#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 2.77 0.32 3.17 0.00 -1.26 -5.07 121.76 121.70 2k02 s ALA 2 Ca 0.00 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2k02 s ALA 2 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2k02 s ALA 2 CO 0.00 -0.62 0.14 0.43 0.00 0.00 0.00 175.76 175.72 2k02 n SER 3 N -1.48 0.77 0.18 0.00 7.64 -1.26 -5.04 113.62 114.43 2k02 n SER 3 Ca 0.10 -2.78 0.12 0.00 1.01 0.00 0.00 58.87 57.32 2k02 n SER 3 Cb 0.52 0.96 0.21 0.00 -1.01 0.00 0.00 64.21 64.90 2k02 n SER 3 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2k02 h LEU 4 N 0.00 0.00 -0.75 -3.43 8.10 -1.97 -3.31 115.31 113.95 2k02 h LEU 4 Ca -0.24 -0.01 0.15 0.00 0.11 0.00 0.00 57.88 57.89 2k02 h LEU 4 Cb 0.99 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 41.11 2k02 h LEU 4 CO 0.38 0.00 0.27 0.24 -4.11 0.00 0.00 178.44 175.23 2k02 h MET 5 N 0.00 0.39 0.58 0.17 2.86 -1.98 0.66 114.93 117.60 2k02 h MET 5 Ca 0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2k02 h MET 5 Cb 0.93 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2k02 h MET 5 CO 0.00 0.26 -0.39 0.93 1.06 0.00 0.00 176.91 178.76 2k02 h GLU 6 N 0.40 -0.90 -0.80 1.72 5.08 -2.01 -2.46 114.58 115.62 2k02 h GLU 6 Ca 0.41 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.87 2k02 h GLU 6 Cb 0.65 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2k02 h GLU 6 CO -0.43 -0.60 0.52 0.28 -1.00 0.00 0.00 179.01 177.79 2k02 h VAL 7 N -0.94 1.14 -0.09 3.13 2.07 -1.55 -2.52 116.25 117.49 2k02 h VAL 7 Ca -0.07 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2k02 h VAL 7 Cb 0.77 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2k02 h VAL 7 CO 0.04 0.18 -0.47 0.03 0.02 0.00 0.00 177.57 177.37 2k02 h ARG 8 N 0.99 -0.51 -0.43 1.57 3.08 0.73 0.32 114.38 120.13 2k02 h ARG 8 Ca 0.31 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.45 2k02 h ARG 8 Cb 0.02 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2k02 h ARG 8 CO -0.09 -0.34 0.17 0.38 -1.07 0.00 0.00 179.97 179.02 2k02 h ASP 9 N -0.53 0.19 0.15 7.04 3.04 -1.26 0.16 116.42 125.21 2k02 h ASP 9 Ca 0.02 0.04 0.01 0.00 -3.24 0.00 0.00 57.03 53.87 2k02 h ASP 9 Cb 0.60 0.02 -0.04 0.00 -1.04 0.00 0.00 39.33 38.87 2k02 h ASP 9 CO -0.37 0.14 -0.49 0.24 -2.04 0.00 0.00 179.24 176.73 2k02 h MET 10 N 0.34 -0.70 -0.91 4.15 2.86 -0.91 -1.05 114.93 118.72 2k02 h MET 10 Ca 0.20 0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 2k02 h MET 10 Cb 0.18 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 2k02 h MET 10 CO -0.19 -0.47 0.59 -0.07 1.06 0.00 0.00 176.91 177.83 2k02 h LEU 11 N -0.73 0.93 -2.10 1.22 3.38 -0.18 -0.58 115.31 117.25 2k02 h LEU 11 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2k02 h LEU 11 Cb 0.72 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2k02 h LEU 11 CO -0.25 0.61 0.16 0.00 0.09 0.00 0.00 178.44 179.05 2k02 h ALA 12 N 1.50 2.05 -0.52 1.53 0.00 0.20 0.37 119.26 124.39 2k02 h ALA 12 Ca 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2k02 h ALA 12 Cb 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2k02 h ALA 12 CO -0.13 -0.26 0.08 1.28 0.00 0.00 0.00 179.25 180.22 2k02 n LEU 13 N -4.24 5.18 0.02 0.00 4.77 -0.25 -4.70 117.00 117.78 2k02 n LEU 13 Ca 0.02 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.88 2k02 n LEU 13 Cb 0.29 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2k02 n LEU 13 CO 0.33 0.75 0.00 0.00 -1.33 0.00 0.00 177.39 177.13 2k02 n GLN 14 N -0.11 0.00 0.00 3.23 6.02 0.20 -5.05 117.38 121.67 2k02 n GLN 14 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2k02 n GLN 14 Cb 1.16 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.42 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 1.19 0.14 3.56 1.08 0.00 0.11 -5.00 105.19 106.27 2k02 n GLY 15 Ca 0.00 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 1.24 -3.57 1.61 3.00 -1.26 -4.65 116.66 113.03 2k02 n ARG 16 Ca 0.00 0.11 -0.10 0.00 -0.01 0.00 0.00 57.85 57.85 2k02 n ARG 16 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 32.46 29.04 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 7.86 1.44 0.19 5.56 -1.94 -0.54 -5.03 119.30 126.84 2k02 s MET 17 Ca 0.99 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 54.37 2k02 s MET 17 Cb -0.22 0.59 -0.04 0.00 2.01 0.00 0.00 34.83 37.18 2k02 s MET 17 CO 0.28 -0.64 0.14 -1.21 -0.01 0.00 0.00 175.02 173.59 2k02 s GLU 18 N -3.81 2.87 0.37 2.03 2.02 -1.26 -1.06 118.70 119.86 2k02 s GLU 18 Ca 0.05 -0.94 0.22 0.00 0.02 0.00 0.00 54.97 54.31 2k02 s GLU 18 Cb -0.02 -2.60 0.23 0.00 0.10 0.00 0.00 34.13 31.84 2k02 s GLU 18 CO -0.06 0.46 1.47 0.00 0.02 0.00 0.00 175.26 177.15 2k02 h ALA 19 N 2.17 0.86 -0.80 5.21 0.00 -1.97 -3.28 119.26 121.45 2k02 h ALA 19 Ca -0.48 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 54.57 2k02 h ALA 19 Cb 1.21 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2k02 h ALA 19 CO 0.62 0.11 0.57 1.57 0.00 0.00 0.00 179.25 182.12 2k02 h LYS 20 N 0.00 0.09 0.68 0.00 2.10 -1.95 -0.20 116.57 117.29 2k02 h LYS 20 Ca -0.01 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2k02 h LYS 20 Cb 1.07 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 32.38 2k02 h LYS 20 CO 0.01 0.06 -0.32 1.96 -2.00 0.00 0.00 179.45 179.15 2k02 h GLN 21 N 0.09 -0.87 0.00 0.07 4.20 -1.98 -1.71 115.11 114.91 2k02 h GLN 21 Ca 0.39 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.16 2k02 h GLN 21 Cb 1.41 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.39 2k02 h GLN 21 CO -0.04 -0.55 0.00 1.37 -0.67 0.00 0.00 178.83 178.94 2k02 h LEU 22 N -1.12 0.00 -0.06 1.46 8.10 -1.59 -1.72 115.31 120.38 2k02 h LEU 22 Ca -0.09 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.78 2k02 h LEU 22 Cb 0.73 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.96 2k02 h LEU 22 CO 0.15 0.00 -0.43 -1.28 -4.11 0.00 0.00 178.44 172.77 2k02 h SER 23 N 0.00 0.49 1.12 0.17 0.87 -0.85 -3.05 113.55 112.30 2k02 h SER 23 Ca 0.00 -0.67 -0.10 0.00 -1.23 0.00 0.00 61.79 59.78 2k02 h SER 23 Cb 0.28 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2k02 h SER 23 CO 0.00 1.09 -0.49 0.00 -0.53 0.00 0.00 176.83 176.90 2k02 h ALA 24 N 0.41 0.80 -0.10 6.23 0.00 -1.01 0.28 119.26 125.88 2k02 h ALA 24 Ca -0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2k02 h ALA 24 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k02 h ALA 24 CO 0.09 0.61 -0.33 -0.09 0.00 0.00 0.00 179.25 179.52 2k02 h ARG 25 N 0.00 0.18 0.00 0.00 9.65 -1.35 -3.14 114.38 119.72 2k02 h ARG 25 Ca -0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2k02 h ARG 25 Cb 1.18 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2k02 h ARG 25 CO 0.06 0.50 -0.00 1.28 2.80 0.00 0.00 179.97 184.61 2k02 n LEU 26 N -4.10 2.04 -2.43 3.80 7.99 -1.15 -5.08 117.00 118.08 2k02 n LEU 26 Ca -0.01 -2.24 -0.03 0.00 -0.01 0.00 0.00 56.01 53.71 2k02 n LEU 26 Cb 0.41 -0.11 -0.03 0.00 -0.11 0.00 0.00 43.42 43.58 2k02 n LEU 26 CO 0.40 0.54 -0.57 0.00 -1.51 0.00 0.00 177.39 176.26 2k02 n GLN 27 N -0.73 -4.65 -3.67 3.23 1.13 0.74 -5.05 117.38 108.38 2k02 n GLN 27 Ca 0.04 3.46 -0.13 0.00 -1.94 0.00 0.00 57.00 58.44 2k02 n GLN 27 Cb 0.36 -4.73 -0.08 0.00 0.11 0.00 0.00 30.24 25.89 2k02 n GLN 27 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k02 s THR 28 N -0.60 -0.00 0.17 5.09 2.01 0.20 -4.94 115.64 117.57 2k02 s THR 28 Ca -0.16 0.01 -0.33 0.00 0.31 0.00 0.00 61.69 61.52 2k02 s THR 28 Cb 0.01 -0.85 -0.16 0.00 0.01 0.00 0.00 72.50 71.52 2k02 s THR 28 CO 0.43 0.00 1.19 -2.65 -0.69 0.00 0.00 174.62 172.90 2k02 n PRO 29 N 3.04 1.24 0.02 4.92 -0.02 -1.26 -4.68 135.00 138.25 2k02 n PRO 29 Ca -0.15 0.44 -0.18 0.00 -2.02 0.00 0.00 63.50 61.59 2k02 n PRO 29 Cb 0.56 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.96 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 3.48 0.35 -0.96 -0.52 1.08 -1.87 -3.29 115.11 113.38 2k02 h GLN 30 Ca -0.43 -0.44 0.23 0.00 -1.45 0.00 0.00 58.65 56.56 2k02 h GLN 30 Cb 1.34 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 28.78 2k02 h GLN 30 CO 0.71 1.14 0.51 -1.35 -0.95 0.00 0.00 178.83 178.89 2k02 h PRO 31 N -0.24 0.50 -0.47 1.46 0.11 -1.76 0.55 132.00 132.14 2k02 h PRO 31 Ca -0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 2k02 h PRO 31 Cb 1.40 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2k02 h PRO 31 CO 0.12 0.33 0.21 1.25 -0.21 0.00 0.00 178.00 179.70 2k02 h LEU 32 N 0.51 0.63 -0.88 2.35 7.12 -1.84 -2.81 115.31 120.39 2k02 h LEU 32 Ca 0.61 -0.14 0.21 0.00 0.13 0.00 0.00 57.88 58.69 2k02 h LEU 32 Cb 1.16 -0.16 -0.12 0.00 -0.53 0.00 0.00 40.66 41.00 2k02 h LEU 32 CO -0.49 0.60 0.37 0.40 -0.13 0.00 0.00 178.44 179.18 2k02 h ILE 33 N 0.62 0.48 -1.00 4.05 1.08 -0.95 0.28 117.51 122.07 2k02 h ILE 33 Ca 0.16 -0.13 0.21 0.00 -0.39 0.00 0.00 64.86 64.71 2k02 h ILE 33 Cb 0.15 0.06 -0.10 0.00 -3.07 0.00 0.00 36.82 33.85 2k02 h ILE 33 CO -0.02 0.07 0.62 -0.78 -0.69 0.00 0.00 178.15 177.35 2k02 h ASP 34 N 0.39 0.69 1.31 1.72 1.82 -1.37 0.25 116.42 121.23 2k02 h ASP 34 Ca 0.54 0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 57.14 2k02 h ASP 34 Cb 1.02 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 2k02 h ASP 34 CO -0.53 0.21 -0.70 0.00 -1.61 0.00 0.00 179.24 176.62 2k02 h ALA 35 N 1.65 0.56 0.33 -0.78 0.00 -0.59 -1.99 119.26 118.46 2k02 h ALA 35 Ca 0.58 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k02 h ALA 35 Cb 1.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k02 h ALA 35 CO -0.37 0.86 -0.16 1.98 0.00 0.00 0.00 179.25 181.56 2k02 h MET 36 N 0.00 -0.43 -0.09 0.00 1.85 0.42 0.53 114.93 117.21 2k02 h MET 36 Ca -0.01 0.03 -0.20 0.00 -0.61 0.00 0.00 59.70 58.91 2k02 h MET 36 Cb 1.53 0.10 0.01 0.00 0.43 0.00 0.00 31.60 33.67 2k02 h MET 36 CO 0.09 -0.19 -0.73 -0.07 -0.40 0.00 0.00 176.91 175.61 2k02 h LEU 37 N -0.61 0.80 -0.30 3.39 4.07 -1.48 -1.79 115.31 119.39 2k02 h LEU 37 Ca -0.05 -0.67 -0.00 0.00 0.08 0.00 0.00 57.88 57.24 2k02 h LEU 37 Cb 0.44 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2k02 h LEU 37 CO 0.08 1.35 0.18 -0.08 -1.08 0.00 0.00 178.44 178.88 2k02 h GLU 38 N 0.32 0.40 -0.48 1.13 4.57 -1.38 -1.35 114.58 117.79 2k02 h GLU 38 Ca -0.07 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2k02 h GLU 38 Cb 1.38 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 2k02 h GLU 38 CO 0.15 0.32 0.05 -0.09 -1.18 0.00 0.00 179.01 178.26 2k02 h ARG 39 N 0.38 0.82 -0.38 1.92 2.43 0.02 0.20 114.38 119.77 2k02 h ARG 39 Ca 0.11 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2k02 h ARG 39 Cb 0.02 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 2k02 h ARG 39 CO -0.02 0.84 0.12 1.98 -1.51 0.00 0.00 179.97 181.37 2k02 h MET 40 N 0.69 0.25 0.00 0.20 4.05 -1.09 -1.18 114.93 117.85 2k02 h MET 40 Ca 0.14 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2k02 h MET 40 Cb 0.43 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2k02 h MET 40 CO 0.01 0.17 -0.13 1.49 0.23 0.00 0.00 176.91 178.68 2k02 h GLU 41 N 0.26 0.00 -0.53 0.39 4.22 -1.13 -3.21 114.58 114.58 2k02 h GLU 41 Ca 0.17 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.77 2k02 h GLU 41 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2k02 h GLU 41 CO -0.19 0.13 0.60 0.00 -2.18 0.00 0.00 179.01 177.37 2k02 h ALA 42 N 1.87 2.27 0.00 2.92 0.00 0.70 1.07 119.26 128.09 2k02 h ALA 42 Ca -0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2k02 h ALA 42 Cb 0.91 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2k02 h ALA 42 CO 0.02 -0.88 -1.11 0.52 0.00 0.00 0.00 179.25 177.80 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.61 -3.48 114.93 112.70 2k02 h MET 43 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2k02 h MET 43 Cb 1.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.12 2k02 h MET 43 CO -0.00 0.60 0.00 0.41 1.06 0.00 0.00 176.91 178.98 2k02 n GLY 44 N 1.37 0.76 0.00 8.32 0.00 0.37 -5.09 105.19 110.91 2k02 n GLY 44 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.25 -5.04 118.16 118.25 2k02 n LYS 45 Ca 0.00 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2k02 n LYS 45 Cb 0.00 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.03 0.00 -3.73 -0.18 0.31 -1.26 -4.99 118.33 107.45 2k02 n VAL 46 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2k02 n VAL 46 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2k02 n VAL 46 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2k02 s VAL 47 N 0.00 0.03 0.07 2.52 0.11 -0.85 -5.06 120.40 117.22 2k02 s VAL 47 Ca 0.00 -0.23 -0.08 0.00 -2.93 0.00 0.00 61.98 58.74 2k02 s VAL 47 Cb 0.00 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2k02 s VAL 47 CO 0.00 -0.13 0.16 0.00 -3.33 0.00 0.00 175.10 171.80 2k02 s ARG 48 N -0.68 0.78 -0.17 1.54 1.04 -1.26 -1.41 118.95 118.79 2k02 s ARG 48 Ca -0.08 -0.93 -0.01 0.00 -1.04 0.00 0.00 55.73 53.67 2k02 s ARG 48 Cb -0.04 0.31 0.05 0.00 -2.04 0.00 0.00 34.95 33.23 2k02 s ARG 48 CO 0.03 -0.23 -0.01 0.42 -0.04 0.00 0.00 175.30 175.47 2k02 s ILE 49 N -3.59 0.82 -0.22 4.99 1.09 0.10 -4.89 121.20 119.49 2k02 s ILE 49 Ca 0.03 -0.54 -0.29 0.00 -1.10 0.00 0.00 60.65 58.75 2k02 s ILE 49 Cb 0.04 -1.12 0.00 0.00 -1.06 0.00 0.00 42.46 40.32 2k02 s ILE 49 CO -0.09 0.00 1.16 -0.94 -0.10 0.00 0.00 174.94 174.97 2k02 s SER 50 N 1.75 6.98 -0.08 3.58 1.04 -1.26 0.16 113.70 125.86 2k02 s SER 50 Ca 0.00 1.45 0.04 0.00 0.48 0.00 0.00 55.95 57.92 2k02 s SER 50 Cb -0.16 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 2k02 s SER 50 CO -0.07 -0.77 -0.23 -0.70 0.98 0.00 0.00 173.24 172.45 2k02 s GLU 51 N 3.46 2.86 0.29 4.02 2.12 -0.66 -4.95 118.70 125.85 2k02 s GLU 51 Ca 0.49 -0.86 0.06 0.00 0.36 0.00 0.00 54.97 55.03 2k02 s GLU 51 Cb -0.17 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.87 2k02 s GLU 51 CO 0.12 0.29 -0.04 -0.08 -0.54 0.00 0.00 175.26 175.01 2k02 s THR 52 N 0.09 1.57 -0.29 -1.70 -1.32 -1.26 -1.90 115.64 110.82 2k02 s THR 52 Ca -0.10 -2.10 -0.20 0.00 -1.21 0.00 0.00 61.69 58.08 2k02 s THR 52 Cb -0.16 -2.52 0.18 0.00 -1.51 0.00 0.00 72.50 68.50 2k02 s THR 52 CO 0.06 -0.25 1.23 -0.94 -2.21 0.00 0.00 174.62 172.52 2k02 s SER 53 N -3.46 -0.19 0.00 8.08 1.04 -1.25 -5.04 113.70 112.88 2k02 s SER 53 Ca 0.31 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2k02 s SER 53 Cb 0.05 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.96 2k02 s SER 53 CO 0.13 -0.05 0.00 -0.62 0.98 0.00 0.00 173.24 173.67 2k02 n GLU 54 N 2.69 0.00 0.00 4.02 -0.58 -1.26 -4.59 120.64 120.93 2k02 n GLU 54 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2k02 n GLU 54 Cb 0.57 -0.35 0.00 0.00 -0.57 0.00 0.00 31.44 31.08 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 1.95 0.48 2.12 0.62 0.00 -1.26 -5.05 105.19 104.04 2k02 n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k02 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k02 n LEU 57 N -3.07 -4.00 -0.01 0.00 4.77 -1.26 -4.93 117.00 108.50 2k02 n LEU 57 Ca 0.00 -0.72 0.03 0.00 -0.03 0.00 0.00 56.01 55.29 2k02 n LEU 57 Cb 0.00 -2.57 -0.07 0.00 -2.33 0.00 0.00 43.42 38.45 2k02 n LEU 57 CO 0.00 -0.01 -0.64 -1.54 -1.33 0.00 0.00 177.39 173.87 2k02 n SER 58 N -2.47 2.89 0.00 -1.43 3.41 -1.26 -4.94 113.62 109.81 2k02 n SER 58 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2k02 n SER 58 Cb 0.59 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 2k02 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k02 n GLY 59 N 2.07 0.60 0.02 5.00 0.00 -1.26 -4.98 105.19 106.64 2k02 n GLY 59 Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2k02 n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k02 n SER 60 N 0.00 3.78 0.11 1.61 3.41 -1.26 -5.02 113.62 116.25 2k02 n SER 60 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2k02 n SER 60 Cb 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2k02 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k02 h LYS 62 N 0.00 0.22 -5.42 0.00 2.10 -2.00 -3.46 116.57 108.02 2k02 h LYS 62 Ca 0.00 -0.32 0.01 0.00 -2.00 0.00 0.00 60.65 58.33 2k02 h LYS 62 Cb 0.00 0.11 -0.07 0.00 -0.90 0.00 0.00 32.23 31.37 2k02 h LYS 62 CO 0.00 1.11 -1.08 0.43 -2.00 0.00 0.00 179.45 177.91 2k02 n SER 63 N -4.32 -3.77 -3.56 7.07 7.64 -1.26 -4.85 113.62 110.56 2k02 n SER 63 Ca -0.12 1.20 -0.29 0.00 1.01 0.00 0.00 58.87 60.67 2k02 n SER 63 Cb 0.67 -4.10 -0.13 0.00 -1.01 0.00 0.00 64.21 59.64 2k02 n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k02 h PRO 65 N 7.21 -0.41 0.00 0.00 0.11 -1.96 -3.47 132.00 133.48 2k02 h PRO 65 Ca -0.01 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2k02 h PRO 65 Cb 0.97 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k02 h PRO 65 CO 0.36 -0.28 0.00 -1.91 -0.21 0.00 0.00 178.00 175.96 2k02 n GLU 66 N -5.43 0.00 -0.39 1.05 4.07 -1.26 -5.01 120.64 113.68 2k02 n GLU 66 Ca -0.03 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.09 2k02 n GLU 66 Cb 0.35 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.76 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 -0.79 1.16 3.54 8.31 0.00 -1.26 -5.04 105.19 111.10 2k02 n GLY 67 Ca 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 2k02 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k02 n LYS 68 N -0.27 0.59 -0.47 1.61 4.81 -1.26 -4.69 118.16 118.48 2k02 n LYS 68 Ca 0.03 -0.35 0.06 0.00 -0.87 0.00 0.00 58.31 57.18 2k02 n LYS 68 Cb 0.67 -3.01 -0.02 0.00 0.02 0.00 0.00 35.03 32.69 2k02 n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k02 n ALA 69 N 15.14 -1.97 -3.17 3.14 0.00 -1.26 -4.98 120.51 127.41 2k02 n ALA 69 Ca 0.48 0.15 0.04 0.00 0.00 0.00 0.00 53.44 54.11 2k02 n ALA 69 Cb 0.39 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 2k02 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k02 s ALA 70 N -1.54 -3.31 -0.10 0.00 0.00 -1.26 -5.10 121.76 110.45 2k02 s ALA 70 Ca 0.00 1.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 2k02 s ALA 70 Cb 0.00 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.85 2k02 s ALA 70 CO 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 175.76 174.79 2k02 s ARG 72 N 1.94 -0.00 -0.02 0.00 1.70 -1.26 -3.81 118.95 117.49 2k02 s ARG 72 Ca 0.04 0.30 0.01 0.00 -0.47 0.00 0.00 55.73 55.61 2k02 s ARG 72 Cb -0.13 -0.28 0.01 0.00 -0.57 0.00 0.00 34.95 33.98 2k02 s ARG 72 CO -0.06 -0.21 -0.03 1.14 -1.08 0.00 0.00 175.30 175.06 2k02 s GLN 73 N 1.39 0.48 0.68 3.89 0.00 -0.80 -3.25 119.66 122.06 2k02 s GLN 73 Ca -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 55.36 55.24 2k02 s GLN 73 Cb -0.12 -0.53 0.11 0.00 0.00 0.00 0.00 33.01 32.46 2k02 s GLN 73 CO -0.04 -0.03 0.95 -1.21 0.00 0.00 0.00 175.29 174.96 2k02 s GLU 74 N 0.56 1.86 -0.11 9.60 0.41 -1.26 -1.65 118.70 128.11 2k02 s GLU 74 Ca -0.06 -1.08 0.04 0.00 -0.41 0.00 0.00 54.97 53.45 2k02 s GLU 74 Cb -0.10 -2.37 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2k02 s GLU 74 CO -0.01 -1.29 -0.23 -0.46 -0.49 0.00 0.00 175.26 172.78 2k02 s TRP 75 N -3.05 2.59 -0.11 1.61 -0.11 0.43 -3.99 118.94 116.31 2k02 s TRP 75 Ca 0.64 -1.09 -0.05 0.00 1.22 0.00 0.00 56.10 56.82 2k02 s TRP 75 Cb -0.06 -1.73 -0.04 0.00 -1.50 0.00 0.00 33.47 30.14 2k02 s TRP 75 CO 0.43 -0.45 0.09 -0.46 -4.62 0.00 0.00 176.95 171.94 2k02 s TRP 76 N 0.43 3.45 -0.25 5.86 -0.11 -0.23 0.01 118.94 128.09 2k02 s TRP 76 Ca -0.17 0.41 -0.18 0.00 1.22 0.00 0.00 56.10 57.38 2k02 s TRP 76 Cb -0.17 -1.88 0.07 0.00 -1.50 0.00 0.00 33.47 29.98 2k02 s TRP 76 CO 0.07 0.64 0.64 0.00 -4.62 0.00 0.00 176.95 173.68 2k02 s ALA 77 N -0.98 -1.64 0.50 5.86 0.00 -0.50 -1.47 121.76 123.52 2k02 s ALA 77 Ca 0.15 2.03 0.06 0.00 0.00 0.00 0.00 51.96 54.19 2k02 s ALA 77 Cb -0.12 -1.19 0.06 0.00 0.00 0.00 0.00 23.12 21.87 2k02 s ALA 77 CO 0.04 -0.33 0.50 1.28 0.00 0.00 0.00 175.76 177.25 2k02 n LEU 78 N 3.55 0.00 0.00 0.00 4.32 -1.26 -2.02 117.00 121.59 2k02 n LEU 78 Ca -0.17 -2.41 0.00 0.00 -0.02 0.00 0.00 56.01 53.41 2k02 n LEU 78 Cb 0.57 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 2k02 n LEU 78 CO 0.03 -0.60 0.21 -1.14 -1.22 0.00 0.00 177.39 174.66