#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 -2.17 0.55 3.17 0.00 -1.26 -5.16 121.76 116.89 2k02 s ALA 2 Ca 0.00 2.29 0.08 0.00 0.00 0.00 0.00 51.96 54.33 2k02 s ALA 2 Cb 0.00 -1.76 0.07 0.00 0.00 0.00 0.00 23.12 21.43 2k02 s ALA 2 CO 0.00 -0.77 0.76 -1.12 0.00 0.00 0.00 175.76 174.63 2k02 s SER 3 N 2.40 5.16 0.31 0.00 0.01 -1.26 -4.99 113.70 115.32 2k02 s SER 3 Ca -0.06 -0.68 0.25 0.00 1.31 0.00 0.00 55.95 56.77 2k02 s SER 3 Cb -0.09 0.02 1.02 0.00 0.21 0.00 0.00 66.02 67.19 2k02 s SER 3 CO -0.19 -1.26 1.76 0.17 0.41 0.00 0.00 173.24 174.14 2k02 h LEU 4 N 0.21 0.00 -0.70 2.44 8.10 -2.00 -3.15 115.31 120.20 2k02 h LEU 4 Ca -0.33 0.00 0.06 0.00 0.11 0.00 0.00 57.88 57.72 2k02 h LEU 4 Cb 1.28 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.45 2k02 h LEU 4 CO 0.42 0.00 0.40 0.24 -4.11 0.00 0.00 178.44 175.39 2k02 h MET 5 N 0.00 0.72 0.52 0.17 2.86 -1.97 0.52 114.93 117.75 2k02 h MET 5 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2k02 h MET 5 Cb 0.43 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.93 2k02 h MET 5 CO 0.00 0.48 -0.25 0.93 1.06 0.00 0.00 176.91 179.13 2k02 h GLU 6 N 0.74 -0.67 -0.09 1.72 5.08 -1.96 -2.40 114.58 116.99 2k02 h GLU 6 Ca 0.31 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 2k02 h GLU 6 Cb 0.18 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k02 h GLU 6 CO -0.18 -0.45 0.09 0.28 -1.00 0.00 0.00 179.01 177.76 2k02 h VAL 7 N -0.79 0.61 0.85 3.13 2.07 -1.70 -0.26 116.25 120.16 2k02 h VAL 7 Ca -0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2k02 h VAL 7 Cb 0.54 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k02 h VAL 7 CO 0.12 0.00 -0.41 -0.09 0.02 0.00 0.00 177.57 177.21 2k02 h ARG 8 N 0.00 -1.10 0.08 1.57 2.43 0.21 -2.08 114.38 115.49 2k02 h ARG 8 Ca 0.04 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2k02 h ARG 8 Cb 0.23 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2k02 h ARG 8 CO -0.00 -0.73 -0.04 0.22 -1.51 0.00 0.00 179.97 177.92 2k02 h ASP 9 N -1.18 -0.09 -0.78 -3.80 1.82 -1.06 0.55 116.42 111.89 2k02 h ASP 9 Ca -0.12 -0.47 0.17 0.00 -0.39 0.00 0.00 57.03 56.22 2k02 h ASP 9 Cb 0.88 0.02 -0.14 0.00 0.68 0.00 0.00 39.33 40.77 2k02 h ASP 9 CO 0.19 0.47 -0.07 0.24 -1.61 0.00 0.00 179.24 178.46 2k02 h MET 10 N -0.68 0.05 0.13 0.28 2.86 -1.15 -0.48 114.93 115.95 2k02 h MET 10 Ca -0.01 -0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.34 2k02 h MET 10 Cb 0.55 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k02 h MET 10 CO 0.02 0.04 -1.37 -0.07 1.06 0.00 0.00 176.91 176.59 2k02 h LEU 11 N 0.06 0.43 -2.24 1.22 4.07 -1.45 -3.27 115.31 114.13 2k02 h LEU 11 Ca 0.41 -0.51 0.04 0.00 0.08 0.00 0.00 57.88 57.90 2k02 h LEU 11 Cb 0.71 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2k02 h LEU 11 CO -0.73 1.41 0.24 0.00 -1.08 0.00 0.00 178.44 178.28 2k02 h ALA 12 N 0.53 1.61 0.00 1.53 0.00 0.66 0.63 119.26 124.22 2k02 h ALA 12 Ca -0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2k02 h ALA 12 Cb 2.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2k02 h ALA 12 CO 0.19 -0.32 -0.29 -0.07 0.00 0.00 0.00 179.25 178.77 2k02 h LEU 13 N 0.00 0.00 0.00 0.00 3.38 -1.28 -3.40 115.31 114.00 2k02 h LEU 13 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k02 h LEU 13 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k02 h LEU 13 CO -0.00 0.29 -0.12 0.00 0.09 0.00 0.00 178.44 178.69 2k02 n GLN 14 N -3.24 0.06 0.00 1.13 6.02 0.10 -5.14 117.38 116.32 2k02 n GLN 14 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2k02 n GLN 14 Cb 0.58 -0.40 0.00 0.00 1.02 0.00 0.00 30.24 31.44 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 2.75 0.74 3.48 1.08 0.00 0.18 -5.06 105.19 108.36 2k02 n GLY 15 Ca -0.02 -0.69 -0.48 0.00 0.00 0.00 0.00 46.02 44.83 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 1.22 -3.85 1.61 3.00 -1.26 -4.38 116.66 112.99 2k02 n ARG 16 Ca 0.00 0.31 -0.08 0.00 -0.01 0.00 0.00 57.85 58.07 2k02 n ARG 16 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 32.46 29.80 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 6.50 2.03 0.01 5.56 -1.94 -0.73 -5.03 119.30 125.69 2k02 s MET 17 Ca 1.08 -1.28 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 2k02 s MET 17 Cb -0.72 0.61 -0.01 0.00 2.01 0.00 0.00 34.83 36.72 2k02 s MET 17 CO 0.45 -0.93 -0.03 -1.83 -0.01 0.00 0.00 175.02 172.66 2k02 s GLU 18 N -3.02 0.24 0.39 2.03 -1.05 -1.26 -1.06 118.70 114.97 2k02 s GLU 18 Ca 0.15 -0.34 0.24 0.00 -0.15 0.00 0.00 54.97 54.87 2k02 s GLU 18 Cb -0.05 -0.07 0.46 0.00 -0.44 0.00 0.00 34.13 34.03 2k02 s GLU 18 CO 0.10 0.01 1.65 0.00 0.95 0.00 0.00 175.26 177.97 2k02 h ALA 19 N 5.40 1.00 -0.93 -0.84 0.00 -1.94 -3.32 119.26 118.62 2k02 h ALA 19 Ca -0.29 0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.86 2k02 h ALA 19 Cb 1.21 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 2k02 h ALA 19 CO 0.46 0.00 0.43 -0.22 0.00 0.00 0.00 179.25 179.92 2k02 h LYS 20 N 0.00 0.37 0.57 0.00 3.64 -1.95 1.25 116.57 120.45 2k02 h LYS 20 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2k02 h LYS 20 Cb 0.93 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2k02 h LYS 20 CO 0.00 0.25 -0.28 1.96 -2.27 0.00 0.00 179.45 179.11 2k02 h GLN 21 N 0.39 -0.74 0.00 1.90 1.08 -1.97 -2.49 115.11 113.27 2k02 h GLN 21 Ca 0.60 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.85 2k02 h GLN 21 Cb 1.20 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 2k02 h GLN 21 CO -0.55 -0.43 0.00 1.37 -0.95 0.00 0.00 178.83 178.26 2k02 h LEU 22 N -1.06 0.00 0.43 1.46 8.10 -1.55 -1.70 115.31 120.99 2k02 h LEU 22 Ca -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.89 2k02 h LEU 22 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 2k02 h LEU 22 CO 0.13 0.00 -0.21 0.77 -4.11 0.00 0.00 178.44 175.02 2k02 h SER 23 N 0.00 -0.49 0.64 0.17 4.64 0.16 -3.27 113.55 115.41 2k02 h SER 23 Ca 0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2k02 h SER 23 Cb 0.37 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2k02 h SER 23 CO 0.00 -0.08 -0.14 0.00 -0.87 0.00 0.00 176.83 175.74 2k02 h ALA 24 N -1.19 1.13 -0.28 5.18 0.00 -1.44 -1.12 119.26 121.53 2k02 h ALA 24 Ca -0.06 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2k02 h ALA 24 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k02 h ALA 24 CO 0.10 0.17 0.22 -0.09 0.00 0.00 0.00 179.25 179.64 2k02 h ARG 25 N 0.00 0.00 -0.02 0.00 9.65 -1.35 -1.74 114.38 120.91 2k02 h ARG 25 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2k02 h ARG 25 Cb 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2k02 h ARG 25 CO 0.02 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.07 2k02 n LEU 26 N -4.33 2.16 -1.02 3.80 7.99 -1.03 -4.97 117.00 119.59 2k02 n LEU 26 Ca 0.04 -2.28 -0.13 0.00 -0.01 0.00 0.00 56.01 53.62 2k02 n LEU 26 Cb 0.37 -0.12 -0.06 0.00 -0.11 0.00 0.00 43.42 43.50 2k02 n LEU 26 CO 0.34 0.56 -0.13 0.00 -1.51 0.00 0.00 177.39 176.66 2k02 n GLN 27 N -0.68 -1.31 -2.03 3.23 6.02 -0.66 -4.94 117.38 117.00 2k02 n GLN 27 Ca 0.05 0.95 -0.41 0.00 -0.01 0.00 0.00 57.00 57.58 2k02 n GLN 27 Cb 0.36 -5.19 -0.02 0.00 1.02 0.00 0.00 30.24 26.42 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 -2.30 2.57 -0.28 5.09 2.01 -0.46 -4.87 115.64 117.40 2k02 s THR 28 Ca 0.00 0.55 -0.41 0.00 0.31 0.00 0.00 61.69 62.14 2k02 s THR 28 Cb 0.00 -3.35 -0.17 0.00 0.01 0.00 0.00 72.50 68.99 2k02 s THR 28 CO 0.00 0.12 1.66 -2.65 -0.69 0.00 0.00 174.62 173.06 2k02 n PRO 29 N 1.09 0.89 -0.05 4.92 -0.02 -1.26 -4.57 135.00 135.99 2k02 n PRO 29 Ca 0.02 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2k02 n PRO 29 Cb 0.41 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 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 6.42 0.52 -0.56 -0.52 4.20 -1.89 -3.10 115.11 120.17 2k02 h GLN 30 Ca -0.46 -0.35 0.16 0.00 0.06 0.00 0.00 58.65 58.06 2k02 h GLN 30 Cb 1.33 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 2k02 h GLN 30 CO 0.94 0.96 0.59 -1.35 -0.67 0.00 0.00 178.83 179.30 2k02 h PRO 31 N 0.15 0.00 0.20 1.46 0.11 -1.89 0.11 132.00 132.13 2k02 h PRO 31 Ca 0.00 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.79 2k02 h PRO 31 Cb 0.96 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.09 2k02 h PRO 31 CO 0.08 0.00 -1.54 1.25 -0.21 0.00 0.00 178.00 177.58 2k02 h LEU 32 N 0.00 0.65 -0.64 2.35 7.12 -1.79 -3.34 115.31 119.66 2k02 h LEU 32 Ca 0.27 -0.92 0.13 0.00 0.13 0.00 0.00 57.88 57.49 2k02 h LEU 32 Cb 1.44 -0.21 -0.12 0.00 -0.53 0.00 0.00 40.66 41.24 2k02 h LEU 32 CO -0.00 1.71 -0.09 0.40 -0.13 0.00 0.00 178.44 180.33 2k02 h ILE 33 N 0.02 0.40 -0.76 4.05 1.08 -0.72 0.83 117.51 122.42 2k02 h ILE 33 Ca -0.30 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.22 2k02 h ILE 33 Cb 2.04 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 36.08 2k02 h ILE 33 CO 0.19 0.01 0.45 -0.78 -0.69 0.00 0.00 178.15 177.33 2k02 h ASP 34 N 0.04 0.68 0.92 1.72 1.82 -1.55 -0.15 116.42 119.91 2k02 h ASP 34 Ca 0.32 0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.87 2k02 h ASP 34 Cb 0.52 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 2k02 h ASP 34 CO -0.62 0.44 -0.54 0.00 -1.61 0.00 0.00 179.24 176.90 2k02 h ALA 35 N 1.38 0.85 0.22 -0.78 0.00 -0.93 -2.10 119.26 117.90 2k02 h ALA 35 Ca 0.34 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k02 h ALA 35 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k02 h ALA 35 CO -0.18 0.68 -0.11 1.98 0.00 0.00 0.00 179.25 181.62 2k02 h MET 36 N 0.00 -0.28 0.51 0.00 1.85 0.20 0.25 114.93 117.45 2k02 h MET 36 Ca -0.01 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.08 2k02 h MET 36 Cb 1.15 0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.25 2k02 h MET 36 CO 0.07 0.02 -0.24 -0.07 -0.40 0.00 0.00 176.91 176.29 2k02 h LEU 37 N -0.60 -0.58 -1.13 3.39 3.38 -1.13 -2.37 115.31 116.28 2k02 h LEU 37 Ca -0.03 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.05 2k02 h LEU 37 Cb 0.44 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 2k02 h LEU 37 CO 0.05 -0.33 0.61 -0.08 0.09 0.00 0.00 178.44 178.77 2k02 h GLU 38 N -0.79 0.80 -0.04 1.13 4.81 -1.44 -1.55 114.58 117.50 2k02 h GLU 38 Ca -0.07 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2k02 h GLU 38 Cb 0.57 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 2k02 h GLU 38 CO 0.11 0.53 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.65 2k02 h ARG 39 N 0.83 -0.27 -0.54 1.92 9.65 -0.18 1.26 114.38 127.05 2k02 h ARG 39 Ca 0.49 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.43 2k02 h ARG 39 Cb 0.66 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.26 2k02 h ARG 39 CO -0.26 -0.18 0.28 1.98 2.80 0.00 0.00 179.97 184.59 2k02 h MET 40 N -0.28 0.53 0.00 0.20 4.05 -0.79 -0.86 114.93 117.77 2k02 h MET 40 Ca 0.07 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2k02 h MET 40 Cb 0.38 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2k02 h MET 40 CO -0.20 0.35 -0.15 1.49 0.23 0.00 0.00 176.91 178.63 2k02 h GLU 41 N 0.54 0.00 -0.46 0.39 4.22 -0.81 -3.08 114.58 115.39 2k02 h GLU 41 Ca 0.23 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.81 2k02 h GLU 41 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2k02 h GLU 41 CO -0.16 0.15 0.58 0.00 -2.18 0.00 0.00 179.01 177.40 2k02 h ALA 42 N 1.85 2.17 0.00 2.92 0.00 0.31 1.02 119.26 127.53 2k02 h ALA 42 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2k02 h ALA 42 Cb 0.73 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2k02 h ALA 42 CO 0.02 -0.82 -1.13 0.52 0.00 0.00 0.00 179.25 177.85 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.62 -3.49 114.93 112.68 2k02 h MET 43 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2k02 h MET 43 Cb 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2k02 h MET 43 CO -0.00 0.50 0.00 0.41 1.06 0.00 0.00 176.91 178.88 2k02 n GLY 44 N 1.36 0.55 0.00 8.32 0.00 0.35 -5.12 105.19 110.65 2k02 n GLY 44 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2k02 n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k02 n LYS 45 N 0.00 0.00 0.00 1.61 4.76 -1.24 -5.05 118.16 118.25 2k02 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k02 n LYS 45 Cb 0.00 -0.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 2k02 n LYS 45 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k02 n VAL 46 N -0.46 0.00 -3.78 -0.18 0.31 -1.26 -4.97 118.33 107.99 2k02 n VAL 46 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2k02 n VAL 46 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2k02 n VAL 46 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2k02 s VAL 47 N 0.03 0.03 0.13 2.52 -7.23 -0.92 -5.07 120.40 109.90 2k02 s VAL 47 Ca 0.00 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 2k02 s VAL 47 Cb 0.00 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.34 2k02 s VAL 47 CO 0.00 -0.16 0.33 0.00 -0.31 0.00 0.00 175.10 174.96 2k02 s ARG 48 N -3.89 1.07 -0.27 4.82 1.04 -1.26 -1.41 118.95 119.05 2k02 s ARG 48 Ca 0.10 -0.92 0.01 0.00 -1.04 0.00 0.00 55.73 53.89 2k02 s ARG 48 Cb -0.00 0.42 0.08 0.00 -2.04 0.00 0.00 34.95 33.40 2k02 s ARG 48 CO -0.03 -0.40 -0.00 0.42 -0.04 0.00 0.00 175.30 175.25 2k02 s ILE 49 N -3.87 1.56 -0.20 4.99 -1.09 -0.60 -4.85 121.20 117.14 2k02 s ILE 49 Ca 0.08 -1.49 -0.21 0.00 -2.23 0.00 0.00 60.65 56.80 2k02 s ILE 49 Cb 0.03 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.92 2k02 s ILE 49 CO -0.07 -0.32 0.63 -0.94 -1.23 0.00 0.00 174.94 173.01 2k02 s SER 50 N 1.33 6.69 0.09 3.58 1.04 -1.26 0.83 113.70 126.00 2k02 s SER 50 Ca 0.01 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.31 2k02 s SER 50 Cb -0.19 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2k02 s SER 50 CO -0.10 -0.28 -0.09 -0.70 0.98 0.00 0.00 173.24 173.04 2k02 s GLU 51 N 1.94 0.81 -0.16 4.02 2.56 -0.49 -4.95 118.70 122.43 2k02 s GLU 51 Ca 0.29 -1.13 -0.17 0.00 0.00 0.00 0.00 54.97 53.96 2k02 s GLU 51 Cb -0.16 -0.47 -0.04 0.00 2.00 0.00 0.00 34.13 35.46 2k02 s GLU 51 CO 0.10 0.07 0.43 -0.08 -0.56 0.00 0.00 175.26 175.22 2k02 s THR 52 N -2.45 5.20 -0.60 -1.70 -1.32 -1.26 -2.28 115.64 111.24 2k02 s THR 52 Ca 0.04 0.81 -0.22 0.00 -1.21 0.00 0.00 61.69 61.12 2k02 s THR 52 Cb -0.03 -3.76 0.06 0.00 -1.51 0.00 0.00 72.50 67.26 2k02 s THR 52 CO -0.00 0.29 0.88 -0.94 -2.21 0.00 0.00 174.62 172.64 2k02 s SER 53 N 0.79 6.23 -0.34 8.08 1.04 -1.24 -5.01 113.70 123.26 2k02 s SER 53 Ca 0.22 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 2k02 s SER 53 Cb -0.15 -2.39 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2k02 s SER 53 CO 0.08 -1.26 0.31 -1.61 0.98 0.00 0.00 173.24 171.74 2k02 s GLU 54 N 3.69 3.56 -0.37 4.02 2.02 -1.26 -4.89 118.70 125.47 2k02 s GLU 54 Ca 0.23 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.70 2k02 s GLU 54 Cb -0.17 -3.80 0.17 0.00 0.10 0.00 0.00 34.13 30.44 2k02 s GLU 54 CO 0.13 -0.47 2.28 0.41 0.02 0.00 0.00 175.26 177.63 2k02 n GLY 55 N 5.01 4.23 1.85 -1.39 0.00 -1.26 -4.37 105.19 109.27 2k02 n GLY 55 Ca -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -5.94 4.00 0.15 0.00 1.02 -1.26 -4.89 118.68 111.75 2k02 s LEU 57 Ca 0.00 1.31 0.15 0.00 0.02 0.00 0.00 54.13 55.61 2k02 s LEU 57 Cb 0.00 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.60 2k02 s LEU 57 CO 0.00 -0.90 1.08 0.28 0.02 0.00 0.00 176.35 176.84 2k02 h SER 58 N 8.47 0.00 0.69 2.29 0.02 -1.99 -3.33 113.55 119.70 2k02 h SER 58 Ca -0.24 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.49 2k02 h SER 58 Cb 1.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 2k02 h SER 58 CO 1.01 0.58 -0.99 1.23 -1.14 0.00 0.00 176.83 177.51 2k02 h GLY 59 N 3.59 0.19 -3.05 -3.77 0.00 -1.99 -3.50 103.07 94.54 2k02 h GLY 59 Ca -0.09 -0.40 0.34 0.00 0.00 0.00 0.00 47.33 47.18 2k02 h GLY 59 CO 0.06 0.35 -0.66 -1.26 0.00 0.00 0.00 176.54 175.02 2k02 n SER 60 N -3.56 -7.82 -3.37 0.19 2.88 -1.25 -5.03 113.62 95.66 2k02 n SER 60 Ca -0.04 0.75 -0.12 0.00 -1.33 0.00 0.00 58.87 58.13 2k02 n SER 60 Cb 0.89 -4.23 -0.03 0.00 -0.75 0.00 0.00 64.21 60.10 2k02 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k02 n LYS 62 N -0.51 0.34 -2.65 0.00 4.81 -1.26 -4.99 118.16 113.90 2k02 n LYS 62 Ca -0.02 0.13 -0.41 0.00 -0.87 0.00 0.00 58.31 57.15 2k02 n LYS 62 Cb 0.61 -1.07 -0.05 0.00 0.02 0.00 0.00 35.03 34.54 2k02 n LYS 62 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2k02 s SER 63 N -5.56 7.45 0.03 3.14 1.04 -1.26 -5.06 113.70 113.49 2k02 s SER 63 Ca -0.18 1.97 0.08 0.00 0.48 0.00 0.00 55.95 58.29 2k02 s SER 63 Cb 0.03 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 2k02 s SER 63 CO 0.27 -0.06 -0.23 0.00 0.98 0.00 0.00 173.24 174.21 2k02 h PRO 65 N 4.98 0.48 0.00 0.00 0.13 -2.04 -3.39 132.00 132.16 2k02 h PRO 65 Ca -0.43 -0.43 -0.24 0.00 -0.87 0.00 0.00 66.00 64.02 2k02 h PRO 65 Cb 1.15 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2k02 h PRO 65 CO 0.44 1.07 -1.49 0.39 -0.23 0.00 0.00 178.00 178.18 2k02 n GLU 66 N -4.23 0.55 -1.01 0.86 -0.58 -1.26 -5.01 120.64 109.96 2k02 n GLU 66 Ca -0.09 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 2k02 n GLU 66 Cb 0.63 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k02 n GLY 67 N 1.41 0.41 3.67 0.62 0.00 -1.26 -4.97 105.19 105.07 2k02 n GLY 67 Ca -0.33 -1.03 -0.49 0.00 0.00 0.00 0.00 46.02 44.17 2k02 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k02 n LYS 68 N -2.82 1.95 -1.88 1.61 5.02 -1.26 -4.82 118.16 115.95 2k02 n LYS 68 Ca 0.00 0.71 -0.32 0.00 -2.02 0.00 0.00 58.31 56.68 2k02 n LYS 68 Cb 0.03 -2.48 -0.04 0.00 -0.02 0.00 0.00 35.03 32.52 2k02 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k02 s ALA 69 N 2.33 1.75 0.46 7.82 0.00 -1.26 -4.94 121.76 127.93 2k02 s ALA 69 Ca 0.87 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.18 2k02 s ALA 69 Cb -0.75 -4.41 0.08 0.00 0.00 0.00 0.00 23.12 18.04 2k02 s ALA 69 CO 0.47 -4.48 0.64 0.00 0.00 0.00 0.00 175.76 172.39 2k02 n ALA 70 N 14.45 0.96 -1.60 0.00 0.00 -1.26 -5.00 120.51 128.06 2k02 n ALA 70 Ca 0.32 -1.66 -0.50 0.00 0.00 0.00 0.00 53.44 51.60 2k02 n ALA 70 Cb 0.50 0.45 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 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 5.01 1.66 -0.05 0.00 1.70 -1.26 -3.62 118.95 122.39 2k02 s ARG 72 Ca 1.00 -1.09 -0.04 0.00 -0.47 0.00 0.00 55.73 55.14 2k02 s ARG 72 Cb -0.77 -1.84 0.02 0.00 -0.57 0.00 0.00 34.95 31.79 2k02 s ARG 72 CO 0.51 0.47 0.13 1.14 -1.08 0.00 0.00 175.30 176.47 2k02 s GLN 73 N -1.29 0.13 0.38 3.89 -2.07 -0.96 -3.44 119.66 116.29 2k02 s GLN 73 Ca 0.11 0.22 0.02 0.00 -1.82 0.00 0.00 55.36 53.89 2k02 s GLN 73 Cb -0.10 0.00 0.02 0.00 -1.09 0.00 0.00 33.01 31.84 2k02 s GLN 73 CO 0.02 -0.06 0.15 -0.85 -1.32 0.00 0.00 175.29 173.23 2k02 n GLU 74 N 3.34 1.01 -4.35 9.60 0.28 -1.26 -1.40 120.64 127.87 2k02 n GLU 74 Ca -0.16 -2.57 -0.28 0.00 -0.16 0.00 0.00 57.16 53.99 2k02 n GLU 74 Cb 0.57 0.49 -0.11 0.00 1.43 0.00 0.00 31.44 33.82 2k02 n GLU 74 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k02 s TRP 75 N -2.14 2.47 -0.23 -1.84 0.51 0.24 -3.99 118.94 113.96 2k02 s TRP 75 Ca 0.11 -0.29 -0.04 0.00 -2.12 0.00 0.00 56.10 53.76 2k02 s TRP 75 Cb -0.01 -1.25 -0.00 0.00 -0.81 0.00 0.00 33.47 31.40 2k02 s TRP 75 CO 0.07 0.46 -0.03 -0.46 -0.51 0.00 0.00 176.95 176.49 2k02 s TRP 76 N -1.50 3.00 -0.05 -1.98 -0.11 -0.22 -1.55 118.94 116.52 2k02 s TRP 76 Ca 0.21 -0.99 0.03 0.00 1.22 0.00 0.00 56.10 56.57 2k02 s TRP 76 Cb -0.09 -2.12 0.00 0.00 -1.50 0.00 0.00 33.47 29.76 2k02 s TRP 76 CO 0.11 -0.56 -0.14 0.00 -4.62 0.00 0.00 176.95 171.74 2k02 s ALA 77 N 1.47 1.30 0.32 5.86 0.00 -0.50 -1.77 121.76 128.43 2k02 s ALA 77 Ca 0.05 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2k02 s ALA 77 Cb -0.15 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.52 2k02 s ALA 77 CO -0.03 0.19 0.33 1.28 0.00 0.00 0.00 175.76 177.54 2k02 n LEU 78 N 3.40 0.00 0.00 0.00 4.32 -1.26 -2.17 117.00 121.29 2k02 n LEU 78 Ca -0.20 -1.51 0.00 0.00 -0.02 0.00 0.00 56.01 54.28 2k02 n LEU 78 Cb 0.53 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2k02 n LEU 78 CO 0.25 -0.52 0.25 -2.11 -1.22 0.00 0.00 177.39 174.04