#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1beg s ALA 2 N 0.00 4.38 0.93 2.41 0.00 -0.89 -2.81 121.76 125.78 1beg s ALA 2 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 51.96 50.11 1beg s ALA 2 Cb 0.00 -1.44 0.15 0.00 0.00 0.00 0.00 23.12 21.83 1beg s ALA 2 CO 0.00 -0.25 1.09 0.00 0.00 0.00 0.00 175.76 176.60 1beg n THR 4 N -4.01 0.00 0.02 0.00 -2.24 -1.26 -4.88 114.28 101.92 1beg n THR 4 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1beg n THR 4 Cb 0.55 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1beg n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1beg n ALA 5 N -3.00 3.00 -0.09 6.98 0.00 -1.26 -4.47 120.51 121.67 1beg n ALA 5 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1beg n ALA 5 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1beg n ALA 5 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1beg h THR 6 N 0.00 1.11 -0.64 0.00 2.02 -1.98 -0.36 112.91 113.05 1beg h THR 6 Ca 0.00 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1beg h THR 6 Cb 0.00 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1beg h THR 6 CO 0.00 0.10 0.38 1.56 0.37 0.00 0.00 175.52 177.93 1beg h GLN 7 N 0.39 0.70 -0.18 6.66 7.50 -1.96 -0.64 115.11 127.58 1beg h GLN 7 Ca 0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 1beg h GLN 7 Cb 0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.37 1beg h GLN 7 CO -0.02 0.47 -0.01 0.37 -1.50 0.00 0.00 178.83 178.13 1beg h GLN 8 N 0.72 0.33 -0.04 1.46 4.15 -1.69 -2.18 115.11 117.87 1beg h GLN 8 Ca 0.27 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 1beg h GLN 8 Cb 0.09 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1beg h GLN 8 CO -0.14 0.56 -0.26 1.79 -1.93 0.00 0.00 178.83 178.85 1beg h THR 9 N 0.07 1.21 0.02 2.39 1.35 -0.83 0.59 112.91 117.71 1beg h THR 9 Ca 0.05 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1beg h THR 9 Cb 0.42 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1beg h THR 9 CO 0.01 0.28 -0.01 0.00 -0.25 0.00 0.00 175.52 175.56 1beg h ALA 10 N 1.68 -0.03 -0.36 6.62 0.00 -1.03 -0.07 119.26 126.07 1beg h ALA 10 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1beg h ALA 10 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1beg h ALA 10 CO 0.04 -0.23 -0.17 0.00 0.00 0.00 0.00 179.25 178.88 1beg h ALA 11 N 0.35 1.02 -0.25 0.00 0.00 -1.25 -2.82 119.26 116.32 1beg h ALA 11 Ca -0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1beg h ALA 11 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1beg h ALA 11 CO 0.00 0.58 -0.22 1.88 0.00 0.00 0.00 179.25 181.50 1beg h TYR 12 N 0.60 0.70 0.19 0.00 -1.99 -0.89 -0.51 116.97 115.07 1beg h TYR 12 Ca 0.09 -0.20 0.01 0.00 2.00 0.00 0.00 58.73 60.63 1beg h TYR 12 Cb 0.63 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.18 1beg h TYR 12 CO 0.03 0.90 -0.27 -0.22 -0.00 0.00 0.00 178.16 178.60 1beg h LYS 13 N 0.30 -0.50 0.56 4.88 3.64 -0.91 0.18 116.57 124.72 1beg h LYS 13 Ca 0.04 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1beg h LYS 13 Cb 0.77 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1beg h LYS 13 CO 0.06 -0.34 -0.40 1.15 -2.27 0.00 0.00 179.45 177.66 1beg h THR 14 N -0.52 0.00 0.40 1.00 2.02 -1.51 -2.60 112.91 111.69 1beg h THR 14 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1beg h THR 14 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1beg h THR 14 CO -0.10 0.00 -0.20 0.25 0.37 0.00 0.00 175.52 175.84 1beg h LEU 15 N -0.91 -0.47 -0.77 2.58 5.85 -1.04 -2.76 115.31 117.79 1beg h LEU 15 Ca -0.07 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.83 1beg h LEU 15 Cb 0.75 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.79 1beg h LEU 15 CO 0.04 -0.33 0.25 1.62 -0.34 0.00 0.00 178.44 179.69 1beg h VAL 16 N -0.54 0.55 -0.25 1.05 3.04 -0.77 0.18 116.25 119.52 1beg h VAL 16 Ca -0.05 -0.12 0.03 0.00 -1.01 0.00 0.00 66.70 65.55 1beg h VAL 16 Cb 0.42 0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 29.84 1beg h VAL 16 CO 0.08 0.06 0.06 0.28 -1.01 0.00 0.00 177.57 177.05 1beg h SER 17 N 0.35 0.04 -0.28 3.17 0.02 -1.51 -1.74 113.55 113.60 1beg h SER 17 Ca 0.44 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.29 1beg h SER 17 Cb 0.74 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1beg h SER 17 CO -0.48 0.05 -0.29 0.40 -1.14 0.00 0.00 176.83 175.37 1beg h ILE 18 N 0.16 1.28 -0.70 3.27 1.08 -0.89 -3.19 117.51 118.51 1beg h ILE 18 Ca 0.11 -1.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.13 1beg h ILE 18 Cb 0.10 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 1beg h ILE 18 CO -0.14 0.48 0.38 -0.07 -0.69 0.00 0.00 178.15 178.11 1beg h LEU 19 N 0.67 0.86 -2.12 1.44 3.38 -0.17 -2.74 115.31 116.63 1beg h LEU 19 Ca 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1beg h LEU 19 Cb 0.83 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1beg h LEU 19 CO 0.07 0.70 0.02 -1.54 0.09 0.00 0.00 178.44 177.78 1beg n SER 20 N -4.37 3.00 -4.62 -0.43 3.41 -0.70 -4.91 113.62 105.00 1beg n SER 20 Ca 0.07 -2.41 -0.27 0.00 -0.26 0.00 0.00 58.87 56.00 1beg n SER 20 Cb 0.10 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 63.38 1beg n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1beg s ASP 21 N -0.29 4.55 0.52 4.04 2.15 -1.04 -5.04 116.67 121.56 1beg s ASP 21 Ca 0.23 -0.45 0.30 0.00 0.43 0.00 0.00 52.55 53.06 1beg s ASP 21 Cb 0.17 -0.89 1.26 0.00 -0.30 0.00 0.00 42.92 43.16 1beg s ASP 21 CO 0.06 0.11 1.95 0.00 -0.17 0.00 0.00 175.17 177.13 1beg h ALA 22 N 2.93 1.03 -0.28 3.66 0.00 -1.91 -3.26 119.26 121.43 1beg h ALA 22 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1beg h ALA 22 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1beg h ALA 22 CO 0.56 0.10 0.18 1.03 0.00 0.00 0.00 179.25 181.13 1beg h SER 23 N 0.00 0.33 -0.42 0.00 0.87 -1.96 -0.29 113.55 112.08 1beg h SER 23 Ca -0.00 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1beg h SER 23 Cb 0.56 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1beg h SER 23 CO 0.01 0.25 0.12 0.15 -0.53 0.00 0.00 176.83 176.83 1beg h PHE 24 N 0.38 0.69 -0.57 2.24 3.57 -1.79 -2.17 116.94 119.29 1beg h PHE 24 Ca 0.10 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1beg h PHE 24 Cb -0.03 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1beg h PHE 24 CO -0.05 0.64 0.33 -0.91 -2.23 0.00 0.00 178.31 176.09 1beg h ASN 25 N 0.54 0.70 -0.15 0.41 2.35 -1.61 -1.95 115.58 115.88 1beg h ASN 25 Ca 0.13 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1beg h ASN 25 Cb 0.29 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1beg h ASN 25 CO -0.00 0.58 -0.12 -0.61 -1.65 0.00 0.00 177.43 175.63 1beg h GLN 26 N 0.77 -0.12 0.14 0.81 5.75 -0.75 -2.24 115.11 119.46 1beg h GLN 26 Ca 0.20 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1beg h GLN 26 Cb 0.02 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1beg h GLN 26 CO -0.04 -0.08 -0.08 0.00 -2.65 0.00 0.00 178.83 175.98 1beg h SER 28 N -0.21 -0.73 -0.86 0.00 0.02 -1.12 -1.86 113.55 108.79 1beg h SER 28 Ca -0.01 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1beg h SER 28 Cb 0.18 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 1beg h SER 28 CO 0.02 -0.24 0.52 0.74 -1.14 0.00 0.00 176.83 176.73 1beg h THR 29 N -0.15 1.24 0.25 -2.27 2.02 -1.31 -1.81 112.91 110.89 1beg h THR 29 Ca 0.19 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1beg h THR 29 Cb 0.45 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1beg h THR 29 CO -0.48 0.25 -0.12 0.44 0.37 0.00 0.00 175.52 175.97 1beg h ASP 30 N 1.18 -0.29 0.00 4.18 5.19 -0.62 -3.41 116.42 122.65 1beg h ASP 30 Ca 0.31 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1beg h ASP 30 Cb -0.06 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1beg h ASP 30 CO -0.06 -0.19 -0.35 -0.24 -3.12 0.00 0.00 179.24 175.28 1beg n SER 31 N -5.23 0.75 0.00 6.45 2.88 -0.95 -5.09 113.62 112.43 1beg n SER 31 Ca -0.09 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1beg n SER 31 Cb 0.16 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1beg n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1beg n GLY 32 N 1.78 2.45 3.75 0.46 0.00 -0.68 -5.09 105.19 107.86 1beg n GLY 32 Ca -0.05 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1beg n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1beg s TYR 33 N 0.00 2.82 -0.05 1.61 5.04 -1.26 -4.89 117.35 120.62 1beg s TYR 33 Ca 0.00 0.91 0.02 0.00 -2.44 0.00 0.00 57.07 55.56 1beg s TYR 33 Cb 0.00 -3.98 0.01 0.00 0.35 0.00 0.00 41.96 38.34 1beg s TYR 33 CO 0.00 -3.22 -0.11 -1.54 -1.34 0.00 0.00 175.55 169.34 1beg s SER 34 N 0.36 1.58 0.27 4.32 1.04 -1.26 -4.46 113.70 115.55 1beg s SER 34 Ca 0.61 -0.26 0.15 0.00 0.48 0.00 0.00 55.95 56.93 1beg s SER 34 Cb -0.46 -0.62 0.06 0.00 0.10 0.00 0.00 66.02 65.10 1beg s SER 34 CO 0.48 0.05 1.42 -0.03 0.98 0.00 0.00 173.24 176.14 1beg h MET 35 N 6.75 0.00 0.00 4.02 4.05 -1.96 -2.72 114.93 125.06 1beg h MET 35 Ca -0.33 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1beg h MET 35 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1beg h MET 35 CO 0.48 0.48 -0.34 1.28 0.23 0.00 0.00 176.91 179.04 1beg n LEU 36 N -3.21 0.53 0.01 3.39 4.77 -1.26 -4.56 117.00 116.67 1beg n LEU 36 Ca 0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1beg n LEU 36 Cb 0.73 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1beg n LEU 36 CO 0.40 -0.02 -0.40 0.41 -1.33 0.00 0.00 177.39 176.45 1beg n THR 37 N -1.86 0.14 -0.84 -5.08 -1.04 -1.25 -4.45 114.28 99.90 1beg n THR 37 Ca 0.05 0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.82 1beg n THR 37 Cb 0.39 -1.43 0.20 0.00 -1.82 0.00 0.00 70.33 67.68 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg s ALA 38 N -2.00 0.45 0.10 2.41 0.00 -1.03 -4.64 121.76 117.04 1beg s ALA 38 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1beg s ALA 38 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1beg s ALA 38 CO 0.00 -3.22 0.00 1.63 0.00 0.00 0.00 175.76 174.17 1beg n LYS 39 N -4.48 0.00 -2.42 0.00 4.01 -1.26 -4.68 118.16 109.33 1beg n LYS 39 Ca 0.05 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.44 1beg n LYS 39 Cb 0.55 -0.43 -0.04 0.00 -0.51 0.00 0.00 35.03 34.60 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1beg s ALA 40 N -2.00 3.41 0.82 7.82 0.00 -1.26 -5.02 121.76 125.53 1beg s ALA 40 Ca 0.00 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 1beg s ALA 40 Cb 0.00 -3.40 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1beg s ALA 40 CO 0.00 -0.34 1.19 -0.51 0.00 0.00 0.00 175.76 176.11 1beg s LEU 41 N -0.09 3.09 0.45 0.00 1.43 -1.26 -4.98 118.68 117.32 1beg s LEU 41 Ca 0.53 2.33 -0.24 0.00 -1.03 0.00 0.00 54.13 55.72 1beg s LEU 41 Cb -0.31 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.25 1beg s LEU 41 CO 0.35 -2.72 1.21 -2.16 0.23 0.00 0.00 176.35 173.26 1beg s PRO 42 N -4.23 3.77 0.67 1.29 0.04 -1.26 -5.04 135.00 130.25 1beg s PRO 42 Ca 0.72 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.52 1beg s PRO 42 Cb -0.27 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1beg s PRO 42 CO 0.52 -0.57 1.09 0.99 0.04 0.00 0.00 177.00 179.06 1beg s THR 43 N -1.45 3.49 0.34 1.26 2.01 -1.26 -4.67 115.64 115.36 1beg s THR 43 Ca 0.62 0.63 0.13 0.00 0.31 0.00 0.00 61.69 63.39 1beg s THR 43 Cb -0.32 -3.17 0.34 0.00 0.01 0.00 0.00 72.50 69.36 1beg s THR 43 CO 0.39 -0.49 1.62 0.00 -0.69 0.00 0.00 174.62 175.45 1beg h THR 44 N -0.16 0.16 0.10 -0.82 1.03 -1.98 0.26 112.91 111.50 1beg h THR 44 Ca -0.46 -0.05 -0.00 0.00 -0.01 0.00 0.00 66.41 65.88 1beg h THR 44 Cb 1.23 -0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1beg h THR 44 CO 0.55 0.03 -0.05 0.00 -0.01 0.00 0.00 175.52 176.04 1beg h ALA 45 N 1.91 -0.13 -0.57 0.00 0.00 -2.00 -0.67 119.26 117.80 1beg h ALA 45 Ca 0.73 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.48 1beg h ALA 45 Cb 1.73 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1beg h ALA 45 CO -0.71 -0.51 0.08 1.96 0.00 0.00 0.00 179.25 180.07 1beg h GLN 46 N -0.26 0.92 0.06 0.00 4.20 -1.19 -2.81 115.11 116.02 1beg h GLN 46 Ca -0.01 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1beg h GLN 46 Cb 0.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1beg h GLN 46 CO 0.02 0.86 -0.06 1.88 -0.67 0.00 0.00 178.83 180.86 1beg h TYR 47 N 0.87 -0.16 -0.23 2.96 0.05 -0.29 -0.69 116.97 119.47 1beg h TYR 47 Ca 0.18 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.02 1beg h TYR 47 Cb 0.40 0.06 -0.06 0.00 1.01 0.00 0.00 36.73 38.14 1beg h TYR 47 CO 0.02 -0.10 -0.17 0.87 -1.05 0.00 0.00 178.16 177.74 1beg h LYS 48 N -0.14 -0.16 -0.42 4.88 1.79 -0.96 0.34 116.57 121.90 1beg h LYS 48 Ca 0.01 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1beg h LYS 48 Cb 0.14 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1beg h LYS 48 CO -0.02 -0.10 0.25 -0.07 -1.08 0.00 0.00 179.45 178.42 1beg h LEU 49 N -0.16 0.41 -1.11 2.94 3.38 -1.31 -2.45 115.31 117.01 1beg h LEU 49 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1beg h LEU 49 Cb 0.36 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1beg h LEU 49 CO -0.33 0.29 0.61 -0.03 0.09 0.00 0.00 178.44 179.07 1beg h MET 50 N 0.50 1.09 0.00 1.13 4.05 -0.34 -2.34 114.93 119.02 1beg h MET 50 Ca 0.16 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1beg h MET 50 Cb -0.00 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 30.55 1beg h MET 50 CO -0.07 0.72 -0.09 0.00 0.23 0.00 0.00 176.91 177.70 1beg n ALA 52 N -2.25 2.89 -2.74 0.00 0.00 -0.88 -4.83 120.51 112.71 1beg n ALA 52 Ca -0.02 -3.71 -0.04 0.00 0.00 0.00 0.00 53.44 49.68 1beg n ALA 52 Cb 0.21 -0.83 0.07 0.00 0.00 0.00 0.00 19.45 18.90 1beg n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1beg n SER 53 N 1.52 0.36 0.00 0.00 7.64 -1.23 -4.94 113.62 116.96 1beg n SER 53 Ca 0.24 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.81 1beg n SER 53 Cb 0.49 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1beg n SER 53 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1beg n THR 54 N -0.67 0.00 -0.25 0.44 -2.24 -1.26 -2.64 114.28 107.67 1beg n THR 54 Ca 0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1beg n THR 54 Cb 0.83 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 69.24 1beg n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1beg h ALA 55 N 0.00 1.01 -0.55 6.98 0.00 -1.97 -1.93 119.26 122.79 1beg h ALA 55 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1beg h ALA 55 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1beg h ALA 55 CO 0.00 -0.24 0.33 0.00 0.00 0.00 0.00 179.25 179.35 1beg h ASN 57 N 0.66 0.14 -0.39 0.00 4.21 -1.60 -2.26 115.58 116.35 1beg h ASN 57 Ca 0.22 -0.14 0.05 0.00 1.21 0.00 0.00 56.30 57.64 1beg h ASN 57 Cb 0.01 -0.04 -0.05 0.00 -1.12 0.00 0.00 38.32 37.13 1beg h ASN 57 CO -0.09 0.24 0.12 0.74 -1.29 0.00 0.00 177.43 177.15 1beg h THR 58 N 0.04 0.86 -0.10 2.81 2.02 -1.27 -0.47 112.91 116.80 1beg h THR 58 Ca 0.04 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1beg h THR 58 Cb 0.14 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1beg h THR 58 CO -0.00 0.05 -0.32 0.24 0.37 0.00 0.00 175.52 175.86 1beg h MET 59 N 0.27 -0.31 0.17 6.66 2.07 -0.91 0.20 114.93 123.08 1beg h MET 59 Ca 0.18 0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.82 1beg h MET 59 Cb 0.18 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.98 1beg h MET 59 CO -0.20 -0.21 -0.08 0.82 1.07 0.00 0.00 176.91 178.31 1beg h ILE 60 N -0.32 0.94 -0.94 -1.22 2.04 -1.35 -2.78 117.51 113.88 1beg h ILE 60 Ca 0.02 -0.83 0.13 0.00 1.00 0.00 0.00 64.86 65.19 1beg h ILE 60 Cb 0.39 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 1beg h ILE 60 CO -0.26 0.18 0.60 0.50 0.00 0.00 0.00 178.15 179.17 1beg h LYS 61 N -0.66 0.79 0.05 2.37 3.64 -1.12 -0.29 116.57 121.36 1beg h LYS 61 Ca -0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1beg h LYS 61 Cb 0.48 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1beg h LYS 61 CO 0.04 0.52 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.50 1beg h LYS 62 N 0.82 -0.07 -0.91 1.90 3.64 -0.97 -1.04 116.57 119.93 1beg h LYS 62 Ca 0.47 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.87 1beg h LYS 62 Cb 0.63 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 1beg h LYS 62 CO -0.23 0.19 0.60 0.82 -2.27 0.00 0.00 179.45 178.56 1beg h ILE 63 N -0.33 1.21 0.22 2.00 2.04 -1.08 -2.50 117.51 119.07 1beg h ILE 63 Ca -0.01 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1beg h ILE 63 Cb 0.29 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1beg h ILE 63 CO 0.01 0.22 -0.11 0.58 0.00 0.00 0.00 178.15 178.86 1beg h VAL 64 N 1.21 0.85 -0.81 1.67 2.07 -0.90 -2.95 116.25 117.40 1beg h VAL 64 Ca 0.34 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.51 1beg h VAL 64 Cb -0.09 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1beg h VAL 64 CO -0.08 0.10 0.53 0.71 0.02 0.00 0.00 177.57 178.85 1beg h THR 65 N -0.54 0.90 -0.58 2.57 1.35 -1.04 -1.80 112.91 113.78 1beg h THR 65 Ca -0.03 -0.23 -0.06 0.00 -0.55 0.00 0.00 66.41 65.53 1beg h THR 65 Cb 0.40 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.96 1beg h THR 65 CO 0.05 0.12 0.12 -0.07 -0.25 0.00 0.00 175.52 175.50 1beg h LEU 66 N 0.68 0.90 -2.32 3.87 -0.00 -1.37 -3.49 115.31 113.58 1beg h LEU 66 Ca 0.38 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1beg h LEU 66 Cb 0.55 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1beg h LEU 66 CO -0.15 0.91 -0.47 -3.20 -0.00 0.00 0.00 178.44 175.53 1beg n ASN 67 N -4.35 -7.64 -4.78 -0.43 5.15 -0.68 -5.04 115.26 97.49 1beg n ASN 67 Ca 0.03 0.51 -0.29 0.00 -0.60 0.00 0.00 54.58 54.23 1beg n ASN 67 Cb 0.25 -5.17 0.12 0.00 -0.53 0.00 0.00 39.78 34.46 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1beg s PRO 68 N -2.52 1.43 0.34 1.20 0.04 -1.26 -5.05 135.00 129.18 1beg s PRO 68 Ca 0.23 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 61.49 1beg s PRO 68 Cb -0.07 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1beg s PRO 68 CO 0.73 -2.04 0.95 -1.25 0.04 0.00 0.00 177.00 175.43 1beg s PRO 69 N -5.19 4.52 -0.18 0.56 0.04 -1.26 -4.89 135.00 128.60 1beg s PRO 69 Ca 0.63 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 1beg s PRO 69 Cb -0.15 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1beg s PRO 69 CO 0.54 0.22 1.70 1.21 0.04 0.00 0.00 177.00 180.71 1beg s ASN 70 N -1.70 6.33 -0.29 6.66 3.84 -1.26 -4.63 114.94 123.89 1beg s ASN 70 Ca 0.52 1.79 -0.26 0.00 0.21 0.00 0.00 52.86 55.12 1beg s ASN 70 Cb -0.17 -2.53 0.19 0.00 -0.55 0.00 0.00 41.25 38.19 1beg s ASN 70 CO 0.22 -1.27 1.40 0.00 -2.79 0.00 0.00 177.10 174.66 1beg s ASP 72 N -0.29 7.24 -0.17 0.00 1.01 -1.12 -4.29 116.67 119.05 1beg s ASP 72 Ca 0.07 1.73 -0.02 0.00 0.71 0.00 0.00 52.55 55.04 1beg s ASP 72 Cb -0.04 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1beg s ASP 72 CO -0.13 -0.38 -0.07 -0.22 0.21 0.00 0.00 175.17 174.57 1beg s LEU 73 N 1.38 2.92 0.03 1.23 2.96 -0.66 -1.92 118.68 124.62 1beg s LEU 73 Ca 0.53 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.99 1beg s LEU 73 Cb -0.23 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.70 1beg s LEU 73 CO 0.25 0.10 0.45 -0.89 -1.32 0.00 0.00 176.35 174.95 1beg s THR 74 N 0.74 4.95 -0.28 3.68 2.01 -1.26 -1.23 115.64 124.25 1beg s THR 74 Ca -0.03 0.92 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 1beg s THR 74 Cb -0.15 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1beg s THR 74 CO 0.02 0.55 0.06 -0.69 -0.69 0.00 0.00 174.62 173.87 1beg s VAL 75 N -1.11 3.88 0.22 3.82 1.01 -0.75 -4.97 120.40 122.50 1beg s VAL 75 Ca 0.26 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1beg s VAL 75 Cb -0.17 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 1beg s VAL 75 CO 0.15 0.14 1.52 1.55 0.00 0.00 0.00 175.10 178.46 1beg h PRO 76 N 8.21 0.23 0.37 2.72 0.13 -1.97 -2.08 132.00 139.60 1beg h PRO 76 Ca -0.33 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1beg h PRO 76 Cb 1.13 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1beg h PRO 76 CO 0.60 0.81 -0.18 1.79 -0.23 0.00 0.00 178.00 180.79 1beg h THR 77 N 0.16 0.64 0.08 1.56 1.35 -1.95 -3.31 112.91 111.44 1beg h THR 77 Ca -0.01 -0.03 -0.11 0.00 -0.55 0.00 0.00 66.41 65.70 1beg h THR 77 Cb 1.20 0.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1beg h THR 77 CO 0.10 0.01 -0.47 0.77 -0.25 0.00 0.00 175.52 175.68 1beg h SER 78 N -0.51 0.27 -0.54 5.36 4.64 -1.78 -3.48 113.55 117.52 1beg h SER 78 Ca -0.05 -0.97 0.00 0.00 -0.47 0.00 0.00 61.79 60.30 1beg h SER 78 Cb 0.39 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1beg h SER 78 CO 0.08 1.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.88 1beg n GLY 79 N 1.64 0.74 3.07 -0.77 0.00 -0.79 -4.89 105.19 104.19 1beg n GLY 79 Ca -0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1beg n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1beg s LEU 80 N -0.54 2.43 -0.08 0.99 2.01 -1.18 -5.02 118.68 117.30 1beg s LEU 80 Ca 0.00 -0.91 -0.14 0.00 0.01 0.00 0.00 54.13 53.09 1beg s LEU 80 Cb 0.00 0.20 -0.05 0.00 0.01 0.00 0.00 46.19 46.35 1beg s LEU 80 CO 0.00 -0.55 0.36 -0.69 1.01 0.00 0.00 176.35 176.48 1beg s VAL 81 N -3.49 5.18 -0.05 -1.59 1.01 -1.26 -1.81 120.40 118.39 1beg s VAL 81 Ca 0.03 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1beg s VAL 81 Cb 0.05 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1beg s VAL 81 CO -0.08 0.49 -0.02 -0.22 0.00 0.00 0.00 175.10 175.26 1beg s LEU 82 N -0.36 1.11 -0.53 3.92 2.96 -0.36 -4.99 118.68 120.43 1beg s LEU 82 Ca 0.21 -0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 53.85 1beg s LEU 82 Cb -0.15 -0.37 0.07 0.00 0.50 0.00 0.00 46.19 46.24 1beg s LEU 82 CO 0.09 -0.10 0.65 0.21 -1.32 0.00 0.00 176.35 175.88 1beg s ASN 83 N 1.18 6.21 0.42 3.68 3.84 -1.26 -1.65 114.94 127.36 1beg s ASN 83 Ca -0.07 -1.09 0.14 0.00 0.21 0.00 0.00 52.86 52.05 1beg s ASN 83 Cb -0.14 -2.29 0.91 0.00 -0.55 0.00 0.00 41.25 39.18 1beg s ASN 83 CO -0.02 -0.96 1.93 0.58 -2.79 0.00 0.00 177.10 175.84 1beg h VAL 84 N 5.88 1.16 0.46 -5.21 2.07 -1.92 -1.45 116.25 117.24 1beg h VAL 84 Ca -0.28 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1beg h VAL 84 Cb 1.09 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1beg h VAL 84 CO 1.01 0.25 -0.22 0.22 0.02 0.00 0.00 177.57 178.84 1beg h TYR 85 N 0.00 -0.57 0.00 1.57 3.20 -1.82 -3.06 116.97 116.29 1beg h TYR 85 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1beg h TYR 85 Cb 0.46 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 1beg h TYR 85 CO 0.00 -0.25 -0.10 0.77 -1.64 0.00 0.00 178.16 176.94 1beg h SER 86 N -0.93 0.00 0.86 -2.11 0.02 -1.93 -3.07 113.55 106.38 1beg h SER 86 Ca -0.06 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1beg h SER 86 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1beg h SER 86 CO 0.10 0.10 -0.44 0.22 -1.14 0.00 0.00 176.83 175.67 1beg h TYR 87 N 0.00 -1.16 -0.11 3.45 3.20 -1.16 0.91 116.97 122.11 1beg h TYR 87 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1beg h TYR 87 Cb 0.27 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1beg h TYR 87 CO 0.00 -0.70 0.06 0.00 -1.64 0.00 0.00 178.16 175.88 1beg h ALA 88 N -1.08 0.13 0.00 1.82 0.00 -1.51 -0.78 119.26 117.84 1beg h ALA 88 Ca -0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1beg h ALA 88 Cb 0.93 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1beg h ALA 88 CO 0.17 -0.39 -0.56 -0.91 0.00 0.00 0.00 179.25 177.56 1beg h ASN 89 N 0.13 0.00 0.24 0.00 -0.26 -1.57 -3.34 115.58 110.78 1beg h ASN 89 Ca 0.04 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.44 1beg h ASN 89 Cb -0.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1beg h ASN 89 CO -0.02 0.56 -1.84 1.23 -1.06 0.00 0.00 177.43 176.30 1beg h GLY 90 N 1.85 0.29 0.87 2.83 0.00 -0.76 -3.36 103.07 104.78 1beg h GLY 90 Ca -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 1beg h GLY 90 CO 0.07 0.64 -0.45 -2.75 0.00 0.00 0.00 176.54 174.05 1beg h PHE 91 N 0.07 -1.19 -0.27 5.60 3.04 -1.26 -2.14 116.94 120.79 1beg h PHE 91 Ca -0.36 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 61.63 1beg h PHE 91 Cb 2.04 0.42 -0.06 0.00 2.56 0.00 0.00 35.95 40.91 1beg h PHE 91 CO 0.07 -0.69 -0.10 0.77 -2.02 0.00 0.00 178.31 176.34 1beg h SER 92 N -1.15 -0.36 -0.70 0.41 0.02 -1.80 0.10 113.55 110.08 1beg h SER 92 Ca -0.10 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1beg h SER 92 Cb 0.91 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 1beg h SER 92 CO 0.12 -0.13 0.46 -1.13 -1.14 0.00 0.00 176.83 175.01 1beg h ASN 93 N -0.05 0.73 0.48 3.07 -1.24 -1.71 -1.80 115.58 115.05 1beg h ASN 93 Ca 0.14 -0.01 -0.23 0.00 0.71 0.00 0.00 56.30 56.91 1beg h ASN 93 Cb 0.26 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1beg h ASN 93 CO -0.31 0.51 -0.99 0.11 -1.29 0.00 0.00 177.43 175.46 1beg h LYS 94 N 0.85 0.32 -0.70 6.67 6.56 -0.69 -2.55 116.57 127.03 1beg h LYS 94 Ca 0.28 -0.38 -0.02 0.00 -1.06 0.00 0.00 60.65 59.47 1beg h LYS 94 Cb 0.05 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.79 1beg h LYS 94 CO -0.08 1.09 0.38 0.00 -2.06 0.00 0.00 179.45 178.78 1beg h SER 96 N 0.96 0.85 0.37 0.00 4.64 -1.45 -3.21 113.55 115.72 1beg h SER 96 Ca 0.25 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1beg h SER 96 Cb 0.05 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1beg h SER 96 CO -0.04 1.30 -0.10 -1.20 -0.87 0.00 0.00 176.83 175.93 1beg n SER 97 N -3.94 0.42 0.00 4.97 7.64 -0.96 -5.13 113.62 116.62 1beg n SER 97 Ca -0.06 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1beg n SER 97 Cb 0.70 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1beg n SER 97 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92