#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 -2.06 0.42 -5.12 0.00 -1.26 -5.17 121.76 108.58 2k02 s ALA 2 Ca 0.00 1.88 -0.00 0.00 0.00 0.00 0.00 51.96 53.84 2k02 s ALA 2 Cb 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.14 2k02 s ALA 2 CO 0.00 -1.20 0.07 0.45 0.00 0.00 0.00 175.76 175.08 2k02 n SER 3 N 5.43 0.09 0.15 0.00 2.88 -1.26 -4.98 113.62 115.92 2k02 n SER 3 Ca -0.04 -1.07 0.13 0.00 -1.33 0.00 0.00 58.87 56.55 2k02 n SER 3 Cb 0.50 -0.04 0.43 0.00 -0.75 0.00 0.00 64.21 64.35 2k02 n SER 3 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2k02 h LEU 4 N 0.00 0.00 -1.04 2.46 8.10 -1.99 -3.24 115.31 119.60 2k02 h LEU 4 Ca -0.02 0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.11 2k02 h LEU 4 Cb 0.08 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.21 2k02 h LEU 4 CO 0.02 0.00 0.62 0.24 -4.11 0.00 0.00 178.44 175.22 2k02 h MET 5 N 0.00 0.87 0.59 0.17 2.86 -1.96 0.99 114.93 118.46 2k02 h MET 5 Ca 0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2k02 h MET 5 Cb 0.65 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2k02 h MET 5 CO 0.00 0.58 -0.31 1.49 1.06 0.00 0.00 176.91 179.73 2k02 h GLU 6 N 0.90 -0.79 -0.15 1.72 4.81 -1.96 -2.32 114.58 116.79 2k02 h GLU 6 Ca 0.52 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.78 2k02 h GLU 6 Cb 0.63 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2k02 h GLU 6 CO -0.29 -0.53 -0.00 -0.39 -0.73 0.00 0.00 179.01 177.07 2k02 h VAL 7 N -0.82 1.10 -0.29 0.32 -1.51 -1.69 -2.43 116.25 110.92 2k02 h VAL 7 Ca -0.08 -0.40 0.07 0.00 -1.23 0.00 0.00 66.70 65.06 2k02 h VAL 7 Cb 0.64 1.00 -0.07 0.00 -2.13 0.00 0.00 31.29 30.72 2k02 h VAL 7 CO 0.12 0.13 -0.21 -0.09 -1.23 0.00 0.00 177.57 176.29 2k02 h ARG 8 N 0.21 -0.19 -0.15 5.19 1.12 0.12 0.42 114.38 121.11 2k02 h ARG 8 Ca 0.05 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.86 2k02 h ARG 8 Cb 0.16 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2k02 h ARG 8 CO 0.00 -0.12 -0.17 0.22 -3.11 0.00 0.00 179.97 176.79 2k02 h ASP 9 N -0.19 0.42 -0.36 -3.80 3.58 -1.12 0.26 116.42 115.20 2k02 h ASP 9 Ca 0.16 -0.49 0.06 0.00 0.42 0.00 0.00 57.03 57.17 2k02 h ASP 9 Cb 0.43 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 2k02 h ASP 9 CO -0.41 0.83 0.04 0.24 -2.88 0.00 0.00 179.24 177.06 2k02 h MET 10 N 0.02 0.14 0.03 0.28 2.86 -1.00 -0.10 114.93 117.15 2k02 h MET 10 Ca 0.02 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.44 2k02 h MET 10 Cb 0.72 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2k02 h MET 10 CO 0.04 0.09 -0.96 -0.07 1.06 0.00 0.00 176.91 177.07 2k02 h LEU 11 N 0.15 0.29 -1.82 1.22 -0.00 -0.20 -3.14 115.31 111.80 2k02 h LEU 11 Ca 0.17 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2k02 h LEU 11 Cb 0.22 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2k02 h LEU 11 CO -0.26 1.10 0.00 0.00 -0.00 0.00 0.00 178.44 179.28 2k02 h ALA 12 N 0.88 1.00 -0.34 1.53 0.00 0.07 -1.73 119.26 120.67 2k02 h ALA 12 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k02 h ALA 12 Cb 1.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2k02 h ALA 12 CO 0.15 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.68 2k02 n LEU 13 N -2.93 4.36 0.05 0.00 4.77 -0.10 -4.71 117.00 118.45 2k02 n LEU 13 Ca -0.00 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 2k02 n LEU 13 Cb 0.21 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2k02 n LEU 13 CO 0.23 0.67 0.00 0.00 -1.33 0.00 0.00 177.39 176.96 2k02 n GLN 14 N -0.25 0.00 0.00 3.23 1.13 -0.78 -5.05 117.38 115.66 2k02 n GLN 14 Ca 0.23 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 2k02 n GLN 14 Cb 0.98 -0.09 0.00 0.00 0.11 0.00 0.00 30.24 31.23 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 2.31 1.54 3.40 1.08 0.00 -0.72 -4.98 105.19 107.81 2k02 n GLY 15 Ca 0.00 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 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 3.50 0.33 1.61 3.00 -1.26 -3.01 118.95 123.12 2k02 s ARG 16 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 55.73 53.68 2k02 s ARG 16 Cb 0.00 -4.63 0.02 0.00 0.00 0.00 0.00 34.95 30.35 2k02 s ARG 16 CO 0.00 -1.57 0.62 -1.64 0.00 0.00 0.00 175.30 172.72 2k02 s MET 17 N 1.81 1.92 0.08 3.54 -1.94 -0.82 -5.01 119.30 118.88 2k02 s MET 17 Ca 0.24 -1.41 -0.03 0.00 -1.71 0.00 0.00 55.69 52.78 2k02 s MET 17 Cb -0.10 0.54 -0.03 0.00 2.01 0.00 0.00 34.83 37.25 2k02 s MET 17 CO -0.06 -0.85 0.04 -1.83 -0.01 0.00 0.00 175.02 172.30 2k02 s GLU 18 N -3.16 0.74 0.31 2.03 -1.05 -1.26 -1.07 118.70 115.25 2k02 s GLU 18 Ca 0.21 -1.23 0.26 0.00 -0.15 0.00 0.00 54.97 54.05 2k02 s GLU 18 Cb -0.03 0.25 0.79 0.00 -0.44 0.00 0.00 34.13 34.70 2k02 s GLU 18 CO 0.13 -0.18 1.75 0.00 0.95 0.00 0.00 175.26 177.90 2k02 h ALA 19 N 3.00 1.00 -0.66 -0.84 0.00 -1.96 -3.29 119.26 116.51 2k02 h ALA 19 Ca -0.34 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.71 2k02 h ALA 19 Cb 1.17 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2k02 h ALA 19 CO 0.62 0.00 0.09 -0.22 0.00 0.00 0.00 179.25 179.74 2k02 h LYS 20 N 0.00 0.19 0.22 0.00 3.64 -1.95 1.24 116.57 119.90 2k02 h LYS 20 Ca 0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2k02 h LYS 20 Cb 0.70 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2k02 h LYS 20 CO 0.00 0.13 -0.44 1.96 -2.27 0.00 0.00 179.45 178.83 2k02 h GLN 21 N 0.20 -0.71 0.00 1.90 1.08 -1.99 -0.50 115.11 115.09 2k02 h GLN 21 Ca 0.36 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 2k02 h GLN 21 Cb 0.58 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2k02 h GLN 21 CO -0.50 -0.47 0.00 1.37 -0.95 0.00 0.00 178.83 178.28 2k02 h LEU 22 N -0.74 0.00 -0.42 1.46 8.10 -1.61 -2.29 115.31 119.81 2k02 h LEU 22 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 2k02 h LEU 22 Cb 0.72 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 2k02 h LEU 22 CO -0.20 0.00 -0.42 -1.28 -4.11 0.00 0.00 178.44 172.43 2k02 h SER 23 N 0.00 0.93 0.23 0.17 0.87 0.25 -1.65 113.55 114.36 2k02 h SER 23 Ca 0.00 -0.44 -0.35 0.00 -1.23 0.00 0.00 61.79 59.77 2k02 h SER 23 Cb 0.61 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2k02 h SER 23 CO 0.00 1.22 -1.62 0.00 -0.53 0.00 0.00 176.83 175.91 2k02 h ALA 24 N 0.81 -0.02 0.00 6.23 0.00 -1.04 0.08 119.26 125.34 2k02 h ALA 24 Ca 0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 2k02 h ALA 24 Cb 1.01 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k02 h ALA 24 CO 0.10 0.85 -0.11 0.00 0.00 0.00 0.00 179.25 180.08 2k02 h ARG 25 N 0.13 0.00 0.00 0.00 3.08 -1.46 -2.52 114.38 113.61 2k02 h ARG 25 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2k02 h ARG 25 Cb 2.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.19 2k02 h ARG 25 CO 0.23 0.11 -0.84 1.28 -1.07 0.00 0.00 179.97 179.68 2k02 n LEU 26 N -3.58 0.62 -2.84 3.04 4.77 -0.62 -5.05 117.00 113.34 2k02 n LEU 26 Ca -0.02 -0.43 -0.05 0.00 -0.03 0.00 0.00 56.01 55.48 2k02 n LEU 26 Cb 0.24 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 2k02 n LEU 26 CO 0.30 0.15 0.15 0.00 -1.33 0.00 0.00 177.39 176.66 2k02 n GLN 27 N -1.44 -1.90 -4.22 3.23 3.00 -0.14 -5.05 117.38 110.86 2k02 n GLN 27 Ca 0.02 1.83 -0.17 0.00 -0.01 0.00 0.00 57.00 58.66 2k02 n GLN 27 Cb 0.26 -5.47 -0.13 0.00 0.00 0.00 0.00 30.24 24.90 2k02 n GLN 27 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2k02 s THR 28 N -2.69 0.86 -0.35 5.09 -1.32 -0.30 -5.03 115.64 111.91 2k02 s THR 28 Ca 0.15 -0.96 -0.42 0.00 -1.21 0.00 0.00 61.69 59.26 2k02 s THR 28 Cb -0.04 -0.82 -0.16 0.00 -1.51 0.00 0.00 72.50 69.96 2k02 s THR 28 CO 0.72 -0.12 1.77 -2.65 -2.21 0.00 0.00 174.62 172.13 2k02 n PRO 29 N 1.84 0.84 -0.08 7.08 -0.02 -1.26 -4.83 135.00 138.57 2k02 n PRO 29 Ca -0.19 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.46 2k02 n PRO 29 Cb 0.55 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 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 7.18 0.62 -0.71 -0.52 4.20 -1.94 -3.12 115.11 120.81 2k02 h GLN 30 Ca -0.43 -0.32 0.20 0.00 0.06 0.00 0.00 58.65 58.17 2k02 h GLN 30 Cb 1.33 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 2k02 h GLN 30 CO 0.98 0.92 0.73 -1.35 -0.67 0.00 0.00 178.83 179.43 2k02 h PRO 31 N 0.34 0.00 0.09 1.46 0.11 -1.74 -0.31 132.00 131.95 2k02 h PRO 31 Ca 0.04 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.88 2k02 h PRO 31 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2k02 h PRO 31 CO 0.06 0.00 -1.42 1.25 -0.21 0.00 0.00 178.00 177.68 2k02 h LEU 32 N 0.00 0.29 -0.64 2.35 7.12 -1.79 -3.37 115.31 119.27 2k02 h LEU 32 Ca 0.34 -0.81 0.13 0.00 0.13 0.00 0.00 57.88 57.67 2k02 h LEU 32 Cb 1.78 -0.10 -0.12 0.00 -0.53 0.00 0.00 40.66 41.70 2k02 h LEU 32 CO -0.00 1.61 -0.13 0.40 -0.13 0.00 0.00 178.44 180.18 2k02 h ILE 33 N -0.41 0.37 -1.00 4.05 1.08 -1.00 0.31 117.51 120.91 2k02 h ILE 33 Ca -0.32 -0.01 0.20 0.00 -0.39 0.00 0.00 64.86 64.34 2k02 h ILE 33 Cb 1.68 0.36 -0.11 0.00 -3.07 0.00 0.00 36.82 35.68 2k02 h ILE 33 CO 0.01 0.00 0.61 -0.78 -0.69 0.00 0.00 178.15 177.30 2k02 h ASP 34 N 0.02 0.76 1.04 1.72 3.58 -1.40 0.48 116.42 122.62 2k02 h ASP 34 Ca 0.31 0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.76 2k02 h ASP 34 Cb 0.49 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2k02 h ASP 34 CO -0.65 0.25 -0.49 0.00 -2.88 0.00 0.00 179.24 175.48 2k02 h ALA 35 N 1.65 0.84 -0.18 -0.78 0.00 -0.64 -2.15 119.26 118.00 2k02 h ALA 35 Ca 0.59 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k02 h ALA 35 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2k02 h ALA 35 CO -0.39 0.61 0.08 1.98 0.00 0.00 0.00 179.25 181.53 2k02 h MET 36 N 0.00 0.26 0.14 0.00 1.85 0.19 0.28 114.93 117.64 2k02 h MET 36 Ca -0.00 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 2k02 h MET 36 Cb 1.14 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.12 2k02 h MET 36 CO 0.06 0.31 -0.07 -0.07 -0.40 0.00 0.00 176.91 176.74 2k02 h LEU 37 N 0.15 -0.16 -1.14 3.39 -0.00 -1.38 -2.44 115.31 113.73 2k02 h LEU 37 Ca 0.06 -0.38 0.20 0.00 -0.00 0.00 0.00 57.88 57.76 2k02 h LEU 37 Cb 0.14 0.04 -0.10 0.00 -0.00 0.00 0.00 40.66 40.74 2k02 h LEU 37 CO -0.01 0.35 0.62 -0.33 -0.00 0.00 0.00 178.44 179.07 2k02 h GLU 38 N -0.73 0.64 -0.05 1.13 5.08 -1.38 0.88 114.58 120.15 2k02 h GLU 38 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k02 h GLU 38 Cb 0.52 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k02 h GLU 38 CO 0.03 0.42 0.02 -0.09 -1.00 0.00 0.00 179.01 178.39 2k02 h ARG 39 N 0.66 0.07 -0.65 2.33 9.65 -0.39 1.34 114.38 127.39 2k02 h ARG 39 Ca 0.56 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.42 2k02 h ARG 39 Cb 1.02 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.56 2k02 h ARG 39 CO -0.33 0.20 0.38 1.98 2.80 0.00 0.00 179.97 184.99 2k02 h MET 40 N -0.07 0.89 0.00 0.20 4.05 -0.60 -2.24 114.93 117.16 2k02 h MET 40 Ca 0.02 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2k02 h MET 40 Cb 0.15 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2k02 h MET 40 CO -0.00 0.65 -0.10 0.93 0.23 0.00 0.00 176.91 178.61 2k02 h GLU 41 N 0.88 0.00 -0.65 0.39 3.07 -0.77 -3.30 114.58 114.20 2k02 h GLU 41 Ca 0.23 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.28 2k02 h GLU 41 Cb -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 2k02 h GLU 41 CO -0.04 0.00 0.64 0.00 -1.40 0.00 0.00 179.01 178.20 2k02 h ALA 42 N 2.27 2.44 0.00 3.43 0.00 0.24 1.07 119.26 128.72 2k02 h ALA 42 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2k02 h ALA 42 Cb 0.86 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k02 h ALA 42 CO 0.00 -0.97 -0.56 0.00 0.00 0.00 0.00 179.25 177.72 2k02 h MET 43 N 0.00 0.00 0.00 0.00 -0.00 -1.69 -3.48 114.93 109.76 2k02 h MET 43 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.01 2k02 h MET 43 Cb 1.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.18 2k02 h MET 43 CO -0.00 0.43 0.00 0.41 -0.00 0.00 0.00 176.91 177.75 2k02 n GLY 44 N 1.23 0.88 0.00 -3.00 0.00 0.37 -5.09 105.19 99.58 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 -1.22 -5.01 118.16 118.30 2k02 n LYS 45 Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2k02 n LYS 45 Cb 0.00 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 -0.84 0.00 -4.03 -0.18 0.31 -1.26 -4.97 118.33 107.35 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 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2k02 n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k02 s VAL 47 N 0.00 0.27 -0.03 2.52 1.01 -0.68 -5.05 120.40 118.45 2k02 s VAL 47 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 2k02 s VAL 47 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.76 2k02 s VAL 47 CO 0.00 -0.57 0.25 0.00 0.00 0.00 0.00 175.10 174.78 2k02 s ARG 48 N -2.03 0.54 -0.14 2.72 1.70 -1.26 -2.17 118.95 118.31 2k02 s ARG 48 Ca -0.09 -0.13 -0.04 0.00 -0.47 0.00 0.00 55.73 55.00 2k02 s ARG 48 Cb -0.06 0.24 0.06 0.00 -0.57 0.00 0.00 34.95 34.62 2k02 s ARG 48 CO -0.02 -0.13 0.12 0.42 -1.08 0.00 0.00 175.30 174.61 2k02 s ILE 49 N -1.03 -0.17 -0.11 4.99 1.01 -0.03 -4.91 121.20 120.95 2k02 s ILE 49 Ca -0.11 0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.35 2k02 s ILE 49 Cb -0.05 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 2k02 s ILE 49 CO 0.03 -0.12 0.64 -0.55 0.00 0.00 0.00 174.94 174.93 2k02 s SER 50 N 2.21 6.84 -0.01 3.58 0.15 -1.26 0.16 113.70 125.36 2k02 s SER 50 Ca 0.04 1.02 0.03 0.00 0.70 0.00 0.00 55.95 57.73 2k02 s SER 50 Cb -0.15 -2.37 -0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2k02 s SER 50 CO -0.08 -0.14 -0.10 -0.70 1.20 0.00 0.00 173.24 173.42 2k02 s GLU 51 N 1.08 0.88 0.06 5.44 2.12 -0.69 -4.93 118.70 122.66 2k02 s GLU 51 Ca 0.33 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.38 2k02 s GLU 51 Cb -0.17 -0.84 -0.03 0.00 0.26 0.00 0.00 34.13 33.35 2k02 s GLU 51 CO 0.14 0.19 -0.19 -0.08 -0.54 0.00 0.00 175.26 174.78 2k02 s THR 52 N -0.11 1.57 -0.01 -1.70 -1.32 -1.26 -2.26 115.64 110.54 2k02 s THR 52 Ca 0.02 -1.29 -0.30 0.00 -1.21 0.00 0.00 61.69 58.90 2k02 s THR 52 Cb -0.05 -1.40 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 2k02 s THR 52 CO -0.00 0.06 1.41 -0.44 -2.21 0.00 0.00 174.62 173.43 2k02 s SER 53 N -1.46 6.85 0.30 8.08 0.01 -1.26 -5.01 113.70 121.21 2k02 s SER 53 Ca 0.06 2.09 0.02 0.00 1.31 0.00 0.00 55.95 59.43 2k02 s SER 53 Cb -0.09 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.60 2k02 s SER 53 CO 0.03 -0.73 0.13 -0.62 0.41 0.00 0.00 173.24 172.46 2k02 n GLU 54 N 5.55 1.15 0.00 12.44 -0.58 -1.26 -5.05 120.64 132.88 2k02 n GLU 54 Ca 0.13 -1.98 0.00 0.00 -0.42 0.00 0.00 57.16 54.89 2k02 n GLU 54 Cb 0.44 0.35 0.00 0.00 -0.57 0.00 0.00 31.44 31.66 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 1.43 -0.21 1.05 0.62 0.00 -1.26 -5.16 105.19 101.66 2k02 n GLY 55 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -1.57 -0.12 0.00 2.96 -1.26 -5.01 118.68 113.68 2k02 s LEU 57 Ca 0.10 0.22 0.20 0.00 -0.22 0.00 0.00 54.13 54.43 2k02 s LEU 57 Cb 0.00 2.01 -0.29 0.00 0.50 0.00 0.00 46.19 48.42 2k02 s LEU 57 CO 0.07 -0.29 0.26 -1.54 -1.32 0.00 0.00 176.35 173.54 2k02 n SER 58 N 5.41 0.03 0.00 3.68 3.41 -1.26 -4.98 113.62 119.90 2k02 n SER 58 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2k02 n SER 58 Cb 0.54 1.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.96 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 1.52 1.40 3.76 5.00 0.00 -1.26 -5.14 105.19 110.47 2k02 n GLY 59 Ca -0.19 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2k02 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k02 s SER 60 N 0.00 5.47 0.03 1.61 1.04 -1.26 -4.97 113.70 115.61 2k02 s SER 60 Ca 0.00 2.52 0.00 0.00 0.48 0.00 0.00 55.95 58.95 2k02 s SER 60 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2k02 s SER 60 CO 0.00 -1.41 0.00 0.00 0.98 0.00 0.00 173.24 172.81 2k02 n LYS 62 N -2.68 1.29 -1.69 0.00 -0.00 -1.26 -5.04 118.16 108.78 2k02 n LYS 62 Ca 0.00 -2.77 -0.42 0.00 -0.00 0.00 0.00 58.31 55.12 2k02 n LYS 62 Cb 0.00 -1.44 -0.03 0.00 -0.00 0.00 0.00 35.03 33.56 2k02 n LYS 62 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2k02 s SER 63 N -2.90 6.36 0.03 -5.58 0.01 -1.26 -4.96 113.70 105.40 2k02 s SER 63 Ca 0.33 2.56 -0.20 0.00 1.31 0.00 0.00 55.95 59.95 2k02 s SER 63 Cb 0.31 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 2k02 s SER 63 CO -0.02 -1.14 0.58 0.00 0.41 0.00 0.00 173.24 173.07 2k02 h PRO 65 N 5.08 0.28 0.00 0.00 0.13 -1.93 -3.49 132.00 132.07 2k02 h PRO 65 Ca -0.47 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 2k02 h PRO 65 Cb 1.21 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2k02 h PRO 65 CO 0.66 1.18 0.00 -1.91 -0.23 0.00 0.00 178.00 177.70 2k02 n GLU 66 N -4.21 0.00 0.00 0.86 4.07 -1.26 -5.07 120.64 115.02 2k02 n GLU 66 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 2k02 n GLU 66 Cb 0.75 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.13 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 0.00 3.55 8.31 0.00 -1.26 -5.11 105.19 109.89 2k02 n GLY 67 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.05 0.72 -2.02 1.61 5.02 -1.26 -5.02 118.16 115.17 2k02 n LYS 68 Ca 0.00 0.28 -0.06 0.00 -2.02 0.00 0.00 58.31 56.51 2k02 n LYS 68 Cb 0.01 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 2k02 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k02 n ALA 69 N -1.72 0.20 -2.44 7.82 0.00 -1.26 -4.85 120.51 118.26 2k02 n ALA 69 Ca 0.13 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.83 2k02 n ALA 69 Cb 0.47 0.21 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.19 2.37 -0.18 0.00 0.00 -1.26 -5.08 121.76 115.42 2k02 s ALA 70 Ca 0.08 -1.99 -0.28 0.00 0.00 0.00 0.00 51.96 49.77 2k02 s ALA 70 Cb -0.01 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 2k02 s ALA 70 CO 0.05 -0.19 2.15 0.00 0.00 0.00 0.00 175.76 177.77 2k02 s ARG 72 N 6.00 0.29 -0.17 0.00 1.70 -1.26 -4.19 118.95 121.31 2k02 s ARG 72 Ca 0.97 -0.53 -0.14 0.00 -0.47 0.00 0.00 55.73 55.57 2k02 s ARG 72 Cb -0.34 0.06 0.05 0.00 -0.57 0.00 0.00 34.95 34.15 2k02 s ARG 72 CO 0.36 -0.03 0.45 1.14 -1.08 0.00 0.00 175.30 176.13 2k02 s GLN 73 N -1.25 0.49 0.42 3.89 -2.07 -0.96 -3.02 119.66 117.16 2k02 s GLN 73 Ca -0.13 0.70 0.08 0.00 -1.82 0.00 0.00 55.36 54.19 2k02 s GLN 73 Cb -0.09 0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 31.98 2k02 s GLN 73 CO -0.01 -0.10 0.39 -1.83 -1.32 0.00 0.00 175.29 172.42 2k02 s GLU 74 N 0.66 2.55 -0.14 9.60 -1.05 -1.26 -1.70 118.70 127.36 2k02 s GLU 74 Ca -0.03 -1.52 -0.04 0.00 -0.15 0.00 0.00 54.97 53.23 2k02 s GLU 74 Cb -0.05 -2.40 -0.03 0.00 -0.44 0.00 0.00 34.13 31.21 2k02 s GLU 74 CO -0.04 -0.20 -0.01 -0.46 0.95 0.00 0.00 175.26 175.50 2k02 s TRP 75 N -2.46 3.10 -0.21 4.83 -0.11 0.42 -4.28 118.94 120.22 2k02 s TRP 75 Ca 0.48 -0.07 -0.05 0.00 1.22 0.00 0.00 56.10 57.68 2k02 s TRP 75 Cb -0.04 -1.92 -0.02 0.00 -1.50 0.00 0.00 33.47 30.00 2k02 s TRP 75 CO 0.28 0.16 -0.01 -0.46 -4.62 0.00 0.00 176.95 172.30 2k02 s TRP 76 N -0.04 3.01 -0.00 5.86 -0.00 -0.23 -0.85 118.94 126.68 2k02 s TRP 76 Ca 0.03 -0.63 0.03 0.00 -0.00 0.00 0.00 56.10 55.53 2k02 s TRP 76 Cb -0.13 -2.10 -0.01 0.00 -0.00 0.00 0.00 33.47 31.23 2k02 s TRP 76 CO 0.02 -0.36 -0.10 0.00 -0.00 0.00 0.00 176.95 176.51 2k02 s ALA 77 N 1.23 0.79 0.55 5.86 0.00 -0.92 -1.95 121.76 127.32 2k02 s ALA 77 Ca 0.03 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.61 2k02 s ALA 77 Cb -0.15 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.85 2k02 s ALA 77 CO 0.00 0.18 0.54 -0.51 0.00 0.00 0.00 175.76 175.98 2k02 s LEU 78 N -0.36 2.88 0.00 0.00 1.02 -1.16 -1.68 118.68 119.37 2k02 s LEU 78 Ca 0.03 -1.08 0.32 0.00 0.02 0.00 0.00 54.13 53.41 2k02 s LEU 78 Cb -0.04 -1.39 1.89 0.00 0.02 0.00 0.00 46.19 46.67 2k02 s LEU 78 CO -0.00 -1.17 2.22 0.54 0.02 0.00 0.00 176.35 177.96