#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1beg n ALA 2 N 0.00 1.86 -2.22 6.98 0.00 -1.14 -4.96 120.51 121.03 1beg n ALA 2 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1beg n ALA 2 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 1beg n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1beg s THR 4 N 0.48 0.39 0.00 0.00 2.01 -1.26 -4.64 115.64 112.63 1beg s THR 4 Ca 0.56 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1beg s THR 4 Cb -0.31 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1beg s THR 4 CO 0.33 0.16 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 1beg n ALA 5 N 3.58 0.00 -0.32 7.40 0.00 -1.26 -2.07 120.51 127.83 1beg n ALA 5 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.32 1beg n ALA 5 Cb 0.54 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.24 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 0.75 -0.10 0.00 1.35 -1.98 -1.05 112.91 111.88 1beg h THR 6 Ca 0.00 -0.25 -0.15 0.00 -0.55 0.00 0.00 66.41 65.46 1beg h THR 6 Cb 0.00 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.39 1beg h THR 6 CO 0.00 0.13 -0.60 1.56 -0.25 0.00 0.00 175.52 176.36 1beg h GLN 7 N 0.71 0.35 -0.02 4.72 4.20 -1.79 0.53 115.11 123.81 1beg h GLN 7 Ca 0.50 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1beg h GLN 7 Cb 0.69 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 1beg h GLN 7 CO -0.35 0.85 -0.02 0.37 -0.67 0.00 0.00 178.83 179.01 1beg h GLN 8 N 0.26 0.05 -0.28 1.46 4.15 -1.42 -1.07 115.11 118.25 1beg h GLN 8 Ca -0.01 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1beg h GLN 8 Cb 1.13 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 1beg h GLN 8 CO 0.10 0.49 -0.05 1.79 -1.93 0.00 0.00 178.83 179.23 1beg h THR 9 N -0.40 1.20 0.12 2.39 1.35 -1.23 0.80 112.91 117.13 1beg h THR 9 Ca 0.00 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 1beg h THR 9 Cb 0.48 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1beg h THR 9 CO 0.00 0.27 -0.06 0.00 -0.25 0.00 0.00 175.52 175.49 1beg h ALA 10 N 1.53 -0.16 -0.13 6.62 0.00 -0.73 -0.49 119.26 125.90 1beg h ALA 10 Ca 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1beg h ALA 10 Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1beg h ALA 10 CO 0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 179.25 178.62 1beg h ALA 11 N 0.48 1.47 -0.06 0.00 0.00 -0.88 -2.41 119.26 117.85 1beg h ALA 11 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1beg h ALA 11 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1beg h ALA 11 CO 0.03 0.37 -0.13 1.88 0.00 0.00 0.00 179.25 181.40 1beg h TYR 12 N 0.20 0.25 -0.16 0.00 -1.99 -0.54 0.52 116.97 115.25 1beg h TYR 12 Ca 0.04 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1beg h TYR 12 Cb 0.43 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1beg h TYR 12 CO 0.01 0.73 0.11 -0.22 -0.00 0.00 0.00 178.16 178.78 1beg h LYS 13 N -0.29 0.21 0.56 4.88 3.64 -1.00 0.63 116.57 125.19 1beg h LYS 13 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1beg h LYS 13 Cb 0.72 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1beg h LYS 13 CO 0.03 0.14 -0.27 1.15 -2.27 0.00 0.00 179.45 178.24 1beg h THR 14 N 0.22 0.00 0.11 1.00 2.02 -1.49 -2.60 112.91 112.16 1beg h THR 14 Ca 0.06 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1beg h THR 14 Cb -0.02 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1beg h THR 14 CO -0.01 0.00 -0.07 0.25 0.37 0.00 0.00 175.52 176.06 1beg h LEU 15 N -1.17 -0.17 -0.19 2.58 6.46 -0.94 -1.50 115.31 120.38 1beg h LEU 15 Ca -0.08 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1beg h LEU 15 Cb 0.57 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1beg h LEU 15 CO 0.13 -0.12 0.03 0.58 -0.62 0.00 0.00 178.44 178.44 1beg h VAL 16 N -0.18 1.22 0.00 1.05 2.07 -1.03 -2.89 116.25 116.49 1beg h VAL 16 Ca -0.01 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1beg h VAL 16 Cb 0.15 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1beg h VAL 16 CO 0.01 0.22 -0.00 0.28 0.02 0.00 0.00 177.57 178.09 1beg h SER 17 N 0.10 0.00 -0.76 0.57 0.02 -1.46 -3.05 113.55 108.98 1beg h SER 17 Ca 0.06 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1beg h SER 17 Cb 0.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1beg h SER 17 CO 0.00 0.00 0.50 -0.29 -1.14 0.00 0.00 176.83 175.91 1beg h ILE 18 N 0.00 1.20 0.00 3.27 -0.00 -1.04 -3.39 117.51 117.54 1beg h ILE 18 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 64.86 64.50 1beg h ILE 18 Cb 0.36 0.08 0.00 0.00 -0.00 0.00 0.00 36.82 37.27 1beg h ILE 18 CO 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 178.15 178.34 1beg n LEU 19 N -4.42 0.00 -3.08 2.19 -0.00 -1.15 -4.49 117.00 106.05 1beg n LEU 19 Ca 0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.89 1beg n LEU 19 Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.41 1beg n LEU 19 CO 0.36 0.00 -0.11 -0.24 -0.00 0.00 0.00 177.39 177.40 1beg n SER 20 N 0.00 -0.65 -3.57 1.45 2.88 -1.26 -4.78 113.62 107.69 1beg n SER 20 Ca 0.00 -0.62 -0.06 0.00 -1.33 0.00 0.00 58.87 56.86 1beg n SER 20 Cb 0.00 -0.79 -0.02 0.00 -0.75 0.00 0.00 64.21 62.65 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 -2.40 -0.28 0.13 -3.46 2.15 -1.26 -5.05 116.67 106.50 1beg s ASP 21 Ca 0.34 -0.08 0.20 0.00 0.43 0.00 0.00 52.55 53.44 1beg s ASP 21 Cb -0.20 0.35 0.84 0.00 -0.30 0.00 0.00 42.92 43.61 1beg s ASP 21 CO 0.51 -0.59 1.63 0.00 -0.17 0.00 0.00 175.17 176.55 1beg n ALA 22 N -0.28 1.76 0.05 3.66 0.00 -1.26 -3.81 120.51 120.64 1beg n ALA 22 Ca -0.07 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1beg n ALA 22 Cb 0.61 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 1beg n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1beg h SER 23 N 0.00 -0.18 -0.74 0.00 0.87 -1.92 -2.72 113.55 108.87 1beg h SER 23 Ca 0.00 -0.35 0.08 0.00 -1.23 0.00 0.00 61.79 60.29 1beg h SER 23 Cb 0.36 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 1beg h SER 23 CO 0.00 0.39 0.41 0.15 -0.53 0.00 0.00 176.83 177.26 1beg h PHE 24 N -0.90 0.75 -0.60 2.24 3.57 -1.79 -0.85 116.94 119.37 1beg h PHE 24 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1beg h PHE 24 Cb 0.51 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1beg h PHE 24 CO 0.09 0.33 0.39 -0.97 -2.23 0.00 0.00 178.31 175.92 1beg h ASN 25 N 0.73 0.69 0.29 0.41 -1.24 -1.66 -2.22 115.58 112.58 1beg h ASN 25 Ca 0.34 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 1beg h ASN 25 Cb 0.27 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1beg h ASN 25 CO -0.22 0.51 -0.14 1.56 -1.29 0.00 0.00 177.43 177.85 1beg h GLN 26 N 0.81 -0.37 0.11 6.67 1.08 -0.82 -0.05 115.11 122.53 1beg h GLN 26 Ca 0.22 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.46 1beg h GLN 26 Cb -0.08 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 1beg h GLN 26 CO -0.05 -0.13 -0.31 0.00 -0.95 0.00 0.00 178.83 177.40 1beg h SER 28 N -0.52 0.63 -0.11 0.00 4.64 -1.39 -1.58 113.55 115.21 1beg h SER 28 Ca 0.03 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1beg h SER 28 Cb 0.56 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1beg h SER 28 CO -0.19 0.33 -0.05 0.74 -0.87 0.00 0.00 176.83 176.79 1beg h THR 29 N 0.67 1.31 -0.22 2.95 2.02 0.39 -1.57 112.91 118.46 1beg h THR 29 Ca 0.42 -1.06 0.06 0.00 0.77 0.00 0.00 66.41 66.59 1beg h THR 29 Cb 0.66 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.80 1beg h THR 29 CO -0.18 0.30 -0.17 0.44 0.37 0.00 0.00 175.52 176.28 1beg h ASP 30 N -0.11 -0.56 0.00 4.18 3.32 0.33 -3.40 116.42 120.18 1beg h ASP 30 Ca 0.03 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1beg h ASP 30 Cb 0.50 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1beg h ASP 30 CO 0.02 -0.21 -0.85 -0.24 -1.72 0.00 0.00 179.24 176.23 1beg n SER 31 N -5.33 0.15 0.00 6.45 2.88 -1.02 -5.11 113.62 111.65 1beg n SER 31 Ca -0.01 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1beg n SER 31 Cb 0.24 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 3.05 0.69 0.18 0.46 0.00 -0.59 -5.06 105.19 103.92 1beg n GLY 32 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.00 -2.03 1.61 9.36 -1.26 -5.08 117.16 119.76 1beg n TYR 33 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1beg n TYR 33 Cb 0.00 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.32 1beg n TYR 33 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1beg n SER 34 N -4.11 -4.48 -0.31 2.98 2.88 -1.26 -4.51 113.62 104.81 1beg n SER 34 Ca -0.11 0.42 0.31 0.00 -1.33 0.00 0.00 58.87 58.16 1beg n SER 34 Cb 0.40 -2.81 0.68 0.00 -0.75 0.00 0.00 64.21 61.73 1beg n SER 34 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1beg h MET 35 N 1.05 0.11 0.06 -1.46 4.05 -1.97 -1.77 114.93 115.00 1beg h MET 35 Ca 0.00 -0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 1beg h MET 35 Cb 0.20 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1beg h MET 35 CO 0.06 0.07 -1.24 1.37 0.23 0.00 0.00 176.91 177.40 1beg h LEU 36 N 0.12 0.20 -3.99 3.39 8.10 -1.98 -3.36 115.31 117.80 1beg h LEU 36 Ca 0.56 -0.24 -0.59 0.00 0.11 0.00 0.00 57.88 57.72 1beg h LEU 36 Cb 1.99 -0.06 -0.39 0.00 -0.44 0.00 0.00 40.66 41.75 1beg h LEU 36 CO -0.10 1.19 -0.38 0.35 -4.11 0.00 0.00 178.44 175.39 1beg n THR 37 N -3.39 2.77 -3.85 0.15 -2.24 -0.74 -4.79 114.28 102.20 1beg n THR 37 Ca -0.07 -4.09 -0.12 0.00 -2.27 0.00 0.00 64.05 57.50 1beg n THR 37 Cb 1.00 -1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1beg s ALA 38 N -3.66 -0.40 0.12 6.98 0.00 -0.79 -4.79 121.76 119.22 1beg s ALA 38 Ca 0.53 0.03 -0.33 0.00 0.00 0.00 0.00 51.96 52.19 1beg s ALA 38 Cb 0.43 0.04 -0.12 0.00 0.00 0.00 0.00 23.12 23.46 1beg s ALA 38 CO -0.03 -0.19 1.55 -0.22 0.00 0.00 0.00 175.76 176.86 1beg h LYS 39 N 4.49 -0.48 0.00 0.00 3.11 -1.89 -3.45 116.57 118.36 1beg h LYS 39 Ca -0.30 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.58 1beg h LYS 39 Cb 1.19 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 1beg h LYS 39 CO 0.40 -0.32 0.00 0.00 -2.81 0.00 0.00 179.45 176.72 1beg n ALA 40 N -3.04 0.00 0.00 5.00 0.00 -1.26 -4.70 120.51 116.51 1beg n ALA 40 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1beg n ALA 40 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1beg n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1beg n LEU 41 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.94 117.00 115.57 1beg n LEU 41 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1beg n LEU 41 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1beg n LEU 41 CO 0.00 0.00 0.21 -0.81 -1.33 0.00 0.00 177.39 175.46 1beg n PRO 42 N 0.00 -2.10 -1.51 3.23 -0.04 -1.26 -5.06 135.00 128.26 1beg n PRO 42 Ca 0.00 -0.65 -0.30 0.00 -0.04 0.00 0.00 63.50 62.51 1beg n PRO 42 Cb 0.00 -0.65 0.08 0.00 -0.04 0.00 0.00 33.50 32.89 1beg n PRO 42 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1beg s THR 43 N -1.70 3.32 0.34 0.52 -4.23 -1.26 -4.76 115.64 107.87 1beg s THR 43 Ca 0.27 0.43 0.11 0.00 -1.18 0.00 0.00 61.69 61.32 1beg s THR 43 Cb -0.03 -3.14 0.33 0.00 1.34 0.00 0.00 72.50 71.00 1beg s THR 43 CO 0.21 -0.56 1.74 0.00 -0.54 0.00 0.00 174.62 175.47 1beg h THR 44 N -1.02 0.53 0.47 3.99 1.03 -1.98 0.51 112.91 116.43 1beg h THR 44 Ca -0.46 -0.19 -0.02 0.00 -0.01 0.00 0.00 66.41 65.73 1beg h THR 44 Cb 1.25 -0.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1beg h THR 44 CO 0.58 0.10 -0.22 0.00 -0.01 0.00 0.00 175.52 175.96 1beg h ALA 45 N 1.71 -0.95 -0.77 0.00 0.00 -2.00 -2.12 119.26 115.13 1beg h ALA 45 Ca 0.64 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.58 1beg h ALA 45 Cb 1.29 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 1beg h ALA 45 CO -0.44 -0.91 0.20 1.96 0.00 0.00 0.00 179.25 180.06 1beg h GLN 46 N -0.75 0.27 -0.73 0.00 1.08 -1.83 0.31 115.11 113.45 1beg h GLN 46 Ca -0.06 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.23 1beg h GLN 46 Cb 0.48 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.77 1beg h GLN 46 CO 0.10 0.18 0.34 1.88 -0.95 0.00 0.00 178.83 180.39 1beg h TYR 47 N 0.28 0.60 0.79 2.96 -1.99 -0.88 -0.41 116.97 118.33 1beg h TYR 47 Ca 0.44 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 61.16 1beg h TYR 47 Cb 0.77 -0.16 0.01 0.00 2.00 0.00 0.00 36.73 39.35 1beg h TYR 47 CO -0.25 0.17 -0.38 -0.22 -0.00 0.00 0.00 178.16 177.48 1beg h LYS 48 N 0.55 -1.03 -0.56 4.88 1.63 -0.23 -0.23 116.57 121.58 1beg h LYS 48 Ca 0.38 0.07 0.08 0.00 -0.85 0.00 0.00 60.65 60.33 1beg h LYS 48 Cb 0.47 0.23 -0.07 0.00 -0.60 0.00 0.00 32.23 32.27 1beg h LYS 48 CO -0.32 -0.68 0.21 -0.07 -3.45 0.00 0.00 179.45 175.13 1beg h LEU 49 N -1.18 0.21 -0.43 5.20 -0.00 -1.35 -2.18 115.31 115.58 1beg h LEU 49 Ca -0.11 0.07 0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1beg h LEU 49 Cb 0.82 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.49 1beg h LEU 49 CO 0.18 0.14 0.19 0.24 -0.00 0.00 0.00 178.44 179.19 1beg h MET 50 N 0.39 0.38 0.00 1.13 2.86 -1.05 -1.80 114.93 116.84 1beg h MET 50 Ca 0.28 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1beg h MET 50 Cb 0.32 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1beg h MET 50 CO -0.28 0.25 -0.00 0.00 1.06 0.00 0.00 176.91 177.94 1beg n ALA 52 N -2.21 2.31 -2.87 0.00 0.00 -0.70 -4.94 120.51 112.10 1beg n ALA 52 Ca -0.03 -1.19 -0.37 0.00 0.00 0.00 0.00 53.44 51.85 1beg n ALA 52 Cb 0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 19.45 18.68 1beg n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1beg s SER 53 N -1.05 5.50 0.14 0.00 0.15 -0.78 -5.02 113.70 112.64 1beg s SER 53 Ca 0.38 -0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.56 1beg s SER 53 Cb 0.20 -2.00 -0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1beg s SER 53 CO 0.26 -0.08 1.61 0.74 1.20 0.00 0.00 173.24 176.98 1beg h THR 54 N 5.52 0.28 0.06 6.45 2.02 -1.92 -1.01 112.91 124.30 1beg h THR 54 Ca -0.36 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1beg h THR 54 Cb 1.17 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1beg h THR 54 CO 0.58 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 176.15 1beg h ALA 55 N 0.51 -0.49 -0.39 6.16 0.00 -1.95 -0.92 119.26 122.18 1beg h ALA 55 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1beg h ALA 55 Cb 0.54 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1beg h ALA 55 CO -0.39 -0.84 0.25 0.00 0.00 0.00 0.00 179.25 178.26 1beg h ASN 57 N 0.51 0.77 0.29 0.00 4.21 -0.97 -1.92 115.58 118.47 1beg h ASN 57 Ca 0.14 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1beg h ASN 57 Cb -0.05 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 36.98 1beg h ASN 57 CO -0.04 0.52 -0.14 0.74 -1.29 0.00 0.00 177.43 177.22 1beg h THR 58 N 0.89 0.75 -0.23 2.81 2.02 -0.71 -2.07 112.91 116.36 1beg h THR 58 Ca 0.30 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1beg h THR 58 Cb 0.09 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 1beg h THR 58 CO -0.09 0.08 -0.44 0.24 0.37 0.00 0.00 175.52 175.68 1beg h MET 59 N -0.60 -0.37 0.68 6.66 2.86 -0.90 -1.10 114.93 122.17 1beg h MET 59 Ca -0.04 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1beg h MET 59 Cb 0.43 0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1beg h MET 59 CO 0.07 -0.25 -0.32 0.82 1.06 0.00 0.00 176.91 178.28 1beg h ILE 60 N -0.38 0.00 -0.92 -1.22 2.04 -1.47 -2.56 117.51 113.00 1beg h ILE 60 Ca 0.04 -0.12 0.24 0.00 1.00 0.00 0.00 64.86 66.02 1beg h ILE 60 Cb 0.50 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.45 1beg h ILE 60 CO -0.42 0.00 0.40 0.50 0.00 0.00 0.00 178.15 178.63 1beg h LYS 61 N -1.03 0.34 0.18 2.37 3.64 -1.41 0.29 116.57 120.96 1beg h LYS 61 Ca -0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1beg h LYS 61 Cb 0.70 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1beg h LYS 61 CO 0.15 0.23 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.25 1beg h LYS 62 N 0.35 -0.24 -0.73 1.90 3.64 -1.21 -1.00 116.57 119.29 1beg h LYS 62 Ca 0.59 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 60.01 1beg h LYS 62 Cb 1.19 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1beg h LYS 62 CO -0.57 -0.10 0.48 0.82 -2.27 0.00 0.00 179.45 177.82 1beg h ILE 63 N -0.32 1.14 0.19 2.00 1.08 -0.65 -2.44 117.51 118.51 1beg h ILE 63 Ca -0.03 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1beg h ILE 63 Cb 0.25 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 1beg h ILE 63 CO 0.04 0.17 -0.09 0.58 -0.69 0.00 0.00 178.15 178.16 1beg h VAL 64 N 0.92 0.91 -0.89 1.67 2.07 -0.65 -2.98 116.25 117.31 1beg h VAL 64 Ca 0.28 -0.62 0.13 0.00 0.82 0.00 0.00 66.70 67.31 1beg h VAL 64 Cb -0.01 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 1beg h VAL 64 CO -0.07 0.14 0.51 0.71 0.02 0.00 0.00 177.57 178.87 1beg h THR 65 N -0.57 0.83 -0.43 2.57 1.35 -0.96 -1.81 112.91 113.88 1beg h THR 65 Ca -0.03 -0.26 0.03 0.00 -0.55 0.00 0.00 66.41 65.60 1beg h THR 65 Cb 0.42 -0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 66.79 1beg h THR 65 CO 0.04 0.14 0.22 -0.07 -0.25 0.00 0.00 175.52 175.61 1beg h LEU 66 N 0.77 0.33 -2.39 3.87 3.38 -1.39 -3.48 115.31 116.39 1beg h LEU 66 Ca 0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1beg h LEU 66 Cb 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1beg h LEU 66 CO -0.31 0.23 -0.35 -3.20 0.09 0.00 0.00 178.44 174.91 1beg n ASN 67 N -4.90 -7.15 -4.84 -0.43 2.85 -0.68 -5.04 115.26 95.07 1beg n ASN 67 Ca 0.02 0.36 -0.29 0.00 -0.11 0.00 0.00 54.58 54.57 1beg n ASN 67 Cb 0.10 -4.81 0.11 0.00 1.24 0.00 0.00 39.78 36.43 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 -2.52 1.55 0.14 1.20 0.04 -1.26 -5.03 135.00 129.12 1beg s PRO 68 Ca 0.17 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.12 1beg s PRO 68 Cb -0.05 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1beg s PRO 68 CO 0.66 -1.90 1.11 -1.25 0.04 0.00 0.00 177.00 175.66 1beg s PRO 69 N -5.42 4.57 0.02 0.56 0.04 -1.26 -4.87 135.00 128.65 1beg s PRO 69 Ca 0.63 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 1beg s PRO 69 Cb -0.13 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 1beg s PRO 69 CO 0.51 0.01 1.80 0.54 0.04 0.00 0.00 177.00 179.91 1beg s ASN 70 N 0.17 6.54 0.03 6.66 2.20 -1.26 -4.77 114.94 124.51 1beg s ASN 70 Ca 0.51 2.51 -0.03 0.00 -0.94 0.00 0.00 52.86 54.92 1beg s ASN 70 Cb -0.29 -2.54 0.01 0.00 -2.00 0.00 0.00 41.25 36.43 1beg s ASN 70 CO 0.33 -0.98 0.13 0.00 -2.94 0.00 0.00 177.10 173.65 1beg s ASP 72 N -1.32 1.67 -0.28 0.00 1.01 -1.26 -4.29 116.67 112.22 1beg s ASP 72 Ca 0.03 -0.13 -0.04 0.00 0.71 0.00 0.00 52.55 53.12 1beg s ASP 72 Cb -0.00 -0.52 0.02 0.00 1.01 0.00 0.00 42.92 43.43 1beg s ASP 72 CO 0.01 -0.17 0.01 -0.22 0.21 0.00 0.00 175.17 175.01 1beg s LEU 73 N 1.87 3.57 0.14 1.23 2.96 -0.92 -2.90 118.68 124.63 1beg s LEU 73 Ca 0.04 -0.85 -0.31 0.00 -0.22 0.00 0.00 54.13 52.79 1beg s LEU 73 Cb -0.12 -1.77 -0.10 0.00 0.50 0.00 0.00 46.19 44.70 1beg s LEU 73 CO -0.06 -0.17 1.75 0.42 -1.32 0.00 0.00 176.35 176.97 1beg s THR 74 N 1.39 2.52 -0.40 3.68 -4.23 -1.26 -2.17 115.64 115.17 1beg s THR 74 Ca 0.01 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1beg s THR 74 Cb -0.17 -3.10 0.11 0.00 1.34 0.00 0.00 72.50 70.67 1beg s THR 74 CO -0.01 0.00 0.18 -0.69 -0.54 0.00 0.00 174.62 173.56 1beg s VAL 75 N 2.23 3.15 0.27 2.29 1.01 -0.49 -4.96 120.40 123.90 1beg s VAL 75 Ca 0.77 -2.07 0.10 0.00 0.00 0.00 0.00 61.98 60.78 1beg s VAL 75 Cb -0.45 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1beg s VAL 75 CO 0.34 -0.66 1.60 1.55 0.00 0.00 0.00 175.10 177.93 1beg h PRO 76 N 7.99 0.01 0.00 2.72 0.13 -1.95 -1.82 132.00 139.09 1beg h PRO 76 Ca -0.12 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1beg h PRO 76 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1beg h PRO 76 CO 0.67 0.64 -0.01 0.00 -0.23 0.00 0.00 178.00 179.07 1beg h THR 77 N 0.01 0.04 0.00 1.56 1.03 -1.93 -3.27 112.91 110.35 1beg h THR 77 Ca -0.01 -0.23 -0.07 0.00 -0.01 0.00 0.00 66.41 66.09 1beg h THR 77 Cb 1.11 1.22 -0.01 0.00 -1.07 0.00 0.00 68.15 69.40 1beg h THR 77 CO 0.08 0.01 -1.25 -1.54 -0.01 0.00 0.00 175.52 172.81 1beg n SER 78 N -3.13 3.91 -0.40 0.00 3.41 -1.21 -4.81 113.62 111.38 1beg n SER 78 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1beg n SER 78 Cb 0.17 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 3.01 0.51 3.44 5.00 0.00 -0.70 -4.62 105.19 111.83 1beg n GLY 79 Ca -0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.80 -0.14 -0.31 0.99 2.96 -1.12 -4.99 118.68 115.27 1beg s LEU 80 Ca 0.00 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1beg s LEU 80 Cb 0.00 2.30 0.02 0.00 0.50 0.00 0.00 46.19 49.01 1beg s LEU 80 CO 0.00 -0.98 0.08 -0.69 -1.32 0.00 0.00 176.35 173.44 1beg s VAL 81 N -3.80 3.82 -0.08 1.68 1.01 -1.26 -1.39 120.40 120.38 1beg s VAL 81 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1beg s VAL 81 Cb -0.01 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1beg s VAL 81 CO -0.09 -0.00 0.21 -0.22 0.00 0.00 0.00 175.10 174.99 1beg s LEU 82 N 1.45 0.99 0.00 3.92 2.96 -0.92 -4.86 118.68 122.22 1beg s LEU 82 Ca 0.01 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1beg s LEU 82 Cb -0.18 0.68 0.00 0.00 0.50 0.00 0.00 46.19 47.19 1beg s LEU 82 CO 0.02 -0.10 0.00 -3.20 -1.32 0.00 0.00 176.35 171.75 1beg n ASN 83 N 3.36 0.00 0.00 3.68 5.15 -1.26 -2.17 115.26 124.02 1beg n ASN 83 Ca -0.17 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1beg n ASN 83 Cb 0.57 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 1beg n ASN 83 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1beg n VAL 84 N -2.22 0.00 0.27 3.44 0.31 -1.26 -4.71 118.33 114.17 1beg n VAL 84 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1beg n VAL 84 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1beg n VAL 84 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1beg h TYR 85 N 0.00 -1.43 0.00 3.52 3.20 -1.89 -1.88 116.97 118.50 1beg h TYR 85 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1beg h TYR 85 Cb 0.00 0.56 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 1beg h TYR 85 CO 0.00 -0.66 -0.02 1.03 -1.64 0.00 0.00 178.16 176.87 1beg h SER 86 N -0.97 0.00 0.69 -2.11 0.87 -1.95 -2.91 113.55 107.16 1beg h SER 86 Ca -0.06 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1beg h SER 86 Cb 0.86 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1beg h SER 86 CO -0.09 0.02 -0.33 0.22 -0.53 0.00 0.00 176.83 176.11 1beg h TYR 87 N 0.00 -0.86 -0.35 2.24 3.20 -1.76 0.14 116.97 119.59 1beg h TYR 87 Ca -0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1beg h TYR 87 Cb 0.04 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 1beg h TYR 87 CO 0.00 -0.51 -0.05 0.00 -1.64 0.00 0.00 178.16 175.96 1beg h ALA 88 N -0.73 0.27 -0.17 1.82 0.00 -1.25 -0.39 119.26 118.81 1beg h ALA 88 Ca -0.09 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1beg h ALA 88 Cb 0.73 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1beg h ALA 88 CO 0.16 -0.43 -0.73 -0.91 0.00 0.00 0.00 179.25 177.34 1beg h ASN 89 N 0.04 0.88 -0.33 0.00 2.35 -1.56 -3.25 115.58 113.72 1beg h ASN 89 Ca 0.17 -0.56 -0.17 0.00 -0.55 0.00 0.00 56.30 55.19 1beg h ASN 89 Cb 0.25 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1beg h ASN 89 CO -0.33 1.35 -0.45 1.23 -1.65 0.00 0.00 177.43 177.58 1beg h GLY 90 N 0.69 0.99 0.18 2.83 0.00 -0.75 -3.16 103.07 103.85 1beg h GLY 90 Ca -0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.22 1beg h GLY 90 CO 0.15 0.95 -0.09 -2.75 0.00 0.00 0.00 176.54 174.81 1beg h PHE 91 N 0.72 -0.22 -0.60 5.60 3.04 -1.17 -2.55 116.94 121.75 1beg h PHE 91 Ca 0.04 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.11 1beg h PHE 91 Cb 1.05 0.07 -0.12 0.00 2.56 0.00 0.00 35.95 39.51 1beg h PHE 91 CO 0.07 -0.14 -0.22 1.03 -2.02 0.00 0.00 178.31 177.03 1beg h SER 92 N -0.32 -0.78 -0.39 0.41 0.87 -1.73 0.13 113.55 111.74 1beg h SER 92 Ca -0.02 0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1beg h SER 92 Cb 0.19 0.45 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1beg h SER 92 CO 0.04 -0.25 0.16 -1.13 -0.53 0.00 0.00 176.83 175.12 1beg h ASN 93 N -0.07 0.21 0.01 6.23 -0.73 -1.67 -1.27 115.58 118.29 1beg h ASN 93 Ca 0.28 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.40 1beg h ASN 93 Cb 0.50 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1beg h ASN 93 CO -0.65 0.16 -0.23 0.50 -0.37 0.00 0.00 177.43 176.84 1beg h LYS 94 N 0.34 0.37 -0.18 6.67 1.63 -0.79 -2.22 116.57 122.39 1beg h LYS 94 Ca 0.17 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1beg h LYS 94 Cb 0.12 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1beg h LYS 94 CO -0.15 0.58 -0.01 0.00 -3.45 0.00 0.00 179.45 176.42 1beg h SER 96 N 0.06 0.97 0.53 0.00 4.64 -1.10 -2.63 113.55 116.01 1beg h SER 96 Ca 0.05 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.14 1beg h SER 96 Cb 0.41 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1beg h SER 96 CO 0.01 0.81 -0.54 -1.28 -0.87 0.00 0.00 176.83 174.96 1beg h SER 97 N 1.05 0.02 0.00 4.97 0.87 -1.24 -3.52 113.55 115.70 1beg h SER 97 Ca 0.26 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1beg h SER 97 Cb 0.08 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1beg h SER 97 CO -0.04 0.55 0.00 -0.11 -0.53 0.00 0.00 176.83 176.71