#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yup s SER 2 N 0.00 5.66 0.33 1.61 0.15 -1.26 -5.12 113.70 115.07 2yup s SER 2 Ca 0.00 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.39 2yup s SER 2 Cb 0.00 -1.52 0.03 0.00 -1.71 0.00 0.00 66.02 62.82 2yup s SER 2 CO 0.00 0.05 0.72 -0.94 1.20 0.00 0.00 173.24 174.27 2yup s SER 3 N -3.22 -0.07 0.27 5.45 1.04 -1.26 -5.19 113.70 110.72 2yup s SER 3 Ca 0.32 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.88 2yup s SER 3 Cb -0.10 0.77 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 2yup s SER 3 CO 0.24 -1.48 0.17 0.61 0.98 0.00 0.00 173.24 173.76 2yup n GLY 4 N -0.49 3.31 3.19 7.32 0.00 -1.26 -5.18 105.19 112.08 2yup n GLY 4 Ca -0.05 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2yup n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yup s SER 5 N -2.78 -0.08 0.12 1.61 0.15 -1.26 -5.18 113.70 106.28 2yup s SER 5 Ca 0.24 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.82 2yup s SER 5 Cb 0.01 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 2yup s SER 5 CO 0.17 -0.45 -0.10 -0.44 1.20 0.00 0.00 173.24 173.62 2yup s SER 6 N -1.52 1.59 0.00 5.45 0.01 -1.26 -5.12 113.70 112.86 2yup s SER 6 Ca -0.12 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2yup s SER 6 Cb -0.05 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2yup s SER 6 CO 0.02 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2yup n GLY 7 N 0.12 3.47 3.21 3.44 0.00 -1.26 -5.16 105.19 109.00 2yup n GLY 7 Ca -0.13 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 2yup n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yup s LYS 8 N -3.95 0.96 0.97 1.61 -2.85 -1.26 -5.15 119.74 110.08 2yup s LYS 8 Ca 0.00 -0.98 -0.12 0.00 -1.00 0.00 0.00 55.97 53.87 2yup s LYS 8 Cb 0.00 -1.06 0.17 0.00 -2.06 0.00 0.00 37.83 34.89 2yup s LYS 8 CO 0.00 0.25 1.09 -1.25 0.10 0.00 0.00 175.35 175.54 2yup s PRO 9 N -1.65 0.62 0.00 1.78 0.04 -1.26 -4.90 135.00 129.63 2yup s PRO 9 Ca 0.02 0.59 0.12 0.00 0.04 0.00 0.00 61.00 61.76 2yup s PRO 9 Cb -0.10 -1.75 0.70 0.00 0.04 0.00 0.00 34.50 33.39 2yup s PRO 9 CO 0.03 -2.62 1.13 -0.35 0.04 0.00 0.00 177.00 175.22 2yup n PRO 10 N -4.11 0.48 -0.23 0.56 -0.04 -1.26 -4.04 135.00 126.37 2yup n PRO 10 Ca 0.06 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.73 2yup n PRO 10 Cb 0.57 -1.38 0.39 0.00 -0.04 0.00 0.00 33.50 33.04 2yup n PRO 10 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2yup n THR 11 N -0.88 -0.30 -3.69 0.52 -2.24 -1.26 -1.43 114.28 105.00 2yup n THR 11 Ca 0.09 1.44 -0.27 0.00 -2.27 0.00 0.00 64.05 63.03 2yup n THR 11 Cb 0.04 -2.31 -0.11 0.00 -2.10 0.00 0.00 70.33 65.85 2yup n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yup n TYR 12 N -4.63 2.67 -1.08 4.78 4.19 -1.26 -5.00 117.16 116.84 2yup n TYR 12 Ca 0.26 -4.12 -0.36 0.00 3.31 0.00 0.00 57.90 56.99 2yup n TYR 12 Cb 0.87 -0.49 -0.04 0.00 0.49 0.00 0.00 39.34 40.17 2yup n TYR 12 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 2yup n GLN 13 N 1.76 1.94 -3.68 2.98 6.02 -0.52 -4.49 117.38 121.40 2yup n GLN 13 Ca 0.24 -1.81 -0.28 0.00 -0.01 0.00 0.00 57.00 55.14 2yup n GLN 13 Cb 0.39 -2.80 -0.06 0.00 1.02 0.00 0.00 30.24 28.79 2yup n GLN 13 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2yup n VAL 14 N 5.19 -0.20 -1.47 5.09 3.14 -1.26 -4.66 118.33 124.17 2yup n VAL 14 Ca 0.49 -0.10 -0.56 0.00 -2.96 0.00 0.00 64.34 61.21 2yup n VAL 14 Cb 0.30 -0.45 -0.07 0.00 -1.06 0.00 0.00 33.84 32.56 2yup n VAL 14 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2yup n LEU 15 N -3.15 -0.22 -2.23 6.55 7.99 -1.26 -4.83 117.00 119.84 2yup n LEU 15 Ca -0.00 1.14 -0.29 0.00 -0.01 0.00 0.00 56.01 56.85 2yup n LEU 15 Cb 0.37 -0.92 0.12 0.00 -0.11 0.00 0.00 43.42 42.88 2yup n LEU 15 CO 0.66 -2.08 1.31 -1.84 -1.51 0.00 0.00 177.39 173.94 2yup n GLU 16 N 1.40 2.50 -4.19 3.23 0.00 -1.26 -4.96 120.64 117.36 2yup n GLU 16 Ca 0.19 -3.20 -0.26 0.00 0.00 0.00 0.00 57.16 53.89 2yup n GLU 16 Cb 0.11 -2.22 -0.06 0.00 0.00 0.00 0.00 31.44 29.27 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2yup s TYR 17 N -3.58 2.26 0.32 -1.84 1.51 -1.26 -4.82 117.35 109.95 2yup s TYR 17 Ca 0.60 -0.71 -0.25 0.00 -1.01 0.00 0.00 57.07 55.70 2yup s TYR 17 Cb 0.49 -1.89 -0.10 0.00 -0.11 0.00 0.00 41.96 40.35 2yup s TYR 17 CO 0.04 0.05 0.93 0.20 -1.11 0.00 0.00 175.55 175.66 2yup s GLY 18 N -3.98 2.76 -0.04 0.71 0.00 -1.16 -4.86 107.32 100.74 2yup s GLY 18 Ca 0.33 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.55 2yup s GLY 18 CO 0.19 0.91 -0.06 1.85 0.00 0.00 0.00 173.10 175.98 2yup s GLU 19 N -2.13 2.69 0.06 2.90 2.56 -0.81 -2.08 118.70 121.88 2yup s GLU 19 Ca 0.50 -0.60 -0.15 0.00 0.00 0.00 0.00 54.97 54.73 2yup s GLU 19 Cb -0.18 -2.57 0.02 0.00 2.00 0.00 0.00 34.13 33.41 2yup s GLU 19 CO 0.23 0.64 0.33 0.00 -0.56 0.00 0.00 175.26 175.90 2yup s ALA 20 N -0.88 -0.76 -0.04 6.30 0.00 -1.25 -1.90 121.76 123.24 2yup s ALA 20 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2yup s ALA 20 Cb -0.11 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.42 2yup s ALA 20 CO 0.04 -0.46 -0.05 0.08 0.00 0.00 0.00 175.76 175.36 2yup s VAL 21 N -2.81 0.58 -0.09 0.00 1.01 -0.43 -3.58 120.40 115.08 2yup s VAL 21 Ca -0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 2yup s VAL 21 Cb -0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2yup s VAL 21 CO -0.05 0.22 1.46 0.00 0.00 0.00 0.00 175.10 176.74 2yup s ALA 22 N 0.71 3.63 -0.18 5.51 0.00 -1.14 -0.05 121.76 130.24 2yup s ALA 22 Ca -0.10 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 2yup s ALA 22 Cb -0.13 -3.68 -0.22 0.00 0.00 0.00 0.00 23.12 19.10 2yup s ALA 22 CO 0.00 -1.25 0.16 1.04 0.00 0.00 0.00 175.76 175.72 2yup n GLN 23 N 6.70 0.68 -4.95 0.00 1.13 -1.16 -0.66 117.38 119.12 2yup n GLN 23 Ca 0.15 0.33 -0.27 0.00 -1.94 0.00 0.00 57.00 55.27 2yup n GLN 23 Cb 0.44 -1.67 -0.15 0.00 0.11 0.00 0.00 30.24 28.97 2yup n GLN 23 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2yup s TYR 24 N -2.50 1.85 -0.00 1.08 1.51 -1.17 -4.80 117.35 113.32 2yup s TYR 24 Ca -0.28 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.13 2yup s TYR 24 Cb 0.08 -1.18 -0.07 0.00 -0.11 0.00 0.00 41.96 40.68 2yup s TYR 24 CO 0.67 -0.01 1.72 0.99 -1.11 0.00 0.00 175.55 177.81 2yup s THR 25 N -0.54 3.32 0.16 -0.71 2.01 -1.26 -4.57 115.64 114.05 2yup s THR 25 Ca 0.08 0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.62 2yup s THR 25 Cb -0.08 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2yup s THR 25 CO -0.00 -0.03 0.15 0.12 -0.69 0.00 0.00 174.62 174.16 2yup s PHE 26 N 3.79 3.18 -0.05 4.92 2.19 -1.12 -5.00 117.98 125.90 2yup s PHE 26 Ca 0.77 0.00 -0.02 0.00 0.33 0.00 0.00 56.93 58.02 2yup s PHE 26 Cb -0.37 -1.54 0.03 0.00 -1.31 0.00 0.00 43.02 39.83 2yup s PHE 26 CO 0.33 0.52 0.04 0.21 1.83 0.00 0.00 175.22 178.15 2yup s LYS 27 N -3.06 0.09 -0.02 10.12 2.20 -1.26 -3.90 119.74 123.91 2yup s LYS 27 Ca 0.31 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 2yup s LYS 27 Cb -0.10 -0.59 0.00 0.00 -1.51 0.00 0.00 37.83 35.63 2yup s LYS 27 CO 0.24 -0.30 -0.08 0.20 -0.36 0.00 0.00 175.35 175.04 2yup s GLY 28 N 2.01 0.49 -0.08 5.54 0.00 -1.26 -5.02 107.32 108.98 2yup s GLY 28 Ca 0.03 -0.29 0.17 0.00 0.00 0.00 0.00 44.72 44.63 2yup s GLY 28 CO -0.03 -0.06 0.44 1.34 0.00 0.00 0.00 173.10 174.79 2yup n ASP 29 N 3.30 0.43 -4.85 1.64 2.03 -1.26 -4.79 116.55 113.05 2yup n ASP 29 Ca -0.18 0.20 -0.31 0.00 0.52 0.00 0.00 54.79 55.02 2yup n ASP 29 Cb 0.54 0.61 0.01 0.00 -0.72 0.00 0.00 41.12 41.57 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2yup s LEU 30 N -5.63 3.31 0.02 -2.67 1.43 -1.26 -5.00 118.68 108.89 2yup s LEU 30 Ca -0.07 1.53 -0.14 0.00 -1.03 0.00 0.00 54.13 54.42 2yup s LEU 30 Cb 0.08 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 2yup s LEU 30 CO 0.83 -0.97 1.22 -0.08 0.23 0.00 0.00 176.35 177.58 2yup h GLU 31 N -0.09 -0.50 -1.36 1.70 4.57 -1.97 -2.72 114.58 114.21 2yup h GLU 31 Ca -0.45 0.03 0.41 0.00 -1.18 0.00 0.00 59.36 58.17 2yup h GLU 31 Cb 1.20 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.81 2yup h GLU 31 CO 0.60 -0.33 0.93 -0.39 -1.18 0.00 0.00 179.01 178.65 2yup h VAL 32 N -0.52 0.25 -2.66 0.32 -1.51 -1.93 -3.33 116.25 106.88 2yup h VAL 32 Ca -0.05 -0.03 -0.56 0.00 -1.23 0.00 0.00 66.70 64.82 2yup h VAL 32 Cb 0.40 0.14 -0.09 0.00 -2.13 0.00 0.00 31.29 29.61 2yup h VAL 32 CO 0.08 0.02 0.92 -1.61 -1.23 0.00 0.00 177.57 175.75 2yup s GLU 33 N -5.15 3.26 0.40 5.19 0.41 -1.03 0.12 118.70 121.90 2yup s GLU 33 Ca -0.07 -0.23 -0.09 0.00 -0.41 0.00 0.00 54.97 54.18 2yup s GLU 33 Cb 0.26 -4.14 -0.06 0.00 -1.78 0.00 0.00 34.13 28.42 2yup s GLU 33 CO 0.83 -1.94 0.74 -1.17 -0.49 0.00 0.00 175.26 173.23 2yup s LEU 34 N 5.16 3.83 0.08 1.80 2.96 -0.86 -4.49 118.68 127.15 2yup s LEU 34 Ca 0.34 1.04 0.08 0.00 -0.22 0.00 0.00 54.13 55.38 2yup s LEU 34 Cb -0.10 -3.93 -0.04 0.00 0.50 0.00 0.00 46.19 42.63 2yup s LEU 34 CO 0.17 -0.40 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.17 2yup s SER 35 N -3.31 3.80 -0.19 3.68 0.01 -1.26 -4.50 113.70 111.93 2yup s SER 35 Ca 0.50 -0.51 -0.22 0.00 1.31 0.00 0.00 55.95 57.03 2yup s SER 35 Cb -0.10 -0.55 0.06 0.00 0.21 0.00 0.00 66.02 65.63 2yup s SER 35 CO 0.33 0.22 0.59 0.72 0.41 0.00 0.00 173.24 175.51 2yup s PHE 36 N -1.03 -0.62 -0.01 2.43 -0.12 -1.25 -5.00 117.98 112.38 2yup s PHE 36 Ca 0.16 1.45 -0.18 0.00 -0.05 0.00 0.00 56.93 58.31 2yup s PHE 36 Cb -0.10 0.24 -0.06 0.00 -0.63 0.00 0.00 43.02 42.47 2yup s PHE 36 CO 0.07 -0.36 0.50 1.03 -0.05 0.00 0.00 175.22 176.42 2yup s ARG 37 N 0.01 4.16 0.04 1.99 0.52 -1.26 -2.78 118.95 121.63 2yup s ARG 37 Ca -0.02 0.56 -0.38 0.00 -0.52 0.00 0.00 55.73 55.37 2yup s ARG 37 Cb -0.04 -3.30 -0.19 0.00 0.52 0.00 0.00 34.95 31.95 2yup s ARG 37 CO 0.02 0.49 1.17 1.17 0.02 0.00 0.00 175.30 178.17 2yup n LYS 38 N 2.39 0.46 0.00 3.54 4.81 -1.26 -0.85 118.16 127.24 2yup n LYS 38 Ca -0.10 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2yup n LYS 38 Cb 0.51 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.85 2yup n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yup n GLY 39 N 1.90 2.57 3.64 3.14 0.00 0.17 -4.97 105.19 111.65 2yup n GLY 39 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2yup n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yup n GLU 40 N -0.13 0.49 -3.57 1.61 -0.58 -0.03 -4.68 120.64 113.75 2yup n GLU 40 Ca 0.00 0.23 -0.41 0.00 -0.42 0.00 0.00 57.16 56.56 2yup n GLU 40 Cb 0.00 -2.29 -0.09 0.00 -0.57 0.00 0.00 31.44 28.49 2yup n GLU 40 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2yup s HIS 41 N -1.84 3.40 -0.28 -0.32 3.76 -1.26 -2.87 115.29 115.88 2yup s HIS 41 Ca 0.74 -1.76 -0.18 0.00 -0.15 0.00 0.00 55.06 53.71 2yup s HIS 41 Cb -0.34 -3.30 -0.02 0.00 1.11 0.00 0.00 32.58 30.03 2yup s HIS 41 CO 0.50 -0.94 0.54 0.42 -0.85 0.00 0.00 174.74 174.40 2yup s ILE 42 N 1.38 5.04 -0.15 0.60 1.01 -1.23 -4.89 121.20 122.96 2yup s ILE 42 Ca 0.05 0.82 -0.29 0.00 0.00 0.00 0.00 60.65 61.23 2yup s ILE 42 Cb -0.25 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2yup s ILE 42 CO 0.00 0.01 1.32 0.00 0.00 0.00 0.00 174.94 176.28 2yup s LEU 44 N 3.56 3.39 0.00 0.00 1.43 -0.89 -3.44 118.68 122.74 2yup s LEU 44 Ca 0.58 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2yup s LEU 44 Cb -0.24 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2yup s LEU 44 CO 0.17 -1.66 0.35 -0.38 0.23 0.00 0.00 176.35 175.07 2yup n ILE 45 N 6.59 0.00 -3.95 -0.59 5.41 -1.12 -3.01 119.36 122.70 2yup n ILE 45 Ca 0.18 0.82 -0.29 0.00 1.00 0.00 0.00 62.75 64.45 2yup n ILE 45 Cb 0.50 -1.74 -0.16 0.00 -0.71 0.00 0.00 39.64 37.53 2yup n ILE 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2yup s ARG 46 N -1.59 1.79 -0.37 0.38 1.81 -1.23 -4.77 118.95 114.98 2yup s ARG 46 Ca 0.00 -0.64 -0.27 0.00 -1.72 0.00 0.00 55.73 53.10 2yup s ARG 46 Cb 0.00 -2.16 -0.05 0.00 -0.45 0.00 0.00 34.95 32.30 2yup s ARG 46 CO 0.00 -0.39 2.14 0.21 -0.68 0.00 0.00 175.30 176.58 2yup s LYS 47 N 1.52 2.80 0.01 3.54 2.20 -1.26 -3.16 119.74 125.39 2yup s LYS 47 Ca 0.01 1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 57.13 2yup s LYS 47 Cb -0.15 -4.40 -0.02 0.00 -1.51 0.00 0.00 37.83 31.75 2yup s LYS 47 CO -0.08 -2.48 1.05 0.28 -0.36 0.00 0.00 175.35 173.75 2yup h VAL 48 N 7.21 0.00 -4.39 4.02 2.07 -1.87 -3.48 116.25 119.82 2yup h VAL 48 Ca -0.33 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 66.79 2yup h VAL 48 Cb 1.22 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 2yup h VAL 48 CO 1.07 0.00 -0.39 0.59 0.02 0.00 0.00 177.57 178.86 2yup n ASN 49 N -2.49 -0.29 0.15 0.57 3.02 -0.70 -4.96 115.26 110.57 2yup n ASN 49 Ca -0.01 -2.80 0.13 0.00 -0.03 0.00 0.00 54.58 51.86 2yup n ASN 49 Cb 0.04 1.29 0.52 0.00 -0.61 0.00 0.00 39.78 41.02 2yup n ASN 49 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2yup h GLU 50 N 0.00 0.00 0.00 3.52 4.11 -2.03 -2.96 114.58 117.21 2yup h GLU 50 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 2yup h GLU 50 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2yup h GLU 50 CO 0.30 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.47 2yup n ASN 51 N -2.38 0.21 -4.38 3.06 5.03 -1.26 -4.96 115.26 110.58 2yup n ASN 51 Ca 0.02 -0.60 -0.21 0.00 0.87 0.00 0.00 54.58 54.66 2yup n ASN 51 Cb 0.26 0.75 -0.10 0.00 -1.02 0.00 0.00 39.78 39.67 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2yup s TRP 52 N -0.75 1.92 -0.07 3.10 0.52 -1.12 -1.42 118.94 121.12 2yup s TRP 52 Ca 0.00 -0.47 -0.14 0.00 0.02 0.00 0.00 56.10 55.51 2yup s TRP 52 Cb 0.00 -0.89 0.03 0.00 -1.15 0.00 0.00 33.47 31.46 2yup s TRP 52 CO 0.00 0.46 0.34 0.71 0.02 0.00 0.00 176.95 178.48 2yup s TYR 53 N -2.59 -0.29 -0.25 -1.98 2.02 -0.68 -1.72 117.35 111.85 2yup s TYR 53 Ca 0.23 0.62 -0.04 0.00 -0.37 0.00 0.00 57.07 57.51 2yup s TYR 53 Cb -0.03 0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.66 2yup s TYR 53 CO 0.09 -0.29 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.76 2yup s GLU 54 N -0.58 3.05 0.34 -0.62 2.12 -1.19 -0.71 118.70 121.12 2yup s GLU 54 Ca -0.07 -0.85 0.05 0.00 0.36 0.00 0.00 54.97 54.46 2yup s GLU 54 Cb -0.04 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 2yup s GLU 54 CO 0.02 -0.36 0.20 0.20 -0.54 0.00 0.00 175.26 174.79 2yup s GLY 55 N 1.42 2.33 0.20 -1.50 0.00 -1.02 -2.77 107.32 105.97 2yup s GLY 55 Ca 0.02 -1.74 0.06 0.00 0.00 0.00 0.00 44.72 43.07 2yup s GLY 55 CO -0.02 -1.60 -0.10 1.09 0.00 0.00 0.00 173.10 172.47 2yup s ARG 56 N -3.63 1.26 -0.76 2.90 1.70 -1.22 -2.30 118.95 116.90 2yup s ARG 56 Ca 0.34 -1.57 0.03 0.00 -0.47 0.00 0.00 55.73 54.06 2yup s ARG 56 Cb 0.03 -0.88 0.30 0.00 -0.57 0.00 0.00 34.95 33.83 2yup s ARG 56 CO 0.21 0.09 1.12 -0.89 -1.08 0.00 0.00 175.30 174.75 2yup n ILE 57 N -0.34 3.74 -1.10 4.99 2.08 0.54 -3.77 119.36 125.50 2yup n ILE 57 Ca -0.08 -5.59 -0.42 0.00 0.56 0.00 0.00 62.75 57.22 2yup n ILE 57 Cb 0.61 -1.79 -0.05 0.00 -0.75 0.00 0.00 39.64 37.66 2yup n ILE 57 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2yup n THR 58 N 0.45 0.47 0.00 1.39 -1.04 -1.26 -1.40 114.28 112.89 2yup n THR 58 Ca 0.32 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2yup n THR 58 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 2yup n THR 58 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yup n GLY 59 N 1.25 2.46 0.13 3.41 0.00 -1.26 -4.80 105.19 106.38 2yup n GLY 59 Ca 0.15 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2yup n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yup n THR 60 N 0.00 0.96 0.00 2.61 -2.24 -0.49 -5.03 114.28 110.09 2yup n THR 60 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2yup n THR 60 Cb 0.00 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2yup n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yup n GLY 61 N 2.60 0.98 3.67 3.38 0.00 -1.20 -5.07 105.19 109.54 2yup n GLY 61 Ca -0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2yup n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yup s ARG 62 N -0.77 4.29 -0.07 1.61 0.52 -1.26 -4.92 118.95 118.35 2yup s ARG 62 Ca 0.00 1.09 -0.00 0.00 -0.52 0.00 0.00 55.73 56.30 2yup s ARG 62 Cb 0.00 -3.59 0.03 0.00 0.52 0.00 0.00 34.95 31.91 2yup s ARG 62 CO 0.00 -0.39 -0.03 -1.14 0.02 0.00 0.00 175.30 173.76 2yup s GLN 63 N 2.37 0.86 0.06 3.54 0.74 -1.26 -0.34 119.66 125.63 2yup s GLN 63 Ca 0.40 -0.03 -0.27 0.00 0.05 0.00 0.00 55.36 55.51 2yup s GLN 63 Cb -0.16 -1.05 0.09 0.00 1.10 0.00 0.00 33.01 32.99 2yup s GLN 63 CO 0.11 -0.22 1.17 0.20 -0.55 0.00 0.00 175.29 176.01 2yup s GLY 64 N 1.57 -0.14 0.47 2.59 0.00 -0.97 -4.83 107.32 106.01 2yup s GLY 64 Ca -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 2yup s GLY 64 CO -0.04 2.64 0.71 -0.26 0.00 0.00 0.00 173.10 176.16 2yup s ILE 65 N -2.31 4.27 0.05 0.90 -4.36 0.31 -2.44 121.20 117.63 2yup s ILE 65 Ca 0.21 -0.27 -0.26 0.00 -0.26 0.00 0.00 60.65 60.07 2yup s ILE 65 Cb 0.00 -3.60 0.07 0.00 1.25 0.00 0.00 42.46 40.17 2yup s ILE 65 CO 0.01 -0.49 0.61 0.72 0.24 0.00 0.00 174.94 176.03 2yup s PHE 66 N -2.63 -0.56 0.12 1.37 -0.12 0.11 -2.04 117.98 114.23 2yup s PHE 66 Ca 0.48 0.67 -0.31 0.00 -0.05 0.00 0.00 56.93 57.72 2yup s PHE 66 Cb -0.10 0.45 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 2yup s PHE 66 CO 0.40 -0.71 1.36 -1.25 -0.05 0.00 0.00 175.22 174.97 2yup s PRO 67 N -2.45 4.34 0.45 1.99 0.04 -1.26 -1.69 135.00 136.42 2yup s PRO 67 Ca -0.05 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.19 2yup s PRO 67 Cb -0.01 -3.25 1.05 0.00 0.04 0.00 0.00 34.50 32.33 2yup s PRO 67 CO -0.01 -0.40 1.98 0.00 0.04 0.00 0.00 177.00 178.61 2yup h ALA 68 N 6.65 1.57 0.00 8.56 0.00 -1.56 -1.81 119.26 132.67 2yup h ALA 68 Ca -0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2yup h ALA 68 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2yup h ALA 68 CO 0.85 0.25 0.00 0.43 0.00 0.00 0.00 179.25 180.78 2yup n SER 69 N -4.16 0.15 -0.10 0.00 7.64 -1.26 -1.71 113.62 114.18 2yup n SER 69 Ca -0.02 0.56 -0.16 0.00 1.01 0.00 0.00 58.87 60.26 2yup n SER 69 Cb 0.27 -0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 62.75 2yup n SER 69 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2yup n TYR 70 N -1.69 0.26 -3.39 1.43 4.02 -0.68 -4.99 117.16 112.11 2yup n TYR 70 Ca 0.00 0.06 -0.19 0.00 -0.01 0.00 0.00 57.90 57.76 2yup n TYR 70 Cb 0.04 -1.04 -0.02 0.00 -0.02 0.00 0.00 39.34 38.31 2yup n TYR 70 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2yup s VAL 71 N -2.52 2.96 -0.21 -0.72 -7.23 -0.70 -2.98 120.40 109.01 2yup s VAL 71 Ca -0.26 -1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2yup s VAL 71 Cb 0.08 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 2yup s VAL 71 CO 0.69 -0.03 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.86 2yup s GLN 72 N -4.19 3.56 -0.24 4.82 2.00 0.92 -4.82 119.66 121.71 2yup s GLN 72 Ca 0.49 -0.54 -0.19 0.00 -2.00 0.00 0.00 55.36 53.12 2yup s GLN 72 Cb -0.06 -3.07 -0.03 0.00 0.80 0.00 0.00 33.01 30.65 2yup s GLN 72 CO 0.30 -0.04 0.55 0.08 -0.50 0.00 0.00 175.29 175.68 2yup s VAL 73 N 1.12 5.05 -0.23 1.34 1.01 -1.26 -1.31 120.40 126.12 2yup s VAL 73 Ca 0.02 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.02 2yup s VAL 73 Cb -0.14 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 2yup s VAL 73 CO 0.01 0.09 -0.18 -1.20 0.00 0.00 0.00 175.10 173.82 2yup n SER 74 N 5.42 1.94 -3.37 3.32 7.64 -0.80 -4.93 113.62 122.84 2yup n SER 74 Ca -0.03 -0.12 -0.12 0.00 1.01 0.00 0.00 58.87 59.61 2yup n SER 74 Cb 0.50 -0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.38 2yup n SER 74 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2yup s ARG 75 N -2.48 0.34 0.49 1.43 3.52 -1.16 -4.96 118.95 116.14 2yup s ARG 75 Ca -0.30 0.23 -0.24 0.00 -0.13 0.00 0.00 55.73 55.29 2yup s ARG 75 Cb 0.08 -0.57 -0.07 0.00 -1.56 0.00 0.00 34.95 32.84 2yup s ARG 75 CO 0.58 -0.84 1.41 -1.21 -0.81 0.00 0.00 175.30 174.43 2yup s GLU 76 N 2.48 3.46 0.00 5.12 2.02 -1.26 -1.93 118.70 128.58 2yup s GLU 76 Ca 0.10 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.46 2yup s GLU 76 Cb -0.14 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2yup s GLU 76 CO -0.23 -0.98 0.00 -0.35 0.02 0.00 0.00 175.26 173.72 2yup n PRO 77 N -0.53 0.20 -4.14 0.39 -0.04 -1.26 -4.67 135.00 124.95 2yup n PRO 77 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 2yup n PRO 77 Cb 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 2yup n PRO 77 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2yup s ARG 78 N -1.18 0.74 0.00 0.54 3.00 -1.26 -4.95 118.95 115.84 2yup s ARG 78 Ca 0.00 -0.91 0.00 0.00 -1.00 0.00 0.00 55.73 53.82 2yup s ARG 78 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 34.95 34.27 2yup s ARG 78 CO 0.00 0.15 0.00 1.28 0.00 0.00 0.00 175.30 176.73 2yup n LEU 79 N 1.31 0.00 -3.15 -0.88 4.32 -1.26 -4.90 117.00 112.44 2yup n LEU 79 Ca -0.22 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 55.83 2yup n LEU 79 Cb 0.54 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 2yup n LEU 79 CO 0.21 -0.27 0.43 -0.60 -1.22 0.00 0.00 177.39 175.94 2yup s ARG 80 N -2.00 0.31 -0.96 3.23 3.52 -1.26 -5.10 118.95 116.70 2yup s ARG 80 Ca 0.00 0.50 -0.22 0.00 -0.13 0.00 0.00 55.73 55.88 2yup s ARG 80 Cb 0.00 0.27 0.08 0.00 -1.56 0.00 0.00 34.95 33.74 2yup s ARG 80 CO 0.00 -0.39 1.32 -0.51 -0.81 0.00 0.00 175.30 174.91 2yup s LEU 81 N 2.92 4.01 -0.89 -0.88 1.43 -1.26 -4.43 118.68 119.58 2yup s LEU 81 Ca 0.09 -1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 51.52 2yup s LEU 81 Cb -0.10 -2.51 0.11 0.00 0.03 0.00 0.00 46.19 43.72 2yup s LEU 81 CO -0.16 -1.39 0.28 0.00 0.23 0.00 0.00 176.35 175.31 2yup n ASP 83 N -1.38 0.82 -4.45 0.00 2.03 -1.26 -4.71 116.55 107.61 2yup n ASP 83 Ca 0.06 0.02 -0.64 0.00 0.52 0.00 0.00 54.79 54.75 2yup n ASP 83 Cb 0.34 -1.09 -0.10 0.00 -0.72 0.00 0.00 41.12 39.55 2yup n ASP 83 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2yup n ASP 84 N 11.80 1.11 -4.18 1.67 2.03 -1.26 -4.92 116.55 122.79 2yup n ASP 84 Ca 0.58 1.09 -0.11 0.00 0.52 0.00 0.00 54.79 56.87 2yup n ASP 84 Cb 0.16 -0.83 -0.10 0.00 -0.72 0.00 0.00 41.12 39.63 2yup n ASP 84 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2yup s SER 85 N 3.04 0.48 -0.65 1.67 1.04 -1.26 -5.04 113.70 112.97 2yup s SER 85 Ca 1.00 -1.25 -0.15 0.00 0.48 0.00 0.00 55.95 56.04 2yup s SER 85 Cb -1.41 0.28 -0.17 0.00 0.10 0.00 0.00 66.02 64.81 2yup s SER 85 CO 0.76 -0.72 1.62 0.61 0.98 0.00 0.00 173.24 176.49 2yup n GLY 86 N -0.17 -0.32 3.75 7.32 0.00 -1.26 -4.80 105.19 109.72 2yup n GLY 86 Ca -0.04 0.48 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 2yup n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yup s PRO 87 N 5.35 4.43 -0.36 1.61 0.04 -1.26 -5.00 135.00 139.81 2yup s PRO 87 Ca 0.87 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.80 2yup s PRO 87 Cb -0.72 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 30.66 2yup s PRO 87 CO 0.34 -0.14 0.41 0.45 0.04 0.00 0.00 177.00 178.10 2yup s SER 88 N -0.17 6.21 0.10 6.66 0.15 -1.26 -5.03 113.70 120.36 2yup s SER 88 Ca 0.52 -0.26 -0.33 0.00 0.70 0.00 0.00 55.95 56.58 2yup s SER 88 Cb -0.37 -2.22 -0.12 0.00 -1.71 0.00 0.00 66.02 61.61 2yup s SER 88 CO 0.43 -0.41 1.73 -1.54 1.20 0.00 0.00 173.24 174.66 2yup n SER 89 N 5.49 3.53 0.00 5.45 3.41 -1.26 -5.30 113.62 124.95 2yup n SER 89 Ca -0.08 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2yup n SER 89 Cb 0.49 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49