#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k02 s ALA 2 N 0.00 3.38 0.20 -5.12 0.00 -1.26 -5.04 121.76 113.93 2k02 s ALA 2 Ca 0.00 0.84 0.05 0.00 0.00 0.00 0.00 51.96 52.86 2k02 s ALA 2 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2k02 s ALA 2 CO 0.00 -0.38 -0.08 -1.54 0.00 0.00 0.00 175.76 173.76 2k02 s SER 3 N 0.73 2.14 0.29 0.00 1.04 -1.26 -5.03 113.70 111.61 2k02 s SER 3 Ca 0.56 -1.09 0.25 0.00 0.48 0.00 0.00 55.95 56.15 2k02 s SER 3 Cb -0.29 -0.06 1.01 0.00 0.10 0.00 0.00 66.02 66.78 2k02 s SER 3 CO 0.31 -0.34 1.75 0.17 0.98 0.00 0.00 173.24 176.11 2k02 h LEU 4 N 2.57 0.00 -0.90 2.42 8.10 -1.96 -3.10 115.31 122.44 2k02 h LEU 4 Ca -0.38 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.62 2k02 h LEU 4 Cb 1.21 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.39 2k02 h LEU 4 CO 0.64 0.00 0.59 0.24 -4.11 0.00 0.00 178.44 175.80 2k02 h MET 5 N 0.00 1.19 0.50 0.17 2.86 -1.98 0.17 114.93 117.84 2k02 h MET 5 Ca 0.00 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2k02 h MET 5 Cb 0.41 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 2k02 h MET 5 CO 0.00 0.80 -0.32 0.93 1.06 0.00 0.00 176.91 179.38 2k02 h GLU 6 N 1.23 -0.75 -0.93 1.72 4.39 -1.98 -1.64 114.58 116.61 2k02 h GLU 6 Ca 0.33 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.17 2k02 h GLU 6 Cb -0.13 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 2k02 h GLU 6 CO -0.07 -0.50 0.58 0.28 -1.16 0.00 0.00 179.01 178.14 2k02 h VAL 7 N -0.78 0.99 -0.35 3.13 2.07 -1.71 -2.33 116.25 117.27 2k02 h VAL 7 Ca -0.07 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.18 2k02 h VAL 7 Cb 0.63 -0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 2k02 h VAL 7 CO 0.06 0.18 -0.42 -0.09 0.02 0.00 0.00 177.57 177.32 2k02 h ARG 8 N 0.99 -0.35 -0.53 1.57 2.43 -0.41 -0.27 114.38 117.81 2k02 h ARG 8 Ca 0.43 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.69 2k02 h ARG 8 Cb 0.31 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 2k02 h ARG 8 CO -0.22 -0.23 0.24 -0.44 -1.51 0.00 0.00 179.97 177.81 2k02 h ASP 9 N -0.36 0.30 -0.66 -3.80 3.32 -0.78 0.47 116.42 114.91 2k02 h ASP 9 Ca 0.12 0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.41 2k02 h ASP 9 Cb 0.59 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2k02 h ASP 9 CO -0.53 0.20 0.52 0.24 -1.72 0.00 0.00 179.24 177.95 2k02 h MET 10 N 0.45 0.00 0.12 3.56 2.86 -0.66 -1.54 114.93 119.72 2k02 h MET 10 Ca 0.25 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2k02 h MET 10 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k02 h MET 10 CO -0.21 0.00 -0.06 -0.07 1.06 0.00 0.00 176.91 177.63 2k02 h LEU 11 N 0.00 -0.14 -2.08 1.22 3.38 0.39 -2.82 115.31 115.25 2k02 h LEU 11 Ca 0.31 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2k02 h LEU 11 Cb 1.35 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2k02 h LEU 11 CO -0.00 0.46 0.33 0.00 0.09 0.00 0.00 178.44 179.32 2k02 h ALA 12 N -0.58 1.68 -0.39 1.53 0.00 -0.84 0.39 119.26 121.04 2k02 h ALA 12 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k02 h ALA 12 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k02 h ALA 12 CO 0.03 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.13 2k02 n LEU 13 N -3.35 4.23 0.00 0.00 4.32 -0.65 -4.86 117.00 116.69 2k02 n LEU 13 Ca 0.02 -2.78 0.00 0.00 -0.02 0.00 0.00 56.01 53.23 2k02 n LEU 13 Cb 0.44 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2k02 n LEU 13 CO 0.21 0.69 0.00 0.00 -1.22 0.00 0.00 177.39 177.07 2k02 n GLN 14 N 0.08 0.00 0.00 3.23 6.02 0.11 -5.02 117.38 121.81 2k02 n GLN 14 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2k02 n GLN 14 Cb 0.89 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.15 2k02 n GLN 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k02 n GLY 15 N -0.93 0.99 3.68 1.08 0.00 0.07 -5.02 105.19 105.06 2k02 n GLY 15 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2k02 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k02 n ARG 16 N 0.00 2.74 -3.82 1.61 3.00 -1.26 -4.43 116.66 114.50 2k02 n ARG 16 Ca 0.00 1.00 -0.08 0.00 -0.01 0.00 0.00 57.85 58.76 2k02 n ARG 16 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 32.46 29.57 2k02 n ARG 16 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2k02 s MET 17 N 3.14 2.05 -0.10 5.56 -1.94 -0.21 -4.99 119.30 122.82 2k02 s MET 17 Ca 0.84 -1.26 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 2k02 s MET 17 Cb -0.49 0.61 0.03 0.00 2.01 0.00 0.00 34.83 36.98 2k02 s MET 17 CO 0.39 -0.95 0.30 -1.83 -0.01 0.00 0.00 175.02 172.92 2k02 s GLU 18 N -2.82 0.41 0.40 2.03 -1.05 -1.26 0.17 118.70 116.58 2k02 s GLU 18 Ca 0.14 0.30 0.22 0.00 -0.15 0.00 0.00 54.97 55.48 2k02 s GLU 18 Cb -0.05 0.19 0.59 0.00 -0.44 0.00 0.00 34.13 34.42 2k02 s GLU 18 CO 0.10 -0.07 1.68 0.00 0.95 0.00 0.00 175.26 177.92 2k02 h ALA 19 N 5.34 0.91 -0.05 -0.84 0.00 -1.89 -3.32 119.26 119.41 2k02 h ALA 19 Ca -0.27 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2k02 h ALA 19 Cb 1.19 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2k02 h ALA 19 CO 0.33 0.33 -0.54 -0.22 0.00 0.00 0.00 179.25 179.14 2k02 h LYS 20 N 0.00 -0.62 -0.03 0.00 3.64 -1.90 0.79 116.57 118.44 2k02 h LYS 20 Ca -0.00 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2k02 h LYS 20 Cb 0.97 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 2k02 h LYS 20 CO 0.03 -0.42 -0.25 1.96 -2.27 0.00 0.00 179.45 178.51 2k02 h GLN 21 N -0.65 -0.36 -0.77 1.90 1.08 -1.96 0.35 115.11 114.70 2k02 h GLN 21 Ca 0.02 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 2k02 h GLN 21 Cb 0.71 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 28.18 2k02 h GLN 21 CO -0.39 -0.24 0.51 -0.07 -0.95 0.00 0.00 178.83 177.69 2k02 h LEU 22 N -0.37 0.75 -0.35 1.46 3.38 -1.59 0.42 115.31 119.01 2k02 h LEU 22 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2k02 h LEU 22 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k02 h LEU 22 CO -0.24 0.49 -0.00 0.28 0.09 0.00 0.00 178.44 179.06 2k02 h SER 23 N 0.86 0.61 1.71 -0.43 0.02 0.16 0.42 113.55 116.89 2k02 h SER 23 Ca 0.33 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2k02 h SER 23 Cb 0.20 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2k02 h SER 23 CO -0.11 0.77 -0.17 0.00 -1.14 0.00 0.00 176.83 176.18 2k02 h ALA 24 N 0.86 0.90 0.01 3.77 0.00 -0.33 0.23 119.26 124.70 2k02 h ALA 24 Ca 0.10 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2k02 h ALA 24 Cb 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2k02 h ALA 24 CO 0.02 0.21 -1.32 -0.09 0.00 0.00 0.00 179.25 178.07 2k02 h ARG 25 N 0.00 0.02 -0.04 0.00 2.43 -0.02 -3.34 114.38 113.44 2k02 h ARG 25 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k02 h ARG 25 Cb 1.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2k02 h ARG 25 CO 0.02 0.81 0.00 1.28 -1.51 0.00 0.00 179.97 180.57 2k02 n LEU 26 N -3.24 2.19 -2.35 3.80 7.99 0.12 -5.06 117.00 120.46 2k02 n LEU 26 Ca -0.08 -1.05 -0.04 0.00 -0.01 0.00 0.00 56.01 54.83 2k02 n LEU 26 Cb 0.99 -0.01 -0.04 0.00 -0.11 0.00 0.00 43.42 44.25 2k02 n LEU 26 CO 0.46 0.41 -0.54 0.00 -1.51 0.00 0.00 177.39 176.22 2k02 n GLN 27 N 0.77 -3.79 -3.63 3.23 6.02 0.69 -5.03 117.38 115.64 2k02 n GLN 27 Ca 0.08 2.93 -0.12 0.00 -0.01 0.00 0.00 57.00 59.89 2k02 n GLN 27 Cb 0.35 -4.27 -0.07 0.00 1.02 0.00 0.00 30.24 27.27 2k02 n GLN 27 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k02 s THR 28 N -0.53 0.00 0.20 5.09 2.01 -0.46 -4.99 115.64 116.96 2k02 s THR 28 Ca -0.22 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 2k02 s THR 28 Cb 0.01 -1.00 -0.16 0.00 0.01 0.00 0.00 72.50 71.36 2k02 s THR 28 CO 0.59 0.00 0.78 -2.65 -0.69 0.00 0.00 174.62 172.65 2k02 n PRO 29 N 2.63 0.47 0.01 4.92 -0.02 -1.26 -4.72 135.00 137.03 2k02 n PRO 29 Ca -0.14 0.17 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 2k02 n PRO 29 Cb 0.56 -1.37 -0.12 0.00 -0.02 0.00 0.00 33.50 32.54 2k02 n PRO 29 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2k02 h GLN 30 N 1.76 0.35 -0.55 -0.52 7.50 -1.91 -3.31 115.11 118.43 2k02 h GLN 30 Ca -0.35 -0.43 0.10 0.00 0.50 0.00 0.00 58.65 58.47 2k02 h GLN 30 Cb 1.40 0.14 -0.08 0.00 0.05 0.00 0.00 27.48 28.98 2k02 h GLN 30 CO 0.60 1.13 0.07 -1.35 -1.50 0.00 0.00 178.83 177.78 2k02 h PRO 31 N -0.24 0.19 -0.63 1.46 0.11 -1.77 -1.55 132.00 129.57 2k02 h PRO 31 Ca -0.09 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.11 2k02 h PRO 31 Cb 1.38 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.37 2k02 h PRO 31 CO 0.12 0.12 0.22 1.25 -0.21 0.00 0.00 178.00 179.50 2k02 h LEU 32 N 0.19 0.19 -0.99 2.35 7.12 -1.85 -1.07 115.31 121.25 2k02 h LEU 32 Ca 0.28 0.09 0.26 0.00 0.13 0.00 0.00 57.88 58.64 2k02 h LEU 32 Cb 0.42 0.08 -0.13 0.00 -0.53 0.00 0.00 40.66 40.50 2k02 h LEU 32 CO -0.41 0.11 0.56 0.40 -0.13 0.00 0.00 178.44 178.97 2k02 h ILE 33 N 0.38 0.47 -0.98 4.05 1.08 -1.36 0.38 117.51 121.53 2k02 h ILE 33 Ca 0.32 -0.17 0.20 0.00 -0.39 0.00 0.00 64.86 64.82 2k02 h ILE 33 Cb 0.43 -0.07 -0.09 0.00 -3.07 0.00 0.00 36.82 34.02 2k02 h ILE 33 CO -0.34 0.09 0.62 -0.78 -0.69 0.00 0.00 178.15 177.05 2k02 h ASP 34 N 0.50 0.67 0.92 1.72 3.58 -0.81 0.63 116.42 123.62 2k02 h ASP 34 Ca 0.65 0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.96 2k02 h ASP 34 Cb 1.30 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.28 2k02 h ASP 34 CO -0.51 0.24 -1.07 0.00 -2.88 0.00 0.00 179.24 175.02 2k02 h ALA 35 N 1.63 0.32 0.05 -0.78 0.00 -0.36 -2.12 119.26 118.00 2k02 h ALA 35 Ca 0.55 -0.93 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k02 h ALA 35 Cb 1.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k02 h ALA 35 CO -0.32 1.22 -0.09 1.98 0.00 0.00 0.00 179.25 182.04 2k02 h MET 36 N 0.01 -0.17 0.07 0.00 1.85 -0.21 0.46 114.93 116.95 2k02 h MET 36 Ca -0.04 0.01 -0.11 0.00 -0.61 0.00 0.00 59.70 58.95 2k02 h MET 36 Cb 1.81 0.04 0.01 0.00 0.43 0.00 0.00 31.60 33.89 2k02 h MET 36 CO 0.14 -0.11 -0.46 -0.07 -0.40 0.00 0.00 176.91 176.00 2k02 h LEU 37 N -0.18 0.28 -0.87 3.39 4.07 -1.55 -2.24 115.31 118.22 2k02 h LEU 37 Ca 0.02 -0.94 0.07 0.00 0.08 0.00 0.00 57.88 57.10 2k02 h LEU 37 Cb 0.19 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 2k02 h LEU 37 CO -0.06 1.21 0.54 -0.33 -1.08 0.00 0.00 178.44 178.72 2k02 h GLU 38 N -0.59 0.94 0.30 1.13 4.39 -1.39 0.26 114.58 119.62 2k02 h GLU 38 Ca -0.08 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2k02 h GLU 38 Cb 1.34 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2k02 h GLU 38 CO 0.09 0.62 -0.15 -0.09 -1.16 0.00 0.00 179.01 178.33 2k02 h ARG 39 N 0.97 -0.39 -0.84 2.33 2.43 -0.17 0.67 114.38 119.39 2k02 h ARG 39 Ca 0.38 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.76 2k02 h ARG 39 Cb 0.19 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 2k02 h ARG 39 CO -0.18 -0.07 0.56 1.98 -1.51 0.00 0.00 179.97 180.75 2k02 h MET 40 N -0.93 0.37 0.00 0.20 4.05 -1.23 0.14 114.93 117.53 2k02 h MET 40 Ca -0.04 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.17 2k02 h MET 40 Cb 0.51 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 2k02 h MET 40 CO 0.07 0.24 -1.18 1.49 0.23 0.00 0.00 176.91 177.76 2k02 h GLU 41 N 0.38 0.00 -0.48 0.39 4.22 -0.46 -3.32 114.58 115.31 2k02 h GLU 41 Ca 0.42 0.00 0.14 0.00 0.08 0.00 0.00 59.36 60.00 2k02 h GLU 41 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2k02 h GLU 41 CO -0.14 0.49 0.58 0.00 -2.18 0.00 0.00 179.01 177.76 2k02 h ALA 42 N 1.30 2.19 0.00 2.92 0.00 0.33 1.20 119.26 127.21 2k02 h ALA 42 Ca -0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2k02 h ALA 42 Cb 1.64 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2k02 h ALA 42 CO 0.07 -0.83 -0.72 0.52 0.00 0.00 0.00 179.25 178.30 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.65 -3.48 114.93 112.66 2k02 h MET 43 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2k02 h MET 43 Cb 1.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.05 2k02 h MET 43 CO -0.00 0.42 0.00 0.41 1.06 0.00 0.00 176.91 178.79 2k02 n GLY 44 N 1.26 0.61 0.00 8.32 0.00 0.41 -5.11 105.19 110.68 2k02 n GLY 44 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2k02 n GLY 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k02 n LYS 45 N 0.00 0.00 0.00 1.61 3.00 -1.19 -5.05 118.16 116.53 2k02 n LYS 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2k02 n LYS 45 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 35.03 34.59 2k02 n LYS 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2k02 n VAL 46 N -0.19 0.00 -3.71 3.15 0.31 -1.26 -5.06 118.33 111.57 2k02 n VAL 46 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2k02 n VAL 46 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2k02 n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k02 s VAL 47 N -0.20 -0.01 0.17 2.52 1.01 -0.12 -5.02 120.40 118.75 2k02 s VAL 47 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2k02 s VAL 47 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 2k02 s VAL 47 CO 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 175.10 175.08 2k02 s ARG 48 N 0.74 1.10 -0.16 2.72 1.04 -1.26 -0.20 118.95 122.93 2k02 s ARG 48 Ca -0.04 -1.51 -0.02 0.00 -1.04 0.00 0.00 55.73 53.12 2k02 s ARG 48 Cb -0.05 -0.43 0.05 0.00 -2.04 0.00 0.00 34.95 32.48 2k02 s ARG 48 CO -0.05 -0.05 0.02 0.42 -0.04 0.00 0.00 175.30 175.60 2k02 s ILE 49 N -3.51 0.48 -0.34 4.99 1.01 0.09 -4.88 121.20 119.04 2k02 s ILE 49 Ca 0.21 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 2k02 s ILE 49 Cb 0.05 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2k02 s ILE 49 CO 0.03 -0.06 0.81 -0.94 0.00 0.00 0.00 174.94 174.77 2k02 s SER 50 N 1.90 6.63 0.09 3.58 1.04 -1.26 0.15 113.70 125.82 2k02 s SER 50 Ca 0.01 0.54 0.03 0.00 0.48 0.00 0.00 55.95 57.01 2k02 s SER 50 Cb -0.16 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2k02 s SER 50 CO -0.07 -0.70 -0.08 -0.70 0.98 0.00 0.00 173.24 172.67 2k02 s GLU 51 N 3.09 0.80 0.20 4.02 2.56 -0.49 -4.96 118.70 123.92 2k02 s GLU 51 Ca 0.33 -1.18 0.09 0.00 0.00 0.00 0.00 54.97 54.21 2k02 s GLU 51 Cb -0.13 -0.35 -0.04 0.00 2.00 0.00 0.00 34.13 35.60 2k02 s GLU 51 CO 0.15 0.03 -0.09 -0.08 -0.56 0.00 0.00 175.26 174.71 2k02 s THR 52 N -2.83 3.17 -0.22 -1.70 -1.32 -1.26 -1.02 115.64 110.45 2k02 s THR 52 Ca 0.06 -1.75 -0.18 0.00 -1.21 0.00 0.00 61.69 58.61 2k02 s THR 52 Cb -0.00 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 2k02 s THR 52 CO -0.02 -0.17 0.51 -0.94 -2.21 0.00 0.00 174.62 171.79 2k02 s SER 53 N -2.99 6.51 0.61 8.08 1.04 -1.24 -4.90 113.70 120.81 2k02 s SER 53 Ca 0.26 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2k02 s SER 53 Cb -0.08 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2k02 s SER 53 CO 0.16 -0.20 0.00 -0.62 0.98 0.00 0.00 173.24 173.56 2k02 n GLU 54 N 4.98 -4.02 0.00 4.02 -0.58 -1.26 -4.96 120.64 118.81 2k02 n GLU 54 Ca -0.05 3.16 0.00 0.00 -0.42 0.00 0.00 57.16 59.85 2k02 n GLU 54 Cb 0.50 -4.08 0.00 0.00 -0.57 0.00 0.00 31.44 27.29 2k02 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k02 n GLY 55 N -3.08 0.00 5.00 0.62 0.00 -1.26 -4.99 105.19 101.49 2k02 n GLY 55 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k02 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k02 s LEU 57 N 0.00 2.37 -0.13 0.00 2.01 -1.26 -5.02 118.68 116.64 2k02 s LEU 57 Ca 0.00 0.90 0.07 0.00 0.01 0.00 0.00 54.13 55.11 2k02 s LEU 57 Cb 0.00 -3.36 -0.13 0.00 0.01 0.00 0.00 46.19 42.71 2k02 s LEU 57 CO 0.00 -2.09 -0.02 -1.20 1.01 0.00 0.00 176.35 174.05 2k02 n SER 58 N -3.46 2.28 0.00 2.29 7.64 -1.26 -4.78 113.62 116.33 2k02 n SER 58 Ca 0.07 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2k02 n SER 58 Cb 0.60 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 2k02 n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k02 n GLY 59 N 2.43 -1.78 3.84 0.23 0.00 -1.26 -4.79 105.19 103.87 2k02 n GLY 59 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2k02 n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k02 s SER 60 N -2.25 6.52 -0.08 1.61 0.01 -1.26 -5.03 113.70 113.23 2k02 s SER 60 Ca 0.00 0.62 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 2k02 s SER 60 Cb 0.00 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 2k02 s SER 60 CO 0.00 0.33 -0.10 0.00 0.41 0.00 0.00 173.24 173.88 2k02 h LYS 62 N -0.55 0.19 -7.01 0.00 2.10 -1.94 -3.45 116.57 105.90 2k02 h LYS 62 Ca 0.00 -0.32 -0.51 0.00 -2.00 0.00 0.00 60.65 57.82 2k02 h LYS 62 Cb 0.28 0.12 0.08 0.00 -0.90 0.00 0.00 32.23 31.80 2k02 h LYS 62 CO 0.00 1.15 0.50 0.45 -2.00 0.00 0.00 179.45 179.55 2k02 s SER 63 N -6.93 5.99 0.06 7.07 0.15 -1.26 -5.00 113.70 113.77 2k02 s SER 63 Ca -0.21 2.37 -0.01 0.00 0.70 0.00 0.00 55.95 58.81 2k02 s SER 63 Cb 0.04 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2k02 s SER 63 CO 0.73 -1.05 -0.04 0.00 1.20 0.00 0.00 173.24 174.09 2k02 h PRO 65 N 3.12 0.36 0.00 0.00 0.11 -2.00 -3.33 132.00 130.27 2k02 h PRO 65 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2k02 h PRO 65 Cb 1.14 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k02 h PRO 65 CO 0.66 0.24 -0.75 -1.91 -0.21 0.00 0.00 178.00 176.03 2k02 n GLU 66 N -5.05 0.00 0.00 1.05 4.07 -1.26 -5.06 120.64 114.39 2k02 n GLU 66 Ca 0.26 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2k02 n GLU 66 Cb 0.77 -0.64 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k02 n GLY 67 N 2.82 1.74 3.66 8.31 0.00 -1.25 -5.10 105.19 115.37 2k02 n GLY 67 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2k02 n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k02 n LYS 68 N -0.72 0.86 0.00 1.61 2.85 -1.26 -3.44 118.16 118.06 2k02 n LYS 68 Ca 0.00 0.35 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 2k02 n LYS 68 Cb 0.00 -2.33 0.00 0.00 -0.65 0.00 0.00 35.03 32.05 2k02 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k02 n ALA 69 N -2.04 0.00 -1.98 0.58 0.00 -1.26 -4.83 120.51 110.98 2k02 n ALA 69 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2k02 n ALA 69 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2k02 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k02 n ALA 70 N 0.00 -2.03 -3.28 0.00 0.00 -1.22 -4.94 120.51 109.04 2k02 n ALA 70 Ca 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 2k02 n ALA 70 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.93 2k02 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k02 s ARG 72 N 2.61 0.72 -0.13 0.00 1.70 -1.26 -3.64 118.95 118.95 2k02 s ARG 72 Ca 0.11 -1.02 -0.02 0.00 -0.47 0.00 0.00 55.73 54.33 2k02 s ARG 72 Cb -0.13 -1.99 -0.03 0.00 -0.57 0.00 0.00 34.95 32.23 2k02 s ARG 72 CO -0.26 -0.96 -0.06 -0.65 -1.08 0.00 0.00 175.30 172.29 2k02 s GLN 73 N 1.64 3.42 0.55 3.89 -0.21 -0.19 -2.39 119.66 126.37 2k02 s GLN 73 Ca 0.09 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 54.94 2k02 s GLN 73 Cb -0.17 -2.79 0.05 0.00 1.00 0.00 0.00 33.01 31.10 2k02 s GLN 73 CO -0.24 0.33 0.77 -1.21 -2.12 0.00 0.00 175.29 172.82 2k02 s GLU 74 N 0.11 2.45 0.10 2.91 0.41 -1.26 -1.39 118.70 122.02 2k02 s GLU 74 Ca -0.02 -0.98 0.08 0.00 -0.41 0.00 0.00 54.97 53.64 2k02 s GLU 74 Cb -0.14 -2.53 -0.03 0.00 -1.78 0.00 0.00 34.13 29.65 2k02 s GLU 74 CO 0.03 -0.75 -0.21 -1.58 -0.49 0.00 0.00 175.26 172.26 2k02 s TRP 75 N -2.74 1.79 0.10 1.61 0.51 0.40 -2.82 118.94 117.78 2k02 s TRP 75 Ca 0.59 -0.41 -0.06 0.00 -2.12 0.00 0.00 56.10 54.09 2k02 s TRP 75 Cb -0.09 -0.99 -0.05 0.00 -0.81 0.00 0.00 33.47 31.53 2k02 s TRP 75 CO 0.38 0.20 0.35 -1.58 -0.51 0.00 0.00 176.95 175.79 2k02 s TRP 76 N -1.13 3.52 -0.29 -1.98 0.52 0.44 -0.73 118.94 119.30 2k02 s TRP 76 Ca 0.07 0.60 -0.14 0.00 0.02 0.00 0.00 56.10 56.64 2k02 s TRP 76 Cb -0.10 -2.03 0.11 0.00 -1.15 0.00 0.00 33.47 30.30 2k02 s TRP 76 CO 0.04 0.50 0.73 0.00 0.02 0.00 0.00 176.95 178.24 2k02 s ALA 77 N -1.51 -2.02 0.38 0.98 0.00 0.72 -1.04 121.76 119.26 2k02 s ALA 77 Ca 0.36 2.36 0.06 0.00 0.00 0.00 0.00 51.96 54.74 2k02 s ALA 77 Cb -0.13 -1.59 0.06 0.00 0.00 0.00 0.00 23.12 21.46 2k02 s ALA 77 CO 0.21 -0.55 0.50 1.28 0.00 0.00 0.00 175.76 177.20 2k02 n LEU 78 N 4.58 0.00 -0.70 0.00 4.32 -1.26 -0.95 117.00 122.98 2k02 n LEU 78 Ca -0.17 -1.68 0.13 0.00 -0.02 0.00 0.00 56.01 54.27 2k02 n LEU 78 Cb 0.56 -0.25 0.33 0.00 -1.62 0.00 0.00 43.42 42.43 2k02 n LEU 78 CO -0.02 -0.62 0.76 -1.14 -1.22 0.00 0.00 177.39 175.14