#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 3.54 0.07 3.17 0.00 -1.26 -5.08 121.76 122.20 2k02 s ALA 2 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.10 2k02 s ALA 2 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 2k02 s ALA 2 CO 0.00 0.37 -0.07 -1.12 0.00 0.00 0.00 175.76 174.94 2k02 s SER 3 N -1.19 0.95 0.60 0.00 0.01 -1.26 -5.03 113.70 107.78 2k02 s SER 3 Ca 0.32 -0.78 0.35 0.00 1.31 0.00 0.00 55.95 57.16 2k02 s SER 3 Cb -0.20 0.07 1.91 0.00 0.21 0.00 0.00 66.02 68.01 2k02 s SER 3 CO 0.21 -0.35 2.22 0.17 0.41 0.00 0.00 173.24 175.91 2k02 h LEU 4 N 3.73 0.00 -0.95 2.44 8.10 -1.98 -2.47 115.31 124.18 2k02 h LEU 4 Ca -0.35 0.00 0.07 0.00 0.11 0.00 0.00 57.88 57.71 2k02 h LEU 4 Cb 1.18 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 41.33 2k02 h LEU 4 CO 0.53 0.03 0.60 -0.03 -4.11 0.00 0.00 178.44 175.46 2k02 h MET 5 N 0.00 1.04 0.53 0.17 4.05 -1.98 0.20 114.93 118.94 2k02 h MET 5 Ca -0.00 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 2k02 h MET 5 Cb 0.15 -0.24 0.01 0.00 -0.80 0.00 0.00 31.60 30.72 2k02 h MET 5 CO 0.00 0.69 -0.26 0.93 0.23 0.00 0.00 176.91 178.51 2k02 h GLU 6 N 1.08 -0.69 -0.94 0.39 5.08 -1.87 -2.44 114.58 115.19 2k02 h GLU 6 Ca 0.42 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.98 2k02 h GLU 6 Cb 0.21 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2k02 h GLU 6 CO -0.19 -0.46 0.60 -0.24 -1.00 0.00 0.00 179.01 177.72 2k02 h VAL 7 N -0.75 0.82 -0.04 3.13 3.04 -1.65 -0.77 116.25 120.03 2k02 h VAL 7 Ca -0.07 -0.26 0.03 0.00 -1.01 0.00 0.00 66.70 65.38 2k02 h VAL 7 Cb 0.55 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.77 2k02 h VAL 7 CO 0.12 0.14 -0.51 -0.09 -1.01 0.00 0.00 177.57 176.22 2k02 h ARG 8 N 0.76 -0.61 -0.50 4.17 2.43 -0.45 -1.06 114.38 119.12 2k02 h ARG 8 Ca 0.48 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.59 2k02 h ARG 8 Cb 0.73 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2k02 h ARG 8 CO -0.25 -0.40 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.27 2k02 h ASP 9 N -0.63 0.90 -0.15 -3.80 3.32 -0.92 -0.25 116.42 114.90 2k02 h ASP 9 Ca 0.03 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 56.85 2k02 h ASP 9 Cb 0.70 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.94 2k02 h ASP 9 CO -0.37 1.02 -0.36 0.24 -1.72 0.00 0.00 179.24 178.05 2k02 h MET 10 N 0.82 -0.41 -0.09 3.56 2.86 -0.56 -0.94 114.93 120.17 2k02 h MET 10 Ca 0.13 0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.64 2k02 h MET 10 Cb 0.62 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.38 2k02 h MET 10 CO 0.04 -0.27 -0.58 -0.07 1.06 0.00 0.00 176.91 177.09 2k02 h LEU 11 N -0.42 0.68 -1.85 1.22 4.07 -1.20 -2.99 115.31 114.81 2k02 h LEU 11 Ca 0.09 -0.66 0.19 0.00 0.08 0.00 0.00 57.88 57.59 2k02 h LEU 11 Cb 0.58 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 2k02 h LEU 11 CO -0.38 1.23 0.64 0.00 -1.08 0.00 0.00 178.44 178.84 2k02 h ALA 12 N 0.46 2.48 -0.24 1.53 0.00 -0.74 0.84 119.26 123.59 2k02 h ALA 12 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k02 h ALA 12 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2k02 h ALA 12 CO 0.12 -0.98 -0.00 1.28 0.00 0.00 0.00 179.25 179.66 2k02 n LEU 13 N -3.78 3.74 0.00 0.00 4.32 -0.38 -4.67 117.00 116.24 2k02 n LEU 13 Ca 0.14 -3.09 0.00 0.00 -0.02 0.00 0.00 56.01 53.04 2k02 n LEU 13 Cb 0.88 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2k02 n LEU 13 CO 0.30 0.72 -0.08 0.00 -1.22 0.00 0.00 177.39 177.11 2k02 n GLN 14 N -0.66 0.00 0.00 3.23 6.02 0.23 -5.04 117.38 121.15 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 0.88 -0.15 0.00 0.00 1.02 0.00 0.00 30.24 31.99 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 1.76 0.52 3.80 1.08 0.00 0.22 -5.06 105.19 107.50 2k02 n GLY 15 Ca 0.00 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 2k02 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k02 s ARG 16 N -0.54 4.31 -0.02 1.61 3.00 -1.26 -4.55 118.95 121.49 2k02 s ARG 16 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 55.73 56.29 2k02 s ARG 16 Cb 0.00 -3.25 0.11 0.00 0.00 0.00 0.00 34.95 31.81 2k02 s ARG 16 CO 0.00 0.61 1.30 1.41 0.00 0.00 0.00 175.30 178.61 2k02 s MET 17 N -1.07 0.37 0.17 3.54 1.75 -0.28 -5.03 119.30 118.75 2k02 s MET 17 Ca 0.31 -0.23 0.03 0.00 -1.25 0.00 0.00 55.69 54.55 2k02 s MET 17 Cb -0.20 0.11 -0.05 0.00 2.84 0.00 0.00 34.83 37.53 2k02 s MET 17 CO 0.21 -0.17 -0.03 -1.83 -0.65 0.00 0.00 175.02 172.55 2k02 s GLU 18 N -2.16 1.10 0.36 4.11 -1.05 -1.26 0.74 118.70 120.54 2k02 s GLU 18 Ca 0.23 -1.52 0.19 0.00 -0.15 0.00 0.00 54.97 53.73 2k02 s GLU 18 Cb 0.02 -0.39 0.21 0.00 -0.44 0.00 0.00 34.13 33.53 2k02 s GLU 18 CO -0.02 -0.07 1.53 0.00 0.95 0.00 0.00 175.26 177.65 2k02 h ALA 19 N 2.71 0.83 -0.47 -0.84 0.00 -1.96 -3.34 119.26 116.19 2k02 h ALA 19 Ca -0.37 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.39 2k02 h ALA 19 Cb 1.20 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2k02 h ALA 19 CO 0.63 0.33 -0.28 -0.22 0.00 0.00 0.00 179.25 179.72 2k02 h LYS 20 N 0.00 -0.17 -0.20 0.00 3.64 -1.95 0.78 116.57 118.66 2k02 h LYS 20 Ca -0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2k02 h LYS 20 Cb 1.20 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2k02 h LYS 20 CO 0.03 -0.11 -0.14 1.96 -2.27 0.00 0.00 179.45 178.93 2k02 h GLN 21 N -0.17 -0.13 0.00 1.90 4.20 -1.96 0.55 115.11 119.50 2k02 h GLN 21 Ca 0.21 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 2k02 h GLN 21 Cb 0.51 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2k02 h GLN 21 CO -0.57 -0.08 -0.25 -0.07 -0.67 0.00 0.00 178.83 177.18 2k02 h LEU 22 N -0.13 0.00 -0.22 1.46 3.38 -1.45 -1.36 115.31 116.99 2k02 h LEU 22 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2k02 h LEU 22 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2k02 h LEU 22 CO -0.29 0.25 -0.64 -1.28 0.09 0.00 0.00 178.44 176.58 2k02 h SER 23 N 0.00 0.00 0.70 -0.43 0.87 0.21 -3.25 113.55 111.64 2k02 h SER 23 Ca -0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.29 2k02 h SER 23 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2k02 h SER 23 CO 0.03 0.64 -1.23 0.00 -0.53 0.00 0.00 176.83 175.74 2k02 h ALA 24 N 1.36 0.19 0.00 6.23 0.00 0.65 1.20 119.26 128.90 2k02 h ALA 24 Ca -0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2k02 h ALA 24 Cb 1.40 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2k02 h ALA 24 CO 0.08 1.07 -0.04 -0.09 0.00 0.00 0.00 179.25 180.27 2k02 h ARG 25 N 0.05 0.00 -0.08 0.00 9.65 -1.31 -2.16 114.38 120.54 2k02 h ARG 25 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 2k02 h ARG 25 Cb 1.93 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.51 2k02 h ARG 25 CO 0.18 0.04 0.00 1.28 2.80 0.00 0.00 179.97 184.27 2k02 n LEU 26 N -3.71 2.08 -1.55 3.80 4.77 -1.23 -4.97 117.00 116.19 2k02 n LEU 26 Ca -0.03 -1.84 -0.19 0.00 -0.03 0.00 0.00 56.01 53.93 2k02 n LEU 26 Cb 0.14 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2k02 n LEU 26 CO 0.28 0.52 -0.19 0.00 -1.33 0.00 0.00 177.39 176.67 2k02 n GLN 27 N -0.16 -1.33 -2.09 3.23 6.02 -0.67 -4.94 117.38 117.43 2k02 n GLN 27 Ca 0.03 1.11 -0.41 0.00 -0.01 0.00 0.00 57.00 57.73 2k02 n GLN 27 Cb 0.26 -5.45 -0.02 0.00 1.02 0.00 0.00 30.24 26.05 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 -2.73 2.66 0.14 5.09 2.01 0.41 -4.91 115.64 118.30 2k02 s THR 28 Ca 0.00 0.66 -0.34 0.00 0.31 0.00 0.00 61.69 62.32 2k02 s THR 28 Cb 0.00 -3.42 -0.16 0.00 0.01 0.00 0.00 72.50 68.93 2k02 s THR 28 CO 0.00 0.15 1.24 -2.65 -0.69 0.00 0.00 174.62 172.67 2k02 n PRO 29 N 0.73 1.18 0.03 4.92 -0.02 -1.26 -4.60 135.00 135.98 2k02 n PRO 29 Ca 0.00 0.42 -0.21 0.00 -2.02 0.00 0.00 63.50 61.70 2k02 n PRO 29 Cb 0.42 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 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 3.85 0.27 -1.02 -0.52 4.20 -1.91 -3.31 115.11 116.67 2k02 h GLN 30 Ca -0.45 -0.46 0.26 0.00 0.06 0.00 0.00 58.65 58.07 2k02 h GLN 30 Cb 1.34 0.17 -0.12 0.00 0.30 0.00 0.00 27.48 29.17 2k02 h GLN 30 CO 0.73 1.22 0.61 -1.35 -0.67 0.00 0.00 178.83 179.37 2k02 h PRO 31 N -0.36 0.50 -0.31 1.46 0.11 -1.74 0.26 132.00 131.92 2k02 h PRO 31 Ca -0.22 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.79 2k02 h PRO 31 Cb 1.68 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.67 2k02 h PRO 31 CO 0.10 0.33 -0.10 1.25 -0.21 0.00 0.00 178.00 179.37 2k02 h LEU 32 N 0.51 0.62 -1.34 2.35 7.12 -1.80 -3.03 115.31 119.73 2k02 h LEU 32 Ca 0.65 -0.38 0.28 0.00 0.13 0.00 0.00 57.88 58.55 2k02 h LEU 32 Cb 1.35 -0.17 -0.10 0.00 -0.53 0.00 0.00 40.66 41.21 2k02 h LEU 32 CO -0.45 0.86 0.68 0.40 -0.13 0.00 0.00 178.44 179.79 2k02 h ILE 33 N 0.37 0.50 -1.06 4.05 1.08 -1.03 0.18 117.51 121.59 2k02 h ILE 33 Ca 0.07 -0.13 0.29 0.00 -0.39 0.00 0.00 64.86 64.70 2k02 h ILE 33 Cb 0.61 0.08 -0.11 0.00 -3.07 0.00 0.00 36.82 34.32 2k02 h ILE 33 CO 0.04 0.07 0.67 -0.78 -0.69 0.00 0.00 178.15 177.45 2k02 h ASP 34 N 0.38 0.48 0.96 1.72 1.82 -1.40 0.65 116.42 121.04 2k02 h ASP 34 Ca 0.61 0.11 -0.21 0.00 -0.39 0.00 0.00 57.03 57.16 2k02 h ASP 34 Cb 1.56 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 41.59 2k02 h ASP 34 CO -0.32 0.03 -1.07 0.00 -1.61 0.00 0.00 179.24 176.28 2k02 h ALA 35 N 1.67 0.45 -0.21 -0.78 0.00 -0.82 -2.19 119.26 117.38 2k02 h ALA 35 Ca 0.65 -0.95 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2k02 h ALA 35 Cb 1.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2k02 h ALA 35 CO -0.39 1.24 -0.01 1.98 0.00 0.00 0.00 179.25 182.07 2k02 h MET 36 N 0.00 0.05 0.06 0.00 1.85 0.49 0.74 114.93 118.13 2k02 h MET 36 Ca -0.05 -0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.93 2k02 h MET 36 Cb 1.77 -0.01 0.01 0.00 0.43 0.00 0.00 31.60 33.80 2k02 h MET 36 CO 0.12 0.04 -0.46 -0.07 -0.40 0.00 0.00 176.91 176.13 2k02 h LEU 37 N 0.05 0.30 -0.62 3.39 -0.00 -1.49 -2.28 115.31 114.67 2k02 h LEU 37 Ca 0.10 -0.92 0.08 0.00 -0.00 0.00 0.00 57.88 57.14 2k02 h LEU 37 Cb 0.13 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.63 2k02 h LEU 37 CO -0.17 1.19 0.27 -0.08 -0.00 0.00 0.00 178.44 179.65 2k02 h GLU 38 N -0.55 0.48 -0.09 1.13 4.81 -1.31 0.26 114.58 119.31 2k02 h GLU 38 Ca -0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2k02 h GLU 38 Cb 1.31 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2k02 h GLU 38 CO 0.09 0.32 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.58 2k02 h ARG 39 N 0.49 0.16 -0.30 1.92 2.43 0.41 0.39 114.38 119.87 2k02 h ARG 39 Ca 0.30 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 2k02 h ARG 39 Cb 0.32 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2k02 h ARG 39 CO -0.26 0.44 -0.02 1.98 -1.51 0.00 0.00 179.97 180.60 2k02 h MET 40 N -0.14 0.06 0.00 0.20 4.05 -0.85 -0.58 114.93 117.67 2k02 h MET 40 Ca 0.02 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2k02 h MET 40 Cb 0.38 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2k02 h MET 40 CO 0.01 0.04 0.00 0.93 0.23 0.00 0.00 176.91 178.12 2k02 h GLU 41 N 0.06 0.00 -0.63 0.39 4.39 -0.47 -3.21 114.58 115.11 2k02 h GLU 41 Ca 0.15 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.03 2k02 h GLU 41 Cb 0.20 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2k02 h GLU 41 CO -0.26 0.00 0.62 0.00 -1.16 0.00 0.00 179.01 178.20 2k02 h ALA 42 N 2.16 2.42 0.00 3.43 0.00 0.15 1.16 119.26 128.57 2k02 h ALA 42 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2k02 h ALA 42 Cb 0.67 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k02 h ALA 42 CO 0.00 -0.94 -0.57 0.52 0.00 0.00 0.00 179.25 178.26 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.64 -3.48 114.93 112.67 2k02 h MET 43 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2k02 h MET 43 Cb 1.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.19 2k02 h MET 43 CO -0.00 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.71 2k02 n GLY 44 N 1.22 0.84 0.00 8.32 0.00 0.40 -5.08 105.19 110.89 2k02 n GLY 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.98 118.16 118.32 2k02 n LYS 45 Ca 0.00 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 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 -0.64 0.00 -3.75 -0.18 0.31 -1.26 -5.08 118.33 107.72 2k02 n VAL 46 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 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 -0.69 -1.32 0.00 0.00 176.83 174.82 2k02 s VAL 47 N -0.64 0.05 -0.24 2.52 1.01 -0.13 -4.85 120.40 118.13 2k02 s VAL 47 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 2k02 s VAL 47 Cb 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.83 2k02 s VAL 47 CO 0.00 -0.25 0.64 0.00 0.00 0.00 0.00 175.10 175.50 2k02 s ARG 48 N -1.27 0.75 -0.13 2.72 3.03 -1.26 -1.21 118.95 121.58 2k02 s ARG 48 Ca -0.13 0.90 0.02 0.00 2.03 0.00 0.00 55.73 58.55 2k02 s ARG 48 Cb -0.05 0.36 0.00 0.00 -1.03 0.00 0.00 34.95 34.23 2k02 s ARG 48 CO 0.04 -0.09 -0.20 0.42 -1.13 0.00 0.00 175.30 174.34 2k02 s ILE 49 N 0.38 2.33 -0.27 4.99 -1.09 -0.65 -4.88 121.20 122.01 2k02 s ILE 49 Ca -0.00 -0.90 -0.15 0.00 -2.23 0.00 0.00 60.65 57.37 2k02 s ILE 49 Cb -0.05 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 2k02 s ILE 49 CO 0.00 0.54 0.37 -0.94 -1.23 0.00 0.00 174.94 173.68 2k02 s SER 50 N 0.59 6.25 0.02 3.58 1.04 -1.26 0.13 113.70 124.05 2k02 s SER 50 Ca -0.11 0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.63 2k02 s SER 50 Cb -0.16 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 2k02 s SER 50 CO 0.03 -0.18 -0.09 -0.70 0.98 0.00 0.00 173.24 173.28 2k02 s GLU 51 N 2.06 0.65 -0.16 4.02 2.56 -0.48 -4.99 118.70 122.36 2k02 s GLU 51 Ca 0.15 -0.56 -0.06 0.00 0.00 0.00 0.00 54.97 54.50 2k02 s GLU 51 Cb -0.16 -0.57 -0.04 0.00 2.00 0.00 0.00 34.13 35.37 2k02 s GLU 51 CO 0.10 0.14 0.03 0.95 -0.56 0.00 0.00 175.26 175.92 2k02 s THR 52 N -0.75 4.54 -0.82 -1.70 -4.23 -1.26 -2.02 115.64 109.39 2k02 s THR 52 Ca -0.02 -0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.10 2k02 s THR 52 Cb -0.06 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.79 2k02 s THR 52 CO 0.00 0.50 1.42 -0.55 -0.54 0.00 0.00 174.62 175.45 2k02 s SER 53 N 0.13 6.13 0.00 3.99 0.15 -1.23 -4.68 113.70 118.19 2k02 s SER 53 Ca 0.03 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2k02 s SER 53 Cb -0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2k02 s SER 53 CO 0.01 -1.84 0.00 -0.62 1.20 0.00 0.00 173.24 171.99 2k02 n GLU 54 N 9.19 0.00 0.00 5.44 -0.58 -1.26 -4.92 120.64 128.50 2k02 n GLU 54 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2k02 n GLU 54 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 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 2.94 3.06 0.22 0.62 0.00 -1.26 -4.75 105.19 106.02 2k02 n GLY 55 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 2k02 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k02 h LEU 57 N -0.83 -0.53 -2.80 0.00 7.12 -1.97 -2.65 115.31 113.64 2k02 h LEU 57 Ca 0.00 0.05 -0.06 0.00 0.13 0.00 0.00 57.88 58.00 2k02 h LEU 57 Cb 0.83 0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 41.11 2k02 h LEU 57 CO 0.00 -0.23 0.08 -0.24 -0.13 0.00 0.00 178.44 177.92 2k02 n SER 58 N -3.47 4.02 -0.34 1.25 2.88 -1.26 -4.44 113.62 112.26 2k02 n SER 58 Ca -0.04 -2.70 0.06 0.00 -1.33 0.00 0.00 58.87 54.87 2k02 n SER 58 Cb 0.16 -0.64 0.25 0.00 -0.75 0.00 0.00 64.21 63.22 2k02 n SER 58 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2k02 h GLY 59 N 3.94 1.49 0.00 0.46 0.00 -1.50 -3.37 103.07 104.09 2k02 h GLY 59 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2k02 h GLY 59 CO 0.40 0.22 -0.37 1.44 0.00 0.00 0.00 176.54 178.22 2k02 n SER 60 N -4.56 1.02 -3.11 0.19 7.64 -1.26 -4.96 113.62 108.57 2k02 n SER 60 Ca 0.17 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 60.12 2k02 n SER 60 Cb 0.30 -0.47 0.04 0.00 -1.01 0.00 0.00 64.21 63.07 2k02 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k02 s LYS 62 N -3.34 0.20 -0.30 0.00 2.20 -1.26 -4.29 119.74 112.95 2k02 s LYS 62 Ca 0.26 -0.21 -0.16 0.00 -0.36 0.00 0.00 55.97 55.50 2k02 s LYS 62 Cb -0.02 -1.17 0.19 0.00 -1.51 0.00 0.00 37.83 35.32 2k02 s LYS 62 CO 0.17 -0.89 1.18 -1.54 -0.36 0.00 0.00 175.35 173.92 2k02 s SER 63 N 2.21 -0.19 -0.00 1.43 1.04 -1.26 -5.14 113.70 111.79 2k02 s SER 63 Ca 0.07 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.83 2k02 s SER 63 Cb -0.15 1.05 -0.00 0.00 0.10 0.00 0.00 66.02 67.01 2k02 s SER 63 CO -0.26 -0.05 -0.06 0.00 0.98 0.00 0.00 173.24 173.85 2k02 h PRO 65 N 5.98 0.75 0.00 0.00 0.13 -2.06 -3.49 132.00 133.31 2k02 h PRO 65 Ca -0.29 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2k02 h PRO 65 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k02 h PRO 65 CO 0.50 0.98 0.00 -0.85 -0.23 0.00 0.00 178.00 178.40 2k02 n GLU 66 N -4.27 0.00 0.00 0.86 0.00 -1.26 -5.16 120.64 110.81 2k02 n GLU 66 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2k02 n GLU 66 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.88 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k02 n GLY 67 N 0.00 2.86 3.58 -1.84 0.00 -1.26 -5.02 105.19 103.50 2k02 n GLY 67 Ca 0.00 -0.40 -0.50 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 1.55 -3.02 1.61 4.81 -1.26 -3.50 118.16 118.35 2k02 n LYS 68 Ca 0.00 0.50 -0.02 0.00 -0.87 0.00 0.00 58.31 57.92 2k02 n LYS 68 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.49 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 8.43 -2.59 -2.82 3.14 0.00 -1.26 -4.96 120.51 120.46 2k02 n ALA 69 Ca 0.32 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.63 2k02 n ALA 69 Cb 0.26 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.30 3.79 -0.52 0.00 0.00 -1.23 -4.99 121.76 117.52 2k02 s ALA 70 Ca 0.02 -0.66 -0.32 0.00 0.00 0.00 0.00 51.96 51.00 2k02 s ALA 70 Cb -0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 23.12 20.94 2k02 s ALA 70 CO 0.35 0.42 2.36 0.00 0.00 0.00 0.00 175.76 178.89 2k02 s ARG 72 N 7.40 -0.04 0.03 0.00 1.70 -1.26 -3.54 118.95 123.24 2k02 s ARG 72 Ca 1.12 0.24 0.03 0.00 -0.47 0.00 0.00 55.73 56.65 2k02 s ARG 72 Cb -0.74 -0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 33.33 2k02 s ARG 72 CO 0.42 -0.20 -0.08 1.14 -1.08 0.00 0.00 175.30 175.50 2k02 s GLN 73 N 1.31 0.57 0.55 3.89 1.03 -0.86 -3.18 119.66 122.97 2k02 s GLN 73 Ca -0.06 -0.58 0.08 0.00 0.04 0.00 0.00 55.36 54.84 2k02 s GLN 73 Cb -0.13 -0.45 0.06 0.00 0.03 0.00 0.00 33.01 32.53 2k02 s GLN 73 CO -0.03 0.10 0.64 -1.21 -2.54 0.00 0.00 175.29 172.25 2k02 s GLU 74 N -1.04 2.31 -0.01 9.60 0.41 -1.26 -1.38 118.70 127.32 2k02 s GLU 74 Ca -0.04 -1.76 0.05 0.00 -0.41 0.00 0.00 54.97 52.82 2k02 s GLU 74 Cb -0.07 -2.45 -0.01 0.00 -1.78 0.00 0.00 34.13 29.81 2k02 s GLU 74 CO 0.00 -0.74 -0.18 -0.46 -0.49 0.00 0.00 175.26 173.40 2k02 s TRP 75 N -2.69 1.59 -0.29 1.61 -0.11 0.34 -3.89 118.94 115.50 2k02 s TRP 75 Ca 0.52 -0.30 -0.08 0.00 1.22 0.00 0.00 56.10 57.46 2k02 s TRP 75 Cb -0.05 -1.02 -0.00 0.00 -1.50 0.00 0.00 33.47 30.90 2k02 s TRP 75 CO 0.32 -0.03 0.09 -0.46 -4.62 0.00 0.00 176.95 172.26 2k02 s TRP 76 N -0.42 3.14 0.08 5.86 -0.00 0.23 -1.63 118.94 126.19 2k02 s TRP 76 Ca 0.07 -0.79 -0.06 0.00 -0.00 0.00 0.00 56.10 55.31 2k02 s TRP 76 Cb -0.07 -2.27 -0.01 0.00 -0.00 0.00 0.00 33.47 31.11 2k02 s TRP 76 CO -0.01 -0.51 0.13 0.00 -0.00 0.00 0.00 176.95 176.56 2k02 s ALA 77 N 1.55 0.03 0.18 5.86 0.00 -0.35 -1.12 121.76 127.90 2k02 s ALA 77 Ca 0.04 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2k02 s ALA 77 Cb -0.17 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2k02 s ALA 77 CO 0.03 -0.48 0.14 1.28 0.00 0.00 0.00 175.76 176.74 2k02 n LEU 78 N -0.02 0.00 0.00 0.00 4.32 -1.26 -0.96 117.00 119.08 2k02 n LEU 78 Ca -0.14 -0.41 0.04 0.00 -0.02 0.00 0.00 56.01 55.48 2k02 n LEU 78 Cb 0.62 -0.08 0.23 0.00 -1.62 0.00 0.00 43.42 42.57 2k02 n LEU 78 CO 0.24 -0.55 0.46 0.54 -1.22 0.00 0.00 177.39 176.86