#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dls s SER 2 N 0.00 4.49 -0.15 1.61 0.15 -1.26 -5.10 113.70 113.45 2dls s SER 2 Ca 0.00 0.90 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 2dls s SER 2 Cb 0.00 -1.46 0.12 0.00 -1.71 0.00 0.00 66.02 62.97 2dls s SER 2 CO 0.00 -1.92 0.98 -0.94 1.20 0.00 0.00 173.24 172.55 2dls s SER 3 N -4.42 -0.38 0.00 5.45 1.04 -1.26 -5.17 113.70 108.97 2dls s SER 3 Ca 0.62 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2dls s SER 3 Cb -0.12 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2dls s SER 3 CO 0.50 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2dls n GLY 4 N 0.68 0.67 3.20 7.32 0.00 -1.26 -5.12 105.19 110.68 2dls n GLY 4 Ca -0.10 0.62 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 2dls n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dls s SER 5 N 0.00 2.58 0.05 1.61 0.15 -1.26 -5.14 113.70 111.70 2dls s SER 5 Ca 0.00 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.29 2dls s SER 5 Cb 0.00 -0.67 -0.03 0.00 -1.71 0.00 0.00 66.02 63.62 2dls s SER 5 CO 0.00 0.20 -0.17 -0.55 1.20 0.00 0.00 173.24 173.92 2dls s SER 6 N -0.11 2.09 0.00 5.45 0.15 -1.26 -5.10 113.70 114.92 2dls s SER 6 Ca -0.02 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2dls s SER 6 Cb -0.12 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2dls s SER 6 CO 0.02 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dls n GLY 7 N 1.68 -0.70 3.62 9.45 0.00 -1.26 -5.07 105.19 112.91 2dls n GLY 7 Ca -0.18 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2dls n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dls s VAL 8 N -4.00 4.74 0.01 1.61 1.01 -1.26 -4.96 120.40 117.54 2dls s VAL 8 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.34 2dls s VAL 8 Cb 0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2dls s VAL 8 CO 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 175.10 174.79 2dls s GLN 9 N 3.08 2.66 0.29 2.72 -2.07 -1.26 -1.57 119.66 123.52 2dls s GLN 9 Ca 0.35 -0.68 0.10 0.00 -1.82 0.00 0.00 55.36 53.32 2dls s GLN 9 Cb -0.14 -2.58 -0.06 0.00 -1.09 0.00 0.00 33.01 29.14 2dls s GLN 9 CO 0.12 0.61 -0.14 0.50 -1.32 0.00 0.00 175.29 175.06 2dls s ARG 10 N -1.54 1.66 -0.19 9.60 3.52 0.49 -4.97 118.95 127.53 2dls s ARG 10 Ca 0.19 -1.80 -0.02 0.00 -0.13 0.00 0.00 55.73 53.96 2dls s ARG 10 Cb -0.11 -1.59 -0.01 0.00 -1.56 0.00 0.00 34.95 31.68 2dls s ARG 10 CO 0.09 0.22 -0.08 0.00 -0.81 0.00 0.00 175.30 174.72 2dls s VAL 12 N 1.15 0.84 -0.07 0.00 0.11 -1.01 -5.03 120.40 116.39 2dls s VAL 12 Ca 0.01 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 2dls s VAL 12 Cb -0.14 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2dls s VAL 12 CO -0.02 0.25 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.20 2dls s ILE 13 N 0.00 1.48 -0.19 7.04 1.01 -1.26 -1.85 121.20 127.43 2dls s ILE 13 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 2dls s ILE 13 Cb -0.07 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2dls s ILE 13 CO 0.00 0.43 -0.09 -0.63 0.00 0.00 0.00 174.94 174.65 2dls s ILE 14 N 0.47 3.12 -0.27 2.92 1.01 -1.24 -4.91 121.20 122.29 2dls s ILE 14 Ca -0.14 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 2dls s ILE 14 Cb -0.16 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2dls s ILE 14 CO 0.05 0.47 0.15 0.00 0.00 0.00 0.00 174.94 175.61 2dls s GLN 15 N 1.12 3.83 0.14 2.79 -2.07 -1.26 -3.12 119.66 121.09 2dls s GLN 15 Ca 0.01 -0.39 -0.30 0.00 -1.82 0.00 0.00 55.36 52.87 2dls s GLN 15 Cb -0.14 -3.56 -0.17 0.00 -1.09 0.00 0.00 33.01 28.05 2dls s GLN 15 CO -0.02 -0.20 0.64 0.36 -1.32 0.00 0.00 175.29 174.75 2dls n LYS 16 N 5.02 0.00 0.00 9.60 2.85 -0.85 -4.93 118.16 129.85 2dls n LYS 16 Ca -0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2dls n LYS 16 Cb 0.52 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.82 2dls n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dls n ASP 17 N 1.76 0.00 0.04 -5.58 2.03 -1.26 -4.92 116.55 108.61 2dls n ASP 17 Ca 0.18 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.48 2dls n ASP 17 Cb 0.19 -0.29 -0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2dls n ASP 17 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2dls n GLN 18 N -2.41 0.04 0.04 -0.67 7.27 -1.26 -4.86 117.38 115.53 2dls n GLN 18 Ca 0.00 0.02 -0.17 0.00 0.07 0.00 0.00 57.00 56.91 2dls n GLN 18 Cb 0.00 -0.57 -0.14 0.00 2.41 0.00 0.00 30.24 31.94 2dls n GLN 18 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2dls h HIS 19 N -0.08 0.42 0.00 3.69 3.86 -2.01 -3.49 115.15 117.55 2dls h HIS 19 Ca -0.00 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2dls h HIS 19 Cb 0.12 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2dls h HIS 19 CO -0.03 1.45 0.00 0.41 0.86 0.00 0.00 177.93 180.62 2dls n GLY 20 N 1.75 3.13 3.32 2.45 0.00 -1.26 -5.09 105.19 109.48 2dls n GLY 20 Ca -0.21 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 2dls n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dls s PHE 21 N 0.00 -0.30 -0.29 1.61 0.08 -1.26 -3.78 117.98 114.03 2dls s PHE 21 Ca 0.00 0.47 0.14 0.00 0.12 0.00 0.00 56.93 57.65 2dls s PHE 21 Cb 0.00 0.19 0.48 0.00 -0.57 0.00 0.00 43.02 43.11 2dls s PHE 21 CO 0.00 -0.46 1.13 0.41 -0.10 0.00 0.00 175.22 176.20 2dls n GLY 22 N 1.10 4.25 2.86 4.36 0.00 -1.26 -4.88 105.19 111.62 2dls n GLY 22 Ca -0.21 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.68 2dls n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dls s PHE 23 N -3.64 0.44 -0.10 1.61 -0.71 -1.26 -0.68 117.98 113.64 2dls s PHE 23 Ca 0.40 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.22 2dls s PHE 23 Cb 0.38 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.72 2dls s PHE 23 CO -0.01 -0.12 -0.09 0.95 -1.34 0.00 0.00 175.22 174.61 2dls s THR 24 N 0.75 3.46 0.40 -4.49 -4.23 -1.00 -5.02 115.64 105.51 2dls s THR 24 Ca -0.08 -0.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.96 2dls s THR 24 Cb -0.11 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.23 2dls s THR 24 CO -0.01 0.56 0.07 0.68 -0.54 0.00 0.00 174.62 175.38 2dls s VAL 25 N -0.28 2.22 -0.20 2.29 -7.23 -1.26 0.85 120.40 116.78 2dls s VAL 25 Ca 0.03 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 2dls s VAL 25 Cb -0.13 -2.95 0.13 0.00 0.56 0.00 0.00 36.38 34.00 2dls s VAL 25 CO 0.03 -0.04 1.04 -0.55 -0.31 0.00 0.00 175.10 175.26 2dls s SER 26 N -3.78 -0.36 0.00 4.85 0.15 -0.72 -4.73 113.70 109.11 2dls s SER 26 Ca 0.37 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2dls s SER 26 Cb 0.06 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2dls s SER 26 CO 0.20 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dls n GLY 27 N 1.16 3.66 0.27 9.45 0.00 -1.26 -1.22 105.19 117.26 2dls n GLY 27 Ca -0.10 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 2dls n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dls h ASP 28 N 0.00 -0.53 0.00 1.61 5.19 -1.97 -3.16 116.42 117.55 2dls h ASP 28 Ca 0.00 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.28 2dls h ASP 28 Cb 0.00 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 2dls h ASP 28 CO 0.00 -0.36 -1.25 0.54 -3.12 0.00 0.00 179.24 175.05 2dls n ARG 29 N -5.35 0.29 -2.99 3.56 5.12 -1.26 -3.57 116.66 112.46 2dls n ARG 29 Ca -0.12 0.12 -0.44 0.00 -1.93 0.00 0.00 57.85 55.49 2dls n ARG 29 Cb 0.27 -1.00 -0.01 0.00 -1.16 0.00 0.00 32.46 30.56 2dls n ARG 29 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2dls s ILE 30 N -2.36 5.10 0.18 0.55 -1.09 -1.26 -4.66 121.20 117.66 2dls s ILE 30 Ca -0.18 -2.54 -0.32 0.00 -2.23 0.00 0.00 60.65 55.38 2dls s ILE 30 Cb 0.05 -4.85 -0.11 0.00 -1.58 0.00 0.00 42.46 35.98 2dls s ILE 30 CO 0.24 -1.54 1.63 -0.69 -1.23 0.00 0.00 174.94 173.35 2dls s VAL 31 N 1.44 2.41 0.01 2.92 1.01 -1.26 -4.58 120.40 122.35 2dls s VAL 31 Ca 0.39 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2dls s VAL 31 Cb -0.04 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2dls s VAL 31 CO -0.03 0.02 -0.03 -0.76 0.00 0.00 0.00 175.10 174.31 2dls s LEU 32 N 1.19 2.14 -0.20 3.92 1.43 -0.36 -3.34 118.68 123.47 2dls s LEU 32 Ca 0.72 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 2dls s LEU 32 Cb -0.46 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 2dls s LEU 32 CO 0.32 -0.15 1.90 -0.69 0.23 0.00 0.00 176.35 177.96 2dls s VAL 33 N -0.83 3.32 0.02 -1.59 1.01 -0.83 -1.75 120.40 119.75 2dls s VAL 33 Ca -0.08 0.35 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 2dls s VAL 33 Cb -0.06 -3.36 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 2dls s VAL 33 CO -0.00 -0.18 1.32 -0.61 0.00 0.00 0.00 175.10 175.63 2dls h GLN 34 N 12.54 -0.34 -3.49 2.72 5.75 0.17 0.80 115.11 133.26 2dls h GLN 34 Ca -0.39 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.09 2dls h GLN 34 Cb 1.20 0.08 -0.11 0.00 1.07 0.00 0.00 27.48 29.72 2dls h GLN 34 CO 0.98 -0.04 -0.08 0.45 -2.65 0.00 0.00 178.83 177.49 2dls s SER 35 N -5.11 -0.16 -0.16 -0.69 0.15 -1.13 -4.66 113.70 101.93 2dls s SER 35 Ca -0.15 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 55.89 2dls s SER 35 Cb 0.03 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.91 2dls s SER 35 CO 0.58 -0.99 0.01 -0.69 1.20 0.00 0.00 173.24 173.35 2dls s VAL 36 N -3.90 0.60 0.15 4.45 1.01 -1.26 -2.38 120.40 119.07 2dls s VAL 36 Ca 0.11 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2dls s VAL 36 Cb 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 36.38 35.24 2dls s VAL 36 CO -0.02 -0.05 0.68 -1.14 0.00 0.00 0.00 175.10 174.56 2dls n ARG 37 N 5.04 0.02 0.00 2.72 0.63 0.14 -4.78 116.66 120.43 2dls n ARG 37 Ca -0.09 0.01 0.07 0.00 -0.92 0.00 0.00 57.85 56.92 2dls n ARG 37 Cb 0.48 -1.15 0.39 0.00 0.45 0.00 0.00 32.46 32.63 2dls n ARG 37 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2dls n PRO 38 N 1.14 0.25 -2.58 -0.14 -0.04 -1.26 -3.65 135.00 128.71 2dls n PRO 38 Ca 0.18 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 2dls n PRO 38 Cb 0.21 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.27 2dls n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dls n GLY 39 N -0.03 1.21 0.00 0.55 0.00 -1.26 -5.07 105.19 100.60 2dls n GLY 39 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2dls n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dls n GLY 40 N -0.93 0.98 0.04 -0.02 0.00 -1.24 -5.07 105.19 98.95 2dls n GLY 40 Ca -0.11 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2dls n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls n ALA 41 N -3.00 1.81 0.23 4.61 0.00 -1.26 -4.52 120.51 118.38 2dls n ALA 41 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 2dls n ALA 41 Cb 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 2dls n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dls h ALA 42 N 0.08 -0.56 -0.31 0.00 0.00 -1.93 -2.92 119.26 113.63 2dls h ALA 42 Ca -0.20 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2dls h ALA 42 Cb 1.34 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 2dls h ALA 42 CO -0.02 -0.82 -0.28 1.98 0.00 0.00 0.00 179.25 180.10 2dls h MET 43 N -0.57 -0.25 -1.02 0.00 -1.53 -1.80 0.14 114.93 109.90 2dls h MET 43 Ca -0.04 0.02 0.32 0.00 -3.44 0.00 0.00 59.70 56.56 2dls h MET 43 Cb 0.46 0.06 -0.14 0.00 -0.55 0.00 0.00 31.60 31.42 2dls h MET 43 CO 0.05 -0.17 0.59 0.87 0.14 0.00 0.00 176.91 178.39 2dls h LYS 44 N -0.26 0.32 -0.04 0.39 1.57 -1.76 1.12 116.57 117.91 2dls h LYS 44 Ca 0.15 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 2dls h LYS 44 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2dls h LYS 44 CO -0.45 0.21 -0.49 0.00 -0.57 0.00 0.00 179.45 178.15 2dls h ALA 45 N 1.82 1.11 0.00 3.86 0.00 -0.80 -3.47 119.26 121.78 2dls h ALA 45 Ca 0.73 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dls h ALA 45 Cb 1.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2dls h ALA 45 CO -0.58 0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2dls n GLY 46 N -0.07 1.00 3.84 0.00 0.00 0.39 -5.00 105.19 105.35 2dls n GLY 46 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2dls n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dls s VAL 47 N -2.00 5.38 0.34 1.61 1.01 -1.14 -5.01 120.40 120.58 2dls s VAL 47 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.45 2dls s VAL 47 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2dls s VAL 47 CO 0.00 0.56 -0.08 -1.59 0.00 0.00 0.00 175.10 173.99 2dls s LYS 48 N -0.70 1.86 0.35 2.72 -2.85 -1.26 -4.52 119.74 115.34 2dls s LYS 48 Ca 0.16 -1.88 -0.26 0.00 -1.00 0.00 0.00 55.97 52.99 2dls s LYS 48 Cb -0.13 -1.76 -0.09 0.00 -2.06 0.00 0.00 37.83 33.78 2dls s LYS 48 CO 0.05 0.16 1.03 -1.21 0.10 0.00 0.00 175.35 175.48 2dls s GLU 49 N -3.62 4.41 -0.10 1.78 8.01 -1.26 -3.87 118.70 124.04 2dls s GLU 49 Ca 0.33 1.52 -0.00 0.00 0.01 0.00 0.00 54.97 56.82 2dls s GLU 49 Cb 0.01 -2.78 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 2dls s GLU 49 CO 0.17 0.08 0.07 0.41 0.01 0.00 0.00 175.26 175.99 2dls n GLY 50 N 0.62 0.72 3.71 -1.39 0.00 0.27 -4.97 105.19 104.17 2dls n GLY 50 Ca 0.03 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2dls n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dls s ASP 51 N -3.00 5.33 0.23 1.61 -1.08 -1.25 -4.84 116.67 113.67 2dls s ASP 51 Ca 0.03 0.11 -0.17 0.00 -0.52 0.00 0.00 52.55 52.01 2dls s ASP 51 Cb -0.01 -1.48 -0.08 0.00 -1.46 0.00 0.00 42.92 39.88 2dls s ASP 51 CO 0.04 0.33 0.68 -0.60 0.52 0.00 0.00 175.17 176.14 2dls s ARG 52 N -1.26 4.10 -0.24 4.34 6.06 -1.26 -1.97 118.95 128.72 2dls s ARG 52 Ca 0.17 0.70 0.01 0.00 -2.50 0.00 0.00 55.73 54.11 2dls s ARG 52 Cb -0.12 -2.77 0.06 0.00 0.06 0.00 0.00 34.95 32.19 2dls s ARG 52 CO 0.07 0.35 -0.07 0.42 -2.50 0.00 0.00 175.30 173.57 2dls s ILE 53 N -1.64 1.72 -0.17 4.11 1.01 -1.21 -3.60 121.20 121.43 2dls s ILE 53 Ca 0.45 -1.34 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 2dls s ILE 53 Cb -0.14 -1.94 -0.18 0.00 0.01 0.00 0.00 42.46 40.21 2dls s ILE 53 CO 0.20 -0.07 0.36 0.40 0.00 0.00 0.00 174.94 175.82 2dls h ILE 54 N 6.69 1.06 -3.39 2.92 2.04 -1.71 -3.45 117.51 121.66 2dls h ILE 54 Ca -0.19 -2.00 -0.66 0.00 1.00 0.00 0.00 64.86 63.02 2dls h ILE 54 Cb 1.06 2.20 -0.17 0.00 -0.74 0.00 0.00 36.82 39.18 2dls h ILE 54 CO 0.43 0.36 -0.77 -0.75 0.00 0.00 0.00 178.15 177.41 2dls s LYS 55 N -2.22 1.86 -0.10 2.37 2.20 -1.26 -2.42 119.74 120.17 2dls s LYS 55 Ca -0.21 -1.25 -0.03 0.00 -0.36 0.00 0.00 55.97 54.12 2dls s LYS 55 Cb 0.02 -2.10 0.04 0.00 -1.51 0.00 0.00 37.83 34.28 2dls s LYS 55 CO 0.53 0.45 0.05 0.08 -0.36 0.00 0.00 175.35 176.10 2dls s VAL 56 N -1.42 0.11 -1.57 4.02 1.01 0.30 -2.34 120.40 120.52 2dls s VAL 56 Ca 0.21 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 2dls s VAL 56 Cb -0.10 -0.48 0.11 0.00 0.00 0.00 0.00 36.38 35.91 2dls s VAL 56 CO 0.12 0.04 0.89 -3.20 0.00 0.00 0.00 175.10 172.94 2dls n ASN 57 N 5.22 -4.34 -0.37 3.32 5.15 0.22 0.01 115.26 124.46 2dls n ASN 57 Ca -0.06 -0.81 -0.04 0.00 -0.60 0.00 0.00 54.58 53.07 2dls n ASN 57 Cb 0.49 -3.50 -0.01 0.00 -0.53 0.00 0.00 39.78 36.23 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dls n GLY 58 N -1.56 0.57 3.22 8.20 0.00 -1.25 -4.84 105.19 109.53 2dls n GLY 58 Ca 0.05 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 2dls n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dls s THR 59 N -2.17 2.17 -0.59 2.61 2.01 0.10 -5.08 115.64 114.68 2dls s THR 59 Ca 0.00 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 60.76 2dls s THR 59 Cb 0.00 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.67 2dls s THR 59 CO 0.00 0.55 1.46 -0.04 -0.69 0.00 0.00 174.62 175.90 2dls s MET 60 N 0.49 3.19 -0.28 4.92 -1.94 -1.26 -0.54 119.30 123.88 2dls s MET 60 Ca -0.15 0.37 0.01 0.00 -1.71 0.00 0.00 55.69 54.22 2dls s MET 60 Cb -0.17 -4.17 0.08 0.00 2.01 0.00 0.00 34.83 32.58 2dls s MET 60 CO 0.05 -2.09 0.02 0.14 -0.01 0.00 0.00 175.02 173.14 2dls s VAL 61 N 6.45 1.42 0.00 -6.03 -7.23 -1.01 -4.91 120.40 109.09 2dls s VAL 61 Ca 0.52 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2dls s VAL 61 Cb -0.11 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2dls s VAL 61 CO 0.23 -0.41 0.00 0.35 -0.31 0.00 0.00 175.10 174.96 2dls n THR 62 N 4.66 0.00 -1.70 5.32 -2.24 -1.26 -4.54 114.28 114.52 2dls n THR 62 Ca -0.05 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 2dls n THR 62 Cb 0.43 -0.27 0.10 0.00 -2.10 0.00 0.00 70.33 68.48 2dls n THR 62 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2dls n ASN 63 N -1.60 4.50 -4.58 3.42 3.02 -1.26 -4.66 115.26 114.10 2dls n ASN 63 Ca 0.00 -3.78 -0.24 0.00 -0.03 0.00 0.00 54.58 50.53 2dls n ASN 63 Cb 0.20 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 2dls n ASN 63 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dls s SER 64 N -2.94 4.13 0.12 6.41 0.15 -1.26 -5.03 113.70 115.27 2dls s SER 64 Ca 0.51 -0.87 -0.24 0.00 0.70 0.00 0.00 55.95 56.05 2dls s SER 64 Cb 0.43 -0.58 -0.07 0.00 -1.71 0.00 0.00 66.02 64.09 2dls s SER 64 CO 0.01 -0.06 0.72 -0.94 1.20 0.00 0.00 173.24 174.17 2dls s SER 65 N -3.63 7.27 0.18 5.45 1.04 -1.23 -4.33 113.70 118.45 2dls s SER 65 Ca 0.32 1.51 -0.22 0.00 0.48 0.00 0.00 55.95 58.04 2dls s SER 65 Cb -0.04 -2.46 0.09 0.00 0.10 0.00 0.00 66.02 63.71 2dls s SER 65 CO 0.18 0.19 1.43 1.57 0.98 0.00 0.00 173.24 177.60 2dls n HIS 66 N 1.85 -0.18 -0.31 5.02 -0.00 -1.19 0.60 115.22 121.00 2dls n HIS 66 Ca -0.06 1.15 0.15 0.00 0.46 0.00 0.00 57.72 59.42 2dls n HIS 66 Cb 0.49 -0.72 0.30 0.00 -0.12 0.00 0.00 29.99 29.94 2dls n HIS 66 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2dls n LEU 67 N -5.27 -0.06 0.03 0.27 0.00 -1.26 0.55 117.00 111.25 2dls n LEU 67 Ca 0.06 1.54 -0.13 0.00 0.00 0.00 0.00 56.01 57.48 2dls n LEU 67 Cb 0.31 -0.58 -0.09 0.00 0.00 0.00 0.00 43.42 43.06 2dls n LEU 67 CO -0.14 -1.58 0.72 -0.33 0.00 0.00 0.00 177.39 176.06 2dls h GLU 68 N 0.00 -0.04 -0.92 1.96 3.07 -0.23 -3.08 114.58 115.34 2dls h GLU 68 Ca 0.57 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.54 2dls h GLU 68 Cb 1.23 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 29.07 2dls h GLU 68 CO -0.84 0.24 0.56 0.28 -1.40 0.00 0.00 179.01 177.85 2dls h VAL 69 N -0.33 0.93 -0.84 3.13 2.07 0.56 -2.70 116.25 119.05 2dls h VAL 69 Ca -0.00 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.30 2dls h VAL 69 Cb 0.30 -0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 29.89 2dls h VAL 69 CO 0.01 0.17 -0.52 0.58 0.02 0.00 0.00 177.57 177.83 2dls h VAL 70 N 0.91 0.02 -0.92 2.57 2.07 -0.57 0.28 116.25 120.61 2dls h VAL 70 Ca 0.44 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.21 2dls h VAL 70 Cb 0.40 0.02 -0.17 0.00 -1.52 0.00 0.00 31.29 30.02 2dls h VAL 70 CO -0.25 0.00 0.05 0.11 0.02 0.00 0.00 177.57 177.50 2dls h LYS 71 N -0.09 0.06 -0.84 1.57 1.57 -1.56 1.02 116.57 118.29 2dls h LYS 71 Ca 0.19 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2dls h LYS 71 Cb 0.50 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 2dls h LYS 71 CO -0.86 0.04 0.55 -0.07 -0.57 0.00 0.00 179.45 178.54 2dls h LEU 72 N 0.06 0.86 -0.81 2.94 3.38 -0.55 -1.33 115.31 119.86 2dls h LEU 72 Ca 0.55 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.39 2dls h LEU 72 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2dls h LEU 72 CO -0.83 0.58 -0.52 0.40 0.09 0.00 0.00 178.44 178.15 2dls h ILE 73 N 0.99 1.36 -1.61 1.22 2.04 0.15 -3.22 117.51 118.44 2dls h ILE 73 Ca 0.35 -1.80 -0.68 0.00 1.00 0.00 0.00 64.86 63.73 2dls h ILE 73 Cb 0.12 1.89 -0.22 0.00 -0.74 0.00 0.00 36.82 37.88 2dls h ILE 73 CO -0.12 0.53 1.04 0.29 0.00 0.00 0.00 178.15 179.90 2dls n LYS 74 N -3.93 3.38 -3.69 2.37 5.02 -0.33 -4.87 118.16 116.11 2dls n LYS 74 Ca -0.02 -3.33 -0.10 0.00 -2.02 0.00 0.00 58.31 52.85 2dls n LYS 74 Cb 0.55 -2.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.14 2dls n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dls s SER 75 N -0.44 -0.45 0.00 4.39 0.15 -1.22 -4.94 113.70 111.20 2dls s SER 75 Ca 0.52 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2dls s SER 75 Cb 0.34 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 2dls s SER 75 CO -0.26 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2dls n GLY 76 N 4.54 -2.12 0.09 9.45 0.00 -1.26 -4.57 105.19 111.33 2dls n GLY 76 Ca -0.20 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 2dls n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls h ALA 77 N 0.00 0.62 -2.39 4.61 0.00 -1.97 -3.48 119.26 116.64 2dls h ALA 77 Ca 0.00 -1.35 -0.17 0.00 0.00 0.00 0.00 54.91 53.38 2dls h ALA 77 Cb 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 2dls h ALA 77 CO 0.00 1.46 -0.65 1.52 0.00 0.00 0.00 179.25 181.57 2dls s TYR 78 N -2.61 0.80 -0.12 0.00 1.13 -1.26 -2.01 117.35 113.29 2dls s TYR 78 Ca -0.07 -1.20 -0.00 0.00 -1.41 0.00 0.00 57.07 54.39 2dls s TYR 78 Cb 0.08 -0.47 0.03 0.00 -1.10 0.00 0.00 41.96 40.50 2dls s TYR 78 CO 0.82 -0.48 -0.08 0.54 -2.51 0.00 0.00 175.55 173.84 2dls s VAL 79 N -4.01 1.08 -0.46 -3.49 0.11 -1.18 -4.95 120.40 107.49 2dls s VAL 79 Ca 0.21 -0.33 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 2dls s VAL 79 Cb 0.08 -1.09 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2dls s VAL 79 CO -0.01 0.37 0.95 0.00 -3.33 0.00 0.00 175.10 173.08 2dls s ALA 80 N 1.69 3.23 0.04 1.54 0.00 -1.26 -3.69 121.76 123.31 2dls s ALA 80 Ca 0.05 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2dls s ALA 80 Cb -0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 2dls s ALA 80 CO -0.08 -2.08 -0.03 -0.51 0.00 0.00 0.00 175.76 173.06 2dls s LEU 81 N 3.84 3.36 -0.54 0.00 1.43 -0.77 0.70 118.68 126.70 2dls s LEU 81 Ca 0.38 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2dls s LEU 81 Cb -0.10 -2.00 0.14 0.00 0.03 0.00 0.00 46.19 44.26 2dls s LEU 81 CO 0.27 0.24 0.40 -0.89 0.23 0.00 0.00 176.35 176.60 2dls s THR 82 N -1.14 4.11 -0.20 5.49 2.01 -0.99 -2.39 115.64 122.52 2dls s THR 82 Ca 0.21 -2.21 -0.24 0.00 0.31 0.00 0.00 61.69 59.76 2dls s THR 82 Cb -0.11 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2dls s THR 82 CO 0.12 -0.82 0.77 -0.76 -0.69 0.00 0.00 174.62 173.24 2dls s LEU 83 N 0.82 4.13 -0.14 4.42 1.43 -0.99 -2.35 118.68 126.00 2dls s LEU 83 Ca 0.10 1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2dls s LEU 83 Cb -0.22 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 2dls s LEU 83 CO -0.03 -0.40 -0.12 -0.22 0.23 0.00 0.00 176.35 175.80 2dls s LEU 84 N 2.32 2.72 0.00 1.79 0.20 -1.24 -0.38 118.68 124.10 2dls s LEU 84 Ca 0.34 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.82 2dls s LEU 84 Cb -0.16 -1.62 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2dls s LEU 84 CO 0.10 0.15 0.00 0.61 -0.29 0.00 0.00 176.35 176.92 2dls n GLY 85 N 3.65 3.50 3.20 7.98 0.00 -0.61 -4.45 105.19 118.46 2dls n GLY 85 Ca -0.18 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2dls n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dls s SER 86 N 0.00 2.94 -1.69 1.61 0.01 -1.26 -4.73 113.70 110.59 2dls s SER 86 Ca 0.00 -0.53 -0.14 0.00 1.31 0.00 0.00 55.95 56.60 2dls s SER 86 Cb 0.00 -1.32 0.13 0.00 0.21 0.00 0.00 66.02 65.04 2dls s SER 86 CO 0.00 0.15 0.50 -0.24 0.41 0.00 0.00 173.24 174.06 2dls n SER 87 N 3.52 -1.44 -4.56 2.44 2.88 -1.26 -4.91 113.62 110.30 2dls n SER 87 Ca -0.19 -1.15 -0.36 0.00 -1.33 0.00 0.00 58.87 55.84 2dls n SER 87 Cb 0.53 -2.16 -0.11 0.00 -0.75 0.00 0.00 64.21 61.71 2dls n SER 87 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dls s SER 88 N -3.68 5.50 0.00 -3.46 0.15 -1.26 -5.00 113.70 105.95 2dls s SER 88 Ca 0.50 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2dls s SER 88 Cb -0.28 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2dls s SER 88 CO 0.97 0.06 0.00 0.61 1.20 0.00 0.00 173.24 176.09 2dls n GLY 89 N 4.27 3.50 3.77 9.45 0.00 -1.26 -5.10 105.19 119.83 2dls n GLY 89 Ca -0.16 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 2dls n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dls s PRO 90 N -4.26 3.01 -0.04 1.61 0.04 -1.26 -5.06 135.00 129.04 2dls s PRO 90 Ca 0.00 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.53 2dls s PRO 90 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2dls s PRO 90 CO 0.00 -1.09 -0.08 -1.54 0.04 0.00 0.00 177.00 174.33 2dls s SER 91 N -2.28 1.19 -0.31 6.66 1.04 -1.26 -5.09 113.70 113.66 2dls s SER 91 Ca 0.69 -0.18 -0.35 0.00 0.48 0.00 0.00 55.95 56.58 2dls s SER 91 Cb -0.22 -0.44 -0.12 0.00 0.10 0.00 0.00 66.02 65.35 2dls s SER 91 CO 0.36 0.02 2.11 -1.54 0.98 0.00 0.00 173.24 175.17 2dls n SER 92 N 3.61 2.34 0.00 7.02 3.41 -1.26 -5.33 113.62 123.41 2dls n SER 92 Ca -0.21 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2dls n SER 92 Cb 0.53 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 2dls n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49