#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 1.27 0.71 3.17 0.00 -1.26 -5.13 121.76 120.52 2k02 s ALA 2 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.53 2k02 s ALA 2 Cb 0.00 -1.52 0.14 0.00 0.00 0.00 0.00 23.12 21.73 2k02 s ALA 2 CO 0.00 -1.61 0.95 0.43 0.00 0.00 0.00 175.76 175.53 2k02 n SER 3 N 4.96 1.37 0.20 0.00 7.64 -1.26 -5.00 113.62 121.52 2k02 n SER 3 Ca -0.04 -2.13 0.13 0.00 1.01 0.00 0.00 58.87 57.84 2k02 n SER 3 Cb 0.43 -0.60 0.35 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.34 -3.43 8.10 -2.01 -3.24 115.31 113.40 2k02 h LEU 4 Ca -0.31 0.00 0.18 0.00 0.11 0.00 0.00 57.88 57.86 2k02 h LEU 4 Cb 1.18 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.32 2k02 h LEU 4 CO 0.34 0.00 0.59 0.24 -4.11 0.00 0.00 178.44 175.51 2k02 h MET 5 N 0.00 0.55 0.57 0.17 2.86 -1.98 0.25 114.93 117.36 2k02 h MET 5 Ca 0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2k02 h MET 5 Cb 0.80 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.34 2k02 h MET 5 CO 0.00 0.37 -0.28 0.93 1.06 0.00 0.00 176.91 178.99 2k02 h GLU 6 N 0.57 -0.74 -0.64 1.72 5.08 -1.97 -1.91 114.58 116.70 2k02 h GLU 6 Ca 0.48 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 59.03 2k02 h GLU 6 Cb 0.97 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2k02 h GLU 6 CO -0.23 -0.49 0.43 -0.24 -1.00 0.00 0.00 179.01 177.48 2k02 h VAL 7 N -0.86 0.81 -0.16 3.13 3.04 -1.65 -1.16 116.25 119.40 2k02 h VAL 7 Ca -0.08 -0.10 0.02 0.00 -1.01 0.00 0.00 66.70 65.53 2k02 h VAL 7 Cb 0.59 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 2k02 h VAL 7 CO 0.13 0.05 0.04 -0.09 -1.01 0.00 0.00 177.57 176.69 2k02 h ARG 8 N 0.30 0.10 -0.32 4.17 2.43 -0.33 -1.52 114.38 119.21 2k02 h ARG 8 Ca 0.31 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2k02 h ARG 8 Cb 0.79 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2k02 h ARG 8 CO -0.07 0.07 0.09 0.22 -1.51 0.00 0.00 179.97 178.76 2k02 h ASP 9 N 0.11 0.47 0.15 -3.80 3.58 -0.41 0.17 116.42 116.69 2k02 h ASP 9 Ca 0.07 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.31 2k02 h ASP 9 Cb 0.06 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2k02 h ASP 9 CO -0.09 0.56 -0.47 0.24 -2.88 0.00 0.00 179.24 176.59 2k02 h MET 10 N 0.35 -0.68 -0.22 0.28 2.86 -1.13 -0.25 114.93 116.14 2k02 h MET 10 Ca 0.10 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2k02 h MET 10 Cb 0.26 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2k02 h MET 10 CO -0.00 -0.46 0.11 -0.07 1.06 0.00 0.00 176.91 177.55 2k02 h LEU 11 N -0.71 0.28 -1.82 1.22 -0.00 -1.30 0.85 115.31 113.84 2k02 h LEU 11 Ca -0.01 -0.11 0.12 0.00 -0.00 0.00 0.00 57.88 57.87 2k02 h LEU 11 Cb 0.70 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 2k02 h LEU 11 CO -0.23 0.31 0.53 0.00 -0.00 0.00 0.00 178.44 179.05 2k02 h ALA 12 N 0.98 2.07 0.00 1.53 0.00 -0.36 0.18 119.26 123.66 2k02 h ALA 12 Ca 0.07 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2k02 h ALA 12 Cb 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2k02 h ALA 12 CO -0.01 -0.74 -1.85 1.28 0.00 0.00 0.00 179.25 177.93 2k02 n LEU 13 N -3.47 0.00 0.00 0.00 4.77 -0.13 -4.82 117.00 113.35 2k02 n LEU 13 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2k02 n LEU 13 Cb 0.69 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2k02 n LEU 13 CO 0.24 0.21 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 2k02 n GLN 14 N -2.33 0.00 0.00 3.23 1.13 0.29 -5.08 117.38 114.62 2k02 n GLN 14 Ca -0.15 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2k02 n GLN 14 Cb 0.74 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 30.64 2k02 n GLN 14 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k02 n GLY 15 N 2.17 -0.80 3.37 1.08 0.00 0.42 -5.02 105.19 106.40 2k02 n GLY 15 Ca 0.00 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 3.48 0.34 1.61 3.00 -1.26 -4.66 118.95 121.46 2k02 s ARG 16 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 55.73 54.97 2k02 s ARG 16 Cb 0.00 -3.05 0.04 0.00 0.00 0.00 0.00 34.95 31.94 2k02 s ARG 16 CO 0.00 -0.12 0.76 -1.64 0.00 0.00 0.00 175.30 174.30 2k02 s MET 17 N 1.32 2.06 0.04 3.54 -1.94 -0.88 -5.01 119.30 118.42 2k02 s MET 17 Ca 0.04 -1.27 0.03 0.00 -1.71 0.00 0.00 55.69 52.78 2k02 s MET 17 Cb -0.14 0.62 -0.04 0.00 2.01 0.00 0.00 34.83 37.28 2k02 s MET 17 CO -0.01 -0.96 0.01 -1.83 -0.01 0.00 0.00 175.02 172.23 2k02 s GLU 18 N -2.95 2.73 0.29 2.03 1.03 -1.26 -1.58 118.70 118.99 2k02 s GLU 18 Ca 0.14 -0.69 0.20 0.00 0.03 0.00 0.00 54.97 54.64 2k02 s GLU 18 Cb -0.05 -2.64 0.12 0.00 -0.80 0.00 0.00 34.13 30.76 2k02 s GLU 18 CO 0.10 0.59 1.33 0.00 -1.33 0.00 0.00 175.26 175.95 2k02 h ALA 19 N 3.90 0.75 -1.00 -0.84 0.00 -1.95 -3.33 119.26 116.79 2k02 h ALA 19 Ca -0.48 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 54.39 2k02 h ALA 19 Cb 1.17 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 2k02 h ALA 19 CO 0.59 0.31 0.59 1.57 0.00 0.00 0.00 179.25 182.32 2k02 h LYS 20 N 0.00 0.65 0.08 0.00 2.10 -1.94 0.24 116.57 117.71 2k02 h LYS 20 Ca -0.02 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2k02 h LYS 20 Cb 1.19 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2k02 h LYS 20 CO 0.03 0.43 -0.04 1.96 -2.00 0.00 0.00 179.45 179.83 2k02 h GLN 21 N 0.67 -0.11 -0.60 0.07 4.20 -1.98 -1.94 115.11 115.43 2k02 h GLN 21 Ca 0.61 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.38 2k02 h GLN 21 Cb 1.04 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.79 2k02 h GLN 21 CO -0.43 0.23 0.32 -0.07 -0.67 0.00 0.00 178.83 178.22 2k02 h LEU 22 N -0.45 0.47 -1.18 1.46 3.38 -1.37 0.51 115.31 118.11 2k02 h LEU 22 Ca -0.01 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2k02 h LEU 22 Cb 0.39 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2k02 h LEU 22 CO 0.02 0.31 0.55 0.77 0.09 0.00 0.00 178.44 180.18 2k02 h SER 23 N 0.60 0.96 -0.00 -0.43 4.64 -0.55 -2.45 113.55 116.33 2k02 h SER 23 Ca 0.27 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.33 2k02 h SER 23 Cb 0.17 -0.24 0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2k02 h SER 23 CO -0.18 0.70 -0.94 0.00 -0.87 0.00 0.00 176.83 175.54 2k02 h ALA 24 N 1.48 0.11 -0.59 5.18 0.00 -0.46 0.65 119.26 125.64 2k02 h ALA 24 Ca 0.31 -0.67 0.15 0.00 0.00 0.00 0.00 54.91 54.70 2k02 h ALA 24 Cb -0.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2k02 h ALA 24 CO -0.07 0.60 0.42 -0.09 0.00 0.00 0.00 179.25 180.11 2k02 h ARG 25 N 0.27 0.09 0.00 0.00 9.65 0.33 -1.33 114.38 123.40 2k02 h ARG 25 Ca -0.12 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 2k02 h ARG 25 Cb 1.60 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.16 2k02 h ARG 25 CO 0.18 0.06 -0.01 1.28 2.80 0.00 0.00 179.97 184.29 2k02 n LEU 26 N -4.40 1.96 -2.35 3.80 4.77 -0.95 -5.08 117.00 114.75 2k02 n LEU 26 Ca 0.11 -2.17 -0.00 0.00 -0.03 0.00 0.00 56.01 53.92 2k02 n LEU 26 Cb 0.60 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2k02 n LEU 26 CO 0.36 0.53 -0.44 0.00 -1.33 0.00 0.00 177.39 176.51 2k02 n GLN 27 N -0.71 -4.48 -3.66 3.23 1.13 0.19 -5.03 117.38 108.05 2k02 n GLN 27 Ca 0.04 3.26 -0.13 0.00 -1.94 0.00 0.00 57.00 58.23 2k02 n GLN 27 Cb 0.37 -4.19 -0.08 0.00 0.11 0.00 0.00 30.24 26.45 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 -0.52 -0.00 -0.44 5.09 2.01 0.11 -4.90 115.64 116.98 2k02 s THR 28 Ca -0.02 0.01 -0.36 0.00 0.31 0.00 0.00 61.69 61.62 2k02 s THR 28 Cb 0.00 -0.87 -0.14 0.00 0.01 0.00 0.00 72.50 71.50 2k02 s THR 28 CO 0.06 0.00 2.24 -2.65 -0.69 0.00 0.00 174.62 173.58 2k02 n PRO 29 N 3.05 0.76 -0.22 4.92 -0.02 -1.26 -4.71 135.00 137.52 2k02 n PRO 29 Ca -0.15 0.19 0.01 0.00 -2.02 0.00 0.00 63.50 61.53 2k02 n PRO 29 Cb 0.56 -2.25 0.12 0.00 -0.02 0.00 0.00 33.50 31.92 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 12.14 0.45 -0.99 -0.52 4.20 -1.91 -1.97 115.11 126.52 2k02 h GLN 30 Ca -0.21 -0.03 0.31 0.00 0.06 0.00 0.00 58.65 58.77 2k02 h GLN 30 Cb 1.34 -0.10 -0.15 0.00 0.30 0.00 0.00 27.48 28.87 2k02 h GLN 30 CO 1.07 0.30 0.52 -1.35 -0.67 0.00 0.00 178.83 178.70 2k02 h PRO 31 N 0.46 0.31 -0.19 1.46 0.11 -1.79 0.37 132.00 132.73 2k02 h PRO 31 Ca 0.33 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.21 2k02 h PRO 31 Cb 0.41 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.45 2k02 h PRO 31 CO -0.31 0.21 -0.72 1.25 -0.21 0.00 0.00 178.00 178.21 2k02 h LEU 32 N 0.32 0.96 -0.32 2.35 7.12 -1.61 -3.25 115.31 120.88 2k02 h LEU 32 Ca 0.71 -0.60 0.06 0.00 0.13 0.00 0.00 57.88 58.18 2k02 h LEU 32 Cb 1.57 -0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 41.34 2k02 h LEU 32 CO -0.61 1.40 -0.41 0.40 -0.13 0.00 0.00 178.44 179.10 2k02 h ILE 33 N 0.58 0.14 -0.53 4.05 1.08 -0.04 1.28 117.51 124.06 2k02 h ILE 33 Ca -0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.53 2k02 h ILE 33 Cb 1.35 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 35.16 2k02 h ILE 33 CO 0.15 0.00 0.09 -0.78 -0.69 0.00 0.00 178.15 176.92 2k02 h ASP 34 N -0.36 -0.04 0.68 1.72 1.82 -1.27 0.11 116.42 119.08 2k02 h ASP 34 Ca 0.12 0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.80 2k02 h ASP 34 Cb 0.59 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 2k02 h ASP 34 CO -0.52 0.00 -0.33 0.00 -1.61 0.00 0.00 179.24 176.78 2k02 h ALA 35 N 1.43 1.11 0.39 -0.78 0.00 -1.20 -0.96 119.26 119.25 2k02 h ALA 35 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k02 h ALA 35 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k02 h ALA 35 CO -0.37 0.42 -0.19 1.98 0.00 0.00 0.00 179.25 181.09 2k02 h MET 36 N 0.00 -0.50 0.14 0.00 1.85 0.41 0.24 114.93 117.06 2k02 h MET 36 Ca -0.00 0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 2k02 h MET 36 Cb 0.76 0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.91 2k02 h MET 36 CO 0.04 -0.23 -0.07 -0.07 -0.40 0.00 0.00 176.91 176.19 2k02 h LEU 37 N -0.72 -0.16 -0.82 3.39 3.38 -1.21 -2.28 115.31 116.89 2k02 h LEU 37 Ca -0.05 -0.23 0.18 0.00 0.09 0.00 0.00 57.88 57.87 2k02 h LEU 37 Cb 0.51 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 2k02 h LEU 37 CO 0.09 0.15 0.33 -0.08 0.09 0.00 0.00 178.44 179.02 2k02 h GLU 38 N -0.47 0.41 -0.41 1.13 4.81 -1.21 0.10 114.58 118.93 2k02 h GLU 38 Ca -0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k02 h GLU 38 Cb 0.37 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2k02 h GLU 38 CO 0.03 0.27 0.15 -0.09 -0.73 0.00 0.00 179.01 178.64 2k02 h ARG 39 N 0.42 0.62 -0.81 1.92 2.43 -0.84 1.28 114.38 119.41 2k02 h ARG 39 Ca 0.48 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 2k02 h ARG 39 Cb 0.82 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 2k02 h ARG 39 CO -0.47 0.60 0.51 1.98 -1.51 0.00 0.00 179.97 181.07 2k02 h MET 40 N 0.52 0.93 0.00 0.20 4.05 -0.44 -2.02 114.93 118.17 2k02 h MET 40 Ca 0.14 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 2k02 h MET 40 Cb 0.21 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2k02 h MET 40 CO -0.01 0.62 -0.73 1.49 0.23 0.00 0.00 176.91 178.51 2k02 h GLU 41 N 0.96 0.00 -0.48 0.39 4.22 -0.90 -3.31 114.58 115.46 2k02 h GLU 41 Ca 0.33 0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.91 2k02 h GLU 41 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2k02 h GLU 41 CO -0.14 0.23 0.57 0.00 -2.18 0.00 0.00 179.01 177.50 2k02 h ALA 42 N 1.70 2.20 0.00 2.92 0.00 0.24 1.23 119.26 127.55 2k02 h ALA 42 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2k02 h ALA 42 Cb 1.27 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2k02 h ALA 42 CO 0.03 -0.82 -0.80 0.52 0.00 0.00 0.00 179.25 178.18 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 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 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 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.72 2k02 n GLY 44 N 1.26 0.48 0.00 8.32 0.00 0.42 -5.11 105.19 110.57 2k02 n GLY 44 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.20 -5.04 118.16 116.53 2k02 n LYS 45 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 2k02 n LYS 45 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 35.03 34.25 2k02 n LYS 45 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k02 n VAL 46 N -1.92 0.00 -3.75 3.15 0.24 -1.26 -4.99 118.33 109.80 2k02 n VAL 46 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2k02 n VAL 46 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 2k02 n VAL 46 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k02 s VAL 47 N 0.33 0.08 0.14 3.34 0.11 -0.84 -4.91 120.40 118.65 2k02 s VAL 47 Ca 0.00 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.28 2k02 s VAL 47 Cb 0.00 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2k02 s VAL 47 CO 0.00 -0.36 0.30 0.00 -3.33 0.00 0.00 175.10 171.71 2k02 s ARG 48 N -2.45 1.07 -0.17 1.54 1.04 -1.26 -1.90 118.95 116.81 2k02 s ARG 48 Ca -0.06 -0.99 -0.02 0.00 -1.04 0.00 0.00 55.73 53.62 2k02 s ARG 48 Cb -0.01 0.40 0.05 0.00 -2.04 0.00 0.00 34.95 33.35 2k02 s ARG 48 CO -0.03 -0.39 0.02 0.42 -0.04 0.00 0.00 175.30 175.28 2k02 s ILE 49 N -3.89 0.58 -0.11 4.99 1.01 -0.34 -4.88 121.20 118.56 2k02 s ILE 49 Ca 0.10 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 2k02 s ILE 49 Cb 0.03 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2k02 s ILE 49 CO -0.06 -0.09 0.71 -0.94 0.00 0.00 0.00 174.94 174.56 2k02 s SER 50 N 1.84 6.93 0.05 3.58 1.04 -1.26 0.16 113.70 126.04 2k02 s SER 50 Ca 0.00 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.56 2k02 s SER 50 Cb -0.16 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2k02 s SER 50 CO -0.07 -0.20 -0.05 -0.70 0.98 0.00 0.00 173.24 173.20 2k02 s GLU 51 N 1.24 0.52 0.37 4.02 2.12 -0.39 -4.95 118.70 121.63 2k02 s GLU 51 Ca 0.36 -0.90 0.08 0.00 0.36 0.00 0.00 54.97 54.87 2k02 s GLU 51 Cb -0.17 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.16 2k02 s GLU 51 CO 0.16 -0.03 0.30 -0.08 -0.54 0.00 0.00 175.26 175.07 2k02 s THR 52 N -2.29 3.15 0.13 -1.70 -1.32 -1.26 -2.11 115.64 110.22 2k02 s THR 52 Ca -0.05 -1.41 -0.31 0.00 -1.21 0.00 0.00 61.69 58.71 2k02 s THR 52 Cb -0.04 -3.09 -0.09 0.00 -1.51 0.00 0.00 72.50 67.77 2k02 s THR 52 CO -0.03 -0.11 1.49 -0.94 -2.21 0.00 0.00 174.62 172.82 2k02 s SER 53 N -4.02 6.71 -0.22 8.08 1.04 -1.25 -4.97 113.70 119.06 2k02 s SER 53 Ca 0.43 2.45 -0.04 0.00 0.48 0.00 0.00 55.95 59.27 2k02 s SER 53 Cb -0.04 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.61 2k02 s SER 53 CO 0.26 -0.75 0.39 -0.70 0.98 0.00 0.00 173.24 173.42 2k02 s GLU 54 N 1.31 0.33 0.00 4.02 2.56 -1.26 -4.82 118.70 120.84 2k02 s GLU 54 Ca 0.68 0.73 0.00 0.00 0.00 0.00 0.00 54.97 56.38 2k02 s GLU 54 Cb -0.40 -0.16 0.00 0.00 2.00 0.00 0.00 34.13 35.58 2k02 s GLU 54 CO 0.31 -0.48 0.00 0.41 -0.56 0.00 0.00 175.26 174.93 2k02 n GLY 55 N 5.37 1.61 0.06 -1.50 0.00 -1.26 -4.99 105.19 104.49 2k02 n GLY 55 Ca -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -7.79 4.54 -0.17 0.00 1.02 -1.26 -4.97 118.68 110.05 2k02 s LEU 57 Ca -0.09 1.90 0.19 0.00 0.02 0.00 0.00 54.13 56.15 2k02 s LEU 57 Cb 0.01 -3.75 -0.27 0.00 0.02 0.00 0.00 46.19 42.21 2k02 s LEU 57 CO 0.13 0.08 0.15 -0.24 0.02 0.00 0.00 176.35 176.49 2k02 n SER 58 N 1.16 0.00 0.00 2.29 2.88 -1.26 -4.76 113.62 113.94 2k02 n SER 58 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k02 n SER 58 Cb 0.48 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 65.11 2k02 n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k02 n GLY 59 N 1.66 -1.00 3.68 0.46 0.00 -1.26 -4.75 105.19 103.97 2k02 n GLY 59 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2k02 n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k02 s SER 60 N -1.61 6.84 0.00 1.61 0.15 -1.26 -4.92 113.70 114.51 2k02 s SER 60 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2k02 s SER 60 Cb 0.00 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2k02 s SER 60 CO 0.00 -0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.17 2k02 n LYS 62 N -2.09 0.61 -3.66 0.00 3.00 -1.26 -4.83 118.16 109.93 2k02 n LYS 62 Ca 0.00 0.23 -0.07 0.00 -0.00 0.00 0.00 58.31 58.47 2k02 n LYS 62 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.45 2k02 n LYS 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2k02 s SER 63 N -7.16 -0.64 -0.01 3.14 1.04 -1.26 -5.16 113.70 103.65 2k02 s SER 63 Ca -0.37 1.21 0.02 0.00 0.48 0.00 0.00 55.95 57.28 2k02 s SER 63 Cb 0.13 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.76 2k02 s SER 63 CO 0.53 -0.22 -0.05 0.00 0.98 0.00 0.00 173.24 174.48 2k02 h PRO 65 N 6.27 -0.72 -0.37 0.00 0.11 -2.01 -3.00 132.00 132.28 2k02 h PRO 65 Ca -0.31 0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.71 2k02 h PRO 65 Cb 1.18 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 2k02 h PRO 65 CO 0.50 -0.48 -0.31 1.49 -0.21 0.00 0.00 178.00 178.98 2k02 h GLU 66 N -0.74 0.87 -4.06 1.05 4.57 -2.03 -3.49 114.58 110.76 2k02 h GLU 66 Ca -0.01 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2k02 h GLU 66 Cb 0.70 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2k02 h GLU 66 CO -0.13 1.09 -0.40 0.41 -1.18 0.00 0.00 179.01 178.80 2k02 n GLY 67 N 0.09 -2.64 3.60 1.92 0.00 -1.13 -4.91 105.19 102.12 2k02 n GLY 67 Ca -0.02 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2k02 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k02 s LYS 68 N -1.14 3.58 1.20 1.61 -0.14 -1.26 -4.84 119.74 118.74 2k02 s LYS 68 Ca 0.04 1.08 0.00 0.00 -1.36 0.00 0.00 55.97 55.73 2k02 s LYS 68 Cb -0.01 -4.04 0.00 0.00 -1.68 0.00 0.00 37.83 32.10 2k02 s LYS 68 CO 0.38 -1.56 0.00 0.00 -0.76 0.00 0.00 175.35 173.41 2k02 n ALA 69 N 8.93 -0.60 -3.66 5.17 0.00 -1.26 -4.84 120.51 124.25 2k02 n ALA 69 Ca 0.17 0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 2k02 n ALA 69 Cb 0.48 -0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.74 -1.58 -0.15 0.00 0.00 -1.26 -5.12 121.76 111.92 2k02 s ALA 70 Ca 0.00 2.00 -0.06 0.00 0.00 0.00 0.00 51.96 53.90 2k02 s ALA 70 Cb 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 23.12 21.80 2k02 s ALA 70 CO 0.00 -0.58 0.32 0.00 0.00 0.00 0.00 175.76 175.50 2k02 s ARG 72 N 2.07 0.24 -0.09 0.00 1.70 -1.26 -3.84 118.95 117.77 2k02 s ARG 72 Ca -0.03 -0.20 -0.10 0.00 -0.47 0.00 0.00 55.73 54.93 2k02 s ARG 72 Cb -0.11 -0.18 0.03 0.00 -0.57 0.00 0.00 34.95 34.12 2k02 s ARG 72 CO -0.10 0.04 0.28 1.14 -1.08 0.00 0.00 175.30 175.59 2k02 s GLN 73 N -0.32 0.37 0.44 3.89 1.03 -0.90 -2.71 119.66 121.47 2k02 s GLN 73 Ca -0.02 0.31 0.06 0.00 0.04 0.00 0.00 55.36 55.75 2k02 s GLN 73 Cb -0.03 0.18 -0.05 0.00 0.03 0.00 0.00 33.01 33.15 2k02 s GLN 73 CO -0.00 -0.06 0.12 -1.83 -2.54 0.00 0.00 175.29 170.98 2k02 s GLU 74 N -0.05 2.14 -0.10 9.60 -1.05 -1.26 -1.26 118.70 126.72 2k02 s GLU 74 Ca -0.02 -2.04 -0.05 0.00 -0.15 0.00 0.00 54.97 52.72 2k02 s GLU 74 Cb -0.03 -1.81 -0.04 0.00 -0.44 0.00 0.00 34.13 31.82 2k02 s GLU 74 CO 0.01 -0.19 0.07 -0.46 0.95 0.00 0.00 175.26 175.64 2k02 s TRP 75 N -2.70 3.38 -0.20 4.83 -0.11 0.42 -3.80 118.94 120.76 2k02 s TRP 75 Ca 0.32 0.36 -0.03 0.00 1.22 0.00 0.00 56.10 57.97 2k02 s TRP 75 Cb 0.05 -1.87 -0.01 0.00 -1.50 0.00 0.00 33.47 30.14 2k02 s TRP 75 CO 0.18 0.60 -0.06 -0.46 -4.62 0.00 0.00 176.95 172.59 2k02 s TRP 76 N -0.93 2.94 0.18 5.86 -0.00 -0.62 -1.20 118.94 125.17 2k02 s TRP 76 Ca 0.14 -0.90 -0.14 0.00 -0.00 0.00 0.00 56.10 55.20 2k02 s TRP 76 Cb -0.12 -2.06 0.01 0.00 -0.00 0.00 0.00 33.47 31.31 2k02 s TRP 76 CO 0.03 -0.50 0.42 0.00 -0.00 0.00 0.00 176.95 176.91 2k02 s ALA 77 N 1.28 -0.55 0.53 5.86 0.00 -0.80 -2.08 121.76 126.01 2k02 s ALA 77 Ca 0.03 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.57 2k02 s ALA 77 Cb -0.14 0.85 0.06 0.00 0.00 0.00 0.00 23.12 23.88 2k02 s ALA 77 CO -0.02 -0.74 0.74 -0.51 0.00 0.00 0.00 175.76 175.23 2k02 s LEU 78 N -2.91 3.29 0.00 0.00 1.02 -1.26 -1.98 118.68 116.84 2k02 s LEU 78 Ca 0.12 -0.61 0.00 0.00 0.02 0.00 0.00 54.13 53.67 2k02 s LEU 78 Cb 0.01 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.17 2k02 s LEU 78 CO -0.02 -1.18 0.53 0.54 0.02 0.00 0.00 176.35 176.23