#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 0.63 0.94 6.98 0.00 -1.05 -3.01 121.76 126.26 1beg s ALA 2 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 1beg s ALA 2 Cb 0.00 0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.47 1beg s ALA 2 CO 0.00 -0.26 1.09 0.00 0.00 0.00 0.00 175.76 176.59 1beg n THR 4 N -4.03 0.00 0.04 0.00 -1.04 -1.26 -4.89 114.28 103.10 1beg n THR 4 Ca 0.06 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1beg n THR 4 Cb 0.56 -0.04 -0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1beg n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg n ALA 5 N -3.00 2.91 -0.07 2.41 0.00 -1.26 -4.41 120.51 117.09 1beg n ALA 5 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1beg n ALA 5 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.04 1.07 -0.13 0.00 2.02 -1.98 0.72 112.91 114.57 1beg h THR 6 Ca -0.00 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1beg h THR 6 Cb 0.12 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1beg h THR 6 CO -0.00 0.07 0.08 1.56 0.37 0.00 0.00 175.52 177.60 1beg h GLN 7 N 0.35 0.17 -0.59 6.66 4.20 -1.96 -1.62 115.11 122.31 1beg h GLN 7 Ca 0.09 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1beg h GLN 7 Cb -0.03 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1beg h GLN 7 CO -0.02 0.15 0.27 0.37 -0.67 0.00 0.00 178.83 178.92 1beg h GLN 8 N 0.15 0.84 0.00 1.46 4.15 -1.71 -1.98 115.11 118.02 1beg h GLN 8 Ca 0.05 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 1beg h GLN 8 Cb 0.01 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1beg h GLN 8 CO -0.01 0.66 -0.62 1.79 -1.93 0.00 0.00 178.83 178.72 1beg h THR 9 N 0.83 1.32 0.03 2.39 1.35 -0.59 0.01 112.91 118.27 1beg h THR 9 Ca 0.20 -2.23 -0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1beg h THR 9 Cb 0.12 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1beg h THR 9 CO -0.02 0.61 -0.02 0.00 -0.25 0.00 0.00 175.52 175.84 1beg h ALA 10 N 1.38 -0.04 -0.36 6.62 0.00 -0.80 0.12 119.26 126.17 1beg h ALA 10 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1beg h ALA 10 Cb 1.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1beg h ALA 10 CO 0.08 -0.28 0.16 0.00 0.00 0.00 0.00 179.25 179.21 1beg h ALA 11 N 0.40 0.47 -0.58 0.00 0.00 -1.37 -2.60 119.26 115.58 1beg h ALA 11 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1beg h ALA 11 Cb 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1beg h ALA 11 CO 0.01 0.05 0.18 1.88 0.00 0.00 0.00 179.25 181.37 1beg h TYR 12 N 0.45 0.89 0.29 0.00 0.05 -0.98 -0.67 116.97 116.99 1beg h TYR 12 Ca 0.12 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1beg h TYR 12 Cb 0.15 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1beg h TYR 12 CO -0.01 0.72 -0.25 -0.22 -1.05 0.00 0.00 178.16 177.35 1beg h LYS 13 N 0.84 -0.53 0.38 4.88 3.64 -0.38 0.65 116.57 126.06 1beg h LYS 13 Ca 0.19 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1beg h LYS 13 Cb 0.25 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1beg h LYS 13 CO -0.01 -0.35 -0.18 1.15 -2.27 0.00 0.00 179.45 177.78 1beg h THR 14 N -0.55 0.00 -0.62 1.00 2.02 -1.29 -2.66 112.91 110.81 1beg h THR 14 Ca -0.02 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1beg h THR 14 Cb 0.49 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1beg h THR 14 CO -0.03 0.00 0.38 0.25 0.37 0.00 0.00 175.52 176.50 1beg h LEU 15 N -0.57 0.63 -0.74 2.58 6.46 -1.20 -2.15 115.31 120.32 1beg h LEU 15 Ca -0.05 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1beg h LEU 15 Cb 0.39 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 1beg h LEU 15 CO 0.09 0.44 0.24 0.58 -0.62 0.00 0.00 178.44 179.16 1beg h VAL 16 N 0.75 1.26 -0.28 1.05 2.07 -0.99 -1.47 116.25 118.65 1beg h VAL 16 Ca 0.25 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1beg h VAL 16 Cb 0.02 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1beg h VAL 16 CO -0.10 0.35 0.14 -1.28 0.02 0.00 0.00 177.57 176.70 1beg h SER 17 N 1.09 0.33 -1.88 0.57 0.87 -1.08 -3.28 113.55 110.17 1beg h SER 17 Ca 0.24 -0.02 -0.76 0.00 -1.23 0.00 0.00 61.79 60.02 1beg h SER 17 Cb 0.30 -0.08 -0.18 0.00 -0.44 0.00 0.00 62.40 62.00 1beg h SER 17 CO -0.01 0.28 1.62 0.00 -0.53 0.00 0.00 176.83 178.19 1beg n ILE 18 N -4.45 4.43 0.06 2.23 0.13 -0.55 -4.57 119.36 116.63 1beg n ILE 18 Ca 0.01 -4.71 0.00 0.00 -1.10 0.00 0.00 62.75 56.95 1beg n ILE 18 Cb 0.10 -2.37 0.00 0.00 -0.84 0.00 0.00 39.64 36.53 1beg n ILE 18 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1beg n LEU 19 N 4.09 0.02 -3.02 9.51 4.77 -1.24 -4.93 117.00 126.20 1beg n LEU 19 Ca 0.37 0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 56.15 1beg n LEU 19 Cb 0.38 0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1beg n LEU 19 CO 0.73 -0.63 1.55 -0.24 -1.33 0.00 0.00 177.39 177.47 1beg n SER 20 N -2.95 7.45 -4.35 -1.43 2.88 -1.26 -4.75 113.62 109.21 1beg n SER 20 Ca 0.00 -3.76 -0.25 0.00 -1.33 0.00 0.00 58.87 53.53 1beg n SER 20 Cb 0.00 -1.10 -0.12 0.00 -0.75 0.00 0.00 64.21 62.24 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 -1.00 2.91 0.44 -3.46 -1.08 -1.26 -5.05 116.67 108.17 1beg s ASP 21 Ca 0.50 -0.78 0.11 0.00 -0.52 0.00 0.00 52.55 51.87 1beg s ASP 21 Cb 0.39 -0.18 0.99 0.00 -1.46 0.00 0.00 42.92 42.65 1beg s ASP 21 CO -0.35 0.07 2.04 0.00 0.52 0.00 0.00 175.17 177.45 1beg h ALA 22 N 3.64 1.74 0.51 3.66 0.00 -1.98 -2.73 119.26 124.11 1beg h ALA 22 Ca -0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1beg h ALA 22 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1beg h ALA 22 CO 0.44 0.20 -0.39 1.03 0.00 0.00 0.00 179.25 180.53 1beg h SER 23 N 0.22 -1.04 0.14 0.00 0.87 -1.97 0.92 113.55 112.70 1beg h SER 23 Ca 0.06 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1beg h SER 23 Cb 0.12 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1beg h SER 23 CO -0.00 -0.56 -0.07 0.15 -0.53 0.00 0.00 176.83 175.82 1beg h PHE 24 N -0.87 -0.18 -0.58 2.24 3.57 -1.86 -2.17 116.94 117.08 1beg h PHE 24 Ca -0.07 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.53 1beg h PHE 24 Cb 0.73 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 1beg h PHE 24 CO -0.14 -0.02 0.17 -0.97 -2.23 0.00 0.00 178.31 175.12 1beg h ASN 25 N -0.30 0.11 -0.57 0.41 -0.73 -1.50 -1.62 115.58 111.39 1beg h ASN 25 Ca -0.02 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 1beg h ASN 25 Cb 0.24 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 1beg h ASN 25 CO 0.03 0.07 0.27 -0.61 -0.37 0.00 0.00 177.43 176.82 1beg h GLN 26 N 0.33 0.82 0.25 6.67 5.75 -0.72 -0.77 115.11 127.44 1beg h GLN 26 Ca 0.30 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1beg h GLN 26 Cb 0.40 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1beg h GLN 26 CO -0.34 0.68 -0.12 0.00 -2.65 0.00 0.00 178.83 176.40 1beg h SER 28 N -0.34 1.11 -0.17 0.00 4.64 -1.20 -2.57 113.55 115.02 1beg h SER 28 Ca -0.03 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.03 1beg h SER 28 Cb 0.26 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1beg h SER 28 CO 0.06 0.89 -0.44 0.74 -0.87 0.00 0.00 176.83 177.20 1beg h THR 29 N 1.25 1.29 0.59 2.95 2.02 -0.92 -2.57 112.91 117.52 1beg h THR 29 Ca 0.31 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 1beg h THR 29 Cb 0.03 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1beg h THR 29 CO -0.05 0.53 -0.44 -0.78 0.37 0.00 0.00 175.52 175.14 1beg h ASP 30 N 0.58 -1.16 0.00 4.18 3.58 0.08 -3.43 116.42 120.25 1beg h ASP 30 Ca 0.04 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1beg h ASP 30 Cb 1.00 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1beg h ASP 30 CO 0.09 -0.63 -0.07 -0.24 -2.88 0.00 0.00 179.24 175.51 1beg n SER 31 N -5.16 0.85 0.00 2.28 2.88 -1.06 -5.09 113.62 108.32 1beg n SER 31 Ca -0.12 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1beg n SER 31 Cb 0.43 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 3.31 1.31 3.51 0.46 0.00 -0.97 -5.04 105.19 107.77 1beg n GLY 32 Ca -0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 1.24 -3.85 1.61 9.36 -1.26 -4.77 117.16 119.48 1beg n TYR 33 Ca 0.00 0.23 -0.30 0.00 3.32 0.00 0.00 57.90 61.15 1beg n TYR 33 Cb 0.00 -2.54 -0.11 0.00 -0.63 0.00 0.00 39.34 36.06 1beg n TYR 33 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1beg s SER 34 N 9.90 5.03 0.18 2.98 1.04 -1.26 -4.35 113.70 127.23 1beg s SER 34 Ca 1.12 -3.79 0.09 0.00 0.48 0.00 0.00 55.95 53.85 1beg s SER 34 Cb -0.67 -1.69 0.63 0.00 0.10 0.00 0.00 66.02 64.38 1beg s SER 34 CO 0.39 -0.11 0.79 1.15 0.98 0.00 0.00 173.24 176.44 1beg n MET 35 N 2.09 -0.03 0.10 4.02 0.00 -1.26 -0.93 117.12 121.11 1beg n MET 35 Ca 0.19 0.71 -0.13 0.00 0.00 0.00 0.00 57.70 58.47 1beg n MET 35 Cb 0.35 -1.24 -0.07 0.00 0.00 0.00 0.00 33.22 32.26 1beg n MET 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1beg h LEU 36 N 0.00 -0.14 -4.08 3.17 4.07 -1.94 -3.16 115.31 113.23 1beg h LEU 36 Ca 0.41 -0.02 -0.60 0.00 0.08 0.00 0.00 57.88 57.75 1beg h LEU 36 Cb 1.04 0.04 -0.39 0.00 1.08 0.00 0.00 40.66 42.43 1beg h LEU 36 CO -0.40 -0.08 -0.31 0.41 -1.08 0.00 0.00 178.44 176.98 1beg n THR 37 N -5.15 2.80 -3.30 0.22 -1.04 -0.10 -4.31 114.28 103.40 1beg n THR 37 Ca -0.08 -4.14 -0.08 0.00 -2.04 0.00 0.00 64.05 57.71 1beg n THR 37 Cb 0.10 -1.18 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 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 -3.67 -1.26 0.01 2.41 0.00 -0.67 -4.85 121.76 113.72 1beg s ALA 38 Ca 0.53 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 1beg s ALA 38 Cb 0.43 -2.08 -0.26 0.00 0.00 0.00 0.00 23.12 21.21 1beg s ALA 38 CO -0.06 -1.73 1.07 1.57 0.00 0.00 0.00 175.76 176.61 1beg h LYS 39 N 8.15 0.45 -6.39 0.00 -0.00 -1.85 -3.40 116.57 113.54 1beg h LYS 39 Ca -0.09 -0.54 -0.54 0.00 -0.00 0.00 0.00 60.65 59.47 1beg h LYS 39 Cb 1.12 0.17 -0.01 0.00 -0.00 0.00 0.00 32.23 33.51 1beg h LYS 39 CO 0.26 1.19 0.57 0.00 -0.00 0.00 0.00 179.45 181.47 1beg s ALA 40 N -3.05 3.38 0.87 0.07 0.00 -1.26 -4.84 121.76 116.93 1beg s ALA 40 Ca -0.12 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 1beg s ALA 40 Cb 0.04 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.83 1beg s ALA 40 CO 0.85 -0.52 1.14 -0.51 0.00 0.00 0.00 175.76 176.72 1beg s LEU 41 N 1.54 2.93 0.50 0.00 1.43 -1.26 -5.01 118.68 118.81 1beg s LEU 41 Ca 0.55 2.12 -0.19 0.00 -1.03 0.00 0.00 54.13 55.58 1beg s LEU 41 Cb -0.25 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.33 1beg s LEU 41 CO 0.25 -2.79 1.03 -2.16 0.23 0.00 0.00 176.35 172.91 1beg s PRO 42 N -4.65 3.78 0.72 1.29 0.04 -1.26 -5.08 135.00 129.83 1beg s PRO 42 Ca 0.66 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 1beg s PRO 42 Cb -0.22 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.28 1beg s PRO 42 CO 0.56 -0.44 1.05 0.95 0.04 0.00 0.00 177.00 179.17 1beg s THR 43 N -2.11 2.48 0.24 1.26 -4.23 -1.26 -4.83 115.64 107.19 1beg s THR 43 Ca 0.66 -0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1beg s THR 43 Cb -0.15 -3.10 0.20 0.00 1.34 0.00 0.00 72.50 70.79 1beg s THR 43 CO 0.22 -0.11 1.74 0.00 -0.54 0.00 0.00 174.62 175.93 1beg h THR 44 N -0.66 0.71 -0.22 3.99 1.03 -1.98 0.20 112.91 115.98 1beg h THR 44 Ca -0.45 -0.16 0.02 0.00 -0.01 0.00 0.00 66.41 65.81 1beg h THR 44 Cb 1.31 0.19 -0.02 0.00 -1.07 0.00 0.00 68.15 68.55 1beg h THR 44 CO 0.62 0.09 0.07 0.00 -0.01 0.00 0.00 175.52 176.29 1beg h ALA 45 N 1.51 0.24 -0.58 0.00 0.00 -2.01 -2.04 119.26 116.38 1beg h ALA 45 Ca 0.39 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 1beg h ALA 45 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1beg h ALA 45 CO -0.36 -0.35 -0.00 1.96 0.00 0.00 0.00 179.25 180.49 1beg h GLN 46 N 0.17 1.00 0.33 0.00 4.20 -1.66 -2.72 115.11 116.43 1beg h GLN 46 Ca 0.10 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1beg h GLN 46 Cb 0.07 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1beg h GLN 46 CO -0.10 0.98 -0.49 1.88 -0.67 0.00 0.00 178.83 180.43 1beg h TYR 47 N 0.92 -1.39 -0.58 2.96 0.05 0.04 0.13 116.97 119.10 1beg h TYR 47 Ca 0.17 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.98 1beg h TYR 47 Cb 0.54 0.56 -0.03 0.00 1.01 0.00 0.00 36.73 38.81 1beg h TYR 47 CO 0.04 -0.61 0.38 1.57 -1.05 0.00 0.00 178.16 178.49 1beg h LYS 48 N -0.86 0.75 -0.84 4.88 2.10 -1.46 -2.07 116.57 119.07 1beg h LYS 48 Ca -0.04 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 58.64 1beg h LYS 48 Cb 0.78 -0.17 -0.06 0.00 -0.90 0.00 0.00 32.23 31.89 1beg h LYS 48 CO -0.15 0.50 0.55 -0.07 -2.00 0.00 0.00 179.45 178.27 1beg h LEU 49 N 0.77 0.79 -0.06 7.07 3.38 -1.18 -2.64 115.31 123.44 1beg h LEU 49 Ca 0.22 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.03 1beg h LEU 49 Cb -0.07 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.54 1beg h LEU 49 CO -0.06 0.50 -0.63 0.24 0.09 0.00 0.00 178.44 178.58 1beg h MET 50 N 0.89 0.53 -0.20 1.13 2.86 -0.31 -3.29 114.93 116.54 1beg h MET 50 Ca 0.37 -0.49 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1beg h MET 50 Cb 0.28 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1beg h MET 50 CO -0.14 1.12 0.18 0.00 1.06 0.00 0.00 176.91 179.14 1beg h ALA 52 N 1.83 0.65 -2.27 0.00 0.00 -1.60 -3.46 119.26 114.41 1beg h ALA 52 Ca 0.10 -0.65 -0.56 0.00 0.00 0.00 0.00 54.91 53.80 1beg h ALA 52 Cb 0.46 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1beg h ALA 52 CO -0.00 0.77 0.75 0.45 0.00 0.00 0.00 179.25 181.21 1beg s SER 53 N -6.05 7.03 0.32 0.00 0.15 -0.96 -4.95 113.70 109.23 1beg s SER 53 Ca 0.00 1.77 0.05 0.00 0.70 0.00 0.00 55.95 58.47 1beg s SER 53 Cb 0.08 -2.55 0.70 0.00 -1.71 0.00 0.00 66.02 62.54 1beg s SER 53 CO 0.78 -0.62 1.85 0.00 1.20 0.00 0.00 173.24 176.45 1beg h THR 54 N 5.14 0.86 0.46 6.45 1.03 -1.90 -1.13 112.91 123.82 1beg h THR 54 Ca -0.32 -0.29 -0.02 0.00 -0.01 0.00 0.00 66.41 65.77 1beg h THR 54 Cb 1.14 -0.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 1beg h THR 54 CO 0.90 0.15 -0.22 0.00 -0.01 0.00 0.00 175.52 176.34 1beg h ALA 55 N 1.58 -1.12 -0.82 0.00 0.00 -1.92 -1.99 119.26 114.98 1beg h ALA 55 Ca 0.48 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.38 1beg h ALA 55 Cb 0.63 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1beg h ALA 55 CO -0.24 -1.08 0.43 0.00 0.00 0.00 0.00 179.25 178.36 1beg h ASN 57 N 0.65 -0.93 0.45 0.00 2.35 -1.16 -0.90 115.58 116.04 1beg h ASN 57 Ca 0.43 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.32 1beg h ASN 57 Cb 0.55 0.41 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 1beg h ASN 57 CO -0.33 -0.33 -0.49 0.74 -1.65 0.00 0.00 177.43 175.37 1beg h THR 58 N -0.34 0.04 -0.40 2.81 2.02 -0.54 -0.42 112.91 116.08 1beg h THR 58 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1beg h THR 58 Cb 0.52 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1beg h THR 58 CO -0.37 0.00 -0.25 0.24 0.37 0.00 0.00 175.52 175.51 1beg h MET 59 N -0.96 -0.01 0.24 6.66 2.86 -0.71 -0.16 114.93 122.85 1beg h MET 59 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1beg h MET 59 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1beg h MET 59 CO -0.09 -0.01 -0.12 0.82 1.06 0.00 0.00 176.91 178.58 1beg h ILE 60 N -0.01 0.70 -0.96 -1.22 2.04 -1.21 -2.88 117.51 113.97 1beg h ILE 60 Ca 0.06 -0.88 0.20 0.00 1.00 0.00 0.00 64.86 65.24 1beg h ILE 60 Cb 0.18 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.29 1beg h ILE 60 CO -0.38 0.16 0.61 0.11 0.00 0.00 0.00 178.15 178.65 1beg h LYS 61 N -0.86 0.58 0.16 2.37 1.79 -1.08 -0.33 116.57 119.20 1beg h LYS 61 Ca -0.03 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1beg h LYS 61 Cb 0.51 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1beg h LYS 61 CO 0.05 0.38 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.51 1beg h LYS 62 N 0.59 -0.21 -0.85 3.15 3.64 -1.06 -0.93 116.57 120.91 1beg h LYS 62 Ca 0.53 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.93 1beg h LYS 62 Cb 1.04 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1beg h LYS 62 CO -0.28 0.04 0.56 0.82 -2.27 0.00 0.00 179.45 178.32 1beg h ILE 63 N -0.43 1.22 0.12 2.00 2.04 -0.98 -1.96 117.51 119.51 1beg h ILE 63 Ca -0.02 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1beg h ILE 63 Cb 0.34 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1beg h ILE 63 CO 0.04 0.21 -0.06 0.58 0.00 0.00 0.00 178.15 178.92 1beg h VAL 64 N 1.15 0.89 -0.68 1.67 2.07 -1.00 -2.42 116.25 117.94 1beg h VAL 64 Ca 0.31 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.81 1beg h VAL 64 Cb -0.13 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1beg h VAL 64 CO -0.07 0.01 0.45 0.74 0.02 0.00 0.00 177.57 178.72 1beg h THR 65 N -0.17 1.16 -0.44 2.57 2.02 -1.00 -2.63 112.91 114.43 1beg h THR 65 Ca -0.02 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1beg h THR 65 Cb 0.13 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1beg h THR 65 CO 0.03 0.16 0.27 -0.07 0.37 0.00 0.00 175.52 176.28 1beg h LEU 66 N 0.90 0.45 -2.42 2.58 -0.00 -0.89 -3.49 115.31 112.44 1beg h LEU 66 Ca 0.25 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1beg h LEU 66 Cb -0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 1beg h LEU 66 CO -0.06 0.32 -0.61 -3.20 -0.00 0.00 0.00 178.44 174.90 1beg n ASN 67 N -4.82 -6.31 -4.57 -0.43 5.15 -0.98 -5.08 115.26 98.22 1beg n ASN 67 Ca 0.02 0.84 -0.26 0.00 -0.60 0.00 0.00 54.58 54.58 1beg n ASN 67 Cb 0.05 -4.13 0.12 0.00 -0.53 0.00 0.00 39.78 35.29 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1beg s PRO 68 N -1.47 1.49 0.37 1.20 0.04 -1.26 -5.09 135.00 130.29 1beg s PRO 68 Ca 0.05 -0.70 -0.24 0.00 0.04 0.00 0.00 61.00 60.15 1beg s PRO 68 Cb -0.02 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1beg s PRO 68 CO 0.56 -1.68 0.96 -1.25 0.04 0.00 0.00 177.00 175.62 1beg s PRO 69 N -5.39 4.40 -0.50 0.56 0.04 -1.26 -4.95 135.00 127.90 1beg s PRO 69 Ca 0.67 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 62.69 1beg s PRO 69 Cb -0.06 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1beg s PRO 69 CO 0.47 0.11 1.42 1.21 0.04 0.00 0.00 177.00 180.25 1beg s ASN 70 N -1.84 6.20 -0.28 6.66 3.04 -1.26 -4.52 114.94 122.93 1beg s ASN 70 Ca 0.56 0.51 -0.29 0.00 0.04 0.00 0.00 52.86 53.68 1beg s ASN 70 Cb -0.15 -2.54 0.19 0.00 -1.54 0.00 0.00 41.25 37.21 1beg s ASN 70 CO 0.20 -1.61 1.36 0.00 -3.04 0.00 0.00 177.10 174.01 1beg s ASP 72 N -0.91 6.60 0.31 0.00 1.01 -1.16 -4.35 116.67 118.16 1beg s ASP 72 Ca 0.08 1.40 0.03 0.00 0.71 0.00 0.00 52.55 54.77 1beg s ASP 72 Cb -0.01 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1beg s ASP 72 CO -0.08 -0.50 0.11 -0.76 0.21 0.00 0.00 175.17 174.15 1beg s LEU 73 N -3.93 1.81 -0.10 1.23 1.02 0.05 -1.75 118.68 117.01 1beg s LEU 73 Ca 0.56 -1.47 0.00 0.00 0.02 0.00 0.00 54.13 53.24 1beg s LEU 73 Cb -0.10 -0.03 -0.02 0.00 0.02 0.00 0.00 46.19 46.06 1beg s LEU 73 CO 0.30 -0.78 -0.10 0.42 0.02 0.00 0.00 176.35 176.22 1beg s THR 74 N -3.54 3.41 0.48 5.49 -4.23 -1.26 -1.19 115.64 114.81 1beg s THR 74 Ca 0.35 -0.56 -0.22 0.00 -1.18 0.00 0.00 61.69 60.08 1beg s THR 74 Cb 0.06 -2.41 -0.07 0.00 1.34 0.00 0.00 72.50 71.42 1beg s THR 74 CO 0.15 0.56 1.13 0.54 -0.54 0.00 0.00 174.62 176.46 1beg s VAL 75 N -0.27 3.23 -0.70 2.29 0.11 -0.87 -4.87 120.40 119.32 1beg s VAL 75 Ca 0.03 0.86 -0.27 0.00 -2.93 0.00 0.00 61.98 59.67 1beg s VAL 75 Cb -0.13 -3.40 0.02 0.00 -1.53 0.00 0.00 36.38 31.34 1beg s VAL 75 CO 0.03 -0.08 1.44 -2.16 -3.33 0.00 0.00 175.10 171.00 1beg s PRO 76 N -2.92 3.04 0.00 1.54 0.04 -1.26 -4.23 135.00 131.21 1beg s PRO 76 Ca 0.66 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1beg s PRO 76 Cb -0.25 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1beg s PRO 76 CO 0.30 -2.30 0.00 -2.37 0.04 0.00 0.00 177.00 172.67 1beg n THR 77 N 6.61 0.00 -0.03 1.26 5.66 -1.26 -4.86 114.28 121.66 1beg n THR 77 Ca 0.08 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.93 1beg n THR 77 Cb 0.50 -0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 68.51 1beg n THR 77 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1beg h SER 78 N 0.00 0.37 0.00 1.09 0.87 -1.75 -3.49 113.55 110.64 1beg h SER 78 Ca 0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 1beg h SER 78 Cb 0.37 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1beg h SER 78 CO 0.00 0.97 0.00 0.61 -0.53 0.00 0.00 176.83 177.88 1beg n GLY 79 N 0.73 1.21 3.32 5.77 0.00 -1.26 -4.74 105.19 110.21 1beg n GLY 79 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.86 0.03 0.99 1.98 -1.26 -5.04 118.68 116.24 1beg s LEU 80 Ca 0.00 -0.63 -0.06 0.00 -2.89 0.00 0.00 54.13 50.55 1beg s LEU 80 Cb 0.00 1.42 -0.05 0.00 0.66 0.00 0.00 46.19 48.22 1beg s LEU 80 CO 0.00 -0.86 0.28 -0.69 -1.89 0.00 0.00 176.35 173.19 1beg s VAL 81 N -3.89 5.28 -0.06 1.68 1.01 -1.26 -2.06 120.40 121.11 1beg s VAL 81 Ca 0.09 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1beg s VAL 81 Cb 0.03 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1beg s VAL 81 CO -0.06 0.31 0.13 -0.22 0.00 0.00 0.00 175.10 175.25 1beg s LEU 82 N -1.92 0.46 -0.62 3.92 2.96 -0.33 -4.87 118.68 118.28 1beg s LEU 82 Ca 0.30 0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.31 1beg s LEU 82 Cb -0.13 0.23 0.15 0.00 0.50 0.00 0.00 46.19 46.94 1beg s LEU 82 CO 0.18 -0.19 0.57 0.21 -1.32 0.00 0.00 176.35 175.81 1beg s ASN 83 N 1.61 6.34 0.55 3.68 3.84 -1.26 -0.77 114.94 128.93 1beg s ASN 83 Ca -0.04 -2.03 0.21 0.00 0.21 0.00 0.00 52.86 51.21 1beg s ASN 83 Cb -0.12 -2.21 1.48 0.00 -0.55 0.00 0.00 41.25 39.85 1beg s ASN 83 CO -0.05 -0.78 2.19 0.58 -2.79 0.00 0.00 177.10 176.24 1beg h VAL 84 N 5.59 0.82 0.35 -5.21 2.07 -1.94 0.24 116.25 118.17 1beg h VAL 84 Ca -0.19 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1beg h VAL 84 Cb 1.08 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1beg h VAL 84 CO 0.96 0.00 -0.17 0.22 0.02 0.00 0.00 177.57 178.61 1beg h TYR 85 N 0.00 -0.44 -0.42 1.57 3.20 -1.79 -3.25 116.97 115.84 1beg h TYR 85 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1beg h TYR 85 Cb 0.01 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1beg h TYR 85 CO 0.00 -0.27 0.12 1.03 -1.64 0.00 0.00 178.16 177.39 1beg h SER 86 N -0.96 0.57 0.18 -2.11 0.87 -1.88 -2.92 113.55 107.30 1beg h SER 86 Ca -0.05 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1beg h SER 86 Cb 0.36 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1beg h SER 86 CO 0.08 0.56 -0.51 0.22 -0.53 0.00 0.00 176.83 176.64 1beg h TYR 87 N 0.61 -1.47 0.67 2.24 3.20 -0.63 -1.13 116.97 120.45 1beg h TYR 87 Ca 0.14 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1beg h TYR 87 Cb 0.21 0.62 0.01 0.00 1.54 0.00 0.00 36.73 39.10 1beg h TYR 87 CO 0.01 -0.60 -0.32 0.00 -1.64 0.00 0.00 178.16 175.60 1beg h ALA 88 N -0.54 -0.90 -0.38 1.82 0.00 -1.58 -2.74 119.26 114.94 1beg h ALA 88 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1beg h ALA 88 Cb 0.77 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1beg h ALA 88 CO -0.25 -0.96 0.26 -0.91 0.00 0.00 0.00 179.25 177.39 1beg h ASN 89 N -0.99 0.39 0.17 0.00 -0.26 -1.54 -3.12 115.58 110.24 1beg h ASN 89 Ca -0.09 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 1beg h ASN 89 Cb 0.72 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1beg h ASN 89 CO 0.15 0.28 -0.08 1.23 -1.06 0.00 0.00 177.43 177.95 1beg h GLY 90 N 0.46 -0.24 -0.63 2.83 0.00 -1.22 -3.34 103.07 100.93 1beg h GLY 90 Ca 0.15 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.63 1beg h GLY 90 CO -0.03 -0.09 -0.51 -2.75 0.00 0.00 0.00 176.54 173.16 1beg h PHE 91 N -0.74 -1.60 -0.03 5.60 3.04 -1.41 -0.86 116.94 120.94 1beg h PHE 91 Ca -0.02 0.09 0.01 0.00 3.98 0.00 0.00 57.97 62.03 1beg h PHE 91 Cb 0.51 0.78 -0.02 0.00 2.56 0.00 0.00 35.95 39.79 1beg h PHE 91 CO 0.07 -0.38 -0.05 0.77 -2.02 0.00 0.00 178.31 176.70 1beg h SER 92 N -0.17 -0.15 -0.13 0.41 0.02 -1.74 -0.05 113.55 111.74 1beg h SER 92 Ca 0.10 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1beg h SER 92 Cb 0.44 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1beg h SER 92 CO -0.68 -0.08 0.05 0.78 -1.14 0.00 0.00 176.83 175.76 1beg h ASN 93 N -0.08 0.07 -0.50 3.07 2.35 -1.65 -0.72 115.58 118.12 1beg h ASN 93 Ca 0.03 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1beg h ASN 93 Cb 0.12 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1beg h ASN 93 CO -0.07 0.06 0.28 0.11 -1.65 0.00 0.00 177.43 176.15 1beg h LYS 94 N 0.12 0.70 -0.50 0.81 1.79 -1.10 -2.63 116.57 115.76 1beg h LYS 94 Ca 0.05 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1beg h LYS 94 Cb 0.02 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 1beg h LYS 94 CO -0.05 0.55 0.26 0.00 -1.08 0.00 0.00 179.45 179.13 1beg h SER 96 N 0.51 0.59 1.60 0.00 0.87 -0.79 -2.18 113.55 114.15 1beg h SER 96 Ca 0.22 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1beg h SER 96 Cb 0.11 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1beg h SER 96 CO -0.14 0.37 -0.08 0.28 -0.53 0.00 0.00 176.83 176.72 1beg h SER 97 N 0.72 0.00 -0.02 6.23 0.02 -1.14 -3.52 113.55 115.85 1beg h SER 97 Ca 0.33 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1beg h SER 97 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1beg h SER 97 CO -0.20 0.01 0.00 -0.11 -1.14 0.00 0.00 176.83 175.38