#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 0.00 -1.55 1.79 0.00 -1.25 -3.42 120.51 116.08 1beg n ALA 2 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1beg n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1beg n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1beg n THR 4 N 0.42 0.00 0.24 0.00 -2.24 -1.26 -4.72 114.28 106.72 1beg n THR 4 Ca 0.12 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1beg n THR 4 Cb 0.29 -1.46 -0.05 0.00 -2.10 0.00 0.00 70.33 67.01 1beg n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1beg h ALA 5 N -1.26 -1.14 -0.50 6.98 0.00 -1.99 -1.88 119.26 119.46 1beg h ALA 5 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1beg h ALA 5 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1beg h ALA 5 CO 0.00 -1.10 0.25 0.00 0.00 0.00 0.00 179.25 178.40 1beg h THR 6 N -0.64 1.19 0.01 0.00 1.03 -1.98 -1.77 112.91 110.76 1beg h THR 6 Ca -0.06 -0.53 0.03 0.00 -0.01 0.00 0.00 66.41 65.84 1beg h THR 6 Cb 0.50 0.61 -0.04 0.00 -1.07 0.00 0.00 68.15 68.15 1beg h THR 6 CO 0.09 0.21 -0.20 1.56 -0.01 0.00 0.00 175.52 177.17 1beg h GLN 7 N 0.67 -0.32 0.05 0.00 4.20 -1.94 -1.24 115.11 116.53 1beg h GLN 7 Ca 0.17 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1beg h GLN 7 Cb 0.10 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1beg h GLN 7 CO -0.02 -0.21 -0.02 0.37 -0.67 0.00 0.00 178.83 178.27 1beg h GLN 8 N -0.33 -0.07 0.00 1.46 4.15 -1.29 -2.71 115.11 116.32 1beg h GLN 8 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1beg h GLN 8 Cb 0.40 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1beg h GLN 8 CO -0.18 0.13 -0.06 0.00 -1.93 0.00 0.00 178.83 176.79 1beg h THR 9 N -0.25 0.53 -0.02 2.39 1.03 -1.23 0.60 112.91 115.96 1beg h THR 9 Ca -0.01 -0.28 -0.01 0.00 -0.01 0.00 0.00 66.41 66.11 1beg h THR 9 Cb 0.22 1.18 -0.00 0.00 -1.07 0.00 0.00 68.15 68.48 1beg h THR 9 CO 0.01 0.06 -0.03 0.00 -0.01 0.00 0.00 175.52 175.55 1beg h ALA 10 N 1.94 0.04 -0.27 0.00 0.00 -1.08 -2.64 119.26 117.25 1beg h ALA 10 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1beg h ALA 10 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1beg h ALA 10 CO 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 179.25 179.10 1beg h ALA 11 N 0.49 1.53 0.56 0.00 0.00 -1.07 -2.82 119.26 117.95 1beg h ALA 11 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1beg h ALA 11 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1beg h ALA 11 CO 0.01 0.35 -0.50 1.88 0.00 0.00 0.00 179.25 180.98 1beg h TYR 12 N 0.39 -1.38 -0.60 0.00 -1.99 -0.65 -0.66 116.97 112.09 1beg h TYR 12 Ca 0.09 0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.94 1beg h TYR 12 Cb 0.24 0.53 -0.08 0.00 2.00 0.00 0.00 36.73 39.41 1beg h TYR 12 CO 0.01 -0.68 0.13 -0.22 -0.00 0.00 0.00 178.16 177.40 1beg h LYS 13 N -1.05 0.26 0.51 4.88 3.64 -1.32 0.66 116.57 124.15 1beg h LYS 13 Ca -0.07 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1beg h LYS 13 Cb 0.89 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1beg h LYS 13 CO -0.03 0.17 -0.24 1.15 -2.27 0.00 0.00 179.45 178.23 1beg h THR 14 N 0.27 0.00 0.56 1.00 2.02 -1.24 -2.55 112.91 112.97 1beg h THR 14 Ca 0.31 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 1beg h THR 14 Cb 0.46 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1beg h THR 14 CO -0.40 0.00 -0.27 0.25 0.37 0.00 0.00 175.52 175.47 1beg h LEU 15 N -0.71 -0.64 -0.24 2.58 6.46 -1.06 -2.42 115.31 119.27 1beg h LEU 15 Ca -0.07 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.72 1beg h LEU 15 Cb 0.52 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1beg h LEU 15 CO 0.11 -0.40 -0.04 0.58 -0.62 0.00 0.00 178.44 178.08 1beg h VAL 16 N -0.85 0.79 -0.04 1.05 2.07 -1.02 -2.55 116.25 115.69 1beg h VAL 16 Ca -0.08 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1beg h VAL 16 Cb 0.62 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1beg h VAL 16 CO 0.13 0.00 -0.33 0.77 0.02 0.00 0.00 177.57 178.17 1beg h SER 17 N 0.03 0.08 -0.00 0.57 4.64 -1.52 -3.26 113.55 114.08 1beg h SER 17 Ca 0.11 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1beg h SER 17 Cb 0.17 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1beg h SER 17 CO -0.23 0.41 -0.03 -0.29 -0.87 0.00 0.00 176.83 175.82 1beg h ILE 18 N 0.07 0.91 0.00 0.95 -0.00 -0.99 -2.80 117.51 115.65 1beg h ILE 18 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 1beg h ILE 18 Cb 0.62 0.91 -0.00 0.00 -0.00 0.00 0.00 36.82 38.35 1beg h ILE 18 CO 0.05 0.00 -0.12 0.17 -0.00 0.00 0.00 178.15 178.25 1beg h LEU 19 N -0.06 0.00 -3.15 2.19 -0.00 -1.59 -2.83 115.31 109.87 1beg h LEU 19 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.76 1beg h LEU 19 Cb 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.66 1beg h LEU 19 CO -0.04 0.12 0.17 -1.54 -0.00 0.00 0.00 178.44 177.15 1beg n SER 20 N -3.51 4.28 -4.55 0.17 3.41 -1.06 -4.78 113.62 107.58 1beg n SER 20 Ca -0.01 -2.88 -0.25 0.00 -0.26 0.00 0.00 58.87 55.46 1beg n SER 20 Cb 0.26 -0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 63.42 1beg n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1beg s ASP 21 N -0.64 3.42 -0.03 4.04 2.15 -1.07 -5.04 116.67 119.50 1beg s ASP 21 Ca 0.42 -1.31 0.01 0.00 0.43 0.00 0.00 52.55 52.10 1beg s ASP 21 Cb 0.33 -0.30 0.07 0.00 -0.30 0.00 0.00 42.92 42.72 1beg s ASP 21 CO 0.11 -0.41 0.79 0.00 -0.17 0.00 0.00 175.17 175.49 1beg n ALA 22 N -0.83 2.69 -0.04 3.66 0.00 -1.26 -3.76 120.51 120.96 1beg n ALA 22 Ca -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 1beg n ALA 22 Cb 0.66 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 1beg n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1beg n SER 23 N 0.17 1.57 -0.18 0.00 2.88 -1.26 -4.30 113.62 112.49 1beg n SER 23 Ca 0.04 0.25 0.05 0.00 -1.33 0.00 0.00 58.87 57.88 1beg n SER 23 Cb 0.44 -0.60 0.33 0.00 -0.75 0.00 0.00 64.21 63.63 1beg n SER 23 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1beg h PHE 24 N -0.65 0.80 -0.31 0.66 3.57 -1.73 -2.54 116.94 116.75 1beg h PHE 24 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1beg h PHE 24 Cb 0.65 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1beg h PHE 24 CO -0.28 0.45 0.13 -0.91 -2.23 0.00 0.00 178.31 175.47 1beg h ASN 25 N 0.82 0.43 -0.59 0.41 4.21 -1.82 -0.69 115.58 118.34 1beg h ASN 25 Ca 0.30 -0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1beg h ASN 25 Cb 0.15 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 1beg h ASN 25 CO -0.09 0.47 0.33 -0.61 -1.29 0.00 0.00 177.43 176.24 1beg h GLN 26 N 0.36 0.82 -0.03 0.81 4.15 -1.65 -1.38 115.11 118.19 1beg h GLN 26 Ca 0.10 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.32 1beg h GLN 26 Cb 0.18 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.71 1beg h GLN 26 CO -0.01 0.62 -0.41 0.00 -1.93 0.00 0.00 178.83 177.11 1beg h SER 28 N -0.23 -0.06 -0.84 0.00 0.02 -1.08 -0.38 113.55 110.98 1beg h SER 28 Ca -0.04 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1beg h SER 28 Cb 1.11 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 1beg h SER 28 CO 0.08 -0.00 0.52 0.74 -1.14 0.00 0.00 176.83 177.03 1beg h THR 29 N 0.20 1.03 0.00 -2.27 2.02 -1.32 -3.36 112.91 109.21 1beg h THR 29 Ca 0.24 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1beg h THR 29 Cb 0.34 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1beg h THR 29 CO -0.34 0.17 0.00 0.47 0.37 0.00 0.00 175.52 176.19 1beg n ASP 30 N -4.64 0.00 -2.68 4.18 9.92 -0.63 -4.97 116.55 117.73 1beg n ASP 30 Ca 0.12 0.21 -0.04 0.00 -0.53 0.00 0.00 54.79 54.54 1beg n ASP 30 Cb 0.18 -0.20 0.05 0.00 -0.64 0.00 0.00 41.12 40.51 1beg n ASP 30 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1beg n SER 31 N -1.09 -1.62 -0.00 -2.24 2.88 -0.25 -5.02 113.62 106.28 1beg n SER 31 Ca 0.00 -1.64 0.04 0.00 -1.33 0.00 0.00 58.87 55.94 1beg n SER 31 Cb 0.00 0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 64.27 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 2.04 -0.29 0.64 0.46 0.00 -0.62 -4.28 105.19 103.13 1beg n GLY 32 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.71 -1.77 -2.23 1.61 9.36 -1.26 -4.74 117.16 116.42 1beg n TYR 33 Ca -0.01 0.95 -0.40 0.00 3.32 0.00 0.00 57.90 61.75 1beg n TYR 33 Cb 0.20 -1.94 -0.01 0.00 -0.63 0.00 0.00 39.34 36.96 1beg n TYR 33 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1beg n SER 34 N -1.26 4.26 -0.25 2.98 3.41 -1.26 -4.80 113.62 116.70 1beg n SER 34 Ca 0.00 -2.85 -0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1beg n SER 34 Cb 0.06 -1.69 0.21 0.00 -0.26 0.00 0.00 64.21 62.53 1beg n SER 34 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1beg h MET 35 N 7.59 1.06 0.00 4.33 4.05 -1.94 -2.95 114.93 127.07 1beg h MET 35 Ca 0.44 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.67 1beg h MET 35 Cb 0.82 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1beg h MET 35 CO 1.55 0.71 -0.53 1.37 0.23 0.00 0.00 176.91 180.25 1beg h LEU 36 N 1.08 0.00 -5.86 3.39 8.10 -2.00 -3.38 115.31 116.64 1beg h LEU 36 Ca 0.29 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.74 1beg h LEU 36 Cb -0.10 0.00 -0.41 0.00 -0.44 0.00 0.00 40.66 39.72 1beg h LEU 36 CO -0.06 0.53 -0.97 1.07 -4.11 0.00 0.00 178.44 174.90 1beg n THR 37 N -3.54 0.81 -3.62 0.15 5.66 -1.12 -4.71 114.28 107.92 1beg n THR 37 Ca -0.00 -4.77 -0.15 0.00 -3.05 0.00 0.00 64.05 56.07 1beg n THR 37 Cb 0.62 -1.17 -0.07 0.00 -1.55 0.00 0.00 70.33 68.15 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 -2.39 -1.64 -2.12 1.79 0.00 -1.18 -4.87 121.76 111.34 1beg s ALA 38 Ca 0.41 1.66 0.22 0.00 0.00 0.00 0.00 51.96 54.25 1beg s ALA 38 Cb 0.26 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1beg s ALA 38 CO -0.09 -0.33 1.09 0.36 0.00 0.00 0.00 175.76 176.79 1beg n LYS 39 N 2.16 1.42 -4.19 0.00 0.00 -1.26 -4.81 118.16 111.48 1beg n LYS 39 Ca -0.16 -1.12 -0.25 0.00 -0.00 0.00 0.00 58.31 56.78 1beg n LYS 39 Cb 0.56 -1.45 -0.17 0.00 -0.00 0.00 0.00 35.03 33.97 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 -2.34 1.24 0.96 0.58 0.00 -1.26 -4.92 121.76 116.02 1beg s ALA 40 Ca 0.19 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 1beg s ALA 40 Cb 0.18 -0.74 0.16 0.00 0.00 0.00 0.00 23.12 22.72 1beg s ALA 40 CO 0.51 -0.18 1.08 1.28 0.00 0.00 0.00 175.76 178.45 1beg n LEU 41 N 4.44 2.47 -4.74 0.00 4.77 -1.26 -4.97 117.00 117.71 1beg n LEU 41 Ca -0.17 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 1beg n LEU 41 Cb 0.51 -1.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.13 1beg n LEU 41 CO 0.20 -2.40 0.85 -2.16 -1.33 0.00 0.00 177.39 172.55 1beg s PRO 42 N -4.54 4.52 0.89 3.23 0.04 -1.26 -5.04 135.00 132.84 1beg s PRO 42 Ca 0.67 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 1beg s PRO 42 Cb -0.23 -3.26 0.13 0.00 0.04 0.00 0.00 34.50 31.18 1beg s PRO 42 CO 0.60 -0.05 1.13 0.95 0.04 0.00 0.00 177.00 179.67 1beg s THR 43 N -0.03 2.32 0.37 1.26 -4.23 -1.26 -4.72 115.64 109.34 1beg s THR 43 Ca 0.52 0.10 0.19 0.00 -1.18 0.00 0.00 61.69 61.32 1beg s THR 43 Cb -0.31 -2.22 0.37 0.00 1.34 0.00 0.00 72.50 71.67 1beg s THR 43 CO 0.36 -0.13 1.66 0.00 -0.54 0.00 0.00 174.62 175.96 1beg h THR 44 N -1.75 0.25 0.01 3.99 1.03 -1.99 -0.57 112.91 113.89 1beg h THR 44 Ca -0.44 -0.09 0.01 0.00 -0.01 0.00 0.00 66.41 65.89 1beg h THR 44 Cb 1.26 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 1beg h THR 44 CO 0.44 0.05 -0.07 0.00 -0.01 0.00 0.00 175.52 175.92 1beg h ALA 45 N 1.79 -0.08 0.00 0.00 0.00 -2.01 -1.67 119.26 117.30 1beg h ALA 45 Ca 0.75 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.62 1beg h ALA 45 Cb 1.90 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1beg h ALA 45 CO -0.56 -0.57 -0.23 1.96 0.00 0.00 0.00 179.25 179.86 1beg h GLN 46 N -0.13 0.00 0.21 0.00 4.20 -1.45 -2.73 115.11 115.21 1beg h GLN 46 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1beg h GLN 46 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1beg h GLN 46 CO -0.07 0.23 -0.10 1.88 -0.67 0.00 0.00 178.83 180.10 1beg h TYR 47 N 0.00 -0.26 -0.54 2.96 0.05 -0.81 -0.12 116.97 118.25 1beg h TYR 47 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1beg h TYR 47 Cb 0.55 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1beg h TYR 47 CO 0.00 0.07 0.35 1.57 -1.05 0.00 0.00 178.16 179.10 1beg h LYS 48 N -0.63 0.71 -0.42 4.88 2.10 -1.28 -1.27 116.57 120.66 1beg h LYS 48 Ca -0.03 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1beg h LYS 48 Cb 0.45 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.61 1beg h LYS 48 CO 0.05 0.49 0.21 -0.07 -2.00 0.00 0.00 179.45 178.12 1beg h LEU 49 N 0.73 0.55 -0.98 7.07 3.38 -1.49 -2.90 115.31 121.67 1beg h LEU 49 Ca 0.20 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1beg h LEU 49 Cb -0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1beg h LEU 49 CO -0.04 0.52 0.19 0.24 0.09 0.00 0.00 178.44 179.44 1beg h MET 50 N 0.55 0.93 -0.26 1.13 2.86 -0.75 -2.72 114.93 116.67 1beg h MET 50 Ca 0.15 -0.18 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1beg h MET 50 Cb 0.11 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1beg h MET 50 CO -0.02 0.80 0.24 0.00 1.06 0.00 0.00 176.91 178.99 1beg n ALA 52 N -2.44 0.00 0.00 0.00 0.00 -1.02 -4.95 120.51 112.09 1beg n ALA 52 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1beg n ALA 52 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1beg n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1beg n SER 53 N 0.00 0.00 0.17 0.00 3.41 -1.25 -4.72 113.62 111.23 1beg n SER 53 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1beg n SER 53 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1beg n SER 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1beg n THR 54 N 0.00 0.00 -0.09 6.66 -1.04 -1.26 -4.89 114.28 113.66 1beg n THR 54 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1beg n THR 54 Cb 0.00 -0.23 0.35 0.00 -1.82 0.00 0.00 70.33 68.63 1beg n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg h ALA 55 N 0.00 1.60 -0.58 2.41 0.00 -1.92 -2.56 119.26 118.20 1beg h ALA 55 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1beg h ALA 55 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1beg h ALA 55 CO 0.00 0.37 0.21 0.00 0.00 0.00 0.00 179.25 179.83 1beg h ASN 57 N 0.82 0.90 -0.27 0.00 4.21 -1.74 -2.24 115.58 117.24 1beg h ASN 57 Ca 0.19 -0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1beg h ASN 57 Cb 0.24 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1beg h ASN 57 CO -0.01 0.86 0.18 0.74 -1.29 0.00 0.00 177.43 177.90 1beg h THR 58 N 0.92 1.08 0.50 2.81 2.02 -1.08 -0.80 112.91 118.35 1beg h THR 58 Ca 0.20 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1beg h THR 58 Cb 0.30 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1beg h THR 58 CO -0.00 0.07 -0.43 0.24 0.37 0.00 0.00 175.52 175.76 1beg h MET 59 N 0.36 -0.88 0.35 6.66 2.86 -0.81 -0.05 114.93 123.43 1beg h MET 59 Ca 0.10 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1beg h MET 59 Cb -0.03 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1beg h MET 59 CO -0.02 -0.59 -0.22 0.82 1.06 0.00 0.00 176.91 177.96 1beg h ILE 60 N -0.91 0.54 -0.62 -1.22 1.08 -1.45 -1.43 117.51 113.50 1beg h ILE 60 Ca -0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.46 1beg h ILE 60 Cb 0.78 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 1beg h ILE 60 CO -0.02 0.00 0.41 0.50 -0.69 0.00 0.00 178.15 178.35 1beg h LYS 61 N -0.55 0.60 0.18 2.37 3.64 -1.18 -1.03 116.57 120.60 1beg h LYS 61 Ca -0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1beg h LYS 61 Cb 0.46 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1beg h LYS 61 CO 0.04 0.40 -0.09 0.87 -2.27 0.00 0.00 179.45 178.40 1beg h LYS 62 N 0.62 -0.24 -0.80 1.90 1.57 -0.50 -0.76 116.57 118.36 1beg h LYS 62 Ca 0.26 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1beg h LYS 62 Cb 0.25 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1beg h LYS 62 CO -0.08 0.01 0.39 0.82 -0.57 0.00 0.00 179.45 180.03 1beg h ILE 63 N -0.47 1.25 0.15 1.86 1.08 -0.88 -1.86 117.51 118.64 1beg h ILE 63 Ca -0.03 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1beg h ILE 63 Cb 0.36 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1beg h ILE 63 CO 0.04 0.29 -0.07 0.58 -0.69 0.00 0.00 178.15 178.30 1beg h VAL 64 N 1.12 0.98 -0.65 1.67 2.07 -1.15 -1.25 116.25 119.03 1beg h VAL 64 Ca 0.27 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1beg h VAL 64 Cb 0.10 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1beg h VAL 64 CO -0.04 0.15 0.34 0.71 0.02 0.00 0.00 177.57 178.75 1beg h THR 65 N -0.53 0.91 -0.19 2.57 1.35 -1.09 -2.42 112.91 113.53 1beg h THR 65 Ca -0.02 -0.21 -0.17 0.00 -0.55 0.00 0.00 66.41 65.46 1beg h THR 65 Cb 0.41 0.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1beg h THR 65 CO 0.03 0.11 -0.57 0.17 -0.25 0.00 0.00 175.52 175.02 1beg h LEU 66 N 0.61 0.66 -2.46 3.87 8.10 -1.36 -3.50 115.31 121.24 1beg h LEU 66 Ca 0.30 -0.36 0.00 0.00 0.11 0.00 0.00 57.88 57.94 1beg h LEU 66 Cb 0.25 -0.19 -0.06 0.00 -0.44 0.00 0.00 40.66 40.22 1beg h LEU 66 CO -0.22 1.09 -1.04 -3.20 -4.11 0.00 0.00 178.44 170.96 1beg n ASN 67 N -3.95 -4.16 -4.91 0.17 5.15 -0.47 -5.05 115.26 102.03 1beg n ASN 67 Ca -0.04 1.18 -0.28 0.00 -0.60 0.00 0.00 54.58 54.85 1beg n ASN 67 Cb 0.62 -4.00 0.07 0.00 -0.53 0.00 0.00 39.78 35.94 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 -0.72 2.25 0.09 1.20 0.04 -1.26 -5.06 135.00 131.54 1beg s PRO 68 Ca -0.14 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.60 1beg s PRO 68 Cb 0.01 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1beg s PRO 68 CO 0.52 -1.31 1.06 -1.25 0.04 0.00 0.00 177.00 176.06 1beg s PRO 69 N -5.37 4.57 -0.21 0.56 0.04 -1.26 -4.93 135.00 128.40 1beg s PRO 69 Ca 0.60 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.96 1beg s PRO 69 Cb -0.11 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1beg s PRO 69 CO 0.47 -0.00 2.08 1.21 0.04 0.00 0.00 177.00 180.80 1beg s ASN 70 N 0.46 5.68 0.08 6.66 2.47 -1.26 -4.80 114.94 124.23 1beg s ASN 70 Ca 0.52 1.84 -0.27 0.00 0.42 0.00 0.00 52.86 55.37 1beg s ASN 70 Cb -0.26 -2.52 0.09 0.00 -1.45 0.00 0.00 41.25 37.11 1beg s ASN 70 CO 0.31 -1.79 1.13 0.00 -3.72 0.00 0.00 177.10 173.03 1beg s ASP 72 N -3.12 6.54 -0.40 0.00 1.01 -1.22 -4.48 116.67 115.00 1beg s ASP 72 Ca 0.16 0.64 -0.07 0.00 0.71 0.00 0.00 52.55 54.00 1beg s ASP 72 Cb 0.01 -2.29 0.08 0.00 1.01 0.00 0.00 42.92 41.73 1beg s ASP 72 CO 0.00 -0.21 0.21 -0.76 0.21 0.00 0.00 175.17 174.62 1beg s LEU 73 N 1.82 5.00 0.39 1.23 2.01 -0.64 -3.80 118.68 124.70 1beg s LEU 73 Ca 0.24 -1.59 -0.25 0.00 0.01 0.00 0.00 54.13 52.53 1beg s LEU 73 Cb -0.15 -1.91 -0.09 0.00 0.01 0.00 0.00 46.19 44.05 1beg s LEU 73 CO 0.09 -0.50 1.11 0.42 1.01 0.00 0.00 176.35 178.49 1beg s THR 74 N 1.34 3.42 -0.26 5.49 -4.23 -1.26 -1.09 115.64 119.05 1beg s THR 74 Ca 0.03 1.16 -0.18 0.00 -1.18 0.00 0.00 61.69 61.53 1beg s THR 74 Cb -0.22 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1beg s THR 74 CO 0.00 0.08 0.50 -0.69 -0.54 0.00 0.00 174.62 173.98 1beg s VAL 75 N -1.49 5.08 -0.23 2.29 1.01 -0.76 -4.89 120.40 121.41 1beg s VAL 75 Ca 0.56 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1beg s VAL 75 Cb -0.27 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1beg s VAL 75 CO 0.34 0.10 0.96 -0.81 0.00 0.00 0.00 175.10 175.69 1beg n PRO 76 N 5.44 1.12 0.00 2.72 -0.04 -1.26 -3.90 135.00 139.08 1beg n PRO 76 Ca -0.04 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1beg n PRO 76 Cb 0.50 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1beg n PRO 76 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1beg n THR 77 N 0.32 0.00 0.00 0.52 5.66 -1.26 -4.97 114.28 114.55 1beg n THR 77 Ca 0.03 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.86 1beg n THR 77 Cb 0.52 -0.07 -0.12 0.00 -1.55 0.00 0.00 70.33 69.11 1beg n THR 77 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1beg h SER 78 N 0.00 0.42 0.00 1.09 4.64 -1.84 -3.49 113.55 114.37 1beg h SER 78 Ca 0.00 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1beg h SER 78 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1beg h SER 78 CO 0.00 1.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 1beg n GLY 79 N 1.18 1.16 3.54 -0.77 0.00 -1.25 -4.79 105.19 104.26 1beg n GLY 79 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 0.19 0.99 2.96 -1.26 -5.01 118.68 119.27 1beg s LEU 80 Ca 0.00 -1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 52.65 1beg s LEU 80 Cb 0.00 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 1beg s LEU 80 CO 0.00 -0.28 0.40 0.54 -1.32 0.00 0.00 176.35 175.69 1beg s VAL 81 N -2.69 5.18 -0.09 1.68 0.11 -1.26 -1.83 120.40 121.49 1beg s VAL 81 Ca 0.33 -0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1beg s VAL 81 Cb 0.04 -3.70 0.05 0.00 -1.53 0.00 0.00 36.38 31.24 1beg s VAL 81 CO 0.16 -0.13 0.18 -0.22 -3.33 0.00 0.00 175.10 171.77 1beg s LEU 82 N -3.16 0.10 -0.87 2.54 2.96 -0.25 -4.90 118.68 115.11 1beg s LEU 82 Ca 0.40 0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 54.49 1beg s LEU 82 Cb -0.11 0.42 0.10 0.00 0.50 0.00 0.00 46.19 47.10 1beg s LEU 82 CO 0.28 -0.21 1.14 0.21 -1.32 0.00 0.00 176.35 176.44 1beg s ASN 83 N 1.97 6.48 0.30 3.68 3.84 -1.26 -1.62 114.94 128.33 1beg s ASN 83 Ca -0.01 -1.65 0.02 0.00 0.21 0.00 0.00 52.86 51.43 1beg s ASN 83 Cb -0.12 -2.43 0.58 0.00 -0.55 0.00 0.00 41.25 38.73 1beg s ASN 83 CO -0.07 -1.25 1.88 0.58 -2.79 0.00 0.00 177.10 175.46 1beg h VAL 84 N 6.02 0.98 0.70 -5.21 2.07 -1.89 -1.25 116.25 117.68 1beg h VAL 84 Ca 0.04 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1beg h VAL 84 Cb 1.03 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1beg h VAL 84 CO 1.18 0.18 -0.37 0.22 0.02 0.00 0.00 177.57 178.79 1beg h TYR 85 N 0.97 -0.98 -0.47 1.57 3.20 -1.87 -2.95 116.97 116.44 1beg h TYR 85 Ca 0.44 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.32 1beg h TYR 85 Cb 0.38 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1beg h TYR 85 CO -0.00 -0.58 0.31 1.03 -1.64 0.00 0.00 178.16 177.28 1beg h SER 86 N -0.99 0.47 0.03 -2.11 0.87 -1.91 -2.73 113.55 107.18 1beg h SER 86 Ca -0.10 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1beg h SER 86 Cb 0.77 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1beg h SER 86 CO 0.13 0.33 -0.04 0.22 -0.53 0.00 0.00 176.83 176.94 1beg h TYR 87 N 0.55 -0.10 -0.33 2.24 3.20 -1.08 -0.89 116.97 120.54 1beg h TYR 87 Ca 0.19 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1beg h TYR 87 Cb 0.07 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1beg h TYR 87 CO -0.00 -0.05 0.10 0.00 -1.64 0.00 0.00 178.16 176.57 1beg h ALA 88 N -1.62 0.44 -0.53 1.82 0.00 -1.56 -1.87 119.26 115.93 1beg h ALA 88 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1beg h ALA 88 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1beg h ALA 88 CO -0.01 0.08 0.26 -0.91 0.00 0.00 0.00 179.25 178.67 1beg h ASN 89 N 0.38 0.70 1.07 0.00 2.35 -1.57 -3.07 115.58 115.44 1beg h ASN 89 Ca 0.11 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1beg h ASN 89 Cb 0.26 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1beg h ASN 89 CO -0.00 0.62 -0.42 1.23 -1.65 0.00 0.00 177.43 177.21 1beg h GLY 90 N 0.72 0.00 -0.60 2.83 0.00 -1.14 -3.37 103.07 101.50 1beg h GLY 90 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.64 1beg h GLY 90 CO -0.02 0.00 -0.34 -2.75 0.00 0.00 0.00 176.54 173.42 1beg h PHE 91 N 0.00 -0.95 -0.53 5.60 3.57 -1.23 -1.54 116.94 121.86 1beg h PHE 91 Ca -0.00 0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1beg h PHE 91 Cb 1.07 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 1beg h PHE 91 CO 0.00 -0.39 0.20 0.66 -2.23 0.00 0.00 178.31 176.56 1beg h SER 92 N -0.11 0.23 -0.25 0.41 4.64 -1.76 -0.61 113.55 116.11 1beg h SER 92 Ca 0.27 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 1beg h SER 92 Cb 0.57 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1beg h SER 92 CO -0.78 0.16 0.13 0.78 -0.87 0.00 0.00 176.83 176.25 1beg h ASN 93 N 0.40 0.21 -0.36 4.97 4.21 -1.55 0.21 115.58 123.67 1beg h ASN 93 Ca 0.25 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.77 1beg h ASN 93 Cb 0.26 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 1beg h ASN 93 CO -0.24 0.16 0.21 0.50 -1.29 0.00 0.00 177.43 176.77 1beg h LYS 94 N 0.28 0.49 -0.16 0.81 1.63 -0.99 -1.42 116.57 117.22 1beg h LYS 94 Ca 0.10 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.79 1beg h LYS 94 Cb 0.01 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1beg h LYS 94 CO -0.05 0.38 -0.17 0.00 -3.45 0.00 0.00 179.45 176.15 1beg h SER 96 N 0.24 0.20 0.38 0.00 0.87 -0.19 -3.29 113.55 111.76 1beg h SER 96 Ca 0.05 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1beg h SER 96 Cb 0.45 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1beg h SER 96 CO 0.03 0.86 -0.28 -1.20 -0.53 0.00 0.00 176.83 175.71 1beg n SER 97 N -4.58 0.71 0.00 6.23 7.64 -0.57 -5.09 113.62 117.96 1beg n SER 97 Ca -0.09 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1beg n SER 97 Cb 0.44 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1beg n SER 97 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92