CO -0.03 0.20 -0.31 -0.09 0.00 0.00 0.00 179.25 179.02 1v54 h ARG 25 N 0.23 0.38 -0.19 0.00 2.43 -0.93 -1.73 114.38 114.56 1v54 h ARG 25 Ca 0.06 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1v54 h ARG 25 Cb 0.11 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1v54 h ARG 25 CO -0.00 0.65 0.00 1.63 -1.51 0.00 0.00 179.97 180.74 1v54 n LYS 26 N -4.09 1.62 -1.69 0.20 5.02 -0.63 -4.91 118.16 113.69 1v54 n LYS 26 Ca -0.01 -0.95 -0.08 0.00 -2.02 0.00 0.00 58.31 55.26 1v54 n LYS 26 Cb 0.43 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1v54 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v54 n GLY 27 N 1.03 0.51 3.81 0.72 0.00 -0.65 -5.03 105.19 105.58 1v54 n GLY 27 Ca 0.13 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1v54 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v54 s GLN 28 N -3.52 2.88 -0.43 1.61 -0.21 0.28 -4.98 119.66 115.29 1v54 s GLN 28 Ca 0.00 -1.04 0.09 0.00 0.02 0.00 0.00 55.36 54.43 1v54 s GLN 28 Cb 0.00 -2.55 0.30 0.00 1.00 0.00 0.00 33.01 31.76 1v54 s GLN 28 CO 0.00 0.41 0.68 -3.47 -2.12 0.00 0.00 175.29 170.80 1v54 n ASP 29 N -1.02 1.38 0.26 5.90 2.03 -1.26 -3.57 116.55 120.27 1v54 n ASP 29 Ca -0.08 -3.03 0.14 0.00 0.52 0.00 0.00 54.79 52.34 1v54 n ASP 29 Cb 0.57 -0.63 0.73 0.00 -0.72 0.00 0.00 41.12 41.07 1v54 n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1v54 h PRO 30 N 3.49 0.00 -0.62 -0.67 0.13 -1.96 -2.92 132.00 129.44 1v54 h PRO 30 Ca 0.10 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.99 1v54 h PRO 30 Cb 0.84 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.83 1v54 h PRO 30 CO 0.56 0.11 0.22 0.66 -0.23 0.00 0.00 178.00 179.33 1v54 n TYR 31 N -3.50 1.99 -4.21 1.56 4.02 -1.26 -4.97 117.16 110.78 1v54 n TYR 31 Ca -0.01 -1.43 -0.31 0.00 -0.01 0.00 0.00 57.90 56.14 1v54 n TYR 31 Cb 0.26 -0.64 -0.07 0.00 -0.02 0.00 0.00 39.34 38.87 1v54 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1v54 n ASN 32 N -0.73 0.15 0.07 7.72 3.02 -1.10 -4.87 115.26 119.51 1v54 n ASN 32 Ca 0.40 -1.22 -0.06 0.00 -0.03 0.00 0.00 54.58 53.68 1v54 n ASN 32 Cb 1.29 -1.93 -0.10 0.00 -0.61 0.00 0.00 39.78 38.43 1v54 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1v54 h ILE 33 N -1.88 1.56 -2.68 2.41 2.04 -1.94 -3.46 117.51 113.56 1v54 h ILE 33 Ca -0.66 -3.22 -0.57 0.00 1.00 0.00 0.00 64.86 61.41 1v54 h ILE 33 Cb 1.39 2.77 -0.06 0.00 -0.74 0.00 0.00 36.82 40.18 1v54 h ILE 33 CO 0.67 0.89 -0.55 -0.76 0.00 0.00 0.00 178.15 178.40 1v54 s LEU 34 N -6.64 3.86 -0.13 1.44 1.43 -1.26 -5.08 118.68 112.29 1v54 s LEU 34 Ca 0.01 -0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 52.76 1v54 s LEU 34 Cb 0.10 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1v54 s LEU 34 CO 0.81 0.07 0.81 0.00 0.23 0.00 0.00 176.35 178.26 1v54 s ALA 35 N -1.75 3.45 0.43 4.21 0.00 -1.26 -5.03 121.76 121.81 1v54 s ALA 35 Ca 0.31 0.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 1v54 s ALA 35 Cb -0.10 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1v54 s ALA 35 CO 0.24 -0.49 1.25 -1.25 0.00 0.00 0.00 175.76 175.51 1v54 s PRO 36 N 1.74 3.84 0.02 0.00 0.04 -1.26 -5.01 135.00 134.37 1v54 s PRO 36 Ca 0.39 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 63.22 1v54 s PRO 36 Cb -0.17 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 1v54 s PRO 36 CO 0.15 -0.55 0.64 0.21 0.04 0.00 0.00 177.00 177.49 1v54 s LYS 37 N -2.44 4.36 0.43 4.56 2.47 -1.26 -5.05 119.74 122.82 1v54 s LYS 37 Ca 0.60 0.83 -0.23 0.00 -1.56 0.00 0.00 55.97 55.62 1v54 s LYS 37 Cb -0.35 -3.33 -0.09 0.00 -1.46 0.00 0.00 37.83 32.60 1v54 s LYS 37 CO 0.43 0.38 1.06 0.00 0.16 0.00 0.00 175.35 177.38 1v54 s ALA 38 N -0.28 3.00 0.45 3.13 0.00 -1.26 -5.01 121.76 121.79 1v54 s ALA 38 Ca 0.33 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1v54 s ALA 38 Cb -0.19 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1v54 s ALA 38 CO 0.19 -0.28 0.00 0.25 0.00 0.00 0.00 175.76 175.92 1v54 n THR 39 N -0.41 0.00 0.56 0.00 -2.24 -1.26 -4.95 114.28 105.97 1v54 n THR 39 Ca 0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 1v54 n THR 39 Cb 0.50 -1.45 0.45 0.00 -2.10 0.00 0.00 70.33 67.73 1v54 n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1v54 n SER 40 N -1.43 0.68 -1.17 3.42 3.41 -1.25 -4.91 113.62 112.37 1v54 n SER 40 Ca 0.00 0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 59.08 1v54 n SER 40 Cb 0.00 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 1v54 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v54 n GLY 41 N 0.76 0.97 3.94 5.00 0.00 -0.64 -4.93 105.19 110.30 1v54 n GLY 41 Ca 0.04 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1v54 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v54 s THR 42 N -2.55 2.14 0.32 2.61 -4.23 -1.12 -0.70 115.64 112.12 1v54 s THR 42 Ca 0.00 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 1v54 s THR 42 Cb 0.00 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.23 1v54 s THR 42 CO 0.00 0.00 1.93 0.50 -0.54 0.00 0.00 174.62 176.51 1v54 h LYS 43 N -0.94 0.91 0.01 3.99 3.64 -1.96 -2.02 116.57 120.21 1v54 h LYS 43 Ca -0.43 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 58.67 1v54 h LYS 43 Cb 1.28 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1v54 h LYS 43 CO 0.49 0.60 -1.15 0.93 -2.27 0.00 0.00 179.45 178.05 1v54 h GLU 44 N 0.94 0.02 -2.17 1.90 3.07 -2.01 -3.38 114.58 112.94 1v54 h GLU 44 Ca 0.36 -0.04 -0.57 0.00 -0.50 0.00 0.00 59.36 58.61 1v54 h GLU 44 Cb 0.21 0.01 -0.41 0.00 -0.84 0.00 0.00 28.75 27.72 1v54 h GLU 44 CO -0.13 0.93 -0.77 -3.47 -1.40 0.00 0.00 179.01 174.17 1v54 n ASP 45 N -3.31 3.12 -4.78 1.42 4.64 -0.92 -5.11 116.55 111.61 1v54 n ASP 45 Ca -0.04 -3.37 -0.32 0.00 -1.38 0.00 0.00 54.79 49.69 1v54 n ASP 45 Cb 0.97 -0.62 0.07 0.00 -1.04 0.00 0.00 41.12 40.50 1v54 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1v54 s PRO 46 N -2.66 2.55 -0.02 -0.67 0.04 -0.80 -1.62 135.00 131.82 1v54 s PRO 46 Ca 0.43 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1v54 s PRO 46 Cb 0.23 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 1v54 s PRO 46 CO -0.08 -1.42 1.24 -0.80 0.04 0.00 0.00 177.00 175.98 1v54 s ASN 47 N -3.24 7.02 -0.33 6.66 0.01 -0.13 -4.78 114.94 120.14 1v54 s ASN 47 Ca 0.62 1.91 -0.23 0.00 -0.71 0.00 0.00 52.86 54.46 1v54 s ASN 47 Cb -0.17 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1v54 s ASN 47 CO 0.51 -0.59 0.75 -0.76 -1.51 0.00 0.00 177.10 175.51 1v54 s LEU 48 N 2.00 4.13 -0.40 0.60 1.02 -1.26 -0.68 118.68 124.09 1v54 s LEU 48 Ca 0.58 0.45 -0.10 0.00 0.02 0.00 0.00 54.13 55.08 1v54 s LEU 48 Cb -0.27 -2.99 0.05 0.00 0.02 0.00 0.00 46.19 43.00 1v54 s LEU 48 CO 0.24 -0.64 0.24 -0.69 0.02 0.00 0.00 176.35 175.52 1v54 s VAL 49 N 2.94 4.46 0.52 -1.59 1.01 0.44 -4.95 120.40 123.23 1v54 s VAL 49 Ca 0.30 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 1v54 s VAL 49 Cb -0.14 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1v54 s VAL 49 CO 0.14 -0.37 1.19 -2.84 0.00 0.00 0.00 175.10 173.23 1v54 s PRO 50 N 1.51 3.38 -0.01 2.72 0.02 -1.26 -0.84 135.00 140.51 1v54 s PRO 50 Ca 0.02 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 62.56 1v54 s PRO 50 Cb -0.21 -2.17 0.07 0.00 0.02 0.00 0.00 34.50 32.21 1v54 s PRO 50 CO 0.05 -0.87 0.64 0.45 -0.33 0.00 0.00 177.00 176.94 1v54 s SER 51 N -1.46 -0.61 0.00 2.53 0.15 -1.12 -4.85 113.70 108.33 1v54 s SER 51 Ca 0.70 0.56 0.24 0.00 0.70 0.00 0.00 55.95 58.16 1v54 s SER 51 Cb -0.29 0.54 0.32 0.00 -1.71 0.00 0.00 66.02 64.87 1v54 s SER 51 CO 0.34 -0.66 1.34 2.30 1.20 0.00 0.00 173.24 177.76 1v54 n ILE 52 N 0.71 0.03 -3.42 6.45 -5.35 -1.26 0.15 119.36 116.67 1v54 n ILE 52 Ca -0.19 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1v54 n ILE 52 Cb 0.58 1.33 0.00 0.00 -1.74 0.00 0.00 39.64 39.81 1v54 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1v54 n THR 53 N 1.19 0.00 -0.44 7.28 -2.24 -1.26 -4.37 114.28 114.44 1v54 n THR 53 Ca 0.15 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1v54 n THR 53 Cb 0.57 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.13 1v54 n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1v54 n ASN 54 N -0.87 4.37 -3.54 3.42 3.02 -1.26 -4.48 115.26 115.92 1v54 n ASN 54 Ca 0.00 -2.30 -0.17 0.00 -0.03 0.00 0.00 54.58 52.09 1v54 n ASN 54 Cb 0.00 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.57 1v54 n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1v54 s LYS 55 N -1.60 0.98 -0.12 3.52 -2.85 -1.26 -0.17 119.74 118.24 1v54 s LYS 55 Ca 0.49 0.37 -0.13 0.00 -1.00 0.00 0.00 55.97 55.71 1v54 s LYS 55 Cb 0.30 0.47 0.03 0.00 -2.06 0.00 0.00 37.83 36.57 1v54 s LYS 55 CO 0.26 -0.28 0.35 0.50 0.10 0.00 0.00 175.35 176.29 1v54 s ARG 56 N -0.91 0.44 0.06 1.78 3.52 -0.23 -4.92 118.95 118.69 1v54 s ARG 56 Ca -0.08 0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.65 1v54 s ARG 56 Cb -0.01 0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 33.54 1v54 s ARG 56 CO 0.08 -0.06 1.17 0.42 -0.81 0.00 0.00 175.30 176.10 1v54 s ILE 57 N 0.05 4.13 -0.05 4.11 1.01 -1.26 -0.20 121.20 128.99 1v54 s ILE 57 Ca -0.01 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.19 1v54 s ILE 57 Cb -0.03 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1v54 s ILE 57 CO 0.01 0.12 -0.07 -0.69 0.00 0.00 0.00 174.94 174.31 1v54 s VAL 58 N 1.02 3.67 -0.18 2.92 1.01 0.95 -4.91 120.40 124.88 1v54 s VAL 58 Ca 0.58 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1v54 s VAL 58 Cb -0.28 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1v54 s VAL 58 CO 0.29 0.54 -0.19 -0.83 0.00 0.00 0.00 175.10 174.92 1v54 s GLY 59 N -0.98 1.41 -0.25 4.51 0.00 -1.26 -1.49 107.32 109.26 1v54 s GLY 59 Ca 0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.61 1v54 s GLY 59 CO 0.03 0.25 0.02 0.00 0.00 0.00 0.00 173.10 173.40 1v54 s ILE 61 N 1.51 5.33 0.23 0.00 1.01 -1.26 -1.58 121.20 126.43 1v54 s ILE 61 Ca 0.05 -2.48 -0.17 0.00 0.00 0.00 0.00 60.65 58.05 1v54 s ILE 61 Cb -0.15 -4.69 0.25 0.00 0.01 0.00 0.00 42.46 37.87 1v54 s ILE 61 CO -0.00 -1.33 1.56 0.00 0.00 0.00 0.00 174.94 175.16 1v54 s GLU 63 N -5.99 1.33 0.25 0.00 2.02 -1.26 -5.05 118.70 110.00 1v54 s GLU 63 Ca -0.14 -1.03 -0.31 0.00 0.02 0.00 0.00 54.97 53.51 1v54 s GLU 63 Cb 0.20 -1.51 -0.13 0.00 0.10 0.00 0.00 34.13 32.80 1v54 s GLU 63 CO 0.72 0.38 1.47 -1.91 0.02 0.00 0.00 175.26 175.93 1v54 n GLU 64 N 1.59 2.21 -0.92 1.61 2.13 -1.26 -1.60 120.64 124.40 1v54 n GLU 64 Ca -0.18 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1v54 n GLU 64 Cb 0.53 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1v54 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1v54 n ASP 65 N 2.28 -0.21 -4.77 4.31 10.43 -1.26 -5.02 116.55 122.32 1v54 n ASP 65 Ca 0.11 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 57.07 1v54 n ASP 65 Cb 0.33 -0.03 -0.01 0.00 1.84 0.00 0.00 41.12 43.24 1v54 n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1v54 s ASN 66 N -2.93 6.57 0.15 -2.24 -0.87 -0.63 -4.90 114.94 110.09 1v54 s ASN 66 Ca 0.00 2.71 0.21 0.00 -1.57 0.00 0.00 52.86 54.21 1v54 s ASN 66 Cb 0.00 -2.65 -0.05 0.00 -0.02 0.00 0.00 41.25 38.53 1v54 s ASN 66 CO 0.00 -0.68 0.96 -1.54 -2.57 0.00 0.00 177.10 173.27 1v54 n SER 67 N 0.52 0.83 -4.67 -1.22 3.41 -1.26 -4.85 113.62 106.39 1v54 n SER 67 Ca 0.01 0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 58.56 1v54 n SER 67 Cb 0.42 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 1v54 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1v54 s THR 68 N -3.23 5.00 -0.14 6.66 2.01 -1.26 -5.06 115.64 119.62 1v54 s THR 68 Ca -0.02 1.30 -0.05 0.00 0.31 0.00 0.00 61.69 63.23 1v54 s THR 68 Cb 0.09 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1v54 s THR 68 CO 0.80 0.11 0.05 -0.69 -0.69 0.00 0.00 174.62 174.20 1v54 s VAL 69 N 1.83 4.74 -0.28 3.82 1.01 -1.26 -4.69 120.40 125.56 1v54 s VAL 69 Ca 0.31 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1v54 s VAL 69 Cb -0.16 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1v54 s VAL 69 CO 0.11 0.54 0.32 -0.63 0.00 0.00 0.00 175.10 175.45 1v54 s ILE 70 N -0.29 5.21 -0.09 2.22 -1.09 -0.61 -4.87 121.20 121.67 1v54 s ILE 70 Ca 0.08 0.40 -0.02 0.00 -2.23 0.00 0.00 60.65 58.88 1v54 s ILE 70 Cb -0.12 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1v54 s ILE 70 CO 0.02 0.15 -0.01 0.26 -1.23 0.00 0.00 174.94 174.13 1v54 s TRP 71 N 1.98 3.11 -0.05 3.97 0.52 -1.26 0.39 118.94 127.60 1v54 s TRP 71 Ca 0.12 0.12 -0.29 0.00 0.02 0.00 0.00 56.10 56.08 1v54 s TRP 71 Cb -0.16 -1.80 0.10 0.00 -1.15 0.00 0.00 33.47 30.46 1v54 s TRP 71 CO 0.10 0.40 0.83 -0.59 0.02 0.00 0.00 176.95 177.71 1v54 s PHE 72 N -0.74 -0.48 0.03 -1.98 -0.12 -0.55 -5.00 117.98 109.14 1v54 s PHE 72 Ca 0.12 0.67 -0.29 0.00 -0.05 0.00 0.00 56.93 57.38 1v54 s PHE 72 Cb -0.11 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1v54 s PHE 72 CO 0.02 -0.53 0.91 -1.58 -0.05 0.00 0.00 175.22 173.99 1v54 s TRP 73 N -1.86 3.71 -0.26 3.49 0.52 -1.26 -0.04 118.94 123.23 1v54 s TRP 73 Ca -0.03 1.65 -0.09 0.00 0.02 0.00 0.00 56.10 57.65 1v54 s TRP 73 Cb -0.00 -3.02 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 1v54 s TRP 73 CO 0.00 0.11 0.13 -1.17 0.02 0.00 0.00 176.95 176.04 1v54 s LEU 74 N 0.51 3.72 0.14 2.99 2.96 0.72 -4.91 118.68 124.81 1v54 s LEU 74 Ca 0.47 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1v54 s LEU 74 Cb -0.21 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1v54 s LEU 74 CO 0.27 -0.04 0.29 -1.00 -1.32 0.00 0.00 176.35 174.54 1v54 s HIS 75 N 1.68 3.49 0.31 5.38 3.76 -1.26 -1.06 115.29 127.58 1v54 s HIS 75 Ca 0.07 0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 1v54 s HIS 75 Cb -0.16 -1.71 -0.11 0.00 1.11 0.00 0.00 32.58 31.72 1v54 s HIS 75 CO 0.07 0.51 1.55 0.21 -0.85 0.00 0.00 174.74 176.23 1v54 s LYS 76 N -3.12 4.14 0.00 1.40 2.20 0.76 -4.46 119.74 120.66 1v54 s LYS 76 Ca 0.35 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 1v54 s LYS 76 Cb -0.11 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1v54 s LYS 76 CO 0.28 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 1v54 n GLY 77 N 1.77 0.40 3.76 5.54 0.00 -1.26 -5.05 105.19 110.35 1v54 n GLY 77 Ca 0.06 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 1v54 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v54 s GLU 78 N -1.05 3.64 0.42 1.61 2.12 -1.26 -4.69 118.70 119.49 1v54 s GLU 78 Ca 0.00 2.15 -0.25 0.00 0.36 0.00 0.00 54.97 57.23 1v54 s GLU 78 Cb 0.00 -2.52 -0.10 0.00 0.26 0.00 0.00 34.13 31.77 1v54 s GLU 78 CO 0.00 -0.76 1.19 0.00 -0.54 0.00 0.00 175.26 175.15 1v54 n ALA 79 N -0.39 0.93 -2.60 6.30 0.00 -1.26 -4.92 120.51 118.57 1v54 n ALA 79 Ca 0.07 0.25 -0.23 0.00 0.00 0.00 0.00 53.44 53.52 1v54 n ALA 79 Cb 0.45 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 1v54 n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1v54 s GLN 80 N -2.17 2.28 0.07 0.00 -0.21 -0.16 -4.91 119.66 114.56 1v54 s GLN 80 Ca 0.62 -1.49 0.07 0.00 0.02 0.00 0.00 55.36 54.59 1v54 s GLN 80 Cb -0.52 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 1v54 s GLN 80 CO 0.57 0.28 -0.17 1.03 -2.12 0.00 0.00 175.29 174.89 1v54 s ARG 81 N -3.71 2.01 0.16 2.91 0.52 -1.26 -1.08 118.95 118.50 1v54 s ARG 81 Ca 0.33 -1.03 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 1v54 s ARG 81 Cb -0.05 -2.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.12 1v54 s ARG 81 CO 0.20 0.52 1.78 0.00 0.02 0.00 0.00 175.30 177.83 1v54 h PRO 83 N 7.75 0.00 0.00 0.00 0.11 -1.96 0.11 132.00 138.02 1v54 h PRO 83 Ca -0.45 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 1v54 h PRO 83 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1v54 h PRO 83 CO 0.95 0.00 -1.93 0.45 -0.21 0.00 0.00 178.00 177.27 1v54 n SER 84 N -3.36 1.93 -0.23 -2.05 2.88 -1.26 -4.76 113.62 106.77 1v54 n SER 84 Ca 0.00 0.37 0.06 0.00 -1.33 0.00 0.00 58.87 57.97 1v54 n SER 84 Cb 0.34 -0.83 -0.02 0.00 -0.75 0.00 0.00 64.21 62.95 1v54 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v54 n GLY 86 N 1.07 0.99 3.76 0.00 0.00 0.39 -4.94 105.19 106.46 1v54 n GLY 86 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1v54 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v54 s THR 87 N -3.39 2.35 0.18 2.61 -4.23 -1.26 -4.30 115.64 107.60 1v54 s THR 87 Ca 0.00 0.30 -0.20 0.00 -1.18 0.00 0.00 61.69 60.62 1v54 s THR 87 Cb 0.00 -3.17 -0.08 0.00 1.34 0.00 0.00 72.50 70.59 1v54 s THR 87 CO 0.00 0.04 0.69 -1.00 -0.54 0.00 0.00 174.62 173.80 1v54 s HIS 88 N -1.26 3.70 0.01 3.99 0.09 0.13 -1.24 115.29 120.70 1v54 s HIS 88 Ca 0.61 1.37 0.01 0.00 -0.00 0.00 0.00 55.06 57.05 1v54 s HIS 88 Cb -0.40 -2.59 -0.01 0.00 -0.00 0.00 0.00 32.58 29.58 1v54 s HIS 88 CO 0.51 0.41 -0.04 0.71 -0.00 0.00 0.00 174.74 176.33 1v54 s TYR 89 N -1.40 0.37 -0.03 1.40 2.02 -0.24 -0.96 117.35 118.51 1v54 s TYR 89 Ca 0.39 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 1v54 s TYR 89 Cb -0.18 -0.23 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 1v54 s TYR 89 CO 0.21 -0.04 -0.01 0.21 -1.57 0.00 0.00 175.55 174.34 1v54 s LYS 90 N -0.55 0.46 0.21 -0.62 2.20 0.14 -0.99 119.74 120.60 1v54 s LYS 90 Ca -0.03 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 1v54 s LYS 90 Cb -0.04 -0.58 -0.08 0.00 -1.51 0.00 0.00 37.83 35.61 1v54 s LYS 90 CO -0.00 -0.11 1.06 -1.17 -0.36 0.00 0.00 175.35 174.76 1v54 s LEU 91 N 0.95 4.54 -0.52 5.43 2.96 -1.26 -0.42 118.68 130.37 1v54 s LEU 91 Ca -0.11 2.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.93 1v54 s LEU 91 Cb -0.14 -3.61 0.15 0.00 0.50 0.00 0.00 46.19 43.09 1v54 s LEU 91 CO -0.01 -0.11 0.31 0.68 -1.32 0.00 0.00 176.35 175.90 1v54 s VAL 92 N -0.67 1.91 1.05 1.68 -7.23 -0.02 -4.70 120.40 112.42 1v54 s VAL 92 Ca 0.46 -3.13 -0.12 0.00 -1.81 0.00 0.00 61.98 57.38 1v54 s VAL 92 Cb -0.29 -2.31 0.22 0.00 0.56 0.00 0.00 36.38 34.56 1v54 s VAL 92 CO 0.36 -0.93 1.07 -2.16 -0.31 0.00 0.00 175.10 173.13 1v54 s PRO 93 N -0.24 -0.05 0.20 4.82 0.04 -1.26 -2.78 135.00 135.72 1v54 s PRO 93 Ca 0.21 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1v54 s PRO 93 Cb -0.17 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1v54 s PRO 93 CO -0.06 -3.20 0.00 0.72 0.04 0.00 0.00 177.00 174.50 1v54 n HIS 94 N -4.58 -1.77 0.00 0.56 8.25 0.39 -4.77 115.22 113.31 1v54 n HIS 94 Ca 0.06 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.42 1v54 n HIS 94 Cb 0.54 -1.60 0.00 0.00 1.12 0.00 0.00 29.99 30.04 1v54 n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1v54 n GLN 95 N -2.69 0.00 0.00 -0.41 3.00 -1.26 -4.84 117.38 111.18 1v54 n GLN 95 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1v54 n GLN 95 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 1v54 n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1v54 n LEU 96 N 0.00 0.00 -4.60 1.08 0.00 -1.26 -4.60 117.00 107.62 1v54 n LEU 96 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 1v54 n LEU 96 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1v54 n LEU 96 CO 0.00 0.00 0.71 0.00 0.00 0.00 0.00 177.39 178.10 1v54 s ALA 97 N -0.65 3.44 -2.00 1.96 0.00 -1.26 -5.10 121.76 118.15 1v54 s ALA 97 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1v54 s ALA 97 Cb 0.00 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.73 1v54 s ALA 97 CO 0.00 -1.50 0.58 0.72 0.00 0.00 0.00 175.76 175.56