#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 3.38 0.32 1.79 0.00 -1.13 -2.22 121.76 123.89 1beg s ALA 2 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 1beg s ALA 2 Cb 0.00 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1beg s ALA 2 CO 0.00 -0.65 1.41 0.00 0.00 0.00 0.00 175.76 176.53 1beg s THR 4 N -0.77 0.92 0.00 0.00 2.01 -1.26 -4.65 115.64 111.88 1beg s THR 4 Ca 0.54 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1beg s THR 4 Cb -0.43 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1beg s THR 4 CO 0.53 0.28 0.00 0.00 -0.69 0.00 0.00 174.62 174.74 1beg n ALA 5 N 3.26 0.00 -0.30 7.40 0.00 -1.26 -2.59 120.51 127.01 1beg n ALA 5 Ca -0.18 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.41 1beg n ALA 5 Cb 0.54 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.39 1beg n ALA 5 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1beg h THR 6 N 0.00 0.73 -0.44 0.00 1.35 -1.98 -1.14 112.91 111.42 1beg h THR 6 Ca 0.00 -0.22 0.05 0.00 -0.55 0.00 0.00 66.41 65.69 1beg h THR 6 Cb 0.00 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 66.42 1beg h THR 6 CO 0.00 0.12 0.19 1.56 -0.25 0.00 0.00 175.52 177.13 1beg h GLN 7 N 0.63 0.37 0.13 4.72 4.20 -1.88 -0.35 115.11 122.93 1beg h GLN 7 Ca 0.51 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.19 1beg h GLN 7 Cb 0.95 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1beg h GLN 7 CO -0.27 0.24 -0.06 1.96 -0.67 0.00 0.00 178.83 180.03 1beg h GLN 8 N 0.38 -0.17 0.00 1.46 4.20 -1.40 -2.76 115.11 116.82 1beg h GLN 8 Ca 0.20 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1beg h GLN 8 Cb 0.16 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1beg h GLN 8 CO -0.18 0.22 -0.01 0.00 -0.67 0.00 0.00 178.83 178.19 1beg h THR 9 N -0.61 0.84 -0.03 -0.54 1.03 -1.19 0.98 112.91 113.37 1beg h THR 9 Ca -0.02 -0.05 -0.01 0.00 -0.01 0.00 0.00 66.41 66.33 1beg h THR 9 Cb 0.47 1.03 -0.00 0.00 -1.07 0.00 0.00 68.15 68.58 1beg h THR 9 CO 0.03 0.01 -0.02 0.00 -0.01 0.00 0.00 175.52 175.53 1beg h ALA 10 N 1.99 0.05 -0.84 0.00 0.00 -1.04 -1.36 119.26 118.06 1beg h ALA 10 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1beg h ALA 10 Cb 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1beg h ALA 10 CO 0.00 -0.22 0.55 0.00 0.00 0.00 0.00 179.25 179.59 1beg h ALA 11 N 0.60 1.48 -0.13 0.00 0.00 -1.01 -1.90 119.26 118.30 1beg h ALA 11 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1beg h ALA 11 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1beg h ALA 11 CO 0.01 0.44 0.08 1.88 0.00 0.00 0.00 179.25 181.66 1beg h TYR 12 N 1.05 0.16 -0.13 0.00 -1.99 -0.50 0.61 116.97 116.16 1beg h TYR 12 Ca 0.33 0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.11 1beg h TYR 12 Cb 0.02 -0.05 -0.06 0.00 2.00 0.00 0.00 36.73 38.63 1beg h TYR 12 CO -0.00 0.10 -0.36 -0.22 -0.00 0.00 0.00 178.16 177.68 1beg h LYS 13 N 0.17 -0.42 0.00 4.88 3.11 -0.43 0.75 116.57 124.63 1beg h LYS 13 Ca 0.05 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1beg h LYS 13 Cb -0.02 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1beg h LYS 13 CO -0.01 -0.28 0.00 2.41 -2.81 0.00 0.00 179.45 178.76 1beg n THR 14 N -5.42 0.00 -0.32 1.00 -1.04 -1.08 -2.51 114.28 104.90 1beg n THR 14 Ca -0.03 0.85 0.11 0.00 -2.04 0.00 0.00 64.05 62.94 1beg n THR 14 Cb 0.34 -1.67 0.29 0.00 -1.82 0.00 0.00 70.33 67.47 1beg n THR 14 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1beg h LEU 15 N 0.00 0.62 -0.09 -4.42 6.46 -0.98 -2.26 115.31 114.64 1beg h LEU 15 Ca 0.00 0.11 -0.18 0.00 -0.12 0.00 0.00 57.88 57.69 1beg h LEU 15 Cb 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1beg h LEU 15 CO 0.00 0.21 -0.63 0.58 -0.62 0.00 0.00 178.44 177.98 1beg h VAL 16 N 0.65 1.34 -0.68 1.05 2.07 -0.97 -3.13 116.25 116.59 1beg h VAL 16 Ca 0.54 -1.93 0.11 0.00 0.82 0.00 0.00 66.70 66.23 1beg h VAL 16 Cb 0.84 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 1beg h VAL 16 CO -0.40 0.59 0.45 0.28 0.02 0.00 0.00 177.57 178.51 1beg h SER 17 N 0.22 0.45 -1.36 0.57 0.02 -1.11 -3.42 113.55 108.92 1beg h SER 17 Ca -0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1beg h SER 17 Cb 1.28 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1beg h SER 17 CO 0.13 0.27 0.00 -0.38 -1.14 0.00 0.00 176.83 175.71 1beg n ILE 18 N -4.48 0.00 0.00 3.27 2.08 -1.01 -4.49 119.36 114.73 1beg n ILE 18 Ca 0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.42 1beg n ILE 18 Cb 0.38 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.76 1beg n ILE 18 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1beg n LEU 19 N 0.00 0.00 -2.18 1.39 4.77 -1.26 -4.45 117.00 115.26 1beg n LEU 19 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1beg n LEU 19 Cb 0.00 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1beg n LEU 19 CO 0.00 0.00 1.23 -0.24 -1.33 0.00 0.00 177.39 177.05 1beg n SER 20 N 3.71 5.99 -4.79 -1.43 2.88 -1.26 -4.70 113.62 114.01 1beg n SER 20 Ca 0.00 -3.74 -0.33 0.00 -1.33 0.00 0.00 58.87 53.47 1beg n SER 20 Cb 0.00 -0.86 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 1beg n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1beg s ASP 21 N -1.91 5.77 0.21 -3.46 2.15 -1.26 -5.01 116.67 113.15 1beg s ASP 21 Ca 0.60 0.19 -0.10 0.00 0.43 0.00 0.00 52.55 53.67 1beg s ASP 21 Cb 0.48 -1.69 0.29 0.00 -0.30 0.00 0.00 42.92 41.70 1beg s ASP 21 CO 0.03 0.29 1.69 0.00 -0.17 0.00 0.00 175.17 177.01 1beg h ALA 22 N 4.24 0.67 -0.09 3.66 0.00 -1.97 0.64 119.26 126.41 1beg h ALA 22 Ca -0.50 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1beg h ALA 22 Cb 1.19 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1beg h ALA 22 CO 0.62 -0.34 -0.03 1.03 0.00 0.00 0.00 179.25 180.53 1beg h SER 23 N 0.20 -0.10 -0.27 0.00 0.87 -1.96 0.15 113.55 112.46 1beg h SER 23 Ca 0.31 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1beg h SER 23 Cb 0.49 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1beg h SER 23 CO -0.44 -0.04 0.09 0.15 -0.53 0.00 0.00 176.83 176.06 1beg h PHE 24 N -0.01 0.42 -0.28 2.24 3.04 -1.78 -0.68 116.94 119.90 1beg h PHE 24 Ca 0.04 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1beg h PHE 24 Cb 0.07 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 1beg h PHE 24 CO -0.14 0.45 0.09 -0.91 -2.02 0.00 0.00 178.31 175.78 1beg h ASN 25 N 0.27 0.10 0.48 0.41 4.21 -0.64 -0.04 115.58 120.36 1beg h ASN 25 Ca 0.09 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.61 1beg h ASN 25 Cb 0.23 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1beg h ASN 25 CO -0.00 0.09 -0.30 -0.61 -1.29 0.00 0.00 177.43 175.31 1beg h GLN 26 N 0.22 -0.72 -0.29 0.81 -0.00 -0.54 -2.52 115.11 112.06 1beg h GLN 26 Ca 0.13 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 1beg h GLN 26 Cb 0.10 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1beg h GLN 26 CO -0.13 -0.48 0.13 0.00 0.00 0.00 0.00 178.83 178.35 1beg h SER 28 N 0.40 1.03 -0.96 0.00 0.87 -0.72 -2.15 113.55 112.02 1beg h SER 28 Ca 0.10 -0.21 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1beg h SER 28 Cb 0.06 -0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 61.67 1beg h SER 28 CO -0.01 0.97 0.61 0.74 -0.53 0.00 0.00 176.83 178.61 1beg h THR 29 N 1.04 0.95 0.02 2.23 2.02 -1.03 -3.00 112.91 115.14 1beg h THR 29 Ca 0.23 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1beg h THR 29 Cb 0.30 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1beg h THR 29 CO -0.01 0.18 -0.01 -0.78 0.37 0.00 0.00 175.52 175.27 1beg h ASP 30 N 0.96 -0.03 0.00 4.18 3.58 -1.58 -3.49 116.42 120.05 1beg h ASP 30 Ca 0.46 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1beg h ASP 30 Cb 0.45 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1beg h ASP 30 CO -0.22 0.74 0.00 -0.24 -2.88 0.00 0.00 179.24 176.64 1beg n SER 31 N -4.71 0.00 0.00 2.28 2.88 -0.85 -5.06 113.62 108.15 1beg n SER 31 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1beg n SER 31 Cb 0.29 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.65 2.93 4.18 0.46 0.00 -0.93 -4.58 105.19 106.59 1beg n GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1beg n GLY 32 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1beg n TYR 33 N -1.05 0.00 -2.69 1.61 9.36 -1.26 -3.62 117.16 119.51 1beg n TYR 33 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 1beg n TYR 33 Cb 0.00 -0.53 0.02 0.00 -0.63 0.00 0.00 39.34 38.20 1beg n TYR 33 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1beg n SER 34 N 0.00 -2.89 0.12 2.98 7.64 -1.26 -4.86 113.62 115.34 1beg n SER 34 Ca 0.00 -0.15 0.19 0.00 1.01 0.00 0.00 58.87 59.92 1beg n SER 34 Cb 0.00 -1.70 0.76 0.00 -1.01 0.00 0.00 64.21 62.26 1beg n SER 34 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1beg h MET 35 N -0.67 0.00 0.00 1.43 4.05 -1.84 0.58 114.93 118.49 1beg h MET 35 Ca -0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1beg h MET 35 Cb 1.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1beg h MET 35 CO 0.14 0.00 -1.37 1.47 0.23 0.00 0.00 176.91 177.39 1beg n LEU 36 N -3.91 0.58 -0.02 3.39 -0.00 -1.26 -4.53 117.00 111.25 1beg n LEU 36 Ca 0.06 -0.26 0.02 0.00 -0.00 0.00 0.00 56.01 55.83 1beg n LEU 36 Cb 0.50 -0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.83 1beg n LEU 36 CO 0.30 0.13 -0.68 0.41 -0.00 0.00 0.00 177.39 177.55 1beg n THR 37 N -1.83 0.22 -4.33 1.47 -1.04 -0.91 -4.40 114.28 103.45 1beg n THR 37 Ca 0.01 -0.28 -0.34 0.00 -2.04 0.00 0.00 64.05 61.39 1beg n THR 37 Cb 0.43 -0.08 -0.10 0.00 -1.82 0.00 0.00 70.33 68.75 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 -2.52 3.21 -0.21 2.41 0.00 0.15 -4.74 121.76 120.07 1beg s ALA 38 Ca -0.04 -0.80 0.18 0.00 0.00 0.00 0.00 51.96 51.30 1beg s ALA 38 Cb 0.05 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1beg s ALA 38 CO 0.40 0.41 1.17 1.57 0.00 0.00 0.00 175.76 179.31 1beg h LYS 39 N 5.86 0.00 -7.41 0.00 -0.00 -1.86 -3.43 116.57 109.73 1beg h LYS 39 Ca -0.43 0.00 -0.50 0.00 -0.00 0.00 0.00 60.65 59.72 1beg h LYS 39 Cb 1.19 0.00 0.07 0.00 -0.00 0.00 0.00 32.23 33.49 1beg h LYS 39 CO 0.59 0.24 0.41 0.00 -0.00 0.00 0.00 179.45 180.70 1beg s ALA 40 N -3.08 3.01 0.37 0.07 0.00 -1.26 -5.01 121.76 115.86 1beg s ALA 40 Ca 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1beg s ALA 40 Cb 0.08 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1beg s ALA 40 CO 0.77 -0.90 0.56 -0.51 0.00 0.00 0.00 175.76 175.68 1beg s LEU 41 N -5.26 3.92 0.60 0.00 1.43 -1.26 -4.98 118.68 113.13 1beg s LEU 41 Ca 0.56 0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.84 1beg s LEU 41 Cb -0.11 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1beg s LEU 41 CO 0.53 -0.42 0.99 -2.16 0.23 0.00 0.00 176.35 175.52 1beg s PRO 42 N -4.34 3.53 0.46 1.29 0.04 -1.26 -5.09 135.00 129.63 1beg s PRO 42 Ca 0.43 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 1beg s PRO 42 Cb -0.10 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1beg s PRO 42 CO 0.35 -0.54 0.77 0.95 0.04 0.00 0.00 177.00 178.57 1beg s THR 43 N -3.12 4.91 0.32 1.26 -4.23 -1.26 -4.84 115.64 108.68 1beg s THR 43 Ca 0.54 0.21 0.07 0.00 -1.18 0.00 0.00 61.69 61.33 1beg s THR 43 Cb -0.11 -3.85 0.38 0.00 1.34 0.00 0.00 72.50 70.26 1beg s THR 43 CO 0.52 -0.79 1.59 0.00 -0.54 0.00 0.00 174.62 175.40 1beg h THR 44 N 0.37 0.08 -0.18 3.99 1.03 -1.98 0.12 112.91 116.34 1beg h THR 44 Ca -0.47 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1beg h THR 44 Cb 1.20 0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.29 1beg h THR 44 CO 0.62 0.01 0.11 0.00 -0.01 0.00 0.00 175.52 176.25 1beg h ALA 45 N 1.95 0.22 -0.58 0.00 0.00 -2.00 -1.69 119.26 117.15 1beg h ALA 45 Ca 0.66 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.49 1beg h ALA 45 Cb 1.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1beg h ALA 45 CO -0.83 -0.29 0.12 1.96 0.00 0.00 0.00 179.25 180.22 1beg h GLN 46 N 0.23 0.90 0.80 0.00 1.08 -1.22 -2.72 115.11 114.19 1beg h GLN 46 Ca 0.06 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1beg h GLN 46 Cb -0.01 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1beg h GLN 46 CO -0.01 0.82 -0.39 1.88 -0.95 0.00 0.00 178.83 180.18 1beg h TYR 47 N 0.86 -1.00 -0.69 2.96 0.05 -0.47 0.22 116.97 118.90 1beg h TYR 47 Ca 0.18 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.02 1beg h TYR 47 Cb 0.34 0.33 -0.06 0.00 1.01 0.00 0.00 36.73 38.34 1beg h TYR 47 CO 0.02 -0.62 0.37 1.57 -1.05 0.00 0.00 178.16 178.45 1beg h LYS 48 N -1.10 0.63 -0.44 4.88 2.10 -1.37 -0.47 116.57 120.80 1beg h LYS 48 Ca -0.11 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1beg h LYS 48 Cb 0.83 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 31.98 1beg h LYS 48 CO 0.18 0.42 0.25 -0.07 -2.00 0.00 0.00 179.45 178.23 1beg h LEU 49 N 0.65 0.39 -0.75 7.07 3.38 -1.45 -2.68 115.31 121.93 1beg h LEU 49 Ca 0.33 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.22 1beg h LEU 49 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1beg h LEU 49 CO -0.23 0.28 -0.00 0.24 0.09 0.00 0.00 178.44 178.82 1beg h MET 50 N 0.50 0.95 0.00 1.13 2.86 -0.14 -2.94 114.93 117.29 1beg h MET 50 Ca 0.18 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1beg h MET 50 Cb 0.04 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1beg h MET 50 CO -0.10 0.94 0.00 0.00 1.06 0.00 0.00 176.91 178.82 1beg h ALA 52 N 2.11 0.33 -2.23 0.00 0.00 -1.42 -3.46 119.26 114.58 1beg h ALA 52 Ca 0.00 -1.18 -0.55 0.00 0.00 0.00 0.00 54.91 53.18 1beg h ALA 52 Cb 0.20 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1beg h ALA 52 CO 0.00 1.19 1.02 0.45 0.00 0.00 0.00 179.25 181.91 1beg s SER 53 N -6.93 6.76 0.32 0.00 0.15 -1.20 -4.92 113.70 107.88 1beg s SER 53 Ca -0.11 2.07 0.04 0.00 0.70 0.00 0.00 55.95 58.65 1beg s SER 53 Cb 0.07 -2.54 0.66 0.00 -1.71 0.00 0.00 66.02 62.50 1beg s SER 53 CO 0.84 -0.87 1.89 0.00 1.20 0.00 0.00 173.24 176.31 1beg h THR 54 N 5.52 0.97 -0.11 6.45 1.03 -1.89 -2.73 112.91 122.15 1beg h THR 54 Ca -0.35 -0.30 0.03 0.00 -0.01 0.00 0.00 66.41 65.78 1beg h THR 54 Cb 1.15 0.01 -0.04 0.00 -1.07 0.00 0.00 68.15 68.21 1beg h THR 54 CO 0.96 0.16 -0.12 0.00 -0.01 0.00 0.00 175.52 176.51 1beg h ALA 55 N 1.56 -0.04 -0.64 0.00 0.00 -1.91 -1.86 119.26 116.37 1beg h ALA 55 Ca 0.41 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.40 1beg h ALA 55 Cb 0.41 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1beg h ALA 55 CO -0.18 -0.57 0.39 0.00 0.00 0.00 0.00 179.25 178.89 1beg h ASN 57 N 0.76 0.82 -0.20 0.00 2.35 -1.38 -1.30 115.58 116.63 1beg h ASN 57 Ca 0.26 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1beg h ASN 57 Cb 0.05 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1beg h ASN 57 CO -0.12 0.85 0.11 0.74 -1.65 0.00 0.00 177.43 177.37 1beg h THR 58 N 0.74 1.09 0.10 2.81 2.02 -1.05 -0.77 112.91 117.87 1beg h THR 58 Ca 0.16 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1beg h THR 58 Cb 0.37 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1beg h THR 58 CO 0.01 0.09 -0.40 0.24 0.37 0.00 0.00 175.52 175.82 1beg h MET 59 N 0.22 -0.56 0.17 6.66 2.07 -0.84 -0.37 114.93 122.28 1beg h MET 59 Ca 0.07 0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.73 1beg h MET 59 Cb 0.04 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.90 1beg h MET 59 CO -0.01 -0.37 -0.08 0.82 1.07 0.00 0.00 176.91 178.33 1beg h ILE 60 N -0.58 0.86 -0.92 -1.22 2.04 -1.23 -2.69 117.51 113.77 1beg h ILE 60 Ca -0.01 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.78 1beg h ILE 60 Cb 0.58 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1beg h ILE 60 CO -0.21 0.04 0.59 0.50 0.00 0.00 0.00 178.15 179.07 1beg h LYS 61 N -0.31 0.92 0.24 2.37 1.63 -1.12 -1.12 116.57 119.18 1beg h LYS 61 Ca -0.02 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1beg h LYS 61 Cb 0.24 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1beg h LYS 61 CO 0.04 0.61 -0.16 -0.22 -3.45 0.00 0.00 179.45 176.26 1beg h LYS 62 N 0.95 -0.39 -0.89 1.90 3.64 -0.84 -1.00 116.57 119.94 1beg h LYS 62 Ca 0.42 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1beg h LYS 62 Cb 0.36 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1beg h LYS 62 CO -0.18 -0.26 0.50 0.82 -2.27 0.00 0.00 179.45 178.06 1beg h ILE 63 N -0.40 1.26 0.63 2.00 1.08 -1.11 -0.96 117.51 119.99 1beg h ILE 63 Ca -0.02 -0.61 -0.03 0.00 -0.39 0.00 0.00 64.86 63.81 1beg h ILE 63 Cb 0.34 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 1beg h ILE 63 CO 0.01 0.28 -0.32 0.58 -0.69 0.00 0.00 178.15 178.01 1beg h VAL 64 N 1.24 0.34 -0.87 1.67 2.07 -0.90 -2.28 116.25 117.53 1beg h VAL 64 Ca 0.31 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1beg h VAL 64 Cb 0.01 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 1beg h VAL 64 CO -0.05 0.00 0.56 0.74 0.02 0.00 0.00 177.57 178.84 1beg h THR 65 N -0.88 0.98 -0.54 2.57 2.02 -1.04 -2.03 112.91 114.00 1beg h THR 65 Ca -0.08 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1beg h THR 65 Cb 0.68 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1beg h THR 65 CO 0.12 0.16 0.27 0.25 0.37 0.00 0.00 175.52 176.69 1beg h LEU 66 N 0.87 0.38 -2.48 2.58 7.12 -0.74 -3.49 115.31 119.55 1beg h LEU 66 Ca 0.40 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.44 1beg h LEU 66 Cb 0.38 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1beg h LEU 66 CO -0.16 0.26 -0.61 -3.20 -0.13 0.00 0.00 178.44 174.59 1beg n ASN 67 N -4.88 -5.40 -4.92 1.25 2.85 -0.76 -5.06 115.26 98.33 1beg n ASN 67 Ca 0.05 0.86 -0.26 0.00 -0.11 0.00 0.00 54.58 55.12 1beg n ASN 67 Cb 0.15 -3.60 0.06 0.00 1.24 0.00 0.00 39.78 37.63 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1beg s PRO 68 N -0.97 2.42 0.00 1.20 0.04 -1.26 -5.07 135.00 131.35 1beg s PRO 68 Ca -0.01 -0.12 -0.19 0.00 0.04 0.00 0.00 61.00 60.72 1beg s PRO 68 Cb 0.00 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1beg s PRO 68 CO 0.47 -1.11 0.54 -1.25 0.04 0.00 0.00 177.00 175.69 1beg s PRO 69 N -5.21 4.22 -0.15 0.56 0.04 -1.26 -4.90 135.00 128.30 1beg s PRO 69 Ca 0.58 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 1beg s PRO 69 Cb -0.11 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 1beg s PRO 69 CO 0.46 0.46 2.16 0.27 0.04 0.00 0.00 177.00 180.39 1beg n ASN 70 N 2.45 3.47 -3.61 6.66 0.23 -1.26 -4.64 115.26 118.55 1beg n ASN 70 Ca -0.09 0.39 -0.03 0.00 -0.53 0.00 0.00 54.58 54.32 1beg n ASN 70 Cb 0.51 -1.54 -0.01 0.00 -2.08 0.00 0.00 39.78 36.66 1beg n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1beg s ASP 72 N -2.59 5.60 -0.03 0.00 1.01 -0.94 -4.00 116.67 115.73 1beg s ASP 72 Ca 0.11 -0.08 0.07 0.00 0.71 0.00 0.00 52.55 53.36 1beg s ASP 72 Cb 0.01 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.90 1beg s ASP 72 CO -0.04 -0.02 -0.23 -1.48 0.21 0.00 0.00 175.17 173.61 1beg s LEU 73 N 1.52 2.04 0.22 1.23 0.05 -1.00 -2.50 118.68 120.24 1beg s LEU 73 Ca 0.06 -0.43 -0.08 0.00 0.05 0.00 0.00 54.13 53.73 1beg s LEU 73 Cb -0.15 -1.22 -0.07 0.00 -2.05 0.00 0.00 46.19 42.70 1beg s LEU 73 CO 0.06 0.27 0.52 0.42 -0.55 0.00 0.00 176.35 177.08 1beg s THR 74 N -0.46 4.98 -0.36 5.48 -4.23 -1.26 -1.44 115.64 118.35 1beg s THR 74 Ca 0.06 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.82 1beg s THR 74 Cb -0.10 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1beg s THR 74 CO -0.00 -0.07 0.23 -0.69 -0.54 0.00 0.00 174.62 173.55 1beg s VAL 75 N -1.81 5.04 0.46 2.29 1.01 -0.99 -4.98 120.40 121.42 1beg s VAL 75 Ca 0.46 -0.46 0.28 0.00 0.00 0.00 0.00 61.98 62.26 1beg s VAL 75 Cb -0.11 -3.67 0.31 0.00 0.00 0.00 0.00 36.38 32.90 1beg s VAL 75 CO 0.22 -0.10 2.13 1.55 0.00 0.00 0.00 175.10 178.89 1beg h PRO 76 N 8.49 0.00 -0.09 2.72 0.13 -1.97 -3.07 132.00 138.20 1beg h PRO 76 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1beg h PRO 76 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1beg h PRO 76 CO 0.66 0.08 0.00 -2.37 -0.23 0.00 0.00 178.00 176.14 1beg n THR 77 N -3.69 0.13 -0.08 1.56 5.66 -1.26 -4.68 114.28 111.92 1beg n THR 77 Ca -0.02 -0.56 -0.12 0.00 -3.05 0.00 0.00 64.05 60.30 1beg n THR 77 Cb 0.19 1.28 -0.07 0.00 -1.55 0.00 0.00 70.33 70.19 1beg n THR 77 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1beg n SER 78 N 1.08 2.45 -0.13 1.09 3.41 -1.17 -4.80 113.62 115.55 1beg n SER 78 Ca 0.12 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1beg n SER 78 Cb 0.48 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1beg n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1beg n GLY 79 N 2.61 0.71 3.59 5.00 0.00 -1.19 -4.64 105.19 111.28 1beg n GLY 79 Ca -0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1beg n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1beg s LEU 80 N -0.26 -0.18 0.04 0.99 2.96 -1.26 -5.01 118.68 115.95 1beg s LEU 80 Ca 0.00 0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1beg s LEU 80 Cb 0.00 1.48 -0.04 0.00 0.50 0.00 0.00 46.19 48.12 1beg s LEU 80 CO 0.00 -0.25 0.23 0.54 -1.32 0.00 0.00 176.35 175.56 1beg s VAL 81 N -1.91 5.36 0.00 1.68 0.11 -1.26 -2.36 120.40 122.02 1beg s VAL 81 Ca 0.07 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1beg s VAL 81 Cb -0.01 -3.59 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1beg s VAL 81 CO -0.04 0.23 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.71 1beg s LEU 82 N -2.20 2.04 -0.56 2.54 2.96 -0.52 -4.98 118.68 117.95 1beg s LEU 82 Ca 0.32 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.93 1beg s LEU 82 Cb -0.13 -0.11 0.08 0.00 0.50 0.00 0.00 46.19 46.53 1beg s LEU 82 CO 0.22 -0.01 0.70 0.21 -1.32 0.00 0.00 176.35 176.15 1beg s ASN 83 N -0.25 6.20 0.20 3.68 3.84 -1.26 -2.37 114.94 124.98 1beg s ASN 83 Ca -0.01 -1.16 0.03 0.00 0.21 0.00 0.00 52.86 51.93 1beg s ASN 83 Cb -0.02 -2.31 0.11 0.00 -0.55 0.00 0.00 41.25 38.48 1beg s ASN 83 CO -0.00 -1.06 1.46 0.58 -2.79 0.00 0.00 177.10 175.29 1beg h VAL 84 N 5.91 1.44 0.41 -5.21 2.07 -1.93 -3.22 116.25 115.71 1beg h VAL 84 Ca -0.29 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 64.91 1beg h VAL 84 Cb 1.09 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1beg h VAL 84 CO 1.05 0.68 -0.32 0.22 0.02 0.00 0.00 177.57 179.22 1beg h TYR 85 N 0.15 -0.87 -0.68 1.57 5.03 -1.82 -3.16 116.97 117.18 1beg h TYR 85 Ca -0.03 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1beg h TYR 85 Cb 1.32 0.33 -0.03 0.00 1.55 0.00 0.00 36.73 39.89 1beg h TYR 85 CO 0.03 -0.45 0.36 0.66 -1.32 0.00 0.00 178.16 177.44 1beg h SER 86 N -0.70 0.85 -0.14 -2.11 4.64 -1.96 -3.31 113.55 110.81 1beg h SER 86 Ca -0.05 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1beg h SER 86 Cb 0.59 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1beg h SER 86 CO 0.01 0.69 -0.19 0.22 -0.87 0.00 0.00 176.83 176.70 1beg h TYR 87 N 0.95 -0.58 -0.92 4.77 3.20 -1.55 -2.61 116.97 120.23 1beg h TYR 87 Ca 0.24 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.26 1beg h TYR 87 Cb 0.04 0.27 -0.13 0.00 1.54 0.00 0.00 36.73 38.45 1beg h TYR 87 CO 0.01 -0.16 -0.44 0.00 -1.64 0.00 0.00 178.16 175.93 1beg n ALA 88 N -2.84 -0.32 0.06 1.82 0.00 -1.22 -1.94 120.51 116.08 1beg n ALA 88 Ca -0.01 0.86 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 1beg n ALA 88 Cb 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1beg n ALA 88 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1beg h ASN 89 N 0.00 0.57 -0.19 0.00 -0.26 -1.74 -3.31 115.58 110.64 1beg h ASN 89 Ca 0.25 -0.44 -0.05 0.00 -0.56 0.00 0.00 56.30 55.50 1beg h ASN 89 Cb 0.47 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 1beg h ASN 89 CO -0.89 1.22 -0.03 1.23 -1.06 0.00 0.00 177.43 177.90 1beg h GLY 90 N 1.17 0.53 -0.01 2.83 0.00 -1.01 -3.30 103.07 103.27 1beg h GLY 90 Ca -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 46.96 1beg h GLY 90 CO 0.16 0.30 -0.51 -2.75 0.00 0.00 0.00 176.54 173.74 1beg h PHE 91 N 0.47 -1.50 0.25 5.60 3.04 -1.48 -0.45 116.94 122.87 1beg h PHE 91 Ca 0.10 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1beg h PHE 91 Cb 0.35 0.66 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1beg h PHE 91 CO 0.01 -0.54 -0.12 0.66 -2.02 0.00 0.00 178.31 176.30 1beg h SER 92 N -0.63 -0.28 -0.68 0.41 4.64 -1.77 -0.65 113.55 114.59 1beg h SER 92 Ca 0.01 -0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.39 1beg h SER 92 Cb 0.68 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.78 1beg h SER 92 CO -0.35 -0.15 0.33 -1.13 -0.87 0.00 0.00 176.83 174.66 1beg h ASN 93 N -0.38 0.44 -0.38 4.97 -1.24 -1.63 -0.73 115.58 116.64 1beg h ASN 93 Ca -0.03 0.05 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 1beg h ASN 93 Cb 0.29 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1beg h ASN 93 CO 0.06 0.26 -0.10 0.50 -1.29 0.00 0.00 177.43 176.86 1beg h LYS 94 N 0.59 0.74 -0.22 6.67 3.11 -0.97 -2.21 116.57 124.28 1beg h LYS 94 Ca 0.33 -0.29 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1beg h LYS 94 Cb 0.32 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 1beg h LYS 94 CO -0.25 0.89 0.10 0.00 -2.81 0.00 0.00 179.45 177.38 1beg h SER 96 N 0.22 0.80 1.08 0.00 0.02 -1.13 -2.68 113.55 111.85 1beg h SER 96 Ca 0.07 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.85 1beg h SER 96 Cb 0.13 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1beg h SER 96 CO -0.01 0.56 -0.79 -1.28 -1.14 0.00 0.00 176.83 174.17 1beg h SER 97 N 0.94 0.00 0.00 3.07 0.87 -1.21 -3.51 113.55 113.71 1beg h SER 97 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1beg h SER 97 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1beg h SER 97 CO -0.10 0.79 0.00 -0.11 -0.53 0.00 0.00 176.83 176.88