#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 -1.13 -2.36 1.79 0.00 -1.26 -4.87 120.51 112.69 1beg n ALA 2 Ca 0.00 0.14 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1beg n ALA 2 Cb 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.75 0.53 0.00 0.00 2.01 -1.26 -4.60 115.64 111.58 1beg s THR 4 Ca 0.30 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1beg s THR 4 Cb -0.19 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.78 1beg s THR 4 CO 0.18 0.21 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 1beg n ALA 5 N 3.89 0.00 0.15 7.40 0.00 -1.26 -2.04 120.51 128.66 1beg n ALA 5 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1beg n ALA 5 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 0.53 -0.76 0.00 2.02 -1.98 0.81 112.91 113.53 1beg h THR 6 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1beg h THR 6 Cb 0.00 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1beg h THR 6 CO 0.00 0.00 0.38 1.56 0.37 0.00 0.00 175.52 177.83 1beg h GLN 7 N -0.47 1.08 -0.31 6.66 4.20 -1.79 -1.93 115.11 122.56 1beg h GLN 7 Ca -0.00 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.45 1beg h GLN 7 Cb 0.44 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1beg h GLN 7 CO -0.05 0.82 -0.30 0.37 -0.67 0.00 0.00 178.83 179.00 1beg h GLN 8 N 1.07 0.64 -0.11 1.46 4.15 -1.57 -1.18 115.11 119.56 1beg h GLN 8 Ca 0.26 -0.28 -0.19 0.00 0.77 0.00 0.00 58.65 59.21 1beg h GLN 8 Cb 0.09 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 1beg h GLN 8 CO -0.04 0.86 -0.73 1.79 -1.93 0.00 0.00 178.83 178.79 1beg h THR 9 N 0.55 1.34 -0.06 2.39 1.35 -0.57 0.55 112.91 118.45 1beg h THR 9 Ca 0.07 -2.05 -0.02 0.00 -0.55 0.00 0.00 66.41 63.86 1beg h THR 9 Cb 0.79 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1beg h THR 9 CO 0.06 0.63 -0.03 0.00 -0.25 0.00 0.00 175.52 175.94 1beg h ALA 10 N 0.82 0.08 -0.57 6.62 0.00 -1.27 0.12 119.26 125.06 1beg h ALA 10 Ca -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1beg h ALA 10 Cb 1.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1beg h ALA 10 CO 0.13 -0.17 0.37 0.00 0.00 0.00 0.00 179.25 179.58 1beg h ALA 11 N 0.62 0.73 -1.82 0.00 0.00 -1.21 -2.86 119.26 114.71 1beg h ALA 11 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1beg h ALA 11 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1beg h ALA 11 CO 0.01 0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.05 1beg n TYR 12 N -4.71 0.00 -0.10 0.00 4.01 0.18 -2.32 117.16 114.22 1beg n TYR 12 Ca 0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.79 1beg n TYR 12 Cb 0.04 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 38.90 1beg n TYR 12 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1beg n LYS 13 N -1.09 -0.04 0.16 -0.72 4.81 0.40 0.10 118.16 121.78 1beg n LYS 13 Ca 0.00 0.44 -0.10 0.00 -0.87 0.00 0.00 58.31 57.78 1beg n LYS 13 Cb 0.00 -0.65 -0.05 0.00 0.02 0.00 0.00 35.03 34.35 1beg n LYS 13 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1beg h THR 14 N 0.00 0.25 0.00 3.15 2.02 -1.62 -1.74 112.91 114.98 1beg h THR 14 Ca 0.12 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1beg h THR 14 Cb 0.19 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1beg h THR 14 CO -0.28 0.06 0.00 0.25 0.37 0.00 0.00 175.52 175.92 1beg h LEU 15 N -1.06 0.00 0.04 2.58 5.85 -0.44 -2.54 115.31 119.74 1beg h LEU 15 Ca -0.05 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.43 1beg h LEU 15 Cb 0.47 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1beg h LEU 15 CO 0.08 0.00 -1.32 0.58 -0.34 0.00 0.00 178.44 177.44 1beg h VAL 16 N 0.00 0.95 -0.85 1.05 2.07 -0.41 -3.35 116.25 115.71 1beg h VAL 16 Ca 0.00 -2.26 0.12 0.00 0.82 0.00 0.00 66.70 65.39 1beg h VAL 16 Cb 0.09 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1beg h VAL 16 CO 0.00 0.50 0.55 0.77 0.02 0.00 0.00 177.57 179.41 1beg h SER 17 N -0.70 0.66 -0.73 0.57 4.64 -0.92 -1.23 113.55 115.85 1beg h SER 17 Ca -0.33 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1beg h SER 17 Cb 1.48 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.42 1beg h SER 17 CO -0.10 0.36 0.43 -0.29 -0.87 0.00 0.00 176.83 176.36 1beg h ILE 18 N 0.71 1.01 -0.44 0.95 -0.00 -1.59 -1.04 117.51 117.12 1beg h ILE 18 Ca 0.41 -0.27 -0.02 0.00 -0.00 0.00 0.00 64.86 64.98 1beg h ILE 18 Cb 0.60 0.15 -0.02 0.00 -0.00 0.00 0.00 36.82 37.55 1beg h ILE 18 CO -0.18 0.15 0.18 -0.07 -0.00 0.00 0.00 178.15 178.23 1beg h LEU 19 N 0.79 0.60 -0.24 2.19 3.38 -1.35 -2.80 115.31 117.88 1beg h LEU 19 Ca 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1beg h LEU 19 Cb 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1beg h LEU 19 CO -0.17 0.59 0.00 -1.20 0.09 0.00 0.00 178.44 177.76 1beg n SER 20 N -4.62 0.76 -4.83 -0.43 7.64 -1.05 -4.86 113.62 106.23 1beg n SER 20 Ca 0.01 0.61 -0.32 0.00 1.01 0.00 0.00 58.87 60.17 1beg n SER 20 Cb 0.14 -0.80 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 1beg n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1beg s ASP 21 N -4.42 6.78 0.44 6.43 2.15 -0.42 -5.01 116.67 122.63 1beg s ASP 21 Ca 0.08 1.59 0.19 0.00 0.43 0.00 0.00 52.55 54.85 1beg s ASP 21 Cb 0.11 -2.51 1.05 0.00 -0.30 0.00 0.00 42.92 41.27 1beg s ASP 21 CO 0.53 -0.45 1.95 0.00 -0.17 0.00 0.00 175.17 177.03 1beg h ALA 22 N 1.50 1.39 0.12 3.66 0.00 -1.89 -3.29 119.26 120.75 1beg h ALA 22 Ca -0.48 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.24 1beg h ALA 22 Cb 1.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1beg h ALA 22 CO 0.62 0.29 -0.25 1.03 0.00 0.00 0.00 179.25 180.94 1beg h SER 23 N 0.00 -0.71 -0.86 0.00 0.87 -1.90 -2.58 113.55 108.37 1beg h SER 23 Ca -0.00 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1beg h SER 23 Cb 0.48 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 1beg h SER 23 CO 0.03 -0.34 0.57 0.15 -0.53 0.00 0.00 176.83 176.71 1beg h PHE 24 N -0.46 1.08 -0.77 2.24 3.57 -1.73 -1.53 116.94 119.33 1beg h PHE 24 Ca 0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1beg h PHE 24 Cb 0.48 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1beg h PHE 24 CO -0.23 0.66 0.47 -0.97 -2.23 0.00 0.00 178.31 176.02 1beg h ASN 25 N 1.15 0.92 0.17 0.41 -1.24 -1.62 -0.78 115.58 114.59 1beg h ASN 25 Ca 0.32 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1beg h ASN 25 Cb -0.10 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.72 1beg h ASN 25 CO -0.08 0.71 -0.08 1.56 -1.29 0.00 0.00 177.43 178.25 1beg h GLN 26 N 1.05 -0.22 -0.50 6.67 1.08 -1.06 -1.55 115.11 120.59 1beg h GLN 26 Ca 0.28 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.58 1beg h GLN 26 Cb -0.05 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 1beg h GLN 26 CO -0.05 0.17 0.05 0.00 -0.95 0.00 0.00 178.83 178.05 1beg h SER 28 N 0.17 1.11 0.02 0.00 0.87 -1.19 -1.92 113.55 112.61 1beg h SER 28 Ca 0.25 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1beg h SER 28 Cb 0.36 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1beg h SER 28 CO -0.37 0.93 -0.01 0.74 -0.53 0.00 0.00 176.83 177.59 1beg h THR 29 N 1.20 1.14 -0.84 2.23 2.02 -0.08 0.21 112.91 118.80 1beg h THR 29 Ca 0.29 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1beg h THR 29 Cb 0.12 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1beg h THR 29 CO -0.04 0.13 0.53 0.44 0.37 0.00 0.00 175.52 176.95 1beg h ASP 30 N -0.23 0.98 0.00 4.18 3.32 -0.80 -3.40 116.42 120.46 1beg h ASP 30 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1beg h ASP 30 Cb 0.22 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1beg h ASP 30 CO 0.00 0.73 -0.91 -1.20 -1.72 0.00 0.00 179.24 176.14 1beg n SER 31 N -4.48 0.05 -0.03 6.45 7.64 -0.74 -5.05 113.62 117.47 1beg n SER 31 Ca 0.09 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1beg n SER 31 Cb 0.03 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1beg n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1beg n GLY 32 N 2.97 0.52 3.30 0.23 0.00 0.74 -5.03 105.19 107.91 1beg n GLY 32 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.11 2.92 -1.06 1.61 5.04 -1.26 -5.05 117.35 118.44 1beg s TYR 33 Ca 0.00 -0.97 -0.14 0.00 -2.44 0.00 0.00 57.07 53.52 1beg s TYR 33 Cb 0.00 -2.04 0.19 0.00 0.35 0.00 0.00 41.96 40.46 1beg s TYR 33 CO 0.00 -0.52 1.18 -1.54 -1.34 0.00 0.00 175.55 173.33 1beg s SER 34 N 1.26 6.97 0.08 4.32 1.04 -1.26 -4.76 113.70 121.35 1beg s SER 34 Ca 0.03 -2.85 -0.18 0.00 0.48 0.00 0.00 55.95 53.42 1beg s SER 34 Cb -0.14 -2.33 -0.10 0.00 0.10 0.00 0.00 66.02 63.56 1beg s SER 34 CO -0.03 -0.69 1.47 -0.03 0.98 0.00 0.00 173.24 174.94 1beg h MET 35 N 7.56 0.46 0.00 4.02 4.05 -1.98 -1.02 114.93 128.02 1beg h MET 35 Ca 0.21 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1beg h MET 35 Cb 0.94 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 1beg h MET 35 CO 1.08 0.69 -0.01 -0.07 0.23 0.00 0.00 176.91 178.83 1beg h LEU 36 N 0.19 0.00 -3.03 3.39 -0.00 -1.96 -3.33 115.31 110.57 1beg h LEU 36 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1beg h LEU 36 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1beg h LEU 36 CO 0.02 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 178.81 1beg n THR 37 N -3.09 1.56 -2.88 0.22 -2.24 -1.22 -4.88 114.28 101.75 1beg n THR 37 Ca 0.04 -1.65 -0.01 0.00 -2.27 0.00 0.00 64.05 60.17 1beg n THR 37 Cb 0.53 0.09 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.04 -3.39 -1.96 6.98 0.00 -0.39 -4.75 121.76 116.22 1beg s ALA 38 Ca 0.22 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1beg s ALA 38 Cb 0.18 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1beg s ALA 38 CO 0.04 -2.37 0.28 1.17 0.00 0.00 0.00 175.76 174.89 1beg n LYS 39 N 3.55 0.00 -2.56 0.00 3.00 -1.26 -4.45 118.16 116.45 1beg n LYS 39 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.00 1beg n LYS 39 Cb 0.60 -1.29 -0.03 0.00 0.00 0.00 0.00 35.03 34.32 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1beg s ALA 40 N -1.97 2.94 0.16 3.14 0.00 -1.26 -4.85 121.76 119.92 1beg s ALA 40 Ca 0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 51.96 50.71 1beg s ALA 40 Cb 0.00 -4.08 -0.15 0.00 0.00 0.00 0.00 23.12 18.89 1beg s ALA 40 CO 0.00 -2.80 1.41 1.28 0.00 0.00 0.00 175.76 175.65 1beg n LEU 41 N 8.70 2.46 -4.80 0.00 4.77 -1.26 -4.98 117.00 121.90 1beg n LEU 41 Ca 0.08 1.11 -0.32 0.00 -0.03 0.00 0.00 56.01 56.85 1beg n LEU 41 Cb 0.49 -1.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1beg n LEU 41 CO 0.71 -0.69 0.72 -2.16 -1.33 0.00 0.00 177.39 174.64 1beg s PRO 42 N 0.30 3.12 0.64 3.23 0.04 -1.26 -5.06 135.00 136.02 1beg s PRO 42 Ca 0.77 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 1beg s PRO 42 Cb -0.77 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1beg s PRO 42 CO 0.45 -0.97 1.14 0.99 0.04 0.00 0.00 177.00 178.66 1beg s THR 43 N -2.59 2.96 0.37 1.26 2.01 -1.26 -4.76 115.64 113.63 1beg s THR 43 Ca 0.63 0.50 0.25 0.00 0.31 0.00 0.00 61.69 63.38 1beg s THR 43 Cb -0.16 -3.07 0.40 0.00 0.01 0.00 0.00 72.50 69.68 1beg s THR 43 CO 0.42 -0.23 1.38 1.07 -0.69 0.00 0.00 174.62 176.57 1beg n THR 44 N -2.16 -0.27 0.00 -0.82 5.66 -1.26 -2.17 114.28 113.26 1beg n THR 44 Ca 0.12 1.65 0.00 0.00 -3.05 0.00 0.00 64.05 62.77 1beg n THR 44 Cb 0.51 -2.70 0.00 0.00 -1.55 0.00 0.00 70.33 66.59 1beg n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1beg n ALA 45 N -2.47 -0.38 -0.34 1.79 0.00 -1.26 -1.19 120.51 116.65 1beg n ALA 45 Ca 0.35 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.96 1beg n ALA 45 Cb 1.30 0.06 0.39 0.00 0.00 0.00 0.00 19.45 21.19 1beg n ALA 45 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1beg h GLN 46 N 0.00 0.57 0.25 0.00 4.20 -1.80 -1.38 115.11 116.96 1beg h GLN 46 Ca 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1beg h GLN 46 Cb 0.00 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1beg h GLN 46 CO 0.00 0.38 -0.41 1.88 -0.67 0.00 0.00 178.83 180.01 1beg h TYR 47 N 0.59 -1.12 0.64 2.96 -1.99 -1.30 -0.16 116.97 116.59 1beg h TYR 47 Ca 0.63 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 61.36 1beg h TYR 47 Cb 1.21 0.46 -0.01 0.00 2.00 0.00 0.00 36.73 40.39 1beg h TYR 47 CO -0.01 -0.53 -0.43 1.57 -0.00 0.00 0.00 178.16 178.77 1beg h LYS 48 N -0.73 -0.98 -0.92 4.88 2.10 -0.01 -1.26 116.57 119.65 1beg h LYS 48 Ca -0.00 0.07 0.12 0.00 -2.00 0.00 0.00 60.65 58.83 1beg h LYS 48 Cb 0.70 0.22 -0.08 0.00 -0.90 0.00 0.00 32.23 32.17 1beg h LYS 48 CO -0.16 -0.65 0.55 -0.07 -2.00 0.00 0.00 179.45 177.12 1beg h LEU 49 N -1.02 0.79 -0.13 7.07 -0.00 -1.48 -1.96 115.31 118.59 1beg h LEU 49 Ca -0.08 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1beg h LEU 49 Cb 0.83 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 1beg h LEU 49 CO 0.06 0.42 0.08 0.24 -0.00 0.00 0.00 178.44 179.24 1beg h MET 50 N 0.88 0.17 -0.56 1.13 2.86 -0.82 -2.49 114.93 116.10 1beg h MET 50 Ca 0.46 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1beg h MET 50 Cb 0.48 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1beg h MET 50 CO -0.27 0.13 0.36 0.00 1.06 0.00 0.00 176.91 178.19 1beg n ALA 52 N -2.45 6.15 -3.67 0.00 0.00 -0.91 -4.77 120.51 114.86 1beg n ALA 52 Ca 0.05 -2.44 -0.09 0.00 0.00 0.00 0.00 53.44 50.97 1beg n ALA 52 Cb 0.05 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.37 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 0.79 -0.34 0.46 0.00 0.15 -1.11 -4.98 113.70 108.67 1beg s SER 53 Ca 0.55 0.97 0.19 0.00 0.70 0.00 0.00 55.95 58.36 1beg s SER 53 Cb 0.33 1.18 1.17 0.00 -1.71 0.00 0.00 66.02 66.99 1beg s SER 53 CO -0.13 -0.22 1.94 0.00 1.20 0.00 0.00 173.24 176.03 1beg h THR 54 N 5.96 0.77 0.42 6.45 1.03 -1.88 -1.37 112.91 124.30 1beg h THR 54 Ca -0.22 -0.10 -0.02 0.00 -0.01 0.00 0.00 66.41 66.06 1beg h THR 54 Cb 1.13 0.46 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 1beg h THR 54 CO 0.17 0.05 -0.20 0.00 -0.01 0.00 0.00 175.52 175.53 1beg h ALA 55 N 1.67 -0.78 -0.83 0.00 0.00 -1.92 -1.01 119.26 116.38 1beg h ALA 55 Ca 0.34 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1beg h ALA 55 Cb 0.94 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1beg h ALA 55 CO -0.08 -0.74 0.44 0.00 0.00 0.00 0.00 179.25 178.87 1beg h ASN 57 N 0.69 -0.22 -0.54 0.00 -0.73 -1.31 -2.51 115.58 110.96 1beg h ASN 57 Ca 0.43 -0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.58 1beg h ASN 57 Cb 0.51 0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 1beg h ASN 57 CO -0.31 -0.11 0.36 0.74 -0.37 0.00 0.00 177.43 177.74 1beg h THR 58 N -0.31 1.11 0.71 -3.57 2.02 -0.26 0.75 112.91 113.36 1beg h THR 58 Ca -0.03 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1beg h THR 58 Cb 0.24 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1beg h THR 58 CO 0.04 0.13 -0.34 0.24 0.37 0.00 0.00 175.52 175.96 1beg h MET 59 N 0.69 -0.91 0.77 6.66 2.86 -0.76 -1.44 114.93 122.81 1beg h MET 59 Ca 0.20 0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1beg h MET 59 Cb -0.02 0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.85 1beg h MET 59 CO -0.05 -0.61 -0.37 0.82 1.06 0.00 0.00 176.91 177.76 1beg h ILE 60 N -0.97 0.00 -1.04 -1.22 2.04 -1.39 -2.70 117.51 112.22 1beg h ILE 60 Ca -0.10 -0.16 0.28 0.00 1.00 0.00 0.00 64.86 65.88 1beg h ILE 60 Cb 0.73 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.69 1beg h ILE 60 CO 0.16 0.00 0.64 0.50 0.00 0.00 0.00 178.15 179.45 1beg h LYS 61 N -1.20 0.43 -0.24 2.37 3.64 -0.97 0.32 116.57 120.93 1beg h LYS 61 Ca -0.11 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1beg h LYS 61 Cb 0.80 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1beg h LYS 61 CO 0.17 0.28 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.22 1beg h LYS 62 N 0.44 0.56 -0.48 1.90 3.64 -1.25 -2.11 116.57 119.27 1beg h LYS 62 Ca 0.65 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1beg h LYS 62 Cb 1.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 1beg h LYS 62 CO -0.41 0.86 0.20 0.82 -2.27 0.00 0.00 179.45 178.65 1beg h ILE 63 N 0.26 1.17 0.36 2.00 1.08 -0.65 -2.62 117.51 119.12 1beg h ILE 63 Ca 0.04 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1beg h ILE 63 Cb 0.75 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1beg h ILE 63 CO 0.05 0.21 -0.17 0.58 -0.69 0.00 0.00 178.15 178.13 1beg h VAL 64 N 0.67 0.64 -0.74 1.67 2.07 -0.97 -2.79 116.25 116.80 1beg h VAL 64 Ca 0.17 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.43 1beg h VAL 64 Cb 0.12 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1beg h VAL 64 CO -0.02 0.07 0.36 0.71 0.02 0.00 0.00 177.57 178.71 1beg h THR 65 N -0.70 0.79 0.00 2.57 1.35 -1.23 -1.42 112.91 114.27 1beg h THR 65 Ca -0.05 -0.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.56 1beg h THR 65 Cb 0.49 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1beg h THR 65 CO 0.08 0.11 -0.24 -0.07 -0.25 0.00 0.00 175.52 175.15 1beg h LEU 66 N 0.58 0.00 -3.24 3.87 3.38 -1.45 -3.49 115.31 114.96 1beg h LEU 66 Ca 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 1beg h LEU 66 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1beg h LEU 66 CO -0.31 0.24 -1.03 -0.46 0.09 0.00 0.00 178.44 176.97 1beg n ASN 67 N -3.81 -6.57 -4.46 -0.43 6.94 -0.54 -5.01 115.26 101.40 1beg n ASN 67 Ca -0.02 0.41 -0.29 0.00 -0.02 0.00 0.00 54.58 54.67 1beg n ASN 67 Cb 0.34 -2.11 0.19 0.00 -2.36 0.00 0.00 39.78 35.83 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1beg s PRO 68 N -1.39 0.12 0.70 -0.53 0.04 -1.26 -5.06 135.00 127.62 1beg s PRO 68 Ca 0.08 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1beg s PRO 68 Cb -0.01 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.82 1beg s PRO 68 CO 0.28 -2.88 1.08 -1.25 0.04 0.00 0.00 177.00 174.26 1beg s PRO 69 N -5.19 2.89 -0.66 0.56 0.04 -1.26 -4.86 135.00 126.53 1beg s PRO 69 Ca 0.67 0.63 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 1beg s PRO 69 Cb -0.15 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1beg s PRO 69 CO 0.56 -1.05 1.38 -0.80 0.04 0.00 0.00 177.00 177.13 1beg s ASN 70 N -4.16 6.07 -0.23 6.66 0.01 -1.26 -4.34 114.94 117.70 1beg s ASN 70 Ca 0.58 -0.10 -0.28 0.00 -0.71 0.00 0.00 52.86 52.35 1beg s ASN 70 Cb -0.12 -2.55 0.14 0.00 0.41 0.00 0.00 41.25 39.13 1beg s ASN 70 CO 0.53 -1.83 1.09 0.00 -1.51 0.00 0.00 177.10 175.38 1beg s ASP 72 N -0.51 7.30 -0.21 0.00 1.01 -1.26 -3.89 116.67 119.10 1beg s ASP 72 Ca 0.02 1.66 0.00 0.00 0.71 0.00 0.00 52.55 54.94 1beg s ASP 72 Cb -0.03 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1beg s ASP 72 CO -0.04 0.07 -0.05 -0.76 0.21 0.00 0.00 175.17 174.60 1beg s LEU 73 N -1.67 2.21 -0.12 1.23 1.43 -0.47 -1.56 118.68 119.72 1beg s LEU 73 Ca 0.43 -1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 1beg s LEU 73 Cb -0.20 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 1beg s LEU 73 CO 0.24 -0.22 0.77 0.42 0.23 0.00 0.00 176.35 177.79 1beg s THR 74 N 1.49 4.96 -0.27 5.49 -4.23 -1.26 -1.33 115.64 120.48 1beg s THR 74 Ca -0.04 1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 61.92 1beg s THR 74 Cb -0.18 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.53 1beg s THR 74 CO -0.07 0.13 0.13 -0.69 -0.54 0.00 0.00 174.62 173.58 1beg s VAL 75 N 1.56 4.84 0.17 2.29 1.01 -0.61 -4.99 120.40 124.66 1beg s VAL 75 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1beg s VAL 75 Cb -0.17 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 1beg s VAL 75 CO 0.15 0.29 1.41 1.55 0.00 0.00 0.00 175.10 178.50 1beg h PRO 76 N 8.31 0.31 0.00 2.72 0.13 -1.97 -1.59 132.00 139.91 1beg h PRO 76 Ca -0.37 -0.29 -0.06 0.00 -0.87 0.00 0.00 66.00 64.42 1beg h PRO 76 Cb 1.18 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1beg h PRO 76 CO 0.56 0.96 -0.28 0.00 -0.23 0.00 0.00 178.00 179.02 1beg h THR 77 N 0.19 1.20 0.00 1.56 1.03 -1.95 -3.30 112.91 111.64 1beg h THR 77 Ca -0.04 -0.95 -0.40 0.00 -0.01 0.00 0.00 66.41 65.01 1beg h THR 77 Cb 1.40 1.51 -0.06 0.00 -1.07 0.00 0.00 68.15 69.93 1beg h THR 77 CO 0.13 0.27 -2.38 -0.24 -0.01 0.00 0.00 175.52 173.29 1beg n SER 78 N -4.21 1.89 -0.11 0.00 2.88 -1.25 -4.84 113.62 107.98 1beg n SER 78 Ca -0.02 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1beg n SER 78 Cb 0.33 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1beg n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1beg n GLY 79 N 1.72 0.97 3.00 0.46 0.00 -0.61 -4.89 105.19 105.84 1beg n GLY 79 Ca -0.47 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.23 2.11 -0.12 0.99 2.96 -1.15 -5.02 118.68 118.22 1beg s LEU 80 Ca 0.00 -0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 53.36 1beg s LEU 80 Cb 0.00 0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.84 1beg s LEU 80 CO 0.00 -0.30 0.30 -0.69 -1.32 0.00 0.00 176.35 174.34 1beg s VAL 81 N -1.36 5.27 -0.08 1.68 1.01 -1.26 -1.58 120.40 124.08 1beg s VAL 81 Ca -0.15 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 1beg s VAL 81 Cb -0.09 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1beg s VAL 81 CO -0.01 0.46 -0.05 -0.22 0.00 0.00 0.00 175.10 175.29 1beg s LEU 82 N -0.05 1.04 -0.66 3.92 2.96 -0.44 -4.99 118.68 120.46 1beg s LEU 82 Ca 0.18 -0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.70 1beg s LEU 82 Cb -0.14 -0.62 0.10 0.00 0.50 0.00 0.00 46.19 46.03 1beg s LEU 82 CO 0.06 -0.12 0.85 0.21 -1.32 0.00 0.00 176.35 176.03 1beg s ASN 83 N 1.55 6.24 0.57 3.68 3.84 -1.26 -1.37 114.94 128.19 1beg s ASN 83 Ca 0.00 -1.38 0.29 0.00 0.21 0.00 0.00 52.86 51.99 1beg s ASN 83 Cb -0.13 -2.35 1.47 0.00 -0.55 0.00 0.00 41.25 39.69 1beg s ASN 83 CO -0.04 -1.22 1.91 0.58 -2.79 0.00 0.00 177.10 175.54 1beg h VAL 84 N 5.90 0.46 0.45 -5.21 2.07 -1.92 -1.86 116.25 116.13 1beg h VAL 84 Ca -0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1beg h VAL 84 Cb 1.07 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1beg h VAL 84 CO 1.12 0.00 -0.22 0.22 0.02 0.00 0.00 177.57 178.72 1beg h TYR 85 N 0.00 -0.56 -0.49 1.57 3.20 -1.78 -3.25 116.97 115.67 1beg h TYR 85 Ca 0.27 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1beg h TYR 85 Cb 1.28 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 1beg h TYR 85 CO 0.00 -0.24 0.08 0.66 -1.64 0.00 0.00 178.16 177.02 1beg h SER 86 N -0.90 0.72 -0.33 -2.11 4.64 -1.77 -3.31 113.55 110.48 1beg h SER 86 Ca -0.06 -0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1beg h SER 86 Cb 0.57 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 1beg h SER 86 CO 0.10 0.74 -0.47 0.22 -0.87 0.00 0.00 176.83 176.55 1beg h TYR 87 N 0.73 -1.44 0.14 4.77 3.20 -1.39 -0.45 116.97 122.52 1beg h TYR 87 Ca 0.16 0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1beg h TYR 87 Cb 0.34 0.67 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 1beg h TYR 87 CO 0.02 -0.42 -0.27 0.00 -1.64 0.00 0.00 178.16 175.85 1beg h ALA 88 N -0.26 -0.46 -0.61 1.82 0.00 -1.64 -1.73 119.26 116.37 1beg h ALA 88 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1beg h ALA 88 Cb 0.51 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1beg h ALA 88 CO -0.50 -0.81 0.03 -0.91 0.00 0.00 0.00 179.25 177.07 1beg h ASN 89 N -0.49 1.03 0.18 0.00 2.35 -1.65 -3.34 115.58 113.67 1beg h ASN 89 Ca 0.03 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1beg h ASN 89 Cb 0.50 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1beg h ASN 89 CO -0.14 1.07 -0.09 1.23 -1.65 0.00 0.00 177.43 177.85 1beg h GLY 90 N 0.96 -0.25 -0.93 2.83 0.00 -1.02 -3.38 103.07 101.28 1beg h GLY 90 Ca 0.18 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.73 1beg h GLY 90 CO 0.03 -0.09 -0.40 0.33 0.00 0.00 0.00 176.54 176.40 1beg n PHE 91 N -4.99 -0.05 -0.16 5.60 7.35 -0.66 -1.90 117.46 122.65 1beg n PHE 91 Ca -0.09 1.15 -0.02 0.00 -0.76 0.00 0.00 57.45 57.73 1beg n PHE 91 Cb 0.26 -0.80 0.06 0.00 0.35 0.00 0.00 39.48 39.34 1beg n PHE 91 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1beg h SER 92 N 0.00 -0.24 -0.50 -2.13 0.87 -1.73 0.54 113.55 110.37 1beg h SER 92 Ca 0.29 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.99 1beg h SER 92 Cb 0.53 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1beg h SER 92 CO -0.92 -0.08 0.32 0.78 -0.53 0.00 0.00 176.83 176.40 1beg h ASN 93 N 0.10 0.55 -0.68 6.23 2.35 -1.56 -1.41 115.58 121.15 1beg h ASN 93 Ca 0.25 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1beg h ASN 93 Cb 0.37 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1beg h ASN 93 CO -0.42 0.39 0.32 0.11 -1.65 0.00 0.00 177.43 176.18 1beg h LYS 94 N 0.65 1.02 -0.26 0.81 1.79 -1.01 -1.65 116.57 117.92 1beg h LYS 94 Ca 0.19 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1beg h LYS 94 Cb -0.05 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.41 1beg h LYS 94 CO -0.06 0.80 0.17 0.00 -1.08 0.00 0.00 179.45 179.29 1beg h SER 96 N 0.35 0.99 1.22 0.00 0.87 -0.89 -2.55 113.55 113.55 1beg h SER 96 Ca 0.10 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1beg h SER 96 Cb -0.04 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1beg h SER 96 CO -0.02 0.85 0.00 0.28 -0.53 0.00 0.00 176.83 177.41 1beg h SER 97 N 1.08 0.00 -0.02 6.23 0.02 -0.68 -3.52 113.55 116.67 1beg h SER 97 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1beg h SER 97 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1beg h SER 97 CO -0.03 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.55