#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 -2.81 0.55 3.17 0.00 -1.26 -5.17 121.76 116.25 2k02 s ALA 2 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.37 2k02 s ALA 2 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.68 2k02 s ALA 2 CO 0.00 -1.68 0.77 -1.12 0.00 0.00 0.00 175.76 173.74 2k02 s SER 3 N 2.88 5.27 0.48 0.00 0.01 -1.26 -4.97 113.70 116.11 2k02 s SER 3 Ca 0.15 -0.04 0.32 0.00 1.31 0.00 0.00 55.95 57.69 2k02 s SER 3 Cb -0.10 -0.84 1.71 0.00 0.21 0.00 0.00 66.02 67.00 2k02 s SER 3 CO -0.22 -1.15 1.98 0.17 0.41 0.00 0.00 173.24 174.44 2k02 h LEU 4 N 0.08 0.00 -1.93 2.44 8.10 -1.99 -1.88 115.31 120.13 2k02 h LEU 4 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.56 2k02 h LEU 4 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.51 2k02 h LEU 4 CO 0.52 0.00 -0.04 0.24 -4.11 0.00 0.00 178.44 175.05 2k02 h MET 5 N 0.00 0.00 0.64 0.17 2.86 -1.97 -1.65 114.93 114.98 2k02 h MET 5 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k02 h MET 5 Cb 0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.72 2k02 h MET 5 CO 0.00 0.04 -0.31 1.49 1.06 0.00 0.00 176.91 179.19 2k02 h GLU 6 N 0.00 -0.82 -0.45 1.72 4.81 -1.73 -0.78 114.58 117.34 2k02 h GLU 6 Ca -0.00 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2k02 h GLU 6 Cb 0.06 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 2k02 h GLU 6 CO 0.00 -0.55 0.30 0.28 -0.73 0.00 0.00 179.01 178.32 2k02 h VAL 7 N -0.88 0.96 0.81 0.32 2.07 -1.72 -2.16 116.25 115.63 2k02 h VAL 7 Ca -0.09 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2k02 h VAL 7 Cb 0.65 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2k02 h VAL 7 CO 0.14 0.06 -0.43 -0.09 0.02 0.00 0.00 177.57 177.27 2k02 h ARG 8 N 0.35 -1.10 -0.31 1.57 2.43 -1.10 0.26 114.38 116.48 2k02 h ARG 8 Ca 0.19 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 2k02 h ARG 8 Cb 0.32 0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 2k02 h ARG 8 CO -0.05 -0.73 -0.15 0.22 -1.51 0.00 0.00 179.97 177.75 2k02 h ASP 9 N -1.14 -0.50 -0.17 -3.80 3.58 -0.82 0.17 116.42 113.74 2k02 h ASP 9 Ca -0.11 0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2k02 h ASP 9 Cb 0.89 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2k02 h ASP 9 CO 0.15 -0.18 0.12 0.24 -2.88 0.00 0.00 179.24 176.68 2k02 h MET 10 N -0.10 0.07 0.59 0.28 2.86 -1.33 -1.56 114.93 115.74 2k02 h MET 10 Ca 0.16 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2k02 h MET 10 Cb 0.34 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.99 2k02 h MET 10 CO -0.38 0.05 -0.29 1.25 1.06 0.00 0.00 176.91 178.61 2k02 h LEU 11 N 0.08 -0.68 -2.34 1.22 5.85 0.24 -0.55 115.31 119.14 2k02 h LEU 11 Ca 0.07 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2k02 h LEU 11 Cb 0.21 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2k02 h LEU 11 CO -0.01 -0.31 0.14 0.00 -0.34 0.00 0.00 178.44 177.93 2k02 h ALA 12 N -0.93 1.65 -0.21 1.25 0.00 -0.88 1.24 119.26 121.38 2k02 h ALA 12 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k02 h ALA 12 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k02 h ALA 12 CO 0.13 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.46 2k02 n LEU 13 N -3.71 2.59 0.01 0.00 4.77 -0.62 -4.78 117.00 115.27 2k02 n LEU 13 Ca -0.00 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2k02 n LEU 13 Cb 0.25 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k02 n LEU 13 CO 0.26 0.52 0.00 0.00 -1.33 0.00 0.00 177.39 176.84 2k02 n GLN 14 N 0.95 0.00 0.00 3.23 6.02 0.94 -5.02 117.38 123.50 2k02 n GLN 14 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2k02 n GLN 14 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 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 -0.24 1.94 2.76 1.08 0.00 0.39 -5.01 105.19 106.11 2k02 n GLY 15 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.49 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 2.29 -3.39 -3.84 1.61 3.00 -1.26 -5.03 116.66 110.05 2k02 n ARG 16 Ca 0.00 2.70 -0.08 0.00 -0.01 0.00 0.00 57.85 60.46 2k02 n ARG 16 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 32.46 28.11 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 -1.04 2.04 0.10 5.56 -1.94 -0.65 -5.02 119.30 118.36 2k02 s MET 17 Ca -0.11 -1.26 0.09 0.00 -1.71 0.00 0.00 55.69 52.69 2k02 s MET 17 Cb 0.01 0.61 -0.03 0.00 2.01 0.00 0.00 34.83 37.43 2k02 s MET 17 CO 0.63 -0.95 -0.23 -1.83 -0.01 0.00 0.00 175.02 172.63 2k02 s GLU 18 N -2.99 1.28 0.34 2.03 1.03 -1.26 -1.03 118.70 118.10 2k02 s GLU 18 Ca 0.14 -1.19 0.24 0.00 0.03 0.00 0.00 54.97 54.18 2k02 s GLU 18 Cb -0.05 -1.59 0.37 0.00 -0.80 0.00 0.00 34.13 32.06 2k02 s GLU 18 CO 0.10 0.38 1.53 0.00 -1.33 0.00 0.00 175.26 175.94 2k02 h ALA 19 N 4.15 0.89 -0.79 -0.84 0.00 -1.96 -3.33 119.26 117.39 2k02 h ALA 19 Ca -0.47 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.57 2k02 h ALA 19 Cb 1.17 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2k02 h ALA 19 CO 0.40 0.00 0.39 1.57 0.00 0.00 0.00 179.25 181.61 2k02 h LYS 20 N 0.00 0.57 0.72 0.00 2.10 -1.95 0.22 116.57 118.24 2k02 h LYS 20 Ca 0.00 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 2k02 h LYS 20 Cb 0.94 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 32.14 2k02 h LYS 20 CO 0.00 0.38 -0.35 1.96 -2.00 0.00 0.00 179.45 179.44 2k02 h GLN 21 N 0.59 -0.93 -0.16 0.07 4.20 -1.98 -0.47 115.11 116.42 2k02 h GLN 21 Ca 0.42 0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.24 2k02 h GLN 21 Cb 0.56 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2k02 h GLN 21 CO -0.34 -0.61 0.12 -0.07 -0.67 0.00 0.00 178.83 177.26 2k02 h LEU 22 N -1.03 0.00 -0.43 1.46 3.38 -1.64 0.46 115.31 117.52 2k02 h LEU 22 Ca -0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2k02 h LEU 22 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2k02 h LEU 22 CO 0.16 0.00 -0.49 -1.28 0.09 0.00 0.00 178.44 176.92 2k02 h SER 23 N 0.00 0.00 -0.02 -0.43 0.87 -0.23 -2.17 113.55 111.57 2k02 h SER 23 Ca 0.08 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.45 2k02 h SER 23 Cb 0.32 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2k02 h SER 23 CO -0.00 0.49 -0.73 0.00 -0.53 0.00 0.00 176.83 176.06 2k02 h ALA 24 N 1.51 0.11 0.00 6.23 0.00 0.77 0.76 119.26 128.65 2k02 h ALA 24 Ca -0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 2k02 h ALA 24 Cb 1.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k02 h ALA 24 CO 0.06 0.47 -0.56 -0.09 0.00 0.00 0.00 179.25 179.13 2k02 h ARG 25 N 0.09 0.00 0.00 0.00 9.65 -1.44 -3.12 114.38 119.57 2k02 h ARG 25 Ca -0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2k02 h ARG 25 Cb 1.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.99 2k02 h ARG 25 CO 0.14 0.56 -1.37 1.28 2.80 0.00 0.00 179.97 183.38 2k02 n LEU 26 N -3.70 0.48 -2.44 3.80 4.77 -0.82 -5.06 117.00 114.04 2k02 n LEU 26 Ca -0.01 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.89 2k02 n LEU 26 Cb 0.60 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2k02 n LEU 26 CO 0.41 0.04 -0.45 0.00 -1.33 0.00 0.00 177.39 176.06 2k02 n GLN 27 N -2.06 -3.14 -3.73 3.23 6.02 0.26 -5.04 117.38 112.93 2k02 n GLN 27 Ca -0.00 2.54 -0.13 0.00 -0.01 0.00 0.00 57.00 59.40 2k02 n GLN 27 Cb 0.48 -4.46 -0.10 0.00 1.02 0.00 0.00 30.24 27.18 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 -1.05 -0.00 0.10 5.09 2.01 -0.78 -5.01 115.64 116.00 2k02 s THR 28 Ca -0.08 0.01 -0.35 0.00 0.31 0.00 0.00 61.69 61.58 2k02 s THR 28 Cb 0.01 -0.56 -0.17 0.00 0.01 0.00 0.00 72.50 71.78 2k02 s THR 28 CO 0.64 0.00 1.08 -2.65 -0.69 0.00 0.00 174.62 173.00 2k02 n PRO 29 N 3.02 0.62 -0.09 4.92 -0.02 -1.26 -4.87 135.00 137.33 2k02 n PRO 29 Ca -0.14 0.22 -0.11 0.00 -2.02 0.00 0.00 63.50 61.45 2k02 n PRO 29 Cb 0.57 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 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 3.14 0.44 -1.01 -0.52 7.50 -1.94 -3.05 115.11 119.67 2k02 h GLN 30 Ca -0.44 -0.13 0.31 0.00 0.50 0.00 0.00 58.65 58.88 2k02 h GLN 30 Cb 1.38 -0.04 -0.14 0.00 0.05 0.00 0.00 27.48 28.73 2k02 h GLN 30 CO 0.68 0.60 0.58 -1.35 -1.50 0.00 0.00 178.83 177.84 2k02 h PRO 31 N 0.23 0.37 0.09 1.46 0.11 -1.70 -0.08 132.00 132.47 2k02 h PRO 31 Ca 0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2k02 h PRO 31 Cb 0.39 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2k02 h PRO 31 CO 0.01 0.24 -0.04 1.25 -0.21 0.00 0.00 178.00 179.25 2k02 h LEU 32 N 0.38 -0.10 -0.72 2.35 7.12 -1.80 -2.92 115.31 119.63 2k02 h LEU 32 Ca 0.72 -0.36 0.16 0.00 0.13 0.00 0.00 57.88 58.52 2k02 h LEU 32 Cb 1.59 0.03 -0.12 0.00 -0.53 0.00 0.00 40.66 41.63 2k02 h LEU 32 CO -0.57 0.33 0.06 0.40 -0.13 0.00 0.00 178.44 178.52 2k02 h ILE 33 N -0.54 0.42 -0.93 4.05 1.08 -0.95 0.47 117.51 121.12 2k02 h ILE 33 Ca -0.01 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 2k02 h ILE 33 Cb 0.45 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.41 2k02 h ILE 33 CO 0.02 0.03 0.61 -0.78 -0.69 0.00 0.00 178.15 177.33 2k02 h ASP 34 N 0.15 0.99 0.89 1.72 1.82 -1.36 -0.45 116.42 120.18 2k02 h ASP 34 Ca 0.40 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.94 2k02 h ASP 34 Cb 0.68 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 2k02 h ASP 34 CO -0.59 0.66 -0.41 0.00 -1.61 0.00 0.00 179.24 177.29 2k02 h ALA 35 N 1.47 0.95 0.79 -0.78 0.00 -0.06 -0.17 119.26 121.47 2k02 h ALA 35 Ca 0.38 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k02 h ALA 35 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2k02 h ALA 35 CO -0.12 0.52 -0.38 1.98 0.00 0.00 0.00 179.25 181.24 2k02 h MET 36 N 0.00 -1.03 -0.22 0.00 1.85 0.12 0.40 114.93 116.05 2k02 h MET 36 Ca -0.00 0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.11 2k02 h MET 36 Cb 0.97 0.23 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 2k02 h MET 36 CO 0.05 -0.69 -0.05 -0.07 -0.40 0.00 0.00 176.91 175.76 2k02 h LEU 37 N -1.27 0.43 -0.09 3.39 4.07 -1.51 -2.18 115.31 118.16 2k02 h LEU 37 Ca -0.11 -0.36 0.04 0.00 0.08 0.00 0.00 57.88 57.53 2k02 h LEU 37 Cb 0.82 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.39 2k02 h LEU 37 CO 0.18 0.69 -0.26 -0.08 -1.08 0.00 0.00 178.44 177.89 2k02 h GLU 38 N 0.16 -0.34 -0.98 1.13 4.81 -1.07 0.17 114.58 118.46 2k02 h GLU 38 Ca 0.06 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 2k02 h GLU 38 Cb 0.50 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.87 2k02 h GLU 38 CO 0.02 -0.23 0.62 -0.09 -0.73 0.00 0.00 179.01 178.60 2k02 h ARG 39 N -0.35 0.86 0.61 1.92 2.43 -0.16 1.26 114.38 120.95 2k02 h ARG 39 Ca 0.09 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2k02 h ARG 39 Cb 0.49 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2k02 h ARG 39 CO -0.30 0.57 -0.29 1.98 -1.51 0.00 0.00 179.97 180.42 2k02 h MET 40 N 0.88 -0.79 0.00 0.20 4.05 -0.45 -2.99 114.93 115.83 2k02 h MET 40 Ca 0.50 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.98 2k02 h MET 40 Cb 0.62 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2k02 h MET 40 CO -0.27 -0.53 0.00 1.49 0.23 0.00 0.00 176.91 177.83 2k02 h GLU 41 N -1.00 0.00 -0.44 0.39 4.22 -0.42 -2.83 114.58 114.51 2k02 h GLU 41 Ca -0.08 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.48 2k02 h GLU 41 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2k02 h GLU 41 CO 0.14 0.00 0.58 0.00 -2.18 0.00 0.00 179.01 177.55 2k02 h ALA 42 N 2.05 2.14 0.00 2.92 0.00 0.18 0.99 119.26 127.53 2k02 h ALA 42 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2k02 h ALA 42 Cb 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k02 h ALA 42 CO 0.00 -0.81 -1.17 0.52 0.00 0.00 0.00 179.25 177.79 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.64 -3.49 114.93 112.66 2k02 h MET 43 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 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 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.70 2k02 n GLY 44 N 1.34 0.67 0.00 8.32 0.00 0.34 -5.11 105.19 110.76 2k02 n GLY 44 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 4.01 -1.25 -5.05 118.16 117.49 2k02 n LYS 45 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2k02 n LYS 45 Cb 0.00 -0.55 0.00 0.00 -0.51 0.00 0.00 35.03 33.97 2k02 n LYS 45 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2k02 n VAL 46 N -0.34 0.00 -3.80 -0.18 0.31 -1.26 -5.10 118.33 107.96 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 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.00 0.02 0.06 2.52 -7.23 -0.72 -4.93 120.40 110.11 2k02 s VAL 47 Ca 0.00 -0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 2k02 s VAL 47 Cb 0.00 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 2k02 s VAL 47 CO 0.00 -0.07 0.02 0.00 -0.31 0.00 0.00 175.10 174.74 2k02 s ARG 48 N -0.19 0.65 -0.17 4.82 1.04 -1.26 -0.57 118.95 123.28 2k02 s ARG 48 Ca -0.03 -1.14 -0.02 0.00 -1.04 0.00 0.00 55.73 53.50 2k02 s ARG 48 Cb -0.03 0.23 0.05 0.00 -2.04 0.00 0.00 34.95 33.17 2k02 s ARG 48 CO 0.01 -0.14 0.00 0.42 -0.04 0.00 0.00 175.30 175.55 2k02 s ILE 49 N -3.82 0.73 -0.28 4.99 -1.09 0.37 -4.91 121.20 117.19 2k02 s ILE 49 Ca 0.06 -0.51 -0.15 0.00 -2.23 0.00 0.00 60.65 57.81 2k02 s ILE 49 Cb 0.07 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.84 2k02 s ILE 49 CO -0.10 -0.03 0.38 -0.94 -1.23 0.00 0.00 174.94 173.02 2k02 s SER 50 N 1.78 6.26 0.03 3.58 1.04 -1.26 0.17 113.70 125.30 2k02 s SER 50 Ca 0.00 0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.70 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 -0.07 -0.21 -0.10 -0.70 0.98 0.00 0.00 173.24 173.13 2k02 s GLU 51 N 2.09 0.66 0.26 4.02 2.12 -0.78 -4.95 118.70 122.13 2k02 s GLU 51 Ca 0.15 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 54.89 2k02 s GLU 51 Cb -0.16 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.62 2k02 s GLU 51 CO 0.10 0.13 0.20 -0.08 -0.54 0.00 0.00 175.26 175.08 2k02 s THR 52 N -0.94 4.32 0.07 -1.70 -1.32 -1.26 -2.02 115.64 112.79 2k02 s THR 52 Ca -0.03 -1.42 0.08 0.00 -1.21 0.00 0.00 61.69 59.11 2k02 s THR 52 Cb -0.08 -3.36 -0.03 0.00 -1.51 0.00 0.00 72.50 67.51 2k02 s THR 52 CO 0.01 -0.33 -0.18 -0.94 -2.21 0.00 0.00 174.62 170.96 2k02 s SER 53 N -3.85 3.80 -0.09 8.08 1.04 -1.26 -4.99 113.70 116.42 2k02 s SER 53 Ca 0.34 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 2k02 s SER 53 Cb -0.08 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.46 2k02 s SER 53 CO 0.25 0.23 -0.07 -0.33 0.98 0.00 0.00 173.24 174.30 2k02 h GLU 54 N 4.26 0.00 0.00 4.02 4.39 -1.97 -3.49 114.58 121.80 2k02 h GLU 54 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2k02 h GLU 54 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2k02 h GLU 54 CO 0.47 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.73 2k02 n GLY 55 N 1.74 1.74 2.01 -3.84 0.00 -1.26 -4.98 105.19 100.60 2k02 n GLY 55 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.39 -1.23 0.08 0.00 4.32 -1.26 -4.81 117.00 110.70 2k02 n LEU 57 Ca 0.00 0.31 -0.16 0.00 -0.02 0.00 0.00 56.01 56.14 2k02 n LEU 57 Cb 0.00 -2.33 -0.14 0.00 -1.62 0.00 0.00 43.42 39.33 2k02 n LEU 57 CO 0.00 -0.65 -0.24 0.77 -1.22 0.00 0.00 177.39 176.05 2k02 h SER 58 N 0.00 0.40 0.00 -1.43 4.64 -2.03 -3.46 113.55 111.67 2k02 h SER 58 Ca -0.34 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 2k02 h SER 58 Cb 1.09 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2k02 h SER 58 CO 0.46 1.41 0.00 0.61 -0.87 0.00 0.00 176.83 178.45 2k02 n GLY 59 N 1.62 -0.64 3.84 -0.77 0.00 -1.26 -5.12 105.19 102.86 2k02 n GLY 59 Ca -0.14 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.99 6.86 0.00 1.61 0.01 -1.26 -5.01 113.70 112.91 2k02 s SER 60 Ca 0.00 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.32 2k02 s SER 60 Cb 0.00 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2k02 s SER 60 CO 0.00 0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.84 2k02 h LYS 62 N 0.00 0.71 0.00 0.00 1.57 -2.01 -3.45 116.57 113.38 2k02 h LYS 62 Ca 0.00 -0.44 0.07 0.00 -1.87 0.00 0.00 60.65 58.41 2k02 h LYS 62 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2k02 h LYS 62 CO 0.00 1.06 -0.09 -1.13 -0.57 0.00 0.00 179.45 178.72 2k02 n SER 63 N -4.19 -3.47 -4.77 0.86 3.41 -1.26 -4.67 113.62 99.54 2k02 n SER 63 Ca -0.05 0.27 -0.38 0.00 -0.26 0.00 0.00 58.87 58.44 2k02 n SER 63 Cb 0.55 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 2k02 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k02 h PRO 65 N 3.49 1.28 0.00 0.00 0.13 -2.02 -3.45 132.00 131.44 2k02 h PRO 65 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2k02 h PRO 65 Cb 1.20 -0.29 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2k02 h PRO 65 CO 0.66 0.85 0.00 -1.91 -0.23 0.00 0.00 178.00 177.37 2k02 n GLU 66 N -4.41 0.00 0.00 0.86 2.13 -1.26 -4.49 120.64 113.47 2k02 n GLU 66 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2k02 n GLU 66 Cb 0.03 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.74 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k02 n GLY 67 N 0.00 3.40 3.77 8.31 0.00 -1.26 -5.09 105.19 114.32 2k02 n GLY 67 Ca 0.00 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2k02 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k02 s LYS 68 N 0.00 4.48 -0.30 1.61 2.47 -1.26 -5.04 119.74 121.69 2k02 s LYS 68 Ca 0.00 1.04 -0.14 0.00 -1.56 0.00 0.00 55.97 55.31 2k02 s LYS 68 Cb 0.00 -3.31 0.17 0.00 -1.46 0.00 0.00 37.83 33.24 2k02 s LYS 68 CO 0.00 0.45 1.03 0.00 0.16 0.00 0.00 175.35 176.99 2k02 s ALA 69 N -0.63 -3.06 -0.05 3.13 0.00 -1.26 -5.06 121.76 114.83 2k02 s ALA 69 Ca 0.36 1.75 -0.25 0.00 0.00 0.00 0.00 51.96 53.82 2k02 s ALA 69 Cb -0.21 -2.27 -0.23 0.00 0.00 0.00 0.00 23.12 20.41 2k02 s ALA 69 CO 0.23 -1.18 1.06 0.00 0.00 0.00 0.00 175.76 175.87 2k02 h ALA 70 N 7.68 0.04 -2.17 0.00 0.00 -2.00 -3.43 119.26 119.37 2k02 h ALA 70 Ca -0.15 -0.42 -0.56 0.00 0.00 0.00 0.00 54.91 53.78 2k02 h ALA 70 Cb 1.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k02 h ALA 70 CO 0.01 0.01 1.12 0.00 0.00 0.00 0.00 179.25 180.40 2k02 s ARG 72 N 4.38 0.45 -0.17 0.00 1.70 -1.26 -4.42 118.95 119.62 2k02 s ARG 72 Ca 0.74 0.55 -0.07 0.00 -0.47 0.00 0.00 55.73 56.48 2k02 s ARG 72 Cb -0.30 0.21 0.08 0.00 -0.57 0.00 0.00 34.95 34.36 2k02 s ARG 72 CO 0.30 -0.06 0.37 1.14 -1.08 0.00 0.00 175.30 175.97 2k02 s GLN 73 N 0.27 0.28 0.56 3.89 -2.07 -0.85 -3.04 119.66 118.70 2k02 s GLN 73 Ca -0.01 0.90 0.07 0.00 -1.82 0.00 0.00 55.36 54.50 2k02 s GLN 73 Cb -0.03 0.16 0.06 0.00 -1.09 0.00 0.00 33.01 32.11 2k02 s GLN 73 CO -0.00 -0.24 0.52 -1.83 -1.32 0.00 0.00 175.29 172.42 2k02 s GLU 74 N 2.32 2.25 0.06 9.60 -1.05 -1.26 -1.87 118.70 128.74 2k02 s GLU 74 Ca -0.02 -1.94 0.07 0.00 -0.15 0.00 0.00 54.97 52.92 2k02 s GLU 74 Cb -0.11 -2.24 -0.03 0.00 -0.44 0.00 0.00 34.13 31.31 2k02 s GLU 74 CO -0.11 -0.72 -0.19 -1.58 0.95 0.00 0.00 175.26 173.60 2k02 s TRP 75 N -2.76 1.67 -0.22 4.83 0.51 0.44 -3.83 118.94 119.58 2k02 s TRP 75 Ca 0.41 -0.38 -0.08 0.00 -2.12 0.00 0.00 56.10 53.93 2k02 s TRP 75 Cb -0.03 -0.97 -0.04 0.00 -0.81 0.00 0.00 33.47 31.61 2k02 s TRP 75 CO 0.26 0.10 0.10 -0.46 -0.51 0.00 0.00 176.95 176.44 2k02 s TRP 76 N -0.90 3.23 0.16 -1.98 -0.00 -0.19 -0.48 118.94 118.78 2k02 s TRP 76 Ca 0.06 0.01 -0.07 0.00 -0.00 0.00 0.00 56.10 56.10 2k02 s TRP 76 Cb -0.09 -2.19 -0.02 0.00 -0.00 0.00 0.00 33.47 31.18 2k02 s TRP 76 CO 0.02 -0.00 0.24 0.00 -0.00 0.00 0.00 176.95 177.21 2k02 s ALA 77 N 0.92 0.24 0.21 5.86 0.00 0.27 -1.64 121.76 127.62 2k02 s ALA 77 Ca 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2k02 s ALA 77 Cb -0.14 0.90 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2k02 s ALA 77 CO 0.03 -0.62 0.18 1.28 0.00 0.00 0.00 175.76 176.63 2k02 n LEU 78 N -0.20 0.00 0.00 0.00 4.32 -1.26 -1.76 117.00 118.10 2k02 n LEU 78 Ca -0.06 -1.06 0.02 0.00 -0.02 0.00 0.00 56.01 54.89 2k02 n LEU 78 Cb 0.63 -0.04 0.11 0.00 -1.62 0.00 0.00 43.42 42.50 2k02 n LEU 78 CO 0.26 -0.42 0.35 0.54 -1.22 0.00 0.00 177.39 176.90