#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 2.97 0.54 6.98 0.00 -0.66 -3.47 121.76 128.13 1beg s ALA 2 Ca 0.00 -1.36 -0.19 0.00 0.00 0.00 0.00 51.96 50.41 1beg s ALA 2 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 1beg s ALA 2 CO 0.00 -1.86 1.10 0.00 0.00 0.00 0.00 175.76 175.00 1beg s THR 4 N -1.94 1.31 0.00 0.00 -4.23 -1.26 -4.66 115.64 104.86 1beg s THR 4 Ca 0.70 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1beg s THR 4 Cb -0.21 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1beg s THR 4 CO 0.27 0.39 0.00 0.00 -0.54 0.00 0.00 174.62 174.74 1beg n ALA 5 N 3.58 0.00 -0.33 3.99 0.00 -1.26 -1.86 120.51 124.63 1beg n ALA 5 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.37 1beg n ALA 5 Cb 0.52 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.30 1beg n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1beg h THR 6 N 0.00 0.61 -0.43 0.00 1.03 -1.98 -1.55 112.91 110.59 1beg h THR 6 Ca 0.00 -0.21 -0.04 0.00 -0.01 0.00 0.00 66.41 66.15 1beg h THR 6 Cb 0.00 -0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 67.01 1beg h THR 6 CO 0.00 0.11 0.11 1.56 -0.01 0.00 0.00 175.52 177.30 1beg h GLN 7 N 0.61 0.69 0.28 0.00 4.20 -1.75 -1.30 115.11 117.84 1beg h GLN 7 Ca 0.58 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 1beg h GLN 7 Cb 1.00 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1beg h GLN 7 CO -0.44 0.69 -0.14 0.37 -0.67 0.00 0.00 178.83 178.64 1beg h GLN 8 N 0.56 -0.37 0.00 1.46 4.15 -1.51 -2.50 115.11 116.91 1beg h GLN 8 Ca 0.14 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1beg h GLN 8 Cb 0.30 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1beg h GLN 8 CO -0.00 -0.08 -0.04 1.79 -1.93 0.00 0.00 178.83 178.57 1beg h THR 9 N -0.65 0.80 -0.05 2.39 1.35 -1.34 -1.21 112.91 114.20 1beg h THR 9 Ca -0.04 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1beg h THR 9 Cb 0.46 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1beg h THR 9 CO 0.06 0.04 -0.01 0.00 -0.25 0.00 0.00 175.52 175.36 1beg h ALA 10 N 1.96 0.08 -0.69 6.62 0.00 -1.09 -0.42 119.26 125.71 1beg h ALA 10 Ca -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1beg h ALA 10 Cb 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1beg h ALA 10 CO 0.01 -0.21 0.38 0.00 0.00 0.00 0.00 179.25 179.42 1beg h ALA 11 N 0.65 0.93 -0.84 0.00 0.00 -0.88 -2.75 119.26 116.38 1beg h ALA 11 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1beg h ALA 11 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1beg h ALA 11 CO 0.01 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.96 1beg n TYR 12 N -4.79 0.00 -0.16 0.00 4.02 -0.54 -2.26 117.16 113.43 1beg n TYR 12 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.08 1beg n TYR 12 Cb 0.20 -0.36 0.19 0.00 -0.02 0.00 0.00 39.34 39.35 1beg n TYR 12 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1beg n LYS 13 N -1.70 -0.03 0.01 -0.72 0.00 -0.19 -0.76 118.16 114.75 1beg n LYS 13 Ca 0.00 0.69 -0.00 0.00 0.00 0.00 0.00 58.31 59.00 1beg n LYS 13 Cb 0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 35.03 33.87 1beg n LYS 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1beg h THR 14 N 0.00 0.00 -0.71 3.15 2.02 -1.35 -1.83 112.91 114.19 1beg h THR 14 Ca 0.33 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.61 1beg h THR 14 Cb 0.77 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1beg h THR 14 CO -0.42 0.00 0.25 0.17 0.37 0.00 0.00 175.52 175.89 1beg h LEU 15 N -0.06 0.21 -0.72 2.58 8.10 -0.95 -0.36 115.31 124.11 1beg h LEU 15 Ca -0.00 0.11 -0.08 0.00 0.11 0.00 0.00 57.88 58.02 1beg h LEU 15 Cb 0.01 0.10 -0.03 0.00 -0.44 0.00 0.00 40.66 40.31 1beg h LEU 15 CO 0.00 0.08 0.13 0.58 -4.11 0.00 0.00 178.44 175.13 1beg h VAL 16 N 0.40 1.26 -0.52 0.15 2.07 -1.12 -2.17 116.25 116.31 1beg h VAL 16 Ca 0.39 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1beg h VAL 16 Cb 0.58 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1beg h VAL 16 CO -0.40 0.38 0.35 0.28 0.02 0.00 0.00 177.57 178.20 1beg h SER 17 N 1.05 0.49 0.00 0.57 0.02 -0.17 -3.39 113.55 112.11 1beg h SER 17 Ca 0.21 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1beg h SER 17 Cb 0.41 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1beg h SER 17 CO 0.01 0.33 0.00 -0.38 -1.14 0.00 0.00 176.83 175.65 1beg n ILE 18 N -4.47 0.00 0.00 3.27 5.41 -0.83 -4.83 119.36 117.91 1beg n ILE 18 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1beg n ILE 18 Cb 0.17 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 1beg n ILE 18 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1beg n LEU 19 N 0.00 0.00 -2.49 1.39 4.77 -1.14 -4.10 117.00 115.43 1beg n LEU 19 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1beg n LEU 19 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1beg n LEU 19 CO 0.00 0.00 0.06 -0.24 -1.33 0.00 0.00 177.39 175.88 1beg n SER 20 N 1.61 3.12 -4.82 -1.43 2.88 -1.26 -4.91 113.62 108.80 1beg n SER 20 Ca 0.00 -2.96 -0.30 0.00 -1.33 0.00 0.00 58.87 54.28 1beg n SER 20 Cb 0.00 -0.44 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 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 -3.58 5.76 0.32 -3.46 -1.08 -1.26 -5.00 116.67 108.37 1beg s ASP 21 Ca 0.38 0.05 0.03 0.00 -0.52 0.00 0.00 52.55 52.49 1beg s ASP 21 Cb 0.39 -1.61 0.61 0.00 -1.46 0.00 0.00 42.92 40.85 1beg s ASP 21 CO -0.02 0.15 1.91 0.00 0.52 0.00 0.00 175.17 177.73 1beg h ALA 22 N 3.09 1.60 0.82 3.66 0.00 -1.98 0.51 119.26 126.96 1beg h ALA 22 Ca -0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1beg h ALA 22 Cb 1.17 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1beg h ALA 22 CO 0.68 0.26 -0.39 1.03 0.00 0.00 0.00 179.25 180.82 1beg h SER 23 N 0.92 -0.93 0.03 0.00 0.87 -1.96 -1.16 113.55 111.32 1beg h SER 23 Ca 0.38 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.83 1beg h SER 23 Cb 0.29 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1beg h SER 23 CO -0.15 -0.66 -0.49 0.15 -0.53 0.00 0.00 176.83 175.15 1beg h PHE 24 N -1.12 0.64 0.22 2.24 3.57 -1.79 -2.69 116.94 118.01 1beg h PHE 24 Ca -0.11 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 1beg h PHE 24 Cb 0.85 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1beg h PHE 24 CO -0.01 0.91 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.96 1beg h ASN 25 N 0.41 -0.25 -0.49 0.41 2.35 -0.87 -0.91 115.58 116.22 1beg h ASN 25 Ca 0.02 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1beg h ASN 25 Cb 1.01 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 1beg h ASN 25 CO 0.09 -0.07 0.32 1.56 -1.65 0.00 0.00 177.43 177.68 1beg h GLN 26 N -0.42 0.64 0.33 0.81 1.08 -1.27 -2.22 115.11 114.06 1beg h GLN 26 Ca -0.03 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1beg h GLN 26 Cb 0.32 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1beg h GLN 26 CO 0.05 0.42 -0.23 0.00 -0.95 0.00 0.00 178.83 178.13 1beg h SER 28 N -0.55 0.07 -0.29 0.00 0.02 -0.97 -0.54 113.55 111.31 1beg h SER 28 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1beg h SER 28 Cb 0.47 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1beg h SER 28 CO 0.01 0.04 0.13 0.74 -1.14 0.00 0.00 176.83 176.62 1beg h THR 29 N 0.08 1.16 0.16 -2.27 2.02 -1.07 -2.26 112.91 110.73 1beg h THR 29 Ca 0.22 -0.47 -0.33 0.00 0.77 0.00 0.00 66.41 66.60 1beg h THR 29 Cb 0.75 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1beg h THR 29 CO -0.02 0.16 -1.61 0.44 0.37 0.00 0.00 175.52 174.87 1beg h ASP 30 N 0.33 0.53 -3.08 4.18 3.32 -1.54 -3.38 116.42 116.78 1beg h ASP 30 Ca 0.10 -0.73 -0.68 0.00 0.02 0.00 0.00 57.03 55.74 1beg h ASP 30 Cb 0.14 -0.17 -0.37 0.00 0.22 0.00 0.00 39.33 39.14 1beg h ASP 30 CO -0.01 1.61 -0.20 -0.24 -1.72 0.00 0.00 179.24 178.68 1beg n SER 31 N -3.53 4.05 0.05 6.45 2.88 -0.23 -4.93 113.62 118.36 1beg n SER 31 Ca -0.20 -3.22 0.21 0.00 -1.33 0.00 0.00 58.87 54.34 1beg n SER 31 Cb 1.06 -0.95 0.61 0.00 -0.75 0.00 0.00 64.21 64.18 1beg n SER 31 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1beg h GLY 32 N 5.56 0.00 -0.01 0.46 0.00 -1.60 -3.25 103.07 104.23 1beg h GLY 32 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1beg h GLY 32 CO 0.86 0.00 -0.01 2.98 0.00 0.00 0.00 176.54 180.37 1beg n TYR 33 N -3.37 -0.01 -2.10 5.60 9.36 -1.26 -4.97 117.16 120.41 1beg n TYR 33 Ca 0.10 0.02 -0.00 0.00 3.32 0.00 0.00 57.90 61.33 1beg n TYR 33 Cb 0.89 -0.37 -0.00 0.00 -0.63 0.00 0.00 39.34 39.23 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 -2.76 -7.28 0.26 2.98 2.88 -1.23 -3.73 113.62 104.75 1beg n SER 34 Ca 0.00 1.44 0.17 0.00 -1.33 0.00 0.00 58.87 59.15 1beg n SER 34 Cb 0.00 -4.36 0.91 0.00 -0.75 0.00 0.00 64.21 60.01 1beg n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1beg h MET 35 N 3.38 0.00 0.00 -1.46 -0.00 -1.94 -1.03 114.93 113.88 1beg h MET 35 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1beg h MET 35 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1beg h MET 35 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.91 176.84 1beg h LEU 36 N 0.00 0.00 0.00 -0.10 -0.00 -2.01 -3.39 115.31 109.81 1beg h LEU 36 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1beg h LEU 36 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1beg h LEU 36 CO -0.00 0.00 -0.95 0.41 -0.00 0.00 0.00 178.44 177.90 1beg n THR 37 N -2.33 0.00 -1.77 0.22 -1.04 -0.77 -4.32 114.28 104.27 1beg n THR 37 Ca 0.05 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 1beg n THR 37 Cb 0.40 -1.27 -0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg n ALA 38 N -2.88 2.31 -2.31 2.41 0.00 -0.46 -4.08 120.51 115.50 1beg n ALA 38 Ca 0.00 0.34 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1beg n ALA 38 Cb 0.48 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.53 1beg n ALA 38 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1beg n LYS 39 N 0.54 3.31 0.00 0.00 0.00 -1.26 -4.76 118.16 115.99 1beg n LYS 39 Ca 0.02 -4.25 0.00 0.00 -0.00 0.00 0.00 58.31 54.08 1beg n LYS 39 Cb 0.39 -2.18 0.00 0.00 -0.00 0.00 0.00 35.03 33.24 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1beg n ALA 40 N -0.56 0.00 -1.40 0.58 0.00 -1.26 -4.84 120.51 113.03 1beg n ALA 40 Ca 0.38 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.37 1beg n ALA 40 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 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 -1.26 -4.80 0.00 4.77 -1.26 -4.93 117.00 109.52 1beg n LEU 41 Ca 0.00 1.03 -0.34 0.00 -0.03 0.00 0.00 56.01 56.67 1beg n LEU 41 Cb 0.00 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 1beg n LEU 41 CO 0.00 -3.14 0.72 -2.16 -1.33 0.00 0.00 177.39 171.48 1beg s PRO 42 N -1.11 3.75 0.96 3.23 0.04 -1.26 -5.05 135.00 135.56 1beg s PRO 42 Ca 0.62 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1beg s PRO 42 Cb -0.80 -2.09 0.17 0.00 0.04 0.00 0.00 34.50 31.81 1beg s PRO 42 CO 0.58 -0.47 1.09 0.95 0.04 0.00 0.00 177.00 179.19 1beg s THR 43 N -2.01 2.41 0.44 1.26 -4.23 -1.26 -4.72 115.64 107.53 1beg s THR 43 Ca 0.67 0.13 0.19 0.00 -1.18 0.00 0.00 61.69 61.51 1beg s THR 43 Cb -0.16 -2.46 0.39 0.00 1.34 0.00 0.00 72.50 71.61 1beg s THR 43 CO 0.21 -0.17 1.87 0.00 -0.54 0.00 0.00 174.62 175.99 1beg h THR 44 N -1.84 0.68 0.89 3.99 1.03 -1.97 -1.23 112.91 114.46 1beg h THR 44 Ca -0.51 -0.12 -0.04 0.00 -0.01 0.00 0.00 66.41 65.73 1beg h THR 44 Cb 1.29 0.31 0.01 0.00 -1.07 0.00 0.00 68.15 68.69 1beg h THR 44 CO 0.52 0.06 -0.44 0.00 -0.01 0.00 0.00 175.52 175.65 1beg h ALA 45 N 1.61 -1.32 -0.58 0.00 0.00 -2.00 0.03 119.26 117.00 1beg h ALA 45 Ca 0.44 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1beg h ALA 45 Cb 1.18 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1beg h ALA 45 CO -0.14 -1.24 0.20 1.96 0.00 0.00 0.00 179.25 180.02 1beg h GLN 46 N -1.22 0.86 -0.86 0.00 4.20 -1.87 -2.53 115.11 113.70 1beg h GLN 46 Ca -0.12 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.48 1beg h GLN 46 Cb 0.94 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.52 1beg h GLN 46 CO 0.19 0.74 0.54 1.88 -0.67 0.00 0.00 178.83 181.51 1beg h TYR 47 N 0.84 1.00 -0.11 2.96 0.05 -1.04 -0.86 116.97 119.81 1beg h TYR 47 Ca 0.19 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1beg h TYR 47 Cb 0.22 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 1beg h TYR 47 CO 0.01 0.54 0.04 0.87 -1.05 0.00 0.00 178.16 178.57 1beg h LYS 48 N 1.01 0.17 -0.42 4.88 1.57 -0.57 -0.72 116.57 122.49 1beg h LYS 48 Ca 0.36 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.18 1beg h LYS 48 Cb 0.10 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1beg h LYS 48 CO -0.15 0.31 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.93 1beg h LEU 49 N -0.01 -0.26 0.05 2.94 3.38 -1.13 -2.59 115.31 117.70 1beg h LEU 49 Ca 0.04 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1beg h LEU 49 Cb 0.21 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1beg h LEU 49 CO -0.00 -0.09 -0.02 0.24 0.09 0.00 0.00 178.44 178.66 1beg h MET 50 N 0.06 -0.07 -0.86 1.13 2.86 -1.01 -2.95 114.93 114.10 1beg h MET 50 Ca 0.20 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.06 1beg h MET 50 Cb 0.30 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1beg h MET 50 CO -0.38 0.04 0.59 0.00 1.06 0.00 0.00 176.91 178.21 1beg n ALA 52 N -2.59 3.13 -3.33 0.00 0.00 -1.01 -4.92 120.51 111.79 1beg n ALA 52 Ca 0.18 -1.54 -0.34 0.00 0.00 0.00 0.00 53.44 51.74 1beg n ALA 52 Cb 0.76 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.87 4.21 0.21 0.00 0.15 -0.44 -5.02 113.70 111.95 1beg s SER 53 Ca 0.50 -0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 1beg s SER 53 Cb 0.32 -1.69 0.26 0.00 -1.71 0.00 0.00 66.02 63.20 1beg s SER 53 CO 0.23 0.06 1.66 0.74 1.20 0.00 0.00 173.24 177.13 1beg h THR 54 N 5.55 0.48 0.19 6.45 2.02 -1.92 -2.63 112.91 123.06 1beg h THR 54 Ca -0.35 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1beg h THR 54 Cb 1.18 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1beg h THR 54 CO 0.59 0.01 -0.42 0.00 0.37 0.00 0.00 175.52 176.08 1beg h ALA 55 N 1.56 -0.79 -0.46 6.16 0.00 -1.93 -1.42 119.26 122.37 1beg h ALA 55 Ca 0.30 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1beg h ALA 55 Cb 0.48 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1beg h ALA 55 CO -0.54 -1.00 0.10 0.00 0.00 0.00 0.00 179.25 177.81 1beg h ASN 57 N 0.24 0.91 -0.02 0.00 -0.26 -1.32 -2.38 115.58 112.74 1beg h ASN 57 Ca 0.23 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1beg h ASN 57 Cb 0.29 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1beg h ASN 57 CO -0.29 0.64 0.01 0.74 -1.06 0.00 0.00 177.43 177.48 1beg h THR 58 N 1.07 1.04 0.48 2.81 2.02 -0.12 -0.19 112.91 120.01 1beg h THR 58 Ca 0.31 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1beg h THR 58 Cb -0.06 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1beg h THR 58 CO -0.08 0.03 -0.48 0.24 0.37 0.00 0.00 175.52 175.61 1beg h MET 59 N -0.01 -0.92 0.52 6.66 2.86 -1.05 -1.95 114.93 121.04 1beg h MET 59 Ca 0.01 0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1beg h MET 59 Cb 0.04 0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.91 1beg h MET 59 CO -0.00 -0.61 -0.25 0.82 1.06 0.00 0.00 176.91 177.92 1beg h ILE 60 N -0.95 0.48 -0.77 -1.22 1.08 -1.45 -2.09 117.51 112.58 1beg h ILE 60 Ca -0.06 -0.05 0.16 0.00 -0.39 0.00 0.00 64.86 64.52 1beg h ILE 60 Cb 0.83 0.51 -0.11 0.00 -3.07 0.00 0.00 36.82 34.98 1beg h ILE 60 CO -0.06 0.01 0.28 0.11 -0.69 0.00 0.00 178.15 177.80 1beg h LYS 61 N -0.74 0.37 0.08 2.37 1.79 -1.07 0.13 116.57 119.51 1beg h LYS 61 Ca -0.07 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1beg h LYS 61 Cb 0.55 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1beg h LYS 61 CO 0.12 0.24 -0.04 -0.22 -1.08 0.00 0.00 179.45 178.47 1beg h LYS 62 N 0.38 -0.11 -0.35 3.15 3.64 -1.29 -0.98 116.57 121.02 1beg h LYS 62 Ca 0.44 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1beg h LYS 62 Cb 0.73 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1beg h LYS 62 CO -0.46 0.10 0.22 0.82 -2.27 0.00 0.00 179.45 177.85 1beg h ILE 63 N -0.30 1.09 0.25 2.00 1.08 -0.56 0.96 117.51 122.03 1beg h ILE 63 Ca -0.01 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1beg h ILE 63 Cb 0.25 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1beg h ILE 63 CO 0.02 0.09 -0.12 0.58 -0.69 0.00 0.00 178.15 178.03 1beg h VAL 64 N 0.47 0.59 -0.47 1.67 2.07 -0.57 -2.88 116.25 117.13 1beg h VAL 64 Ca 0.13 -0.92 0.09 0.00 0.82 0.00 0.00 66.70 66.82 1beg h VAL 64 Cb -0.04 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1beg h VAL 64 CO -0.03 0.15 0.32 0.74 0.02 0.00 0.00 177.57 178.77 1beg h THR 65 N -0.93 0.88 -0.45 2.57 2.02 -0.96 -1.82 112.91 114.21 1beg h THR 65 Ca -0.03 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1beg h THR 65 Cb 0.49 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1beg h THR 65 CO 0.06 0.04 0.18 0.25 0.37 0.00 0.00 175.52 176.42 1beg h LEU 66 N 0.24 0.63 -2.36 2.58 7.12 -0.78 -3.49 115.31 119.25 1beg h LEU 66 Ca 0.22 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1beg h LEU 66 Cb 0.54 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1beg h LEU 66 CO -0.04 0.62 -0.53 0.59 -0.13 0.00 0.00 178.44 178.96 1beg n ASN 67 N -4.60 -7.11 -4.90 1.25 3.02 -0.69 -5.05 115.26 97.20 1beg n ASN 67 Ca 0.01 0.64 -0.29 0.00 -0.03 0.00 0.00 54.58 54.91 1beg n ASN 67 Cb 0.15 -4.75 0.08 0.00 -0.61 0.00 0.00 39.78 34.65 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1beg s PRO 68 N -2.14 2.22 0.30 3.52 0.04 -1.26 -5.07 135.00 132.61 1beg s PRO 68 Ca 0.16 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.14 1beg s PRO 68 Cb -0.05 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1beg s PRO 68 CO 0.66 -1.41 0.84 -1.25 0.04 0.00 0.00 177.00 175.88 1beg s PRO 69 N -5.48 4.33 -0.45 0.56 0.04 -1.26 -4.82 135.00 127.92 1beg s PRO 69 Ca 0.61 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1beg s PRO 69 Cb -0.11 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.76 1beg s PRO 69 CO 0.49 0.26 1.40 1.21 0.04 0.00 0.00 177.00 180.40 1beg s ASN 70 N -1.81 6.29 -0.19 6.66 3.84 -1.26 -4.36 114.94 124.11 1beg s ASN 70 Ca 0.50 0.68 -0.31 0.00 0.21 0.00 0.00 52.86 53.94 1beg s ASN 70 Cb -0.15 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.15 1beg s ASN 70 CO 0.20 -1.50 1.16 0.00 -2.79 0.00 0.00 177.10 174.17 1beg s ASP 72 N -1.49 7.07 -0.41 0.00 1.11 -1.23 -4.26 116.67 117.45 1beg s ASP 72 Ca 0.05 1.63 -0.10 0.00 0.18 0.00 0.00 52.55 54.31 1beg s ASP 72 Cb -0.01 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.50 1beg s ASP 72 CO -0.04 -0.63 0.26 -0.22 1.18 0.00 0.00 175.17 175.73 1beg s LEU 73 N 2.75 5.10 -0.12 1.23 1.98 -0.86 -2.57 118.68 126.19 1beg s LEU 73 Ca 0.51 -1.38 -0.27 0.00 -2.89 0.00 0.00 54.13 50.10 1beg s LEU 73 Cb -0.20 -2.01 -0.02 0.00 0.66 0.00 0.00 46.19 44.62 1beg s LEU 73 CO 0.16 -0.52 0.90 0.42 -1.89 0.00 0.00 176.35 175.42 1beg s THR 74 N 1.47 4.85 -0.29 3.68 -4.23 -1.26 -1.34 115.64 118.52 1beg s THR 74 Ca 0.03 1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 62.26 1beg s THR 74 Cb -0.22 -4.21 -0.01 0.00 1.34 0.00 0.00 72.50 69.39 1beg s THR 74 CO 0.03 0.04 0.12 -0.69 -0.54 0.00 0.00 174.62 173.59 1beg s VAL 75 N 1.91 4.49 0.19 2.29 1.01 -0.71 -4.99 120.40 124.60 1beg s VAL 75 Ca 0.43 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1beg s VAL 75 Cb -0.18 -3.23 -0.12 0.00 0.00 0.00 0.00 36.38 32.85 1beg s VAL 75 CO 0.16 0.16 1.44 1.55 0.00 0.00 0.00 175.10 178.40 1beg h PRO 76 N 8.31 0.13 -0.18 2.72 0.13 -1.96 0.07 132.00 141.22 1beg h PRO 76 Ca -0.34 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1beg h PRO 76 Cb 1.15 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1beg h PRO 76 CO 0.60 0.86 0.09 1.79 -0.23 0.00 0.00 178.00 181.12 1beg h THR 77 N 0.08 1.11 0.05 1.56 1.35 -1.95 -3.25 112.91 111.86 1beg h THR 77 Ca -0.03 -0.31 -0.13 0.00 -0.55 0.00 0.00 66.41 65.39 1beg h THR 77 Cb 1.41 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1beg h THR 77 CO 0.12 0.11 -0.67 0.77 -0.25 0.00 0.00 175.52 175.60 1beg h SER 78 N 0.18 0.15 -0.06 5.36 4.64 -1.71 -3.48 113.55 118.63 1beg h SER 78 Ca 0.06 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 1beg h SER 78 Cb 0.09 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1beg h SER 78 CO -0.01 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.85 1beg n GLY 79 N 1.61 1.45 3.20 -0.77 0.00 -0.01 -4.59 105.19 106.08 1beg n GLY 79 Ca -0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.06 2.20 -0.17 0.99 2.01 -1.11 -5.00 118.68 117.53 1beg s LEU 80 Ca 0.00 -1.12 -0.13 0.00 0.01 0.00 0.00 54.13 52.89 1beg s LEU 80 Cb 0.00 0.00 -0.05 0.00 0.01 0.00 0.00 46.19 46.16 1beg s LEU 80 CO 0.00 -0.56 0.28 -0.69 1.01 0.00 0.00 176.35 176.38 1beg s VAL 81 N -3.72 5.31 -0.13 -1.59 1.01 -1.26 -1.74 120.40 118.28 1beg s VAL 81 Ca 0.20 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 1beg s VAL 81 Cb 0.06 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.87 1beg s VAL 81 CO 0.00 0.38 0.04 -0.22 0.00 0.00 0.00 175.10 175.30 1beg s LEU 82 N 0.59 0.63 -0.45 3.92 2.96 -0.45 -4.97 118.68 120.91 1beg s LEU 82 Ca 0.15 -0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 53.43 1beg s LEU 82 Cb -0.13 -0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.20 1beg s LEU 82 CO 0.04 -0.28 0.69 0.54 -1.32 0.00 0.00 176.35 176.02 1beg s ASN 83 N 2.01 6.34 0.50 3.68 4.22 -1.26 -2.03 114.94 128.41 1beg s ASN 83 Ca 0.02 -0.30 0.17 0.00 -2.14 0.00 0.00 52.86 50.62 1beg s ASN 83 Cb -0.15 -2.34 1.24 0.00 1.28 0.00 0.00 41.25 41.28 1beg s ASN 83 CO -0.07 -0.83 2.09 0.58 -2.04 0.00 0.00 177.10 176.83 1beg h VAL 84 N 5.91 0.93 0.80 3.54 2.07 -1.90 -0.97 116.25 126.64 1beg h VAL 84 Ca -0.25 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1beg h VAL 84 Cb 1.09 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1beg h VAL 84 CO 0.92 0.02 -0.39 0.22 0.02 0.00 0.00 177.57 178.36 1beg h TYR 85 N 0.09 -1.01 -0.23 1.57 3.20 -1.83 -2.33 116.97 116.43 1beg h TYR 85 Ca 0.10 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1beg h TYR 85 Cb 0.30 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1beg h TYR 85 CO -0.00 -0.63 -0.08 1.03 -1.64 0.00 0.00 178.16 176.84 1beg h SER 86 N -1.08 0.33 0.37 -2.11 0.87 -1.85 -2.98 113.55 107.10 1beg h SER 86 Ca -0.11 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1beg h SER 86 Cb 0.83 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1beg h SER 86 CO 0.18 0.46 -0.48 0.22 -0.53 0.00 0.00 176.83 176.68 1beg h TYR 87 N 0.34 -1.34 0.33 2.24 3.20 -0.86 -0.17 116.97 120.71 1beg h TYR 87 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1beg h TYR 87 Cb 0.36 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1beg h TYR 87 CO 0.01 -0.62 -0.31 0.00 -1.64 0.00 0.00 178.16 175.60 1beg h ALA 88 N -0.65 -0.67 -0.85 1.82 0.00 -1.39 -2.35 119.26 115.17 1beg h ALA 88 Ca -0.04 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1beg h ALA 88 Cb 0.81 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1beg h ALA 88 CO -0.12 -0.91 0.53 -0.91 0.00 0.00 0.00 179.25 177.84 1beg h ASN 89 N -0.66 0.85 -0.06 0.00 2.35 -1.49 -3.26 115.58 113.31 1beg h ASN 89 Ca -0.02 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1beg h ASN 89 Cb 0.60 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1beg h ASN 89 CO -0.05 0.56 -0.16 1.23 -1.65 0.00 0.00 177.43 177.36 1beg h GLY 90 N 1.00 0.24 -0.27 2.83 0.00 -0.97 -3.31 103.07 102.58 1beg h GLY 90 Ca 0.36 -0.30 0.18 0.00 0.00 0.00 0.00 47.33 47.57 1beg h GLY 90 CO -0.15 0.27 0.13 -2.75 0.00 0.00 0.00 176.54 174.04 1beg h PHE 91 N -0.29 0.18 0.24 5.60 3.04 -1.46 -1.71 116.94 122.53 1beg h PHE 91 Ca -0.00 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1beg h PHE 91 Cb 0.78 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1beg h PHE 91 CO 0.12 -0.17 -0.11 0.66 -2.02 0.00 0.00 178.31 176.79 1beg h SER 92 N 0.19 -0.27 -0.28 0.41 4.64 -1.71 -1.60 113.55 114.93 1beg h SER 92 Ca 0.45 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.61 1beg h SER 92 Cb 0.82 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.91 1beg h SER 92 CO -0.60 0.11 -0.21 -1.13 -0.87 0.00 0.00 176.83 174.13 1beg h ASN 93 N -0.69 -0.69 0.08 4.97 -1.24 -1.57 -0.74 115.58 115.71 1beg h ASN 93 Ca -0.03 0.14 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 1beg h ASN 93 Cb 0.48 0.34 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 1beg h ASN 93 CO 0.05 -0.25 -0.31 0.07 -1.29 0.00 0.00 177.43 175.71 1beg h LYS 94 N -0.19 0.34 -0.07 6.67 5.09 -1.40 -2.67 116.57 124.34 1beg h LYS 94 Ca 0.15 -0.14 -0.07 0.00 0.09 0.00 0.00 60.65 60.69 1beg h LYS 94 Cb 0.42 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.73 1beg h LYS 94 CO -0.39 0.62 -0.27 0.00 -2.09 0.00 0.00 179.45 177.32 1beg h SER 96 N 0.11 0.42 1.51 0.00 0.87 -0.86 -3.15 113.55 112.44 1beg h SER 96 Ca 0.02 -0.54 -0.03 0.00 -1.23 0.00 0.00 61.79 60.00 1beg h SER 96 Cb 0.54 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1beg h SER 96 CO 0.04 0.88 -0.15 -1.28 -0.53 0.00 0.00 176.83 175.79 1beg h SER 97 N -0.03 0.00 -0.03 6.23 0.87 -1.26 -3.52 113.55 115.82 1beg h SER 97 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1beg h SER 97 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1beg h SER 97 CO 0.05 0.15 0.00 -0.11 -0.53 0.00 0.00 176.83 176.39