#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pra h ILE 2 N 0.00 0.99 -0.33 0.44 2.10 -1.90 0.65 117.51 119.46 1pra h ILE 2 Ca 0.00 -0.44 0.07 0.00 1.08 0.00 0.00 64.86 65.57 1pra h ILE 2 Cb 0.00 1.27 -0.07 0.00 -1.09 0.00 0.00 36.82 36.93 1pra h ILE 2 CO 0.00 0.11 -0.11 -1.28 -1.08 0.00 0.00 178.15 175.78 1pra h SER 3 N -0.37 -0.40 -0.93 2.19 0.87 -1.80 -0.97 113.55 112.14 1pra h SER 3 Ca -0.02 0.11 0.15 0.00 -1.23 0.00 0.00 61.79 60.81 1pra h SER 3 Cb 0.30 0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 62.41 1pra h SER 3 CO 0.03 -0.15 0.53 0.28 -0.53 0.00 0.00 176.83 176.99 1pra h SER 4 N -0.05 0.69 0.70 6.23 0.02 -1.78 0.33 113.55 119.69 1pra h SER 4 Ca 0.16 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1pra h SER 4 Cb 0.30 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1pra h SER 4 CO -0.37 0.30 -0.34 0.03 -1.14 0.00 0.00 176.83 175.31 1pra h ARG 5 N 0.74 -0.90 -0.42 3.45 3.08 0.14 0.19 114.38 120.67 1pra h ARG 5 Ca 0.50 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.69 1pra h ARG 5 Cb 0.69 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.88 1pra h ARG 5 CO -0.35 -0.60 0.05 0.28 -1.07 0.00 0.00 179.97 178.28 1pra h VAL 6 N -1.16 0.74 0.69 2.04 2.07 -0.80 0.24 116.25 120.07 1pra h VAL 6 Ca -0.10 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1pra h VAL 6 Cb 0.72 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1pra h VAL 6 CO 0.16 0.03 -0.33 0.50 0.02 0.00 0.00 177.57 177.94 1pra h LYS 7 N 0.17 -0.90 -0.65 1.57 3.64 -0.43 0.16 116.57 120.13 1pra h LYS 7 Ca 0.21 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.78 1pra h LYS 7 Cb 0.27 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 32.19 1pra h LYS 7 CO -0.30 -0.57 0.07 0.77 -2.27 0.00 0.00 179.45 177.15 1pra h SER 8 N -1.12 -0.16 -0.50 4.20 0.02 -0.37 0.44 113.55 116.06 1pra h SER 8 Ca -0.10 0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1pra h SER 8 Cb 0.74 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1pra h SER 8 CO 0.16 -0.08 0.12 0.50 -1.14 0.00 0.00 176.83 176.39 1pra h LYS 9 N 0.18 0.79 -0.77 3.45 3.11 -0.89 -0.88 116.57 121.56 1pra h LYS 9 Ca 0.35 -0.19 0.07 0.00 -2.81 0.00 0.00 60.65 58.06 1pra h LYS 9 Cb 0.57 -0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 1pra h LYS 9 CO -0.51 0.77 0.50 -0.09 -2.81 0.00 0.00 179.45 177.31 1pra h ARG 10 N 0.68 0.79 0.59 1.90 2.43 0.10 -0.57 114.38 120.31 1pra h ARG 10 Ca 0.16 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1pra h ARG 10 Cb 0.33 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1pra h ARG 10 CO 0.00 0.52 -0.28 0.82 -1.51 0.00 0.00 179.97 179.52 1pra h ILE 11 N 0.82 0.36 -0.81 1.20 5.03 0.45 0.47 117.51 125.03 1pra h ILE 11 Ca 0.33 -0.21 0.13 0.00 -0.12 0.00 0.00 64.86 64.98 1pra h ILE 11 Cb 0.25 0.43 -0.06 0.00 -3.03 0.00 0.00 36.82 34.42 1pra h ILE 11 CO -0.11 0.03 0.53 0.06 -0.68 0.00 0.00 178.15 177.97 1pra h GLN 12 N -0.94 0.60 -0.00 2.37 3.07 -0.75 0.74 115.11 120.18 1pra h GLN 12 Ca -0.08 -0.04 -0.17 0.00 0.09 0.00 0.00 58.65 58.45 1pra h GLN 12 Cb 0.66 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 1pra h GLN 12 CO 0.13 0.40 -0.81 -0.07 0.09 0.00 0.00 178.83 178.57 1pra h LEU 13 N 0.62 0.09 -1.84 0.06 -0.00 -1.02 -3.49 115.31 109.73 1pra h LEU 13 Ca 0.39 -0.07 -0.09 0.00 -0.00 0.00 0.00 57.88 58.11 1pra h LEU 13 Cb 0.65 -0.03 0.04 0.00 -0.00 0.00 0.00 40.66 41.32 1pra h LEU 13 CO -0.15 0.86 -0.20 0.61 -0.00 0.00 0.00 178.44 179.56 1pra n GLY 14 N 0.76 0.25 3.54 0.83 0.00 0.16 -5.07 105.19 105.66 1pra n GLY 14 Ca -0.02 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1pra n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pra s LEU 15 N -3.11 2.21 0.27 0.99 1.43 -0.80 -5.03 118.68 114.65 1pra s LEU 15 Ca 0.01 -1.51 0.07 0.00 -1.03 0.00 0.00 54.13 51.67 1pra s LEU 15 Cb -0.00 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.78 1pra s LEU 15 CO 0.19 -0.73 0.25 0.54 0.23 0.00 0.00 176.35 176.83 1pra s ASN 16 N -3.61 5.57 0.42 2.29 2.20 -1.26 -4.74 114.94 115.81 1pra s ASN 16 Ca 0.28 -0.27 0.11 0.00 -0.94 0.00 0.00 52.86 52.03 1pra s ASN 16 Cb 0.06 -1.34 0.95 0.00 -2.00 0.00 0.00 41.25 38.92 1pra s ASN 16 CO 0.14 -0.14 2.00 1.56 -2.94 0.00 0.00 177.10 177.72 1pra h GLN 17 N 1.37 0.48 0.36 3.55 4.20 -1.98 0.12 115.11 123.21 1pra h GLN 17 Ca -0.48 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 1pra h GLN 17 Cb 1.24 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 1pra h GLN 17 CO 0.60 0.32 -0.47 0.00 -0.67 0.00 0.00 178.83 178.60 1pra h ALA 18 N 1.70 -1.08 -0.66 3.87 0.00 -1.95 0.16 119.26 121.30 1pra h ALA 18 Ca 0.25 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1pra h ALA 18 Cb 0.34 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1pra h ALA 18 CO -0.07 -1.13 0.39 0.93 0.00 0.00 0.00 179.25 179.37 1pra h GLU 19 N -0.86 0.73 -0.27 0.00 5.08 -1.81 0.89 114.58 118.34 1pra h GLU 19 Ca -0.04 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1pra h GLU 19 Cb 0.77 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1pra h GLU 19 CO -0.12 0.48 -0.24 1.25 -1.00 0.00 0.00 179.01 179.38 1pra h LEU 20 N 0.75 -0.78 -0.71 1.33 6.46 -0.86 0.18 115.31 121.68 1pra h LEU 20 Ca 0.28 0.14 0.10 0.00 -0.12 0.00 0.00 57.88 58.28 1pra h LEU 20 Cb 0.10 0.37 -0.07 0.00 -0.73 0.00 0.00 40.66 40.32 1pra h LEU 20 CO -0.14 -0.27 0.34 0.00 -0.62 0.00 0.00 178.44 177.74 1pra h ALA 21 N 0.84 0.97 -0.31 1.25 0.00 0.66 0.82 119.26 123.49 1pra h ALA 21 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pra h ALA 21 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pra h ALA 21 CO -0.41 -0.08 0.14 1.96 0.00 0.00 0.00 179.25 180.86 1pra h GLN 22 N 0.56 0.46 -0.06 0.00 4.20 0.05 0.52 115.11 120.84 1pra h GLN 22 Ca 0.35 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 1pra h GLN 22 Cb 0.40 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1pra h GLN 22 CO -0.29 0.45 -0.16 0.87 -0.67 0.00 0.00 178.83 179.02 1pra h LYS 23 N 0.36 0.09 -0.25 1.46 6.56 0.07 -0.70 116.57 124.16 1pra h LYS 23 Ca 0.11 -0.02 -0.17 0.00 -1.06 0.00 0.00 60.65 59.51 1pra h LYS 23 Cb 0.15 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1pra h LYS 23 CO -0.01 0.26 -0.52 0.28 -2.06 0.00 0.00 179.45 177.40 1pra h VAL 24 N 0.09 1.29 -0.26 0.50 2.07 -0.51 -3.43 116.25 116.01 1pra h VAL 24 Ca 0.02 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1pra h VAL 24 Cb 0.35 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1pra h VAL 24 CO 0.02 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1pra n GLY 25 N 0.27 1.07 0.00 2.17 0.00 0.16 -4.79 105.19 104.08 1pra n GLY 25 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1pra n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pra n THR 26 N -1.89 0.00 -4.83 2.61 5.66 0.14 -5.00 114.28 110.96 1pra n THR 26 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1pra n THR 26 Cb 0.26 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.91 1pra n THR 26 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1pra s THR 27 N -0.08 2.92 0.35 1.09 -4.23 -1.26 -4.02 115.64 110.41 1pra s THR 27 Ca 0.00 -0.91 0.15 0.00 -1.18 0.00 0.00 61.69 59.76 1pra s THR 27 Cb 0.00 -2.17 0.36 0.00 1.34 0.00 0.00 72.50 72.03 1pra s THR 27 CO 0.00 0.50 1.60 -0.61 -0.54 0.00 0.00 174.62 175.57 1pra h GLN 28 N 5.05 0.07 -0.94 3.99 4.15 -1.85 0.14 115.11 125.72 1pra h GLN 28 Ca -0.47 -0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.21 1pra h GLN 28 Cb 1.15 -0.02 -0.17 0.00 0.21 0.00 0.00 27.48 28.66 1pra h GLN 28 CO 0.49 0.04 0.08 0.37 -1.93 0.00 0.00 178.83 177.89 1pra h GLN 29 N 0.07 0.05 0.01 1.69 -0.00 -1.95 0.26 115.11 115.23 1pra h GLN 29 Ca 0.77 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 59.42 1pra h GLN 29 Cb 1.91 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.37 1pra h GLN 29 CO -0.76 0.03 -0.04 0.77 0.00 0.00 0.00 178.83 178.83 1pra h SER 30 N 0.05 -0.11 0.35 -0.69 0.02 -1.13 0.74 113.55 112.78 1pra h SER 30 Ca 0.58 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.53 1pra h SER 30 Cb 1.19 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1pra h SER 30 CO -0.84 -0.06 -0.17 0.40 -1.14 0.00 0.00 176.83 175.02 1pra h ILE 31 N -0.07 0.66 -0.67 3.27 5.03 -0.96 -0.55 117.51 124.21 1pra h ILE 31 Ca 0.02 -0.17 0.14 0.00 -0.12 0.00 0.00 64.86 64.73 1pra h ILE 31 Cb 0.09 0.75 -0.12 0.00 -3.03 0.00 0.00 36.82 34.52 1pra h ILE 31 CO -0.04 0.03 -0.03 -0.08 -0.68 0.00 0.00 178.15 177.36 1pra h GLU 32 N -0.57 0.09 -0.09 2.37 4.81 -0.53 0.36 114.58 121.02 1pra h GLU 32 Ca -0.05 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1pra h GLU 32 Cb 0.42 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1pra h GLU 32 CO 0.08 0.06 -0.16 0.37 -0.73 0.00 0.00 179.01 178.63 1pra h GLN 33 N 0.09 -0.21 -0.57 1.92 4.15 -0.63 0.93 115.11 120.79 1pra h GLN 33 Ca 0.35 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.85 1pra h GLN 33 Cb 0.58 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 1pra h GLN 33 CO -0.60 -0.14 0.27 1.25 -1.93 0.00 0.00 178.83 177.68 1pra h LEU 34 N -0.22 0.37 -0.63 -2.39 5.85 0.76 -1.23 115.31 117.82 1pra h LEU 34 Ca 0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1pra h LEU 34 Cb 0.33 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1pra h LEU 34 CO -0.22 0.24 0.39 -0.33 -0.34 0.00 0.00 178.44 178.19 1pra h GLU 35 N 0.51 0.76 0.00 1.25 5.08 0.02 0.85 114.58 123.06 1pra h GLU 35 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1pra h GLU 35 Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1pra h GLU 35 CO -0.21 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.40 1pra n ASN 36 N -4.70 0.00 -2.78 1.42 3.02 0.28 -4.00 115.26 108.50 1pra n ASN 36 Ca 0.06 -0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 53.86 1pra n ASN 36 Cb 0.07 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1pra n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pra n GLY 37 N 0.19 -0.74 2.66 7.41 0.00 0.29 -4.99 105.19 110.02 1pra n GLY 37 Ca 0.13 0.36 -0.08 0.00 0.00 0.00 0.00 46.02 46.42 1pra n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pra n LYS 38 N -2.51 1.16 -3.76 1.61 2.85 -1.14 -5.04 118.16 111.33 1pra n LYS 38 Ca -0.04 -2.66 -0.13 0.00 -1.05 0.00 0.00 58.31 54.43 1pra n LYS 38 Cb 0.57 -0.77 -0.10 0.00 -0.65 0.00 0.00 35.03 34.07 1pra n LYS 38 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1pra s THR 39 N -1.70 0.00 -0.19 0.58 2.01 -1.26 -4.82 115.64 110.26 1pra s THR 39 Ca 0.25 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 1pra s THR 39 Cb 0.43 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 72.36 1pra s THR 39 CO -0.02 -0.02 -0.22 1.17 -0.69 0.00 0.00 174.62 174.84 1pra n LYS 40 N 2.75 0.52 -3.36 4.92 4.81 -1.26 -4.94 118.16 121.60 1pra n LYS 40 Ca -0.14 0.37 -0.16 0.00 -0.87 0.00 0.00 58.31 57.51 1pra n LYS 40 Cb 0.57 -1.57 -0.08 0.00 0.02 0.00 0.00 35.03 33.98 1pra n LYS 40 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1pra s ARG 41 N -2.55 0.58 0.21 1.64 6.06 -1.26 -5.10 118.95 118.53 1pra s ARG 41 Ca -0.26 -0.68 -0.30 0.00 -2.50 0.00 0.00 55.73 51.99 1pra s ARG 41 Cb 0.05 -0.68 -0.09 0.00 0.06 0.00 0.00 34.95 34.30 1pra s ARG 41 CO 0.39 -1.16 1.25 -1.25 -2.50 0.00 0.00 175.30 172.03 1pra s PRO 42 N 1.65 4.45 0.42 5.12 0.04 -1.26 -4.91 135.00 140.51 1pra s PRO 42 Ca 0.15 1.97 0.18 0.00 0.04 0.00 0.00 61.00 63.34 1pra s PRO 42 Cb -0.15 -3.20 1.09 0.00 0.04 0.00 0.00 34.50 32.28 1pra s PRO 42 CO -0.10 -0.14 1.85 0.00 0.04 0.00 0.00 177.00 178.65 1pra h ARG 43 N 5.03 0.39 -0.90 4.56 2.47 -2.06 0.14 114.38 124.02 1pra h ARG 43 Ca -0.45 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1pra h ARG 43 Cb 1.21 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1pra h ARG 43 CO 0.74 0.26 0.00 1.97 0.56 0.00 0.00 179.97 183.50 1pra n PHE 44 N -4.52 0.18 -0.05 3.04 1.16 -1.26 -4.36 117.46 111.66 1pra n PHE 44 Ca 0.20 -0.06 -0.12 0.00 -1.87 0.00 0.00 57.45 55.59 1pra n PHE 44 Cb 0.72 -0.13 -0.08 0.00 -1.61 0.00 0.00 39.48 38.37 1pra n PHE 44 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1pra h LEU 45 N 0.37 -1.50 -1.04 5.98 3.38 -1.34 0.22 115.31 121.39 1pra h LEU 45 Ca 0.00 0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1pra h LEU 45 Cb 0.60 0.59 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1pra h LEU 45 CO 0.04 -0.38 -0.04 1.55 0.09 0.00 0.00 178.44 179.70 1pra h PRO 46 N -0.43 0.64 0.17 1.13 0.13 -1.86 0.53 132.00 132.30 1pra h PRO 46 Ca 0.04 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1pra h PRO 46 Cb 0.55 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1pra h PRO 46 CO -0.42 0.69 -0.18 0.93 -0.23 0.00 0.00 178.00 178.80 1pra h GLU 47 N 0.60 -0.37 -0.46 0.86 5.08 -1.77 0.22 114.58 118.74 1pra h GLU 47 Ca 0.12 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1pra h GLU 47 Cb 0.44 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1pra h GLU 47 CO 0.02 -0.24 0.01 1.25 -1.00 0.00 0.00 179.01 179.05 1pra h LEU 48 N -0.38 0.79 -0.48 1.33 6.46 -0.21 0.26 115.31 123.09 1pra h LEU 48 Ca 0.00 -0.30 0.05 0.00 -0.12 0.00 0.00 57.88 57.51 1pra h LEU 48 Cb 0.36 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 1pra h LEU 48 CO -0.05 0.90 0.21 0.00 -0.62 0.00 0.00 178.44 178.88 1pra h ALA 49 N 0.92 0.59 -0.29 1.25 0.00 -0.79 -1.04 119.26 119.91 1pra h ALA 49 Ca 0.13 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1pra h ALA 49 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pra h ALA 49 CO 0.02 -0.16 -0.32 0.66 0.00 0.00 0.00 179.25 179.45 1pra h SER 50 N 0.42 0.78 0.07 0.00 4.64 -0.19 0.49 113.55 119.76 1pra h SER 50 Ca 0.22 -0.48 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1pra h SER 50 Cb 0.16 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1pra h SER 50 CO -0.18 1.11 -0.10 0.00 -0.87 0.00 0.00 176.83 176.79 1pra h ALA 51 N 0.70 -0.16 -0.06 5.18 0.00 -0.23 -2.75 119.26 121.94 1pra h ALA 51 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1pra h ALA 51 Cb 0.90 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pra h ALA 51 CO 0.08 -0.61 -0.43 -0.07 0.00 0.00 0.00 179.25 178.22 1pra h LEU 52 N -0.20 0.48 -1.05 0.00 3.38 -1.26 -3.49 115.31 113.17 1pra h LEU 52 Ca 0.02 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1pra h LEU 52 Cb 0.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pra h LEU 52 CO -0.05 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1pra n GLY 53 N 0.81 0.83 3.37 0.83 0.00 0.15 -5.07 105.19 106.11 1pra n GLY 53 Ca -0.09 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 1pra n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pra s VAL 54 N -2.35 0.52 0.18 1.61 -7.23 0.35 -5.02 120.40 108.47 1pra s VAL 54 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 1pra s VAL 54 Cb 0.00 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 1pra s VAL 54 CO 0.00 0.00 0.64 -0.94 -0.31 0.00 0.00 175.10 174.49 1pra s SER 55 N -3.40 6.94 0.19 4.85 1.04 -1.26 -4.41 113.70 117.65 1pra s SER 55 Ca 0.35 1.25 -0.12 0.00 0.48 0.00 0.00 55.95 57.91 1pra s SER 55 Cb 0.06 -2.35 0.21 0.00 0.10 0.00 0.00 66.02 64.04 1pra s SER 55 CO 0.16 0.07 1.74 0.58 0.98 0.00 0.00 173.24 176.77 1pra h VAL 56 N 2.78 0.78 -1.01 5.02 2.07 -1.93 -0.30 116.25 123.66 1pra h VAL 56 Ca -0.48 -0.12 0.25 0.00 0.82 0.00 0.00 66.70 67.17 1pra h VAL 56 Cb 1.19 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 31.25 1pra h VAL 56 CO 0.65 0.06 0.60 0.44 0.02 0.00 0.00 177.57 179.34 1pra h ASP 57 N 0.34 0.67 0.04 0.57 5.19 -1.99 0.15 116.42 121.39 1pra h ASP 57 Ca 0.26 0.13 -0.18 0.00 -0.62 0.00 0.00 57.03 56.62 1pra h ASP 57 Cb 0.32 0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.88 1pra h ASP 57 CO -0.29 0.10 -0.75 -0.25 -3.12 0.00 0.00 179.24 174.94 1pra h TRP 58 N 0.58 0.67 -0.90 4.55 7.01 -1.63 0.56 115.95 126.78 1pra h TRP 58 Ca 0.64 -0.40 0.16 0.00 2.11 0.00 0.00 58.89 61.41 1pra h TRP 58 Cb 1.24 -0.06 -0.07 0.00 -2.10 0.00 0.00 29.16 28.16 1pra h TRP 58 CO -0.01 1.24 0.58 -0.07 -2.79 0.00 0.00 178.44 177.39 1pra h LEU 59 N -0.08 0.61 0.36 0.65 3.38 0.69 0.70 115.31 121.61 1pra h LEU 59 Ca -0.11 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1pra h LEU 59 Cb 1.47 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1pra h LEU 59 CO 0.14 0.29 -0.17 -0.07 0.09 0.00 0.00 178.44 178.72 1pra h LEU 60 N 0.63 -0.41 0.00 1.67 -0.00 -0.79 -3.41 115.31 113.00 1pra h LEU 60 Ca 0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.34 1pra h LEU 60 Cb 0.84 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1pra h LEU 60 CO -0.22 0.04 -0.03 0.78 -0.00 0.00 0.00 178.44 179.01 1pra h ASN 61 N -1.12 0.00 -2.81 -0.43 2.35 -0.72 -3.50 115.58 109.35 1pra h ASN 61 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1pra h ASN 61 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1pra h ASN 61 CO 0.08 0.49 0.00 0.61 -1.65 0.00 0.00 177.43 176.96 1pra n GLY 62 N 1.78 0.74 2.57 2.83 0.00 0.24 -5.03 105.19 108.32 1pra n GLY 62 Ca -0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1pra n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pra s THR 63 N -2.94 -0.08 0.39 2.61 -4.23 -1.26 -4.78 115.64 105.35 1pra s THR 63 Ca 0.00 -0.55 0.08 0.00 -1.18 0.00 0.00 61.69 60.03 1pra s THR 63 Cb 0.00 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.99 1pra s THR 63 CO 0.00 -0.57 0.45 -0.44 -0.54 0.00 0.00 174.62 173.52 1pra s SER 64 N 2.12 5.49 -0.31 3.99 0.01 -1.26 -4.91 113.70 118.82 1pra s SER 64 Ca 0.07 -0.48 -0.18 0.00 1.31 0.00 0.00 55.95 56.66 1pra s SER 64 Cb -0.16 -0.79 0.03 0.00 0.21 0.00 0.00 66.02 65.31 1pra s SER 64 CO -0.28 -0.61 0.39 -0.90 0.41 0.00 0.00 173.24 172.25 1pra n ASP 65 N -1.65 -3.13 -4.53 2.44 5.75 -1.26 -4.65 116.55 109.51 1pra n ASP 65 Ca 0.04 -0.21 -0.25 0.00 -0.01 0.00 0.00 54.79 54.36 1pra n ASP 65 Cb 0.60 -0.94 -0.11 0.00 -1.03 0.00 0.00 41.12 39.63 1pra n ASP 65 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1pra n SER 66 N -0.06 0.85 -0.13 -1.12 7.64 -1.26 -4.75 113.62 114.77 1pra n SER 66 Ca -0.08 -0.75 0.23 0.00 1.01 0.00 0.00 58.87 59.27 1pra n SER 66 Cb 0.41 -1.24 0.65 0.00 -1.01 0.00 0.00 64.21 63.02 1pra n SER 66 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1pra h ASN 67 N 13.77 0.13 -3.64 6.43 4.21 -2.03 -3.47 115.58 130.97 1pra h ASN 67 Ca -0.05 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1pra h ASN 67 Cb 1.15 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 1pra h ASN 67 CO 1.26 0.06 -0.37 0.52 -1.29 0.00 0.00 177.43 177.61 1pra n VAL 68 N -4.38 -5.97 -1.56 2.81 0.31 -1.26 -5.32 118.33 102.96 1pra n VAL 68 Ca 0.15 1.30 0.00 0.00 -0.01 0.00 0.00 64.34 65.78 1pra n VAL 68 Cb 0.75 -3.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.51 1pra n VAL 68 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37