#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpw n SER 2 N 0.00 0.26 0.17 1.61 2.88 -1.26 -5.07 113.62 112.21 2cpw n SER 2 Ca 0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2cpw n SER 2 Cb 0.00 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2cpw n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cpw n SER 3 N -3.38 -2.11 0.00 -3.46 2.88 -1.26 -5.14 113.62 101.15 2cpw n SER 3 Ca 0.00 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2cpw n SER 3 Cb 0.03 2.09 0.00 0.00 -0.75 0.00 0.00 64.21 65.58 2cpw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cpw n GLY 4 N -0.11 1.76 2.66 0.46 0.00 -1.26 -5.13 105.19 103.57 2cpw n GLY 4 Ca 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 2cpw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpw s SER 5 N 0.00 -0.06 0.11 1.61 0.01 -1.26 -5.07 113.70 109.05 2cpw s SER 5 Ca 0.00 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2cpw s SER 5 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2cpw s SER 5 CO 0.00 -0.00 0.00 -1.20 0.41 0.00 0.00 173.24 172.45 2cpw n SER 6 N 3.02 0.83 0.00 2.44 7.64 -1.26 -5.11 113.62 121.18 2cpw n SER 6 Ca 0.07 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2cpw n SER 6 Cb 0.66 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2cpw n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cpw n GLY 7 N 3.19 1.81 3.56 0.23 0.00 -1.26 -5.02 105.19 107.69 2cpw n GLY 7 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2cpw n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cpw s ARG 8 N 0.00 1.12 -0.30 1.61 3.03 -1.26 -5.18 118.95 117.97 2cpw s ARG 8 Ca 0.00 -0.48 -0.32 0.00 2.03 0.00 0.00 55.73 56.96 2cpw s ARG 8 Cb 0.00 0.47 0.19 0.00 -1.03 0.00 0.00 34.95 34.58 2cpw s ARG 8 CO 0.00 -0.50 1.40 0.54 -1.13 0.00 0.00 175.30 175.61 2cpw s ASN 9 N -2.69 -0.00 -0.42 -2.89 4.22 -1.26 -5.12 114.94 106.78 2cpw s ASN 9 Ca 0.06 0.00 0.02 0.00 -2.14 0.00 0.00 52.86 50.80 2cpw s ASN 9 Cb -0.02 0.00 0.13 0.00 1.28 0.00 0.00 41.25 42.64 2cpw s ASN 9 CO -0.07 -0.00 0.21 -0.13 -2.04 0.00 0.00 177.10 175.07 2cpw s ARG 10 N -1.29 1.29 -0.08 3.55 3.00 -1.26 -4.89 118.95 119.27 2cpw s ARG 10 Ca 0.11 -1.93 0.08 0.00 0.00 0.00 0.00 55.73 53.99 2cpw s ARG 10 Cb -0.01 -2.44 -0.12 0.00 0.00 0.00 0.00 34.95 32.38 2cpw s ARG 10 CO -0.07 -1.12 0.06 0.00 0.00 0.00 0.00 175.30 174.17 2cpw n GLN 11 N 3.72 2.22 -4.12 3.54 10.64 -1.26 -5.00 117.38 127.12 2cpw n GLN 11 Ca 0.06 -0.02 -0.32 0.00 -1.83 0.00 0.00 57.00 54.90 2cpw n GLN 11 Cb 0.36 -1.24 -0.07 0.00 -0.86 0.00 0.00 30.24 28.43 2cpw n GLN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2cpw s GLN 12 N -2.28 2.91 -0.52 2.61 0.74 -1.26 -5.08 119.66 116.77 2cpw s GLN 12 Ca -0.04 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 54.73 2cpw s GLN 12 Cb 0.03 -2.75 0.14 0.00 1.10 0.00 0.00 33.01 31.53 2cpw s GLN 12 CO 0.38 0.61 0.32 1.03 -0.55 0.00 0.00 175.29 177.08 2cpw s ARG 13 N -1.97 2.27 -0.50 1.67 0.52 -1.26 -5.05 118.95 114.63 2cpw s ARG 13 Ca 0.25 -2.20 -0.28 0.00 -0.52 0.00 0.00 55.73 52.98 2cpw s ARG 13 Cb -0.12 -3.64 0.01 0.00 0.52 0.00 0.00 34.95 31.71 2cpw s ARG 13 CO 0.16 -1.12 1.46 -1.25 0.02 0.00 0.00 175.30 174.57 2cpw s PRO 14 N 0.50 3.36 0.30 3.54 0.04 -1.26 -4.94 135.00 136.54 2cpw s PRO 14 Ca 0.13 0.69 0.01 0.00 0.04 0.00 0.00 61.00 61.87 2cpw s PRO 14 Cb -0.22 -4.11 -0.00 0.00 0.04 0.00 0.00 34.50 30.21 2cpw s PRO 14 CO -0.04 -1.85 0.37 0.41 0.04 0.00 0.00 177.00 175.93 2cpw n GLY 15 N 5.23 2.51 3.74 0.56 0.00 -1.26 -5.17 105.19 110.80 2cpw n GLY 15 Ca 0.15 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2cpw n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cpw s THR 16 N -2.89 1.98 -0.35 2.61 -4.23 -1.26 -5.03 115.64 106.47 2cpw s THR 16 Ca 0.28 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2cpw s THR 16 Cb -0.00 -2.65 0.07 0.00 1.34 0.00 0.00 72.50 71.26 2cpw s THR 16 CO 0.20 0.00 0.09 0.27 -0.54 0.00 0.00 174.62 174.64 2cpw s ILE 17 N -3.18 3.14 -1.49 2.99 -4.36 -1.26 -4.71 121.20 112.33 2cpw s ILE 17 Ca 0.65 -1.66 -0.05 0.00 -0.26 0.00 0.00 60.65 59.33 2cpw s ILE 17 Cb -0.15 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.60 2cpw s ILE 17 CO 0.55 -0.36 0.13 2.29 0.24 0.00 0.00 174.94 177.79 2cpw n LYS 18 N 4.61 -1.02 -1.07 0.37 0.00 -1.26 -4.30 118.16 115.49 2cpw n LYS 18 Ca -0.08 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2cpw n LYS 18 Cb 0.43 -3.51 0.00 0.00 -0.00 0.00 0.00 35.03 31.95 2cpw n LYS 18 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2cpw n HIS 19 N -4.64 -2.94 -3.98 5.58 8.25 -1.26 -5.08 115.22 111.15 2cpw n HIS 19 Ca -0.30 1.59 -0.11 0.00 -0.26 0.00 0.00 57.72 58.64 2cpw n HIS 19 Cb 0.68 -2.63 -0.03 0.00 1.12 0.00 0.00 29.99 29.13 2cpw n HIS 19 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2cpw s GLY 20 N -4.31 0.88 0.00 -1.41 0.00 -1.26 -5.09 107.32 96.14 2cpw s GLY 20 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 2cpw s GLY 20 CO 0.00 -0.68 0.14 -0.56 0.00 0.00 0.00 173.10 172.00 2cpw s SER 21 N -3.12 6.04 0.35 1.64 0.01 -1.26 -4.92 113.70 112.44 2cpw s SER 21 Ca 0.24 0.24 0.16 0.00 1.31 0.00 0.00 55.95 57.89 2cpw s SER 21 Cb -0.02 -1.82 1.19 0.00 0.21 0.00 0.00 66.02 65.58 2cpw s SER 21 CO 0.15 0.25 1.60 0.00 0.41 0.00 0.00 173.24 175.65 2cpw h ALA 22 N 3.85 1.95 0.38 1.44 0.00 -1.97 1.14 119.26 126.03 2cpw h ALA 22 Ca -0.49 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2cpw h ALA 22 Cb 1.18 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2cpw h ALA 22 CO 0.67 -0.81 -0.18 1.25 0.00 0.00 0.00 179.25 180.18 2cpw h LEU 23 N 0.07 -0.43 -1.43 0.00 5.85 -1.95 -2.67 115.31 114.76 2cpw h LEU 23 Ca 0.78 -0.12 0.26 0.00 0.84 0.00 0.00 57.88 59.64 2cpw h LEU 23 Cb 1.94 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 43.00 2cpw h LEU 23 CO -0.75 0.00 0.67 -0.78 -0.34 0.00 0.00 178.44 177.24 2cpw h ASP 24 N -0.99 0.41 0.48 1.25 1.82 -0.64 0.15 116.42 118.90 2cpw h ASP 24 Ca -0.05 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 2cpw h ASP 24 Cb 0.52 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2cpw h ASP 24 CO 0.09 0.09 -0.29 0.58 -1.61 0.00 0.00 179.24 178.09 2cpw h VAL 25 N 0.37 0.39 -0.92 2.25 2.07 0.12 -0.73 116.25 119.80 2cpw h VAL 25 Ca 0.57 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.25 2cpw h VAL 25 Cb 1.51 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 2cpw h VAL 25 CO -0.26 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.85 2cpw h LEU 26 N -0.74 0.65 -1.61 2.57 3.38 -0.42 0.70 115.31 119.85 2cpw h LEU 26 Ca -0.06 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2cpw h LEU 26 Cb 0.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2cpw h LEU 26 CO 0.06 0.31 -0.07 -0.07 0.09 0.00 0.00 178.44 178.76 2cpw h LEU 27 N 0.68 0.15 -0.58 1.67 3.38 -0.33 -1.13 115.31 119.15 2cpw h LEU 27 Ca 0.47 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.27 2cpw h LEU 27 Cb 0.79 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2cpw h LEU 27 CO -0.23 0.25 -0.60 -1.28 0.09 0.00 0.00 178.44 176.67 2cpw h SER 28 N 0.16 0.42 0.48 -0.43 0.87 0.18 -2.81 113.55 112.42 2cpw h SER 28 Ca 0.04 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 2cpw h SER 28 Cb 0.24 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2cpw h SER 28 CO 0.01 0.92 -0.15 0.24 -0.53 0.00 0.00 176.83 177.32 2cpw h MET 29 N 0.27 0.00 0.00 2.24 2.86 -0.29 -3.45 114.93 116.57 2cpw h MET 29 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2cpw h MET 29 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2cpw h MET 29 CO 0.10 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.63 2cpw n GLY 30 N -0.51 1.89 3.71 8.32 0.00 -1.01 -5.12 105.19 112.48 2cpw n GLY 30 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2cpw n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cpw s PHE 31 N -2.00 3.11 0.29 1.61 0.08 -0.76 -5.02 117.98 115.29 2cpw s PHE 31 Ca 0.00 0.10 -0.29 0.00 0.12 0.00 0.00 56.93 56.86 2cpw s PHE 31 Cb 0.00 -1.67 -0.09 0.00 -0.57 0.00 0.00 43.02 40.68 2cpw s PHE 31 CO 0.00 0.48 1.08 -1.25 -0.10 0.00 0.00 175.22 175.43 2cpw s PRO 32 N -1.66 4.63 0.16 0.24 0.04 -1.26 -3.91 135.00 133.22 2cpw s PRO 32 Ca 0.21 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2cpw s PRO 32 Cb -0.12 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2cpw s PRO 32 CO 0.12 0.22 1.46 -2.13 0.04 0.00 0.00 177.00 176.71 2cpw n ARG 33 N 1.12 -0.41 -0.20 4.56 0.63 -1.26 -0.59 116.66 120.52 2cpw n ARG 33 Ca -0.01 1.44 -0.08 0.00 -0.92 0.00 0.00 57.85 58.28 2cpw n ARG 33 Cb 0.45 -2.11 -0.06 0.00 0.45 0.00 0.00 32.46 31.19 2cpw n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cpw h ALA 34 N 0.52 -0.46 -0.94 5.13 0.00 -1.97 1.35 119.26 122.89 2cpw h ALA 34 Ca 0.16 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2cpw h ALA 34 Cb 0.40 1.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 2cpw h ALA 34 CO -0.90 -0.68 -0.56 0.54 0.00 0.00 0.00 179.25 177.65 2cpw n ARG 35 N -4.43 -0.41 -0.33 0.00 3.00 0.24 0.17 116.66 114.90 2cpw n ARG 35 Ca -0.00 1.48 0.02 0.00 -0.01 0.00 0.00 57.85 59.34 2cpw n ARG 35 Cb 0.19 -2.18 0.16 0.00 0.00 0.00 0.00 32.46 30.63 2cpw n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cpw h ALA 36 N 0.42 1.27 0.57 7.54 0.00 0.05 -0.01 119.26 129.10 2cpw h ALA 36 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2cpw h ALA 36 Cb 0.39 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2cpw h ALA 36 CO -0.89 0.31 -0.28 1.96 0.00 0.00 0.00 179.25 180.35 2cpw h GLN 37 N 1.02 -0.74 -0.81 0.00 1.08 0.93 1.03 115.11 117.62 2cpw h GLN 37 Ca 0.40 0.05 0.18 0.00 -1.45 0.00 0.00 58.65 57.84 2cpw h GLN 37 Cb 0.21 0.17 -0.15 0.00 -0.05 0.00 0.00 27.48 27.67 2cpw h GLN 37 CO -0.19 -0.50 -0.05 -0.22 -0.95 0.00 0.00 178.83 176.92 2cpw h LYS 38 N -0.77 0.06 0.77 1.46 3.64 0.19 0.46 116.57 122.37 2cpw h LYS 38 Ca -0.08 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2cpw h LYS 38 Cb 0.59 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2cpw h LYS 38 CO 0.13 0.04 -0.37 0.00 -2.27 0.00 0.00 179.45 176.98 2cpw h ALA 39 N 1.78 -1.20 -0.97 5.00 0.00 -0.82 -1.69 119.26 121.36 2cpw h ALA 39 Ca 0.43 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.31 2cpw h ALA 39 Cb 0.76 0.40 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 2cpw h ALA 39 CO -0.75 -1.12 -0.24 -0.07 0.00 0.00 0.00 179.25 177.07 2cpw h LEU 40 N -1.10 -0.89 0.12 0.00 3.38 0.26 0.27 115.31 117.34 2cpw h LEU 40 Ca -0.11 0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2cpw h LEU 40 Cb 0.80 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2cpw h LEU 40 CO 0.17 -0.32 -0.34 0.00 0.09 0.00 0.00 178.44 178.04 2cpw h ALA 41 N 1.97 -0.87 -0.85 1.53 0.00 0.02 1.34 119.26 122.40 2cpw h ALA 41 Ca 0.46 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.51 2cpw h ALA 41 Cb 0.71 0.71 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 2cpw h ALA 41 CO -0.99 -0.95 0.14 0.66 0.00 0.00 0.00 179.25 178.11 2cpw h SER 42 N -0.52 -0.16 -0.95 0.00 4.64 0.29 1.17 113.55 118.03 2cpw h SER 42 Ca -0.01 0.21 -0.54 0.00 -0.47 0.00 0.00 61.79 60.98 2cpw h SER 42 Cb 0.50 0.32 -0.29 0.00 -0.31 0.00 0.00 62.40 62.62 2cpw h SER 42 CO -0.16 -0.19 0.69 0.35 -0.87 0.00 0.00 176.83 176.65 2cpw n THR 43 N -5.29 3.23 0.00 2.95 -2.24 0.62 -4.98 114.28 108.57 2cpw n THR 43 Ca 0.19 -2.10 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 2cpw n THR 43 Cb 0.63 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2cpw n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cpw n GLY 44 N -0.99 0.19 0.00 3.38 0.00 0.45 -3.75 105.19 104.47 2cpw n GLY 44 Ca 0.58 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.32 2cpw n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cpw n GLY 45 N 0.00 -1.75 0.42 -0.02 0.00 -1.12 -3.45 105.19 99.27 2cpw n GLY 45 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 2cpw n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cpw n ARG 46 N 0.00 0.36 -4.38 1.61 0.63 -1.25 -5.07 116.66 108.56 2cpw n ARG 46 Ca 0.00 0.15 -0.19 0.00 -0.92 0.00 0.00 57.85 56.89 2cpw n ARG 46 Cb 0.00 -1.13 -0.10 0.00 0.45 0.00 0.00 32.46 31.68 2cpw n ARG 46 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2cpw s SER 47 N -6.18 2.23 0.00 6.15 0.15 -1.26 -5.01 113.70 109.78 2cpw s SER 47 Ca -0.21 -1.23 0.05 0.00 0.70 0.00 0.00 55.95 55.25 2cpw s SER 47 Cb 0.05 -0.07 -0.24 0.00 -1.71 0.00 0.00 66.02 64.05 2cpw s SER 47 CO 0.30 -0.47 0.84 -0.37 1.20 0.00 0.00 173.24 174.73 2cpw h VAL 48 N 2.35 1.11 0.46 4.45 -1.51 -1.98 -3.34 116.25 117.79 2cpw h VAL 48 Ca -0.39 -2.86 -0.01 0.00 -1.23 0.00 0.00 66.70 62.20 2cpw h VAL 48 Cb 1.23 2.62 -0.03 0.00 -2.13 0.00 0.00 31.29 32.99 2cpw h VAL 48 CO 0.66 0.73 -0.52 -0.61 -1.23 0.00 0.00 177.57 176.60 2cpw h GLN 49 N 0.03 -0.95 -1.02 5.19 5.75 -1.96 0.22 115.11 122.36 2cpw h GLN 49 Ca -0.22 0.06 0.31 0.00 -0.15 0.00 0.00 58.65 58.65 2cpw h GLN 49 Cb 1.96 0.22 -0.14 0.00 1.07 0.00 0.00 27.48 30.59 2cpw h GLN 49 CO 0.12 -0.63 0.60 0.00 -2.65 0.00 0.00 178.83 176.26 2cpw h THR 50 N -0.99 0.34 0.24 2.39 1.03 -1.99 0.33 112.91 114.28 2cpw h THR 50 Ca -0.06 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.21 2cpw h THR 50 Cb 0.87 -0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.90 2cpw h THR 50 CO -0.09 0.07 -0.12 0.00 -0.01 0.00 0.00 175.52 175.37 2cpw h ALA 51 N 1.80 -0.33 -0.69 0.00 0.00 -1.40 -2.53 119.26 116.10 2cpw h ALA 51 Ca 0.72 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.60 2cpw h ALA 51 Cb 1.64 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.43 2cpw h ALA 51 CO -0.55 -0.59 -0.37 0.00 0.00 0.00 0.00 179.25 177.74 2cpw h ASP 53 N -0.13 -1.46 -0.07 0.00 1.82 -1.11 0.15 116.42 115.62 2cpw h ASP 53 Ca 0.25 0.23 0.02 0.00 -0.39 0.00 0.00 57.03 57.14 2cpw h ASP 53 Cb 0.56 0.65 -0.02 0.00 0.68 0.00 0.00 39.33 41.20 2cpw h ASP 53 CO -0.76 -0.35 -0.04 -0.25 -1.61 0.00 0.00 179.24 176.22 2cpw h TRP 54 N -0.28 -0.10 -1.37 0.28 7.01 -0.12 0.38 115.95 121.75 2cpw h TRP 54 Ca 0.16 0.01 0.44 0.00 2.11 0.00 0.00 58.89 61.60 2cpw h TRP 54 Cb 0.57 0.06 -0.12 0.00 -2.10 0.00 0.00 29.16 27.57 2cpw h TRP 54 CO -0.67 -0.07 0.90 -0.07 -2.79 0.00 0.00 178.44 175.74 2cpw h LEU 55 N -0.05 0.22 0.00 0.65 3.38 0.43 0.13 115.31 120.07 2cpw h LEU 55 Ca 0.04 0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2cpw h LEU 55 Cb 0.11 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2cpw h LEU 55 CO -0.10 -0.14 -0.53 -0.26 0.09 0.00 0.00 178.44 177.50 2cpw h PHE 56 N 0.09 0.00 -5.92 1.13 0.04 0.10 -3.50 116.94 108.89 2cpw h PHE 56 Ca 0.81 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.45 2cpw h PHE 56 Cb 2.63 0.00 0.01 0.00 2.20 0.00 0.00 35.95 40.78 2cpw h PHE 56 CO -0.00 0.96 -0.94 -1.13 -0.60 0.00 0.00 178.31 176.60 2cpw n SER 57 N -4.56 -6.86 -4.73 2.17 3.41 0.11 -4.84 113.62 98.32 2cpw n SER 57 Ca -0.17 0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 2cpw n SER 57 Cb 0.48 -3.31 -0.03 0.00 -0.26 0.00 0.00 64.21 61.09 2cpw n SER 57 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2cpw s HIS 58 N -1.70 3.19 -0.39 7.33 3.76 -1.26 -4.97 115.29 121.25 2cpw s HIS 58 Ca 0.19 1.06 0.04 0.00 -0.15 0.00 0.00 55.06 56.20 2cpw s HIS 58 Cb -0.03 -3.69 0.18 0.00 1.11 0.00 0.00 32.58 30.15 2cpw s HIS 58 CO 0.64 -2.30 0.74 0.45 -0.85 0.00 0.00 174.74 173.42 2cpw s SER 59 N 0.63 -1.22 1.20 1.40 0.15 -1.26 -5.16 113.70 109.43 2cpw s SER 59 Ca 0.61 -0.67 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 2cpw s SER 59 Cb -0.38 1.57 0.29 0.00 -1.71 0.00 0.00 66.02 65.79 2cpw s SER 59 CO 0.36 -0.13 1.02 -0.83 1.20 0.00 0.00 173.24 174.86 2cpw s GLY 60 N 1.82 1.52 -0.65 9.45 0.00 -1.26 -4.87 107.32 113.33 2cpw s GLY 60 Ca 0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 44.72 44.29 2cpw s GLY 60 CO -0.09 0.45 1.55 2.56 0.00 0.00 0.00 173.10 177.57 2cpw s PRO 61 N -4.64 2.99 -0.17 2.90 0.04 -1.26 -4.90 135.00 129.97 2cpw s PRO 61 Ca 0.68 0.27 -0.31 0.00 0.04 0.00 0.00 61.00 61.68 2cpw s PRO 61 Cb -0.22 -4.25 0.14 0.00 0.04 0.00 0.00 34.50 30.21 2cpw s PRO 61 CO 0.63 -2.34 1.11 0.45 0.04 0.00 0.00 177.00 176.89 2cpw s SER 62 N 5.66 -0.24 -0.68 6.66 0.15 -1.26 -5.10 113.70 118.88 2cpw s SER 62 Ca 0.52 0.15 0.01 0.00 0.70 0.00 0.00 55.95 57.33 2cpw s SER 62 Cb -0.11 0.22 0.17 0.00 -1.71 0.00 0.00 66.02 64.59 2cpw s SER 62 CO 0.20 -0.30 0.49 -0.94 1.20 0.00 0.00 173.24 173.89 2cpw s SER 63 N -1.62 5.11 0.00 5.45 1.04 -1.26 -5.19 113.70 117.23 2cpw s SER 63 Ca 0.05 -3.31 0.29 0.00 0.48 0.00 0.00 55.95 53.46 2cpw s SER 63 Cb -0.01 -1.77 1.26 0.00 0.10 0.00 0.00 66.02 65.60 2cpw s SER 63 CO -0.04 -0.23 1.87 0.61 0.98 0.00 0.00 173.24 176.43