#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 0.64 -1.77 6.98 0.00 -1.03 -4.96 120.51 120.36 1beg n ALA 2 Ca 0.00 -0.59 -0.36 0.00 0.00 0.00 0.00 53.44 52.49 1beg n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.70 0.03 0.00 0.00 2.01 -1.26 -4.65 115.64 110.08 1beg s THR 4 Ca 0.69 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1beg s THR 4 Cb -0.25 -0.05 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1beg s THR 4 CO 0.29 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.20 1beg n ALA 5 N 2.98 0.00 0.22 7.40 0.00 -1.26 -2.20 120.51 127.65 1beg n ALA 5 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1beg n ALA 5 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 0.47 -0.69 0.00 1.03 -1.97 -0.85 112.91 110.90 1beg h THR 6 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 66.48 1beg h THR 6 Cb 0.00 0.47 -0.06 0.00 -1.07 0.00 0.00 68.15 67.49 1beg h THR 6 CO 0.00 0.00 0.36 1.56 -0.01 0.00 0.00 175.52 177.43 1beg h GLN 7 N -0.60 0.62 0.10 0.00 4.20 -1.83 0.54 115.11 118.14 1beg h GLN 7 Ca -0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1beg h GLN 7 Cb 0.51 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1beg h GLN 7 CO 0.01 0.41 -0.05 0.37 -0.67 0.00 0.00 178.83 178.90 1beg h GLN 8 N 0.64 -0.13 0.00 1.46 4.15 -1.64 -2.72 115.11 116.88 1beg h GLN 8 Ca 0.32 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.75 1beg h GLN 8 Cb 0.28 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1beg h GLN 8 CO -0.23 0.26 -0.03 0.00 -1.93 0.00 0.00 178.83 176.91 1beg h THR 9 N -0.55 0.12 0.11 2.39 1.03 -0.99 -1.24 112.91 113.78 1beg h THR 9 Ca -0.01 -0.33 -0.01 0.00 -0.01 0.00 0.00 66.41 66.05 1beg h THR 9 Cb 0.45 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 1beg h THR 9 CO 0.02 0.03 -0.05 0.00 -0.01 0.00 0.00 175.52 175.51 1beg h ALA 10 N 1.97 -0.14 -0.60 0.00 0.00 -0.72 0.41 119.26 120.18 1beg h ALA 10 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1beg h ALA 10 Cb 0.28 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1beg h ALA 10 CO 0.00 -0.37 0.25 0.00 0.00 0.00 0.00 179.25 179.14 1beg h ALA 11 N 0.26 0.78 0.06 0.00 0.00 -1.08 -2.77 119.26 116.52 1beg h ALA 11 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1beg h ALA 11 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1beg h ALA 11 CO 0.02 -0.14 -0.05 1.88 0.00 0.00 0.00 179.25 180.97 1beg h TYR 12 N 0.46 -0.12 -0.68 0.00 0.05 -1.01 -2.58 116.97 113.10 1beg h TYR 12 Ca 0.29 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.24 1beg h TYR 12 Cb 0.31 0.05 -0.13 0.00 1.01 0.00 0.00 36.73 37.97 1beg h TYR 12 CO -0.14 -0.06 -0.05 1.17 -1.05 0.00 0.00 178.16 178.02 1beg n LYS 13 N -2.47 -0.06 0.00 4.88 4.81 0.11 0.29 118.16 125.73 1beg n LYS 13 Ca -0.01 1.03 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1beg n LYS 13 Cb 0.04 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1beg n LYS 13 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1beg n THR 14 N -4.97 0.00 0.06 3.15 -1.04 -1.07 -1.92 114.28 108.49 1beg n THR 14 Ca 0.14 1.04 -0.09 0.00 -2.04 0.00 0.00 64.05 63.11 1beg n THR 14 Cb 0.46 -1.96 -0.05 0.00 -1.82 0.00 0.00 70.33 66.95 1beg n THR 14 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1beg h LEU 15 N 0.00 -0.84 -0.82 -4.42 5.85 -0.97 -2.72 115.31 111.40 1beg h LEU 15 Ca 0.00 0.09 0.19 0.00 0.84 0.00 0.00 57.88 59.00 1beg h LEU 15 Cb 0.00 0.31 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 1beg h LEU 15 CO 0.00 -0.29 0.27 0.58 -0.34 0.00 0.00 178.44 178.66 1beg h VAL 16 N -0.39 0.49 -0.98 1.05 2.07 -0.34 0.79 116.25 118.93 1beg h VAL 16 Ca -0.00 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1beg h VAL 16 Cb 0.40 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 1beg h VAL 16 CO -0.15 0.06 0.62 -1.28 0.02 0.00 0.00 177.57 176.83 1beg h SER 17 N 0.33 0.92 0.00 0.57 0.87 -1.09 -3.37 113.55 111.79 1beg h SER 17 Ca 0.48 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1beg h SER 17 Cb 0.87 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1beg h SER 17 CO -0.53 0.52 0.00 -0.38 -0.53 0.00 0.00 176.83 175.91 1beg n ILE 18 N -4.61 0.00 0.00 2.23 5.41 0.27 -4.74 119.36 117.92 1beg n ILE 18 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1beg n ILE 18 Cb 0.30 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 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 -2.63 1.39 4.77 -1.19 -4.05 117.00 115.29 1beg n LEU 19 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1beg n LEU 19 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1beg n LEU 19 CO 0.00 0.00 0.01 -0.24 -1.33 0.00 0.00 177.39 175.83 1beg n SER 20 N 0.67 2.37 -4.81 -1.43 2.88 -1.26 -4.91 113.62 107.13 1beg n SER 20 Ca 0.00 -2.60 -0.26 0.00 -1.33 0.00 0.00 58.87 54.68 1beg n SER 20 Cb 0.00 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 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 -3.60 5.57 0.39 -3.46 -1.08 -1.26 -5.00 116.67 108.23 1beg s ASP 21 Ca 0.33 -0.11 0.12 0.00 -0.52 0.00 0.00 52.55 52.36 1beg s ASP 21 Cb 0.37 -1.47 0.92 0.00 -1.46 0.00 0.00 42.92 41.29 1beg s ASP 21 CO -0.02 0.06 1.91 0.00 0.52 0.00 0.00 175.17 177.64 1beg h ALA 22 N 2.37 1.95 0.49 3.66 0.00 -1.98 -0.77 119.26 124.98 1beg h ALA 22 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1beg h ALA 22 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1beg h ALA 22 CO 0.63 -0.16 -0.23 1.03 0.00 0.00 0.00 179.25 180.52 1beg h SER 23 N 0.56 -0.55 -0.02 0.00 0.87 -1.95 -2.33 113.55 110.13 1beg h SER 23 Ca 0.39 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1beg h SER 23 Cb 0.72 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1beg h SER 23 CO -0.15 -0.16 -0.22 0.15 -0.53 0.00 0.00 176.83 175.92 1beg h PHE 24 N -1.05 0.45 -0.30 2.24 3.57 -1.88 -2.77 116.94 117.20 1beg h PHE 24 Ca -0.07 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1beg h PHE 24 Cb 0.58 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1beg h PHE 24 CO 0.01 0.61 0.10 -0.97 -2.23 0.00 0.00 178.31 175.83 1beg h ASN 25 N 0.37 0.42 0.71 0.41 -1.24 -1.21 -2.52 115.58 112.52 1beg h ASN 25 Ca 0.06 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 1beg h ASN 25 Cb 0.60 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1beg h ASN 25 CO 0.04 0.50 -0.49 1.56 -1.29 0.00 0.00 177.43 177.75 1beg h GLN 26 N 0.32 -1.11 -0.19 6.67 1.08 -1.20 0.13 115.11 120.82 1beg h GLN 26 Ca 0.10 0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.43 1beg h GLN 26 Cb 0.22 0.25 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 1beg h GLN 26 CO -0.00 -0.74 -0.33 0.00 -0.95 0.00 0.00 178.83 176.81 1beg h SER 28 N -0.37 0.83 0.38 0.00 0.02 -1.41 -0.13 113.55 112.86 1beg h SER 28 Ca 0.11 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1beg h SER 28 Cb 0.55 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1beg h SER 28 CO -0.39 0.47 -0.31 0.74 -1.14 0.00 0.00 176.83 176.20 1beg h THR 29 N 0.90 1.13 -0.33 -2.27 2.02 0.11 -2.67 112.91 111.81 1beg h THR 29 Ca 0.43 -1.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 1beg h THR 29 Cb 0.44 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1beg h THR 29 CO -0.19 0.31 -0.34 0.44 0.37 0.00 0.00 175.52 176.10 1beg h ASP 30 N 0.00 0.86 -1.19 4.18 3.32 0.58 -3.49 116.42 120.69 1beg h ASP 30 Ca -0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1beg h ASP 30 Cb 0.59 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1beg h ASP 30 CO 0.04 1.16 0.00 -0.24 -1.72 0.00 0.00 179.24 178.48 1beg n SER 31 N -4.17 -0.79 0.00 6.45 2.88 -1.01 -5.08 113.62 111.90 1beg n SER 31 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1beg n SER 31 Cb 0.51 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1beg n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1beg n GLY 32 N -0.21 0.00 3.64 0.46 0.00 -1.26 -4.92 105.19 102.90 1beg n GLY 32 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.80 -0.50 -1.10 1.61 5.04 -1.26 -4.89 117.35 114.45 1beg s TYR 33 Ca 0.00 1.04 -0.14 0.00 -2.44 0.00 0.00 57.07 55.53 1beg s TYR 33 Cb 0.00 0.34 0.18 0.00 0.35 0.00 0.00 41.96 42.83 1beg s TYR 33 CO 0.00 -0.25 1.26 -1.54 -1.34 0.00 0.00 175.55 173.68 1beg s SER 34 N 1.05 6.98 0.57 4.32 1.04 -1.26 -4.66 113.70 121.73 1beg s SER 34 Ca -0.06 -2.83 0.29 0.00 0.48 0.00 0.00 55.95 53.83 1beg s SER 34 Cb -0.04 -2.36 1.60 0.00 0.10 0.00 0.00 66.02 65.33 1beg s SER 34 CO -0.13 -0.74 1.89 -0.03 0.98 0.00 0.00 173.24 175.21 1beg h MET 35 N 7.53 0.00 0.00 4.02 4.05 -1.99 -2.41 114.93 126.14 1beg h MET 35 Ca 0.24 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.44 1beg h MET 35 Cb 0.92 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.68 1beg h MET 35 CO 1.14 0.00 -1.61 1.47 0.23 0.00 0.00 176.91 178.14 1beg n LEU 36 N -2.71 0.77 -0.04 3.39 -0.00 -1.26 -4.59 117.00 112.55 1beg n LEU 36 Ca -0.02 0.35 -0.04 0.00 -0.00 0.00 0.00 56.01 56.30 1beg n LEU 36 Cb 0.26 0.14 -0.08 0.00 -0.00 0.00 0.00 43.42 43.74 1beg n LEU 36 CO 0.13 0.25 -0.80 1.07 -0.00 0.00 0.00 177.39 178.04 1beg n THR 37 N -2.91 0.61 -4.21 1.47 5.66 -1.15 -4.76 114.28 108.98 1beg n THR 37 Ca -0.14 -0.40 -0.34 0.00 -3.05 0.00 0.00 64.05 60.11 1beg n THR 37 Cb 0.93 -0.63 -0.10 0.00 -1.55 0.00 0.00 70.33 68.98 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1beg s ALA 38 N -2.30 3.26 -0.06 1.79 0.00 -0.92 -2.11 121.76 121.42 1beg s ALA 38 Ca -0.05 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.29 1beg s ALA 38 Cb 0.03 -1.70 -0.23 0.00 0.00 0.00 0.00 23.12 21.22 1beg s ALA 38 CO 0.41 0.30 0.26 1.63 0.00 0.00 0.00 175.76 178.36 1beg n LYS 39 N 3.18 0.82 -1.96 0.00 4.01 -1.26 -4.34 118.16 118.60 1beg n LYS 39 Ca -0.17 -0.10 -0.42 0.00 -0.51 0.00 0.00 58.31 57.10 1beg n LYS 39 Cb 0.53 -1.38 -0.03 0.00 -0.51 0.00 0.00 35.03 33.64 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1beg s ALA 40 N -2.88 3.73 0.47 7.82 0.00 -1.26 -4.98 121.76 124.66 1beg s ALA 40 Ca -0.06 1.35 -0.24 0.00 0.00 0.00 0.00 51.96 53.01 1beg s ALA 40 Cb 0.08 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 1beg s ALA 40 CO 0.65 -0.77 1.28 1.28 0.00 0.00 0.00 175.76 178.20 1beg n LEU 41 N 3.47 4.44 -4.69 0.00 4.77 -1.26 -5.01 117.00 118.71 1beg n LEU 41 Ca 0.12 1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 56.86 1beg n LEU 41 Cb 0.39 -1.52 0.17 0.00 -2.33 0.00 0.00 43.42 40.14 1beg n LEU 41 CO 0.61 -0.70 0.65 -2.16 -1.33 0.00 0.00 177.39 174.46 1beg s PRO 42 N -2.44 0.51 0.18 3.23 0.04 -1.26 -5.08 135.00 130.18 1beg s PRO 42 Ca 0.65 0.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 1beg s PRO 42 Cb -0.47 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1beg s PRO 42 CO 0.55 -2.67 0.48 0.99 0.04 0.00 0.00 177.00 176.39 1beg s THR 43 N -3.03 5.02 0.37 1.26 2.01 -1.26 -4.95 115.64 115.06 1beg s THR 43 Ca 0.65 0.35 0.16 0.00 0.31 0.00 0.00 61.69 63.16 1beg s THR 43 Cb -0.18 -3.63 0.37 0.00 0.01 0.00 0.00 72.50 69.07 1beg s THR 43 CO 0.57 0.02 1.73 0.00 -0.69 0.00 0.00 174.62 176.25 1beg h THR 44 N 2.15 0.46 0.20 -0.82 1.03 -1.98 0.32 112.91 114.28 1beg h THR 44 Ca -0.47 -0.14 -0.01 0.00 -0.01 0.00 0.00 66.41 65.78 1beg h THR 44 Cb 1.17 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1beg h THR 44 CO 0.70 0.08 -0.10 0.00 -0.01 0.00 0.00 175.52 176.19 1beg h ALA 45 N 1.68 -0.27 -0.29 0.00 0.00 -2.00 -1.91 119.26 116.47 1beg h ALA 45 Ca 0.65 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 1beg h ALA 45 Cb 1.55 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1beg h ALA 45 CO -0.40 -0.54 -0.13 1.96 0.00 0.00 0.00 179.25 180.13 1beg h GLN 46 N -0.50 0.49 0.85 0.00 4.20 -1.71 -2.74 115.11 115.71 1beg h GLN 46 Ca -0.03 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 1beg h GLN 46 Cb 0.37 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1beg h GLN 46 CO 0.05 0.62 -0.47 1.88 -0.67 0.00 0.00 178.83 180.23 1beg h TYR 47 N 0.45 -1.24 -0.44 2.96 0.05 -0.75 -0.86 116.97 117.14 1beg h TYR 47 Ca 0.08 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.89 1beg h TYR 47 Cb 0.50 0.43 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 1beg h TYR 47 CO 0.02 -0.73 0.19 1.57 -1.05 0.00 0.00 178.16 178.16 1beg h LYS 48 N -1.22 0.37 -0.82 4.88 2.10 -1.34 -0.80 116.57 119.74 1beg h LYS 48 Ca -0.11 -0.02 0.08 0.00 -2.00 0.00 0.00 60.65 58.60 1beg h LYS 48 Cb 0.96 -0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 32.14 1beg h LYS 48 CO 0.15 0.25 0.48 -0.07 -2.00 0.00 0.00 179.45 178.26 1beg h LEU 49 N 0.38 0.71 -0.01 7.07 3.38 -1.41 -2.97 115.31 122.47 1beg h LEU 49 Ca 0.20 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 1beg h LEU 49 Cb 0.15 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.81 1beg h LEU 49 CO -0.17 0.42 -0.84 0.24 0.09 0.00 0.00 178.44 178.19 1beg h MET 50 N 0.83 0.58 -1.11 1.13 2.86 -0.67 -3.34 114.93 115.21 1beg h MET 50 Ca 0.39 -0.62 0.31 0.00 -2.06 0.00 0.00 59.70 57.72 1beg h MET 50 Cb 0.30 0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 1beg h MET 50 CO -0.22 1.23 0.75 0.00 1.06 0.00 0.00 176.91 179.73 1beg h ALA 52 N 1.54 1.58 -2.47 0.00 0.00 -1.68 -3.44 119.26 114.79 1beg h ALA 52 Ca 0.60 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.85 1beg h ALA 52 Cb 1.87 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.56 1beg h ALA 52 CO -0.20 0.32 0.91 0.45 0.00 0.00 0.00 179.25 180.73 1beg s SER 53 N -6.79 6.67 0.22 0.00 0.15 -0.45 -4.94 113.70 108.56 1beg s SER 53 Ca -0.07 2.42 -0.04 0.00 0.70 0.00 0.00 55.95 58.96 1beg s SER 53 Cb 0.16 -2.57 0.21 0.00 -1.71 0.00 0.00 66.02 62.11 1beg s SER 53 CO 0.74 -0.82 1.64 0.00 1.20 0.00 0.00 173.24 176.00 1beg h THR 54 N 4.62 1.27 0.28 6.45 1.03 -1.87 -3.23 112.91 121.46 1beg h THR 54 Ca -0.42 -1.32 0.00 0.00 -0.01 0.00 0.00 66.41 64.66 1beg h THR 54 Cb 1.20 1.21 -0.04 0.00 -1.07 0.00 0.00 68.15 69.45 1beg h THR 54 CO 0.91 0.44 -0.50 0.00 -0.01 0.00 0.00 175.52 176.36 1beg h ALA 55 N 1.10 -1.01 -0.86 0.00 0.00 -1.92 -1.40 119.26 115.16 1beg h ALA 55 Ca 0.09 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1beg h ALA 55 Cb 0.72 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 1beg h ALA 55 CO 0.06 -1.13 0.50 0.00 0.00 0.00 0.00 179.25 178.68 1beg h ASN 57 N 0.83 0.50 -0.34 0.00 2.35 -1.51 -1.07 115.58 116.34 1beg h ASN 57 Ca 0.42 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1beg h ASN 57 Cb 0.39 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1beg h ASN 57 CO -0.25 0.56 0.13 0.74 -1.65 0.00 0.00 177.43 176.96 1beg h THR 58 N 0.42 1.19 -0.09 2.81 2.02 -0.82 -1.36 112.91 117.08 1beg h THR 58 Ca 0.11 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1beg h THR 58 Cb 0.23 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1beg h THR 58 CO -0.01 0.20 -0.32 0.24 0.37 0.00 0.00 175.52 176.00 1beg h MET 59 N 0.40 -0.32 0.16 6.66 2.07 -0.82 -0.07 114.93 123.01 1beg h MET 59 Ca 0.11 0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.76 1beg h MET 59 Cb 0.19 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1beg h MET 59 CO -0.01 -0.21 -0.08 0.82 1.07 0.00 0.00 176.91 178.50 1beg h ILE 60 N -0.33 0.97 -0.98 -1.22 2.04 -1.23 -2.64 117.51 114.11 1beg h ILE 60 Ca 0.02 -0.69 0.16 0.00 1.00 0.00 0.00 64.86 65.35 1beg h ILE 60 Cb 0.40 1.39 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 1beg h ILE 60 CO -0.27 0.16 0.61 0.11 0.00 0.00 0.00 178.15 178.77 1beg h LYS 61 N -0.56 0.78 -0.08 2.37 1.57 -1.25 -0.18 116.57 119.22 1beg h LYS 61 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1beg h LYS 61 Cb 0.43 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1beg h LYS 61 CO 0.04 0.51 0.03 -0.22 -0.57 0.00 0.00 179.45 179.24 1beg h LYS 62 N 0.80 0.12 -0.80 3.15 3.64 -0.95 -1.06 116.57 121.46 1beg h LYS 62 Ca 0.52 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1beg h LYS 62 Cb 0.77 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1beg h LYS 62 CO -0.30 0.27 0.47 0.82 -2.27 0.00 0.00 179.45 178.45 1beg h ILE 63 N -0.05 1.22 -0.12 2.00 1.08 -0.86 -1.76 117.51 119.02 1beg h ILE 63 Ca 0.03 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1beg h ILE 63 Cb 0.20 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 1beg h ILE 63 CO -0.00 0.24 0.01 0.58 -0.69 0.00 0.00 178.15 178.29 1beg h VAL 64 N 1.10 1.23 -0.49 1.67 2.07 -0.84 -2.82 116.25 118.18 1beg h VAL 64 Ca 0.29 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1beg h VAL 64 Cb -0.03 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1beg h VAL 64 CO -0.05 0.21 0.33 0.71 0.02 0.00 0.00 177.57 178.78 1beg h THR 65 N -0.05 1.10 -0.41 2.57 1.35 -0.84 -2.05 112.91 114.60 1beg h THR 65 Ca 0.03 -0.22 -0.05 0.00 -0.55 0.00 0.00 66.41 65.63 1beg h THR 65 Cb 0.31 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.13 1beg h THR 65 CO 0.00 0.12 0.03 -0.07 -0.25 0.00 0.00 175.52 175.35 1beg h LEU 66 N 0.63 0.59 -2.30 3.87 3.38 -1.08 -3.49 115.31 116.92 1beg h LEU 66 Ca 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1beg h LEU 66 Cb -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1beg h LEU 66 CO -0.04 0.64 -0.45 -3.20 0.09 0.00 0.00 178.44 175.48 1beg n ASN 67 N -4.27 -7.87 -4.83 -0.43 2.85 -0.77 -5.03 115.26 94.90 1beg n ASN 67 Ca 0.02 0.47 -0.31 0.00 -0.11 0.00 0.00 54.58 54.66 1beg n ASN 67 Cb 0.25 -5.34 0.04 0.00 1.24 0.00 0.00 39.78 35.97 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 -2.63 3.02 0.11 1.20 0.04 -1.26 -5.02 135.00 130.47 1beg s PRO 68 Ca 0.22 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 1beg s PRO 68 Cb -0.06 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1beg s PRO 68 CO 0.76 -1.01 1.37 -1.25 0.04 0.00 0.00 177.00 176.91 1beg s PRO 69 N -5.10 4.33 -0.18 0.56 0.04 -1.26 -4.81 135.00 128.58 1beg s PRO 69 Ca 0.58 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 1beg s PRO 69 Cb -0.13 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 1beg s PRO 69 CO 0.55 -0.42 2.18 0.54 0.04 0.00 0.00 177.00 179.89 1beg s ASN 70 N 1.08 5.60 -0.07 6.66 2.20 -1.26 -4.65 114.94 124.50 1beg s ASN 70 Ca 0.64 2.01 -0.32 0.00 -0.94 0.00 0.00 52.86 54.25 1beg s ASN 70 Cb -0.36 -2.51 0.12 0.00 -2.00 0.00 0.00 41.25 36.49 1beg s ASN 70 CO 0.30 -1.83 1.16 0.00 -2.94 0.00 0.00 177.10 173.79 1beg s ASP 72 N -2.55 4.13 0.06 0.00 1.11 -1.26 -3.76 116.67 114.39 1beg s ASP 72 Ca 0.10 -0.30 0.06 0.00 0.18 0.00 0.00 52.55 52.60 1beg s ASP 72 Cb 0.01 -1.64 -0.03 0.00 1.07 0.00 0.00 42.92 42.33 1beg s ASP 72 CO -0.04 0.16 -0.18 -1.48 1.18 0.00 0.00 175.17 174.82 1beg s LEU 73 N 0.36 2.20 0.15 1.23 -0.00 -0.10 -2.47 118.68 120.05 1beg s LEU 73 Ca -0.10 -0.54 -0.13 0.00 -0.00 0.00 0.00 54.13 53.36 1beg s LEU 73 Cb -0.16 -0.77 -0.07 0.00 -0.00 0.00 0.00 46.19 45.20 1beg s LEU 73 CO 0.05 0.07 0.53 0.42 -0.00 0.00 0.00 176.35 177.42 1beg s THR 74 N -0.93 4.89 -0.16 5.48 -4.23 -1.26 -1.84 115.64 117.60 1beg s THR 74 Ca 0.04 0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1beg s THR 74 Cb -0.09 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 1beg s THR 74 CO 0.02 0.21 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.51 1beg s VAL 75 N -1.49 2.99 0.06 2.29 1.01 -0.14 -4.99 120.40 120.12 1beg s VAL 75 Ca 0.38 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1beg s VAL 75 Cb -0.14 -2.28 -0.30 0.00 0.00 0.00 0.00 36.38 33.66 1beg s VAL 75 CO 0.19 0.50 1.10 1.55 0.00 0.00 0.00 175.10 178.45 1beg h PRO 76 N 7.18 0.55 0.93 2.72 0.13 -1.95 -0.78 132.00 140.79 1beg h PRO 76 Ca -0.31 -0.79 -0.05 0.00 -0.87 0.00 0.00 66.00 63.98 1beg h PRO 76 Cb 1.19 0.27 0.01 0.00 0.13 0.00 0.00 31.00 32.60 1beg h PRO 76 CO 0.57 1.36 -0.45 0.00 -0.23 0.00 0.00 178.00 179.25 1beg h THR 77 N 0.22 0.00 -0.06 1.56 1.03 -1.91 -3.26 112.91 110.50 1beg h THR 77 Ca -0.19 -0.09 -0.20 0.00 -0.01 0.00 0.00 66.41 65.92 1beg h THR 77 Cb 1.96 0.00 0.01 0.00 -1.07 0.00 0.00 68.15 69.05 1beg h THR 77 CO 0.24 0.00 -0.73 -1.28 -0.01 0.00 0.00 175.52 173.73 1beg h SER 78 N -1.34 0.75 0.00 0.00 0.87 -1.60 -3.48 113.55 108.76 1beg h SER 78 Ca -0.13 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1beg h SER 78 Cb 0.96 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1beg h SER 78 CO 0.21 1.34 0.00 0.61 -0.53 0.00 0.00 176.83 178.46 1beg n GLY 79 N 0.89 1.18 3.56 5.77 0.00 -0.31 -4.82 105.19 111.47 1beg n GLY 79 Ca -0.09 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 2.72 -0.21 0.99 2.96 -1.14 -4.92 118.68 119.08 1beg s LEU 80 Ca 0.00 -1.30 -0.03 0.00 -0.22 0.00 0.00 54.13 52.58 1beg s LEU 80 Cb 0.00 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 1beg s LEU 80 CO 0.00 -0.38 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.91 1beg s VAL 81 N -2.77 3.39 0.09 1.68 1.01 -1.26 -0.97 120.40 121.57 1beg s VAL 81 Ca 0.34 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1beg s VAL 81 Cb 0.07 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1beg s VAL 81 CO 0.17 0.44 -0.10 -0.22 0.00 0.00 0.00 175.10 175.39 1beg s LEU 82 N 1.28 2.39 0.00 3.92 2.96 -0.77 -4.98 118.68 123.49 1beg s LEU 82 Ca 0.03 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1beg s LEU 82 Cb -0.14 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.28 1beg s LEU 82 CO -0.02 -0.27 0.00 -3.20 -1.32 0.00 0.00 176.35 171.54 1beg n ASN 83 N 0.64 0.00 0.00 3.68 2.85 -1.26 -0.92 115.26 120.25 1beg n ASN 83 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1beg n ASN 83 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1beg n ASN 83 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1beg n VAL 84 N 0.00 0.00 0.22 3.44 0.31 -1.25 -4.41 118.33 116.64 1beg n VAL 84 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1beg n VAL 84 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.50 0.00 3.52 3.20 -1.82 -2.62 116.97 118.75 1beg h TYR 85 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1beg h TYR 85 Cb 0.00 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1beg h TYR 85 CO 0.00 -0.31 -0.40 0.77 -1.64 0.00 0.00 178.16 176.58 1beg h SER 86 N -0.52 0.00 0.33 -2.11 0.02 -1.92 -2.88 113.55 106.47 1beg h SER 86 Ca -0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1beg h SER 86 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1beg h SER 86 CO 0.07 0.40 -0.28 0.22 -1.14 0.00 0.00 176.83 176.10 1beg h TYR 87 N 0.00 -0.78 -0.47 3.45 3.20 -1.82 -0.21 116.97 120.34 1beg h TYR 87 Ca -0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1beg h TYR 87 Cb 0.79 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1beg h TYR 87 CO 0.00 -0.39 -0.09 0.00 -1.64 0.00 0.00 178.16 176.04 1beg h ALA 88 N -1.34 0.96 -0.31 1.82 0.00 -1.63 -2.68 119.26 116.08 1beg h ALA 88 Ca -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1beg h ALA 88 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1beg h ALA 88 CO -0.01 0.61 0.05 -0.97 0.00 0.00 0.00 179.25 178.94 1beg h ASN 89 N 0.76 0.50 -0.38 0.00 -0.73 -1.49 -3.26 115.58 110.97 1beg h ASN 89 Ca 0.13 -0.26 -0.09 0.00 1.87 0.00 0.00 56.30 57.95 1beg h ASN 89 Cb 0.59 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1beg h ASN 89 CO 0.04 0.63 -0.10 1.23 -0.37 0.00 0.00 177.43 178.86 1beg h GLY 90 N 0.34 0.80 0.08 1.57 0.00 -1.01 -3.28 103.07 101.56 1beg h GLY 90 Ca 0.09 -0.66 0.05 0.00 0.00 0.00 0.00 47.33 46.81 1beg h GLY 90 CO 0.01 0.61 -0.36 -2.75 0.00 0.00 0.00 176.54 174.05 1beg h PHE 91 N 0.54 -1.00 0.77 5.60 3.04 -1.52 -2.42 116.94 121.95 1beg h PHE 91 Ca 0.10 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 1beg h PHE 91 Cb 0.62 0.46 -0.00 0.00 2.56 0.00 0.00 35.95 39.59 1beg h PHE 91 CO 0.05 -0.43 -0.47 0.66 -2.02 0.00 0.00 178.31 176.11 1beg h SER 92 N -0.42 -1.18 -0.36 0.41 4.64 -1.66 0.57 113.55 115.55 1beg h SER 92 Ca 0.09 0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1beg h SER 92 Cb 0.58 0.34 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 1beg h SER 92 CO -0.38 -0.72 0.10 -0.55 -0.87 0.00 0.00 176.83 174.40 1beg h ASN 93 N -1.16 0.08 0.29 4.97 -1.07 -1.61 -0.73 115.58 116.34 1beg h ASN 93 Ca -0.10 0.05 -0.13 0.00 0.07 0.00 0.00 56.30 56.19 1beg h ASN 93 Cb 0.93 0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 37.22 1beg h ASN 93 CO 0.11 0.08 -0.51 0.07 0.07 0.00 0.00 177.43 177.24 1beg h LYS 94 N 0.24 0.26 -0.40 4.14 2.10 -1.46 -2.49 116.57 118.96 1beg h LYS 94 Ca 0.17 -0.15 -0.09 0.00 -2.00 0.00 0.00 60.65 58.58 1beg h LYS 94 Cb 0.17 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1beg h LYS 94 CO -0.20 0.71 -0.10 0.00 -2.00 0.00 0.00 179.45 177.87 1beg h SER 96 N 0.58 1.09 0.94 0.00 0.87 -1.03 -2.42 113.55 113.59 1beg h SER 96 Ca 0.10 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1beg h SER 96 Cb 0.62 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1beg h SER 96 CO 0.04 0.73 -0.50 -0.24 -0.53 0.00 0.00 176.83 176.34 1beg n SER 97 N -4.45 0.69 -0.70 6.23 2.88 -0.95 -5.11 113.62 112.21 1beg n SER 97 Ca 0.14 0.18 0.13 0.00 -1.33 0.00 0.00 58.87 57.99 1beg n SER 97 Cb 0.12 -0.01 0.33 0.00 -0.75 0.00 0.00 64.21 63.89 1beg n SER 97 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70