#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfm n SER 4 N 0.00 -0.21 -4.77 6.12 3.41 -1.26 -5.12 113.62 111.79 1pfm n SER 4 Ca 0.00 -2.07 -0.36 0.00 -0.26 0.00 0.00 58.87 56.18 1pfm n SER 4 Cb 0.00 0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1pfm n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pfm s ALA 5 N -0.74 2.93 0.00 7.33 0.00 -1.26 -4.78 121.76 125.23 1pfm s ALA 5 Ca 0.15 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1pfm s ALA 5 Cb 0.28 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1pfm s ALA 5 CO -0.08 -0.60 0.00 0.36 0.00 0.00 0.00 175.76 175.44 1pfm n LYS 6 N -0.63 0.00 0.02 0.00 2.85 -1.26 -5.03 118.16 114.12 1pfm n LYS 6 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1pfm n LYS 6 Cb 0.49 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1pfm n LYS 6 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1pfm n GLU 7 N -0.97 0.00 0.00 -1.58 -0.58 -1.26 -4.64 120.64 111.61 1pfm n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pfm n GLU 7 Cb 0.00 -0.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 1pfm n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1pfm n LEU 8 N -2.88 0.00 -3.32 -4.62 7.94 -1.26 -3.02 117.00 109.84 1pfm n LEU 8 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 1pfm n LEU 8 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1pfm n LEU 8 CO 0.00 0.00 -0.27 -0.13 -1.11 0.00 0.00 177.39 175.88 1pfm s ARG 9 N 0.00 0.92 -0.17 1.96 3.00 -0.41 -5.04 118.95 119.21 1pfm s ARG 9 Ca 0.00 -1.99 -0.19 0.00 0.00 0.00 0.00 55.73 53.54 1pfm s ARG 9 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 34.95 33.66 1pfm s ARG 9 CO 0.00 -1.38 0.55 0.00 0.00 0.00 0.00 175.30 174.47 1pfm h GLN 11 N 7.24 0.00 -2.65 0.00 4.15 -1.95 -3.33 115.11 118.58 1pfm h GLN 11 Ca -0.35 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.49 1pfm h GLN 11 Cb 1.16 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.46 1pfm h GLN 11 CO 0.75 0.00 -0.83 0.00 -1.93 0.00 0.00 178.83 176.82 1pfm n VAL 13 N 4.24 0.00 0.00 0.00 0.31 -1.25 -4.80 118.33 116.83 1pfm n VAL 13 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1pfm n VAL 13 Cb 0.38 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1pfm n VAL 13 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1pfm n LYS 14 N 0.00 -0.19 -4.30 5.55 2.85 -1.26 -4.97 118.16 115.84 1pfm n LYS 14 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 1pfm n LYS 14 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1pfm n LYS 14 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1pfm s THR 15 N -0.46 4.29 -1.01 0.58 2.01 -1.26 -4.96 115.64 114.83 1pfm s THR 15 Ca 0.00 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 1pfm s THR 15 Cb 0.00 -2.86 0.12 0.00 0.01 0.00 0.00 72.50 69.77 1pfm s THR 15 CO 0.00 0.54 2.47 0.41 -0.69 0.00 0.00 174.62 177.35 1pfm n THR 16 N 2.86 4.64 0.74 -0.82 -1.04 -0.29 -4.59 114.28 115.78 1pfm n THR 16 Ca -0.18 -3.99 0.11 0.00 -2.04 0.00 0.00 64.05 57.95 1pfm n THR 16 Cb 0.53 -1.87 0.46 0.00 -1.82 0.00 0.00 70.33 67.64 1pfm n THR 16 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1pfm n SER 17 N 1.29 0.04 0.14 8.00 7.64 -1.25 -3.35 113.62 126.12 1pfm n SER 17 Ca 0.57 0.51 0.19 0.00 1.01 0.00 0.00 58.87 61.15 1pfm n SER 17 Cb 0.35 -0.52 0.73 0.00 -1.01 0.00 0.00 64.21 63.76 1pfm n SER 17 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1pfm h GLN 18 N 0.00 0.00 -6.55 1.43 4.15 -1.92 -3.39 115.11 108.83 1pfm h GLN 18 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 1pfm h GLN 18 Cb 0.38 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1pfm h GLN 18 CO 0.00 0.00 0.29 0.08 -1.93 0.00 0.00 178.83 177.27 1pfm s VAL 19 N -4.47 4.43 -0.07 2.39 1.01 -1.21 -5.03 120.40 117.44 1pfm s VAL 19 Ca -0.04 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.67 1pfm s VAL 19 Cb 0.13 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1pfm s VAL 19 CO 0.46 0.40 0.54 -0.60 0.00 0.00 0.00 175.10 175.91 1pfm s ARG 20 N -0.48 4.32 -0.55 2.72 3.52 -1.26 -5.02 118.95 122.19 1pfm s ARG 20 Ca 0.42 0.59 -0.28 0.00 -0.13 0.00 0.00 55.73 56.33 1pfm s ARG 20 Cb -0.23 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 29.79 1pfm s ARG 20 CO 0.28 0.25 1.20 -1.25 -0.81 0.00 0.00 175.30 174.97 1pfm s PRO 21 N 0.28 3.55 0.09 5.12 0.04 -1.26 -4.59 135.00 138.23 1pfm s PRO 21 Ca 0.29 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1pfm s PRO 21 Cb -0.17 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1pfm s PRO 21 CO 0.14 -1.63 0.00 0.54 0.04 0.00 0.00 177.00 176.09 1pfm n ARG 22 N 8.31 0.00 -1.39 4.56 1.74 -1.26 -4.92 116.66 123.71 1pfm n ARG 22 Ca 0.10 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 1pfm n ARG 22 Cb 0.49 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.03 1pfm n ARG 22 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1pfm n HIS 23 N -2.70 2.84 -1.04 -1.55 8.25 -1.26 -5.01 115.22 114.75 1pfm n HIS 23 Ca 0.00 -2.50 -0.29 0.00 -0.26 0.00 0.00 57.72 54.67 1pfm n HIS 23 Cb 0.00 -1.03 0.20 0.00 1.12 0.00 0.00 29.99 30.28 1pfm n HIS 23 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1pfm s ILE 24 N -4.34 1.93 0.00 1.59 1.10 -1.26 -1.60 121.20 118.63 1pfm s ILE 24 Ca 0.58 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.72 1pfm s ILE 24 Cb 0.47 -2.41 0.00 0.00 0.15 0.00 0.00 42.46 40.67 1pfm s ILE 24 CO 0.02 0.00 0.00 1.07 -2.11 0.00 0.00 174.94 173.92 1pfm n THR 25 N -4.44 0.00 -3.53 4.00 5.66 -0.80 -4.53 114.28 110.65 1pfm n THR 25 Ca 0.06 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.95 1pfm n THR 25 Cb 0.57 -0.45 -0.04 0.00 -1.55 0.00 0.00 70.33 68.86 1pfm n THR 25 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1pfm s SER 26 N -4.08 -0.43 -0.13 1.09 0.01 -1.16 -5.04 113.70 103.96 1pfm s SER 26 Ca 0.00 0.27 -0.11 0.00 1.31 0.00 0.00 55.95 57.42 1pfm s SER 26 Cb 0.00 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.66 1pfm s SER 26 CO 0.00 -0.54 0.35 -1.48 0.41 0.00 0.00 173.24 171.98 1pfm s LEU 27 N -1.77 0.58 0.30 2.44 0.05 -1.26 0.76 118.68 119.78 1pfm s LEU 27 Ca -0.00 0.70 0.00 0.00 0.05 0.00 0.00 54.13 54.88 1pfm s LEU 27 Cb -0.01 1.17 -0.04 0.00 -2.05 0.00 0.00 46.19 45.27 1pfm s LEU 27 CO -0.02 -0.13 0.49 -1.83 -0.55 0.00 0.00 176.35 174.31 1pfm s GLU 28 N 0.38 3.50 -0.27 1.48 -1.05 0.40 -4.93 118.70 118.22 1pfm s GLU 28 Ca -0.02 -0.37 -0.03 0.00 -0.15 0.00 0.00 54.97 54.41 1pfm s GLU 28 Cb -0.04 -2.73 0.11 0.00 -0.44 0.00 0.00 34.13 31.03 1pfm s GLU 28 CO -0.02 0.24 0.18 0.08 0.95 0.00 0.00 175.26 176.70 1pfm s VAL 29 N -2.16 -0.19 0.01 1.83 1.01 -1.26 -0.81 120.40 118.81 1pfm s VAL 29 Ca 0.39 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1pfm s VAL 29 Cb -0.10 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1pfm s VAL 29 CO 0.33 -0.57 0.28 -0.63 0.00 0.00 0.00 175.10 174.52 1pfm s ILE 30 N 2.20 5.27 0.38 2.22 1.01 -0.16 -4.92 121.20 127.21 1pfm s ILE 30 Ca 0.08 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 1pfm s ILE 30 Cb -0.15 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 38.83 1pfm s ILE 30 CO -0.31 0.39 0.51 1.17 0.00 0.00 0.00 174.94 176.70 1pfm n LYS 31 N 1.21 -0.58 -2.47 2.79 4.81 -1.26 -1.64 118.16 121.02 1pfm n LYS 31 Ca -0.12 -0.79 -0.41 0.00 -0.87 0.00 0.00 58.31 56.13 1pfm n LYS 31 Cb 0.53 -0.53 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1pfm n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pfm s ALA 32 N -3.93 2.72 0.99 3.14 0.00 -1.25 -3.92 121.76 119.51 1pfm s ALA 32 Ca 0.29 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1pfm s ALA 32 Cb -0.01 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1pfm s ALA 32 CO 0.20 -3.23 0.00 0.41 0.00 0.00 0.00 175.76 173.14 1pfm n GLY 33 N 5.36 0.75 0.03 0.00 0.00 0.45 -4.63 105.19 107.15 1pfm n GLY 33 Ca 0.07 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 1pfm n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pfm h PRO 34 N 0.00 -0.05 0.00 1.61 0.13 -1.97 -3.06 132.00 128.65 1pfm h PRO 34 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pfm h PRO 34 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1pfm h PRO 34 CO 0.00 -0.03 0.00 1.12 -0.23 0.00 0.00 178.00 178.86 1pfm h HIS 35 N -0.32 0.00 -2.94 1.56 2.07 -1.89 -3.26 115.15 110.37 1pfm h HIS 35 Ca -0.01 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.90 1pfm h HIS 35 Cb 0.04 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 29.62 1pfm h HIS 35 CO 0.02 0.00 -0.73 0.00 -3.07 0.00 0.00 177.93 174.15 1pfm n PRO 37 N 2.99 0.15 -3.31 0.00 -0.04 -1.16 0.17 135.00 133.81 1pfm n PRO 37 Ca 0.15 0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.64 1pfm n PRO 37 Cb 0.37 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 1pfm n PRO 37 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1pfm s THR 38 N -3.19 5.00 0.24 0.52 -1.32 -1.26 -4.64 115.64 110.98 1pfm s THR 38 Ca 0.07 0.13 -0.31 0.00 -1.21 0.00 0.00 61.69 60.36 1pfm s THR 38 Cb 0.11 -3.72 -0.11 0.00 -1.51 0.00 0.00 72.50 67.26 1pfm s THR 38 CO 0.41 -0.32 1.64 0.00 -2.21 0.00 0.00 174.62 174.14 1pfm s ALA 39 N -2.09 3.83 -0.35 11.08 0.00 -1.26 -3.79 121.76 129.18 1pfm s ALA 39 Ca 0.45 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.97 1pfm s ALA 39 Cb -0.11 -3.66 0.11 0.00 0.00 0.00 0.00 23.12 19.46 1pfm s ALA 39 CO 0.29 -0.92 0.10 -1.14 0.00 0.00 0.00 175.76 174.10 1pfm s GLN 40 N 0.48 1.18 -0.07 0.00 -0.44 -0.65 -4.82 119.66 115.34 1pfm s GLN 40 Ca 0.69 -1.62 0.03 0.00 -2.50 0.00 0.00 55.36 51.96 1pfm s GLN 40 Cb -0.48 -2.63 -0.02 0.00 -1.64 0.00 0.00 33.01 28.23 1pfm s GLN 40 CO 0.38 -0.99 -0.14 -0.48 0.50 0.00 0.00 175.29 174.55 1pfm s LEU 41 N 1.05 2.70 0.36 3.68 2.34 -1.25 -0.99 118.68 126.58 1pfm s LEU 41 Ca 0.12 -0.23 0.08 0.00 0.06 0.00 0.00 54.13 54.15 1pfm s LEU 41 Cb -0.19 -1.56 -0.05 0.00 -0.56 0.00 0.00 46.19 43.83 1pfm s LEU 41 CO -0.14 0.31 0.12 -0.63 -1.06 0.00 0.00 176.35 174.95 1pfm s ILE 42 N -0.50 2.67 0.30 1.48 -1.09 0.01 -2.59 121.20 121.48 1pfm s ILE 42 Ca 0.07 -1.78 0.07 0.00 -2.23 0.00 0.00 60.65 56.78 1pfm s ILE 42 Cb -0.12 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 1pfm s ILE 42 CO 0.02 -0.13 0.24 0.00 -1.23 0.00 0.00 174.94 173.84 1pfm n ALA 43 N -1.12 0.63 -3.16 9.38 0.00 -0.94 -0.45 120.51 124.84 1pfm n ALA 43 Ca -0.03 -1.73 -0.13 0.00 0.00 0.00 0.00 53.44 51.56 1pfm n ALA 43 Cb 0.63 1.38 -0.12 0.00 0.00 0.00 0.00 19.45 21.34 1pfm n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pfm s THR 44 N -3.17 -0.00 0.01 0.00 2.01 0.23 -3.17 115.64 111.55 1pfm s THR 44 Ca 0.34 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1pfm s THR 44 Cb 0.02 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.17 1pfm s THR 44 CO 0.24 0.00 0.01 0.18 -0.69 0.00 0.00 174.62 174.37 1pfm n LEU 45 N 3.00 0.00 -0.05 4.42 4.32 -1.08 -1.91 117.00 125.70 1pfm n LEU 45 Ca -0.13 -0.06 -0.16 0.00 -0.02 0.00 0.00 56.01 55.64 1pfm n LEU 45 Cb 0.58 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.31 1pfm n LEU 45 CO 0.18 -0.40 0.39 0.11 -1.22 0.00 0.00 177.39 176.45 1pfm h LYS 46 N 0.00 0.71 -6.16 3.23 1.79 -1.53 -3.31 116.57 111.29 1pfm h LYS 46 Ca -0.01 -0.50 -0.58 0.00 -2.18 0.00 0.00 60.65 57.38 1pfm h LYS 46 Cb 0.03 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.67 1pfm h LYS 46 CO 0.01 1.13 1.38 -0.80 -1.08 0.00 0.00 179.45 180.09 1pfm s ASN 47 N -6.82 6.39 -0.05 0.86 -0.87 -1.26 -4.80 114.94 108.38 1pfm s ASN 47 Ca -0.12 -1.18 -0.00 0.00 -1.57 0.00 0.00 52.86 49.99 1pfm s ASN 47 Cb 0.08 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.72 1pfm s ASN 47 CO 0.86 -1.61 0.64 0.61 -2.57 0.00 0.00 177.10 175.03 1pfm n GLY 48 N 6.51 -0.03 3.41 0.66 0.00 -1.25 -4.77 105.19 109.73 1pfm n GLY 48 Ca 0.26 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1pfm n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pfm s ARG 49 N 3.03 1.81 -0.15 1.61 1.70 -1.26 -4.96 118.95 120.72 1pfm s ARG 49 Ca 0.07 -2.07 -0.06 0.00 -0.47 0.00 0.00 55.73 53.20 1pfm s ARG 49 Cb -0.04 -0.22 0.07 0.00 -0.57 0.00 0.00 34.95 34.18 1pfm s ARG 49 CO 0.03 -0.52 0.32 0.15 -1.08 0.00 0.00 175.30 174.19 1pfm s LYS 50 N -3.66 0.24 0.00 3.89 3.01 -1.26 -2.63 119.74 119.33 1pfm s LYS 50 Ca 0.31 0.77 0.00 0.00 -1.01 0.00 0.00 55.97 56.04 1pfm s LYS 50 Cb 0.03 0.03 0.00 0.00 -1.01 0.00 0.00 37.83 36.88 1pfm s LYS 50 CO 0.19 -0.23 0.00 0.44 0.51 0.00 0.00 175.35 176.26 1pfm n ILE 51 N 4.93 0.00 -3.63 2.17 -6.64 -1.19 -4.87 119.36 110.14 1pfm n ILE 51 Ca -0.14 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.80 1pfm n ILE 51 Cb 0.51 0.00 -0.05 0.00 -1.44 0.00 0.00 39.64 38.67 1pfm n ILE 51 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pfm n LEU 53 N 0.73 0.00 -4.81 0.00 4.77 -1.07 -1.13 117.00 115.48 1pfm n LEU 53 Ca -0.04 -0.63 -0.22 0.00 -0.03 0.00 0.00 56.01 55.10 1pfm n LEU 53 Cb 0.58 0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1pfm n LEU 53 CO 0.08 -0.10 -0.15 1.51 -1.33 0.00 0.00 177.39 177.40 1pfm s ASP 54 N -1.51 5.28 -0.12 -1.43 1.47 -1.26 -4.13 116.67 114.97 1pfm s ASP 54 Ca 0.04 -0.42 0.18 0.00 1.18 0.00 0.00 52.55 53.52 1pfm s ASP 54 Cb 0.00 -1.14 -0.26 0.00 -0.34 0.00 0.00 42.92 41.19 1pfm s ASP 54 CO 0.03 -0.17 0.21 -0.11 0.68 0.00 0.00 175.17 175.80 1pfm n LEU 55 N -1.22 0.00 -2.41 2.11 0.00 -1.26 -4.45 117.00 109.77 1pfm n LEU 55 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.71 1pfm n LEU 55 Cb 0.59 0.28 -0.07 0.00 0.00 0.00 0.00 43.42 44.22 1pfm n LEU 55 CO 0.43 0.28 1.58 0.00 0.00 0.00 0.00 177.39 179.67 1pfm n GLN 56 N -2.49 2.33 -3.56 1.96 6.02 -1.26 -4.86 117.38 115.51 1pfm n GLN 56 Ca -0.20 -2.14 -0.15 0.00 -0.01 0.00 0.00 57.00 54.50 1pfm n GLN 56 Cb 0.87 -2.11 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 1pfm n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pfm s ALA 57 N -1.36 -1.45 -1.79 -1.58 0.00 -1.26 -5.02 121.76 109.30 1pfm s ALA 57 Ca 0.59 0.82 0.30 0.00 0.00 0.00 0.00 51.96 53.67 1pfm s ALA 57 Cb 0.37 0.24 1.67 0.00 0.00 0.00 0.00 23.12 25.40 1pfm s ALA 57 CO -0.19 -0.45 2.08 -0.35 0.00 0.00 0.00 175.76 176.85 1pfm n PRO 58 N 0.63 0.75 0.15 0.00 -0.04 -1.26 -3.87 135.00 131.35 1pfm n PRO 58 Ca -0.19 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.14 1pfm n PRO 58 Cb 0.59 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1pfm n PRO 58 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pfm h LEU 59 N 0.00 -0.30 -1.39 1.53 5.85 -1.95 -2.33 115.31 116.73 1pfm h LEU 59 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1pfm h LEU 59 Cb 0.10 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1pfm h LEU 59 CO 0.00 -0.03 0.00 0.10 -0.34 0.00 0.00 178.44 178.17 1pfm h TYR 60 N -0.56 0.00 0.00 1.25 -0.00 -1.81 -1.78 116.97 114.07 1pfm h TYR 60 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.68 1pfm h TYR 60 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.14 1pfm h TYR 60 CO -0.00 0.00 -0.05 -0.22 -0.00 0.00 0.00 178.16 177.88 1pfm h LYS 61 N 0.00 0.00 0.00 0.10 3.64 -1.57 0.22 116.57 118.96 1pfm h LYS 61 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1pfm h LYS 61 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1pfm h LYS 61 CO 0.00 0.05 -0.65 0.87 -2.27 0.00 0.00 179.45 177.46 1pfm h LYS 62 N 0.00 0.00 0.02 1.90 1.57 -0.89 -1.50 116.57 117.67 1pfm h LYS 62 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pfm h LYS 62 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pfm h LYS 62 CO 0.01 0.65 -0.01 0.82 -0.57 0.00 0.00 179.45 180.34 1pfm h ILE 63 N 0.00 1.40 -0.24 1.86 2.04 -0.99 -0.17 117.51 121.41 1pfm h ILE 63 Ca -0.01 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 1pfm h ILE 63 Cb 1.46 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1pfm h ILE 63 CO 0.08 0.34 -0.04 0.40 0.00 0.00 0.00 178.15 178.94 1pfm h ILE 64 N -0.61 1.27 0.00 -0.67 2.04 -1.38 -0.46 117.51 117.70 1pfm h ILE 64 Ca -0.00 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 1pfm h ILE 64 Cb 0.57 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1pfm h ILE 64 CO 0.00 0.31 -0.13 0.11 0.00 0.00 0.00 178.15 178.45 1pfm h LYS 65 N 0.19 0.00 0.00 2.37 1.57 -1.34 -0.21 116.57 119.16 1pfm h LYS 65 Ca 0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1pfm h LYS 65 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1pfm h LYS 65 CO 0.02 0.13 -0.55 0.87 -0.57 0.00 0.00 179.45 179.35 1pfm h LYS 66 N 0.00 0.00 0.00 3.15 1.57 -0.54 -2.18 116.57 118.57 1pfm h LYS 66 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pfm h LYS 66 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1pfm h LYS 66 CO 0.02 0.55 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.06 1pfm h LEU 67 N 0.00 0.00 0.17 2.94 3.38 0.54 -3.31 115.31 119.03 1pfm h LEU 67 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 1pfm h LEU 67 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1pfm h LEU 67 CO 0.07 0.02 -1.77 -0.07 0.09 0.00 0.00 178.44 176.78 1pfm h LEU 68 N 0.00 0.57 -1.80 1.67 3.38 -1.02 -3.29 115.31 114.81 1pfm h LEU 68 Ca -0.00 -0.89 0.16 0.00 0.09 0.00 0.00 57.88 57.23 1pfm h LEU 68 Cb 1.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1pfm h LEU 68 CO 0.00 1.76 0.60 1.05 0.09 0.00 0.00 178.44 181.95 1pfm h GLU 69 N 0.10 0.00 -0.02 1.13 -0.00 -1.48 -3.51 114.58 110.80 1pfm h GLU 69 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 1pfm h GLU 69 Cb 2.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.84 1pfm h GLU 69 CO 0.16 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.60