#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl s SER 2 N 0.00 6.14 0.12 1.61 0.15 -1.26 -5.05 113.70 115.42 1udl s SER 2 Ca 0.00 0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.55 1udl s SER 2 Cb 0.00 -2.16 0.08 0.00 -1.71 0.00 0.00 66.02 62.23 1udl s SER 2 CO 0.00 -0.09 0.65 -0.94 1.20 0.00 0.00 173.24 174.07 1udl s SER 3 N 1.58 -0.54 0.59 5.45 1.04 -1.26 -5.14 113.70 115.43 1udl s SER 3 Ca 0.11 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1udl s SER 3 Cb -0.16 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1udl s SER 3 CO 0.10 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1udl n GLY 4 N -0.31 -4.40 3.62 7.32 0.00 -1.26 -4.69 105.19 105.47 1udl n GLY 4 Ca -0.16 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1udl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1udl s SER 5 N -4.61 6.27 -0.22 1.61 1.04 -1.26 -4.98 113.70 111.54 1udl s SER 5 Ca 0.00 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 57.78 1udl s SER 5 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1udl s SER 5 CO 0.00 -1.38 0.11 -0.44 0.98 0.00 0.00 173.24 172.51 1udl s SER 6 N 4.59 5.85 0.00 7.02 0.01 -1.26 -5.05 113.70 124.86 1udl s SER 6 Ca 0.72 0.07 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1udl s SER 6 Cb -0.23 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1udl s SER 6 CO 0.30 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1udl n GLY 7 N 4.04 1.81 3.37 3.44 0.00 -1.26 -4.88 105.19 111.71 1udl n GLY 7 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1udl n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1udl s GLN 8 N 0.00 2.90 -0.04 1.61 -1.52 -1.26 -5.07 119.66 116.28 1udl s GLN 8 Ca 0.00 -1.01 0.05 0.00 -1.95 0.00 0.00 55.36 52.44 1udl s GLN 8 Cb 0.00 -3.63 -0.01 0.00 -0.22 0.00 0.00 33.01 29.16 1udl s GLN 8 CO 0.00 -0.62 -0.18 -1.59 -0.25 0.00 0.00 175.29 172.64 1udl s LYS 9 N 1.53 1.80 -0.01 2.91 -2.85 -1.26 -5.05 119.74 116.82 1udl s LYS 9 Ca 0.02 -0.65 -0.06 0.00 -1.00 0.00 0.00 55.97 54.28 1udl s LYS 9 Cb -0.19 -1.60 -0.02 0.00 -2.06 0.00 0.00 37.83 33.96 1udl s LYS 9 CO 0.06 0.30 -0.11 0.41 0.10 0.00 0.00 175.35 176.10 1udl n GLY 10 N 3.00 -0.20 3.45 0.59 0.00 -1.26 -5.04 105.19 105.73 1udl n GLY 10 Ca -0.17 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 1udl n GLY 10 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1udl n TRP 11 N -3.76 -0.36 -4.36 1.61 -0.00 -1.26 -4.96 117.44 104.35 1udl n TRP 11 Ca -0.06 0.71 -0.34 0.00 -0.00 0.00 0.00 57.50 57.81 1udl n TRP 11 Cb 0.23 -2.01 -0.15 0.00 -0.00 0.00 0.00 31.31 29.39 1udl n TRP 11 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 177.69 177.10 1udl s PHE 12 N -1.31 2.83 0.65 5.87 -0.71 -1.26 -5.12 117.98 118.92 1udl s PHE 12 Ca 0.62 -1.04 -0.11 0.00 -1.04 0.00 0.00 56.93 55.36 1udl s PHE 12 Cb -0.70 -1.94 0.16 0.00 -1.21 0.00 0.00 43.02 39.33 1udl s PHE 12 CO 0.59 -0.50 0.58 -0.35 -1.34 0.00 0.00 175.22 174.19 1udl n PRO 13 N 4.24 -2.15 -3.69 1.99 -0.04 -1.26 -5.02 135.00 129.07 1udl n PRO 13 Ca -0.19 -0.92 -0.27 0.00 -0.04 0.00 0.00 63.50 62.07 1udl n PRO 13 Cb 0.51 -0.86 -0.11 0.00 -0.04 0.00 0.00 33.50 33.00 1udl n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl n ALA 14 N -3.99 3.48 -1.80 0.55 0.00 -1.26 -5.10 120.51 112.39 1udl n ALA 14 Ca -0.11 -4.38 -0.34 0.00 0.00 0.00 0.00 53.44 48.62 1udl n ALA 14 Cb 0.31 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 1udl n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1udl s SER 15 N -1.54 6.55 0.83 0.00 0.15 -1.26 -5.03 113.70 113.40 1udl s SER 15 Ca 0.30 1.83 -0.11 0.00 0.70 0.00 0.00 55.95 58.67 1udl s SER 15 Cb 0.03 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.88 1udl s SER 15 CO -0.13 -0.64 1.12 -2.28 1.20 0.00 0.00 173.24 172.52 1udl s HIS 16 N -2.09 2.10 -0.24 3.44 2.46 -1.26 -5.01 115.29 114.69 1udl s HIS 16 Ca 0.65 1.67 -0.09 0.00 0.47 0.00 0.00 55.06 57.76 1udl s HIS 16 Cb -0.13 -3.21 -0.04 0.00 -0.13 0.00 0.00 32.58 29.06 1udl s HIS 16 CO 0.18 -2.32 0.13 0.54 -2.47 0.00 0.00 174.74 170.81 1udl s VAL 17 N -2.73 5.01 -0.55 0.89 0.11 -1.26 -5.00 120.40 116.88 1udl s VAL 17 Ca 0.65 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.79 1udl s VAL 17 Cb -0.20 -3.33 0.40 0.00 -1.53 0.00 0.00 36.38 31.71 1udl s VAL 17 CO 0.56 0.35 1.33 2.29 -3.33 0.00 0.00 175.10 176.30 1udl n LYS 18 N 4.44 3.28 -2.24 1.54 0.00 -1.26 -5.06 118.16 118.87 1udl n LYS 18 Ca -0.15 -4.28 -0.39 0.00 -0.00 0.00 0.00 58.31 53.48 1udl n LYS 18 Cb 0.52 -2.26 -0.02 0.00 -0.00 0.00 0.00 35.03 33.27 1udl n LYS 18 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1udl s LEU 19 N -3.67 4.28 -1.56 -5.58 0.05 -1.26 -3.21 118.68 107.73 1udl s LEU 19 Ca 0.49 2.46 -0.09 0.00 0.05 0.00 0.00 54.13 57.03 1udl s LEU 19 Cb 0.41 -3.88 0.08 0.00 -2.05 0.00 0.00 46.19 40.74 1udl s LEU 19 CO -0.24 -0.62 0.60 0.18 -0.55 0.00 0.00 176.35 175.72 1udl n LEU 20 N 0.35 -1.94 -4.87 1.48 4.77 -1.26 -4.94 117.00 110.59 1udl n LEU 20 Ca 0.03 -1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 54.70 1udl n LEU 20 Cb 0.45 -2.15 -0.05 0.00 -2.33 0.00 0.00 43.42 39.34 1udl n LEU 20 CO 0.54 0.37 -0.18 -0.83 -1.33 0.00 0.00 177.39 175.95 1udl s GLY 21 N -3.81 2.01 0.98 -0.72 0.00 -1.20 -5.11 107.32 99.47 1udl s GLY 21 Ca 0.38 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.98 1udl s GLY 21 CO 0.91 -0.95 0.87 -1.55 0.00 0.00 0.00 173.10 172.38 1udl n PRO 22 N 0.13 -2.72 0.09 2.90 -0.04 -1.26 -4.97 135.00 129.13 1udl n PRO 22 Ca -0.07 -1.40 -0.03 0.00 -0.04 0.00 0.00 63.50 61.96 1udl n PRO 22 Cb 0.52 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 1udl n PRO 22 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1udl h SER 23 N -2.38 0.00 -3.59 3.54 4.64 -2.03 -3.39 113.55 110.34 1udl h SER 23 Ca -0.33 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.37 1udl h SER 23 Cb 1.00 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.68 1udl h SER 23 CO 0.22 0.80 -0.63 -0.94 -0.87 0.00 0.00 176.83 175.41 1udl s SER 24 N -6.60 4.38 -0.19 4.97 1.04 -1.26 -5.06 113.70 110.98 1udl s SER 24 Ca 0.02 -3.40 0.00 0.00 0.48 0.00 0.00 55.95 53.06 1udl s SER 24 Cb 0.09 -1.53 0.02 0.00 0.10 0.00 0.00 66.02 64.70 1udl s SER 24 CO 0.79 -0.16 -0.17 -0.70 0.98 0.00 0.00 173.24 173.98 1udl s GLU 25 N -0.80 3.00 0.12 4.02 -6.30 -1.26 -5.11 118.70 112.36 1udl s GLU 25 Ca 0.22 -0.83 -0.16 0.00 -2.50 0.00 0.00 54.97 51.70 1udl s GLU 25 Cb -0.14 -2.65 -0.07 0.00 0.00 0.00 0.00 34.13 31.27 1udl s GLU 25 CO -0.09 -0.23 0.55 -0.98 0.02 0.00 0.00 175.26 174.53 1udl s ARG 26 N 1.30 4.04 0.05 4.30 1.70 -1.26 -5.09 118.95 123.99 1udl s ARG 26 Ca 0.04 0.55 0.06 0.00 -0.47 0.00 0.00 55.73 55.91 1udl s ARG 26 Cb -0.14 -3.03 -0.03 0.00 -0.57 0.00 0.00 34.95 31.19 1udl s ARG 26 CO -0.11 0.54 -0.16 0.00 -1.08 0.00 0.00 175.30 174.48 1udl s ALA 27 N -1.35 1.34 0.13 7.88 0.00 -1.26 -5.14 121.76 123.36 1udl s ALA 27 Ca 0.35 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 1udl s ALA 27 Cb -0.16 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 1udl s ALA 27 CO 0.19 0.26 0.52 0.95 0.00 0.00 0.00 175.76 177.68 1udl s THR 28 N -0.96 4.89 -2.00 0.00 -4.23 -1.26 -4.96 115.64 107.13 1udl s THR 28 Ca 0.02 0.80 0.12 0.00 -1.18 0.00 0.00 61.69 61.46 1udl s THR 28 Cb -0.09 -3.73 0.35 0.00 1.34 0.00 0.00 72.50 70.38 1udl s THR 28 CO 0.02 0.28 1.17 -0.81 -0.54 0.00 0.00 174.62 174.74 1udl n PRO 29 N 0.91 0.49 -2.62 3.99 -0.04 -1.26 -4.60 135.00 131.87 1udl n PRO 29 Ca -0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 1udl n PRO 29 Cb 0.52 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1udl n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl s ALA 30 N -2.00 2.84 0.68 0.55 0.00 -1.26 -5.00 121.76 117.56 1udl s ALA 30 Ca 0.19 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.47 1udl s ALA 30 Cb 0.09 -4.23 0.11 0.00 0.00 0.00 0.00 23.12 19.09 1udl s ALA 30 CO 0.14 -3.25 0.94 -0.59 0.00 0.00 0.00 175.76 173.00 1udl s PHE 31 N 5.15 1.65 -0.36 0.00 -0.71 -1.26 -5.09 117.98 117.35 1udl s PHE 31 Ca 0.35 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.89 1udl s PHE 31 Cb -0.08 -2.82 0.12 0.00 -1.21 0.00 0.00 43.02 39.03 1udl s PHE 31 CO 0.08 -1.54 0.17 -3.38 -1.34 0.00 0.00 175.22 169.21 1udl s HIS 32 N -3.02 1.62 1.11 3.49 -3.43 -1.26 -5.13 115.29 108.67 1udl s HIS 32 Ca 0.65 -1.95 -0.16 0.00 -0.80 0.00 0.00 55.06 52.80 1udl s HIS 32 Cb -0.06 -1.64 0.24 0.00 -1.43 0.00 0.00 32.58 29.70 1udl s HIS 32 CO 0.43 -0.83 1.10 -1.25 -2.00 0.00 0.00 174.74 172.18 1udl s PRO 33 N 1.09 -0.49 -0.04 -0.38 0.04 -1.26 -4.99 135.00 128.97 1udl s PRO 33 Ca 0.14 0.20 0.12 0.00 0.04 0.00 0.00 61.00 61.50 1udl s PRO 33 Cb -0.21 -1.66 -0.23 0.00 0.04 0.00 0.00 34.50 32.44 1udl s PRO 33 CO -0.12 -3.28 0.67 1.33 0.04 0.00 0.00 177.00 175.64 1udl n VAL 34 N -4.50 1.62 -3.83 -0.36 0.24 0.13 -4.94 118.33 106.69 1udl n VAL 34 Ca 0.09 -0.79 -0.02 0.00 -2.04 0.00 0.00 64.34 61.58 1udl n VAL 34 Cb 0.58 -1.06 0.01 0.00 -1.47 0.00 0.00 33.84 31.90 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1udl s GLN 36 N -2.46 2.65 0.38 0.00 0.74 -1.26 -0.76 119.66 118.94 1udl s GLN 36 Ca 0.19 -0.72 0.05 0.00 0.05 0.00 0.00 55.36 54.93 1udl s GLN 36 Cb -0.01 -2.13 -0.07 0.00 1.10 0.00 0.00 33.01 31.90 1udl s GLN 36 CO 0.03 0.02 0.03 0.14 -0.55 0.00 0.00 175.29 174.96 1udl s VAL 37 N 0.75 1.60 0.07 1.34 -7.23 -0.70 -2.00 120.40 114.23 1udl s VAL 37 Ca -0.10 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.14 1udl s VAL 37 Cb -0.16 -2.87 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 1udl s VAL 37 CO 0.01 0.00 -0.20 -0.51 -0.31 0.00 0.00 175.10 174.09 1udl s ILE 38 N -2.98 1.65 0.00 -0.62 2.07 -0.90 -3.50 121.20 116.93 1udl s ILE 38 Ca 0.34 -1.37 -0.30 0.00 -1.41 0.00 0.00 60.65 57.91 1udl s ILE 38 Cb 0.09 -1.47 -0.05 0.00 0.13 0.00 0.00 42.46 41.16 1udl s ILE 38 CO 0.16 0.05 1.27 0.00 -1.91 0.00 0.00 174.94 174.52 1udl s ALA 39 N -1.00 3.50 -0.02 1.50 0.00 -1.25 -1.11 121.76 123.38 1udl s ALA 39 Ca 0.06 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1udl s ALA 39 Cb -0.09 -3.52 -0.32 0.00 0.00 0.00 0.00 23.12 19.18 1udl s ALA 39 CO 0.03 -0.71 0.78 0.52 0.00 0.00 0.00 175.76 176.37 1udl h MET 40 N 7.36 0.44 -5.09 0.00 0.00 -1.38 0.86 114.93 117.12 1udl h MET 40 Ca -0.38 -0.75 -0.35 0.00 0.00 0.00 0.00 59.70 58.22 1udl h MET 40 Cb 1.18 0.28 -0.19 0.00 0.00 0.00 0.00 31.60 32.87 1udl h MET 40 CO 0.87 1.35 -0.75 0.71 0.00 0.00 0.00 176.91 179.09 1udl s TYR 41 N -2.59 1.12 -0.53 -0.22 2.02 -1.26 -4.77 117.35 111.11 1udl s TYR 41 Ca -0.14 -0.58 -0.26 0.00 -0.37 0.00 0.00 57.07 55.73 1udl s TYR 41 Cb 0.05 -0.61 -0.07 0.00 -0.40 0.00 0.00 41.96 40.92 1udl s TYR 41 CO 0.88 0.03 2.38 -0.51 -1.57 0.00 0.00 175.55 176.76 1udl s ASP 42 N -2.19 4.42 -0.07 2.29 1.11 -1.26 -3.97 116.67 117.00 1udl s ASP 42 Ca 0.03 0.91 -0.22 0.00 0.18 0.00 0.00 52.55 53.45 1udl s ASP 42 Cb -0.06 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1udl s ASP 42 CO 0.01 -2.97 0.64 -0.47 1.18 0.00 0.00 175.17 173.56 1udl s TYR 43 N 12.33 3.58 -0.33 4.23 6.14 0.66 -4.87 117.35 139.08 1udl s TYR 43 Ca 0.95 1.16 0.03 0.00 0.64 0.00 0.00 57.07 59.85 1udl s TYR 43 Cb -0.16 -2.72 0.10 0.00 0.42 0.00 0.00 41.96 39.59 1udl s TYR 43 CO 0.23 0.14 0.06 0.00 0.64 0.00 0.00 175.55 176.62 1udl s ALA 44 N 0.64 2.61 -0.10 3.97 0.00 -1.26 0.42 121.76 128.04 1udl s ALA 44 Ca 0.34 -2.34 -0.30 0.00 0.00 0.00 0.00 51.96 49.67 1udl s ALA 44 Cb -0.17 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1udl s ALA 44 CO 0.16 -1.67 2.08 0.00 0.00 0.00 0.00 175.76 176.34 1udl n ALA 45 N 4.38 1.58 0.25 0.00 0.00 -1.23 -4.82 120.51 120.68 1udl n ALA 45 Ca 0.02 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1udl n ALA 45 Cb 0.42 -2.76 0.75 0.00 0.00 0.00 0.00 19.45 17.86 1udl n ALA 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1udl h ASN 46 N 12.47 0.00 -3.71 0.00 2.35 -1.93 -3.45 115.58 121.31 1udl h ASN 46 Ca -0.45 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.09 1udl h ASN 46 Cb 1.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.57 1udl h ASN 46 CO 0.95 0.00 -0.02 -0.46 -1.65 0.00 0.00 177.43 176.26 1udl n ASN 47 N -2.54 -1.67 0.15 5.81 0.23 -1.26 -5.04 115.26 110.94 1udl n ASN 47 Ca -0.01 -2.82 0.03 0.00 -0.53 0.00 0.00 54.58 51.25 1udl n ASN 47 Cb 0.10 2.97 0.40 0.00 -2.08 0.00 0.00 39.78 41.16 1udl n ASN 47 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1udl h GLU 48 N 0.00 0.16 -0.90 -3.83 5.08 -1.99 -2.73 114.58 110.37 1udl h GLU 48 Ca -0.29 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1udl h GLU 48 Cb 1.22 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 1udl h GLU 48 CO 0.39 0.35 0.52 -0.44 -1.00 0.00 0.00 179.01 178.83 1udl h ASP 49 N 0.15 0.70 -2.51 1.42 3.32 -1.96 -3.43 116.42 114.13 1udl h ASP 49 Ca 0.03 0.07 -0.45 0.00 0.02 0.00 0.00 57.03 56.70 1udl h ASP 49 Cb 0.42 -0.06 0.07 0.00 0.22 0.00 0.00 39.33 39.97 1udl h ASP 49 CO 0.03 0.34 0.06 -1.61 -1.72 0.00 0.00 179.24 176.34 1udl s GLU 50 N -5.97 2.10 -0.16 3.56 2.02 -1.03 -1.86 118.70 117.36 1udl s GLU 50 Ca -0.12 -0.87 -0.02 0.00 0.02 0.00 0.00 54.97 53.99 1udl s GLU 50 Cb 0.22 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 1udl s GLU 50 CO 0.79 -1.11 -0.10 -1.17 0.02 0.00 0.00 175.26 173.69 1udl s LEU 51 N -4.99 2.82 -0.38 1.80 0.20 -1.15 -4.39 118.68 112.59 1udl s LEU 51 Ca 0.62 -0.33 -0.18 0.00 0.69 0.00 0.00 54.13 54.93 1udl s LEU 51 Cb -0.08 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 44.02 1udl s LEU 51 CO 0.42 0.11 0.51 -0.44 -0.29 0.00 0.00 176.35 176.66 1udl s SER 52 N 0.69 6.29 0.18 3.68 0.01 -1.26 -3.54 113.70 119.74 1udl s SER 52 Ca -0.05 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 1udl s SER 52 Cb -0.15 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1udl s SER 52 CO 0.02 -0.54 0.20 0.72 0.41 0.00 0.00 173.24 174.05 1udl s PHE 53 N 2.40 0.74 0.16 2.43 -0.71 0.17 -4.89 117.98 118.28 1udl s PHE 53 Ca 0.18 -1.07 0.08 0.00 -1.04 0.00 0.00 56.93 55.08 1udl s PHE 53 Cb -0.16 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1udl s PHE 53 CO 0.14 -0.68 -0.07 -1.12 -1.34 0.00 0.00 175.22 172.16 1udl s SER 54 N -3.05 4.44 -0.25 1.98 0.01 -1.26 -0.25 113.70 115.32 1udl s SER 54 Ca 0.26 -0.48 -0.42 0.00 1.31 0.00 0.00 55.95 56.62 1udl s SER 54 Cb 0.05 -0.83 -0.18 0.00 0.21 0.00 0.00 66.02 65.27 1udl s SER 54 CO 0.05 0.11 1.54 1.17 0.41 0.00 0.00 173.24 176.52 1udl n LYS 55 N 0.12 0.62 -1.33 12.44 4.81 -1.25 -1.42 118.16 132.16 1udl n LYS 55 Ca -0.11 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1udl n LYS 55 Cb 0.55 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.78 1udl n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1udl n GLY 56 N 3.47 0.97 3.93 3.14 0.00 0.30 -4.94 105.19 112.06 1udl n GLY 56 Ca 0.26 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1udl n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 57 N -2.94 2.96 -0.54 1.61 2.00 -0.50 -4.84 119.66 117.40 1udl s GLN 57 Ca 0.00 -0.17 -0.23 0.00 -2.00 0.00 0.00 55.36 52.97 1udl s GLN 57 Cb 0.00 -2.36 0.05 0.00 0.80 0.00 0.00 33.01 31.49 1udl s GLN 57 CO 0.00 -0.57 0.84 -1.17 -0.50 0.00 0.00 175.29 173.89 1udl s LEU 58 N -4.86 4.38 -0.04 3.68 2.96 -1.26 -3.85 118.68 119.69 1udl s LEU 58 Ca 0.52 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1udl s LEU 58 Cb -0.10 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1udl s LEU 58 CO 0.43 -1.12 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.59 1udl s ILE 59 N 3.52 1.07 -0.31 6.68 1.01 -1.23 -3.82 121.20 128.12 1udl s ILE 59 Ca 0.25 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1udl s ILE 59 Cb -0.15 -0.94 0.09 0.00 0.01 0.00 0.00 42.46 41.47 1udl s ILE 59 CO 0.17 0.32 0.02 0.20 0.00 0.00 0.00 174.94 175.65 1udl s ASN 60 N 0.24 4.49 0.02 3.58 -0.87 -1.20 -1.72 114.94 119.48 1udl s ASN 60 Ca -0.06 -1.85 -0.33 0.00 -1.57 0.00 0.00 52.86 49.06 1udl s ASN 60 Cb -0.11 -1.44 -0.12 0.00 -0.02 0.00 0.00 41.25 39.56 1udl s ASN 60 CO 0.02 -0.34 1.83 0.52 -2.57 0.00 0.00 177.10 176.56 1udl n VAL 61 N 4.42 0.46 -0.08 1.60 0.31 0.06 -3.50 118.33 121.60 1udl n VAL 61 Ca -0.02 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 1udl n VAL 61 Cb 0.42 -1.93 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 1udl n VAL 61 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1udl n MET 62 N 5.96 0.81 -3.66 5.55 0.00 0.26 0.21 117.12 126.25 1udl n MET 62 Ca 0.20 0.07 -0.30 0.00 0.00 0.00 0.00 57.70 57.67 1udl n MET 62 Cb 0.33 -1.32 -0.15 0.00 0.00 0.00 0.00 33.22 32.07 1udl n MET 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1udl s ASN 63 N -5.31 3.85 -0.49 7.83 3.84 -1.24 -4.09 114.94 119.33 1udl s ASN 63 Ca -0.18 -1.52 0.02 0.00 0.21 0.00 0.00 52.86 51.39 1udl s ASN 63 Cb 0.05 -0.68 0.45 0.00 -0.55 0.00 0.00 41.25 40.53 1udl s ASN 63 CO 0.41 -0.42 1.63 2.29 -2.79 0.00 0.00 177.10 178.22 1udl n LYS 64 N 4.98 3.14 -0.17 0.43 2.85 -1.26 -2.97 118.16 125.15 1udl n LYS 64 Ca -0.03 -3.72 -0.01 0.00 -1.05 0.00 0.00 58.31 53.50 1udl n LYS 64 Cb 0.42 -2.28 0.08 0.00 -0.65 0.00 0.00 35.03 32.59 1udl n LYS 64 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1udl h ASP 65 N 2.10 -0.12 -3.47 -5.58 3.58 -1.94 -3.38 116.42 107.60 1udl h ASP 65 Ca 0.49 0.11 -0.60 0.00 0.42 0.00 0.00 57.03 57.46 1udl h ASP 65 Cb 1.15 0.18 -0.12 0.00 1.72 0.00 0.00 39.33 42.26 1udl h ASP 65 CO 1.20 -0.04 -0.25 -1.81 -2.88 0.00 0.00 179.24 175.45 1udl s ASP 66 N -5.27 6.40 0.00 2.28 1.11 -1.26 -4.95 116.67 114.98 1udl s ASP 66 Ca -0.13 0.47 0.12 0.00 0.18 0.00 0.00 52.55 53.19 1udl s ASP 66 Cb 0.17 -2.21 0.74 0.00 1.07 0.00 0.00 42.92 42.69 1udl s ASP 66 CO 0.73 -0.04 1.17 -0.81 1.18 0.00 0.00 175.17 177.41 1udl n PRO 67 N 4.33 0.49 -0.12 8.23 -0.04 -1.26 -2.90 135.00 143.72 1udl n PRO 67 Ca -0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 1udl n PRO 67 Cb 0.51 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 1udl n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1udl n ASP 68 N -0.90 1.96 -4.18 3.54 9.92 -1.26 -4.72 116.55 120.90 1udl n ASP 68 Ca 0.09 0.24 -0.23 0.00 -0.53 0.00 0.00 54.79 54.36 1udl n ASP 68 Cb 0.04 -0.76 -0.14 0.00 -0.64 0.00 0.00 41.12 39.62 1udl n ASP 68 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1udl s TRP 69 N -2.49 1.52 0.18 1.24 0.52 -1.14 -0.75 118.94 118.01 1udl s TRP 69 Ca -0.35 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 55.51 1udl s TRP 69 Cb 0.11 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.47 1udl s TRP 69 CO 0.55 0.04 -0.16 -1.58 0.02 0.00 0.00 176.95 175.82 1udl s TRP 70 N -0.68 1.71 -0.18 -1.98 0.51 0.84 -4.24 118.94 114.93 1udl s TRP 70 Ca 0.05 -0.53 -0.02 0.00 -2.12 0.00 0.00 56.10 53.48 1udl s TRP 70 Cb -0.08 -0.83 -0.01 0.00 -0.81 0.00 0.00 33.47 31.75 1udl s TRP 70 CO 0.01 0.32 -0.10 -1.14 -0.51 0.00 0.00 176.95 175.53 1udl s GLN 71 N -3.21 3.32 0.43 4.98 0.74 -1.16 -2.60 119.66 122.17 1udl s GLN 71 Ca 0.18 -0.68 0.04 0.00 0.05 0.00 0.00 55.36 54.95 1udl s GLN 71 Cb -0.03 -2.78 -0.02 0.00 1.10 0.00 0.00 33.01 31.28 1udl s GLN 71 CO 0.06 -0.03 0.15 0.41 -0.55 0.00 0.00 175.29 175.34 1udl n GLY 72 N 4.23 3.21 3.11 2.59 0.00 -1.26 -0.57 105.19 116.50 1udl n GLY 72 Ca -0.19 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.49 1udl n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1udl s GLU 73 N -3.63 1.08 -0.32 1.61 4.04 -1.23 -3.45 118.70 116.80 1udl s GLU 73 Ca 0.21 -0.54 -0.01 0.00 0.04 0.00 0.00 54.97 54.66 1udl s GLU 73 Cb 0.01 -1.05 0.11 0.00 0.02 0.00 0.00 34.13 33.22 1udl s GLU 73 CO 0.15 0.28 0.14 0.42 -1.84 0.00 0.00 175.26 174.41 1udl s ILE 74 N -0.43 0.57 -0.90 1.83 1.01 0.15 -3.24 121.20 120.20 1udl s ILE 74 Ca 0.05 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.31 1udl s ILE 74 Cb -0.06 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1udl s ILE 74 CO -0.00 -0.75 0.75 0.59 0.00 0.00 0.00 174.94 175.53 1udl n ASN 75 N 4.74 -2.65 0.00 3.58 3.02 -1.26 -2.38 115.26 120.31 1udl n ASN 75 Ca -0.00 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1udl n ASN 75 Cb 0.41 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 1udl n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1udl n GLY 76 N -1.19 0.55 3.64 7.41 0.00 -1.26 -5.00 105.19 109.33 1udl n GLY 76 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1udl n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1udl s VAL 77 N -2.42 4.58 0.02 1.61 0.11 -1.00 -5.11 120.40 118.20 1udl s VAL 77 Ca 0.00 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1udl s VAL 77 Cb 0.00 -3.02 -0.03 0.00 -1.53 0.00 0.00 36.38 31.80 1udl s VAL 77 CO 0.00 0.51 -0.16 0.42 -3.33 0.00 0.00 175.10 172.54 1udl s THR 78 N 0.02 2.94 0.00 5.04 -4.23 -1.26 0.31 115.64 118.45 1udl s THR 78 Ca 0.04 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1udl s THR 78 Cb -0.12 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1udl s THR 78 CO 0.01 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1udl n GLY 79 N 1.66 2.04 3.26 3.99 0.00 -1.22 -4.86 105.19 110.05 1udl n GLY 79 Ca -0.16 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1udl n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1udl s LEU 80 N 0.00 2.21 0.03 0.99 1.43 -0.78 -4.05 118.68 118.51 1udl s LEU 80 Ca 0.00 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 1udl s LEU 80 Cb 0.00 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1udl s LEU 80 CO 0.00 0.17 0.28 0.72 0.23 0.00 0.00 176.35 177.76 1udl s PHE 81 N 0.26 -0.09 0.49 0.29 -0.12 -1.07 -2.96 117.98 114.79 1udl s PHE 81 Ca -0.15 -0.03 -0.22 0.00 -0.05 0.00 0.00 56.93 56.48 1udl s PHE 81 Cb -0.17 0.07 -0.07 0.00 -0.63 0.00 0.00 43.02 42.22 1udl s PHE 81 CO 0.08 -0.47 1.15 -1.25 -0.05 0.00 0.00 175.22 174.68 1udl s PRO 82 N -2.35 3.61 0.00 1.99 0.04 -1.26 -0.11 135.00 136.92 1udl s PRO 82 Ca -0.06 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1udl s PRO 82 Cb -0.02 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1udl s PRO 82 CO -0.02 -0.66 0.94 -1.13 0.04 0.00 0.00 177.00 176.17 1udl n SER 83 N -0.79 0.05 -0.00 6.66 3.41 0.07 -2.73 113.62 120.28 1udl n SER 83 Ca 0.09 -1.92 0.07 0.00 -0.26 0.00 0.00 58.87 56.85 1udl n SER 83 Cb 0.49 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 1udl n SER 83 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1udl n ASN 84 N -0.47 0.96 -0.96 4.04 0.23 -1.26 -4.33 115.26 113.47 1udl n ASN 84 Ca 0.00 -0.58 0.10 0.00 -0.53 0.00 0.00 54.58 53.56 1udl n ASN 84 Cb 0.01 1.20 0.26 0.00 -2.08 0.00 0.00 39.78 39.17 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1udl n TYR 85 N -1.54 0.59 -4.15 -2.53 4.02 -1.11 -4.91 117.16 107.54 1udl n TYR 85 Ca 0.01 -0.30 -0.13 0.00 -0.01 0.00 0.00 57.90 57.47 1udl n TYR 85 Cb 0.27 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.48 1udl n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1udl s VAL 86 N -1.41 0.80 -0.10 -0.72 -7.23 -1.26 -0.93 120.40 109.56 1udl s VAL 86 Ca 0.36 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1udl s VAL 86 Cb 0.20 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.86 1udl s VAL 86 CO 0.27 -0.60 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.80 1udl s LYS 87 N -2.81 1.79 -0.41 4.82 1.02 -0.26 -4.90 119.74 118.99 1udl s LYS 87 Ca 0.04 -0.40 -0.39 0.00 0.02 0.00 0.00 55.97 55.25 1udl s LYS 87 Cb -0.02 -1.62 -0.14 0.00 -0.52 0.00 0.00 37.83 35.53 1udl s LYS 87 CO -0.01 -0.12 2.17 -1.33 -0.92 0.00 0.00 175.35 175.15 1udl n MET 88 N 4.36 0.66 -0.30 1.68 2.81 -1.26 -2.11 117.12 122.96 1udl n MET 88 Ca -0.18 0.18 -0.05 0.00 -1.81 0.00 0.00 57.70 55.83 1udl n MET 88 Cb 0.51 -2.09 0.07 0.00 -0.71 0.00 0.00 33.22 31.00 1udl n MET 88 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1udl h THR 89 N 7.06 1.26 -5.33 2.03 1.35 -1.71 -3.47 112.91 114.10 1udl h THR 89 Ca -0.20 -0.76 -0.40 0.00 -0.55 0.00 0.00 66.41 64.50 1udl h THR 89 Cb 1.36 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 67.99 1udl h THR 89 CO 1.05 0.32 -0.60 0.35 -0.25 0.00 0.00 175.52 176.38 1udl n THR 90 N -4.31 -1.44 -4.26 6.82 -2.24 -1.26 -4.95 114.28 102.64 1udl n THR 90 Ca 0.08 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.51 1udl n THR 90 Cb 0.16 -2.45 -0.10 0.00 -2.10 0.00 0.00 70.33 65.84 1udl n THR 90 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1udl s ASP 91 N -2.81 5.36 0.63 3.42 1.01 -1.26 -5.10 116.67 117.91 1udl s ASP 91 Ca 0.42 0.12 -0.12 0.00 0.71 0.00 0.00 52.55 53.68 1udl s ASP 91 Cb -0.21 -1.68 -0.03 0.00 1.01 0.00 0.00 42.92 42.02 1udl s ASP 91 CO 0.52 0.31 1.04 -0.44 0.21 0.00 0.00 175.17 176.81 1udl s SER 92 N -0.45 5.86 0.28 0.27 0.01 -1.26 -5.01 113.70 113.40 1udl s SER 92 Ca 0.09 1.59 0.11 0.00 1.31 0.00 0.00 55.95 59.05 1udl s SER 92 Cb -0.12 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1udl s SER 92 CO 0.02 -1.12 -0.16 -0.44 0.41 0.00 0.00 173.24 171.96 1udl s SER 93 N -3.63 3.76 0.00 2.44 0.01 -1.26 -5.12 113.70 109.90 1udl s SER 93 Ca 0.58 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1udl s SER 93 Cb -0.13 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1udl s SER 93 CO 0.48 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1udl n GLY 94 N -0.68 -0.35 3.67 3.44 0.00 -1.26 -4.79 105.19 105.23 1udl n GLY 94 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1udl n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 95 N 0.00 4.24 -0.08 1.61 0.04 -1.26 -5.02 135.00 134.53 1udl s PRO 95 Ca 0.00 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1udl s PRO 95 Cb 0.00 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1udl s PRO 95 CO 0.00 -0.69 -0.20 -1.12 0.04 0.00 0.00 177.00 175.03 1udl s SER 96 N 2.40 2.60 -0.62 6.66 0.01 -1.26 -5.09 113.70 118.39 1udl s SER 96 Ca 0.66 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 57.44 1udl s SER 96 Cb -0.31 -1.07 0.16 0.00 0.21 0.00 0.00 66.02 65.01 1udl s SER 96 CO 0.26 0.13 0.44 -0.44 0.41 0.00 0.00 173.24 174.04 1udl s SER 97 N 0.32 5.27 0.00 2.44 0.01 -1.26 -5.25 113.70 115.23 1udl s SER 97 Ca -0.14 -2.83 0.00 0.00 1.31 0.00 0.00 55.95 54.30 1udl s SER 97 Cb -0.16 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1udl s SER 97 CO 0.06 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.94