#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 0.74 -0.64 1.61 0.01 -1.26 -5.06 113.70 109.11 2yup s SER 2 Ca 0.00 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.60 2yup s SER 2 Cb 0.00 0.08 0.41 0.00 0.21 0.00 0.00 66.02 66.71 2yup s SER 2 CO 0.00 -0.31 1.72 -0.24 0.41 0.00 0.00 173.24 174.81 2yup n SER 3 N 1.07 6.61 0.00 2.44 2.88 -1.26 -4.96 113.62 120.40 2yup n SER 3 Ca -0.20 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.55 2yup n SER 3 Cb 0.56 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2yup n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yup n GLY 4 N -0.65 3.79 3.69 0.46 0.00 -1.26 -5.04 105.19 106.17 2yup n GLY 4 Ca 0.52 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 6.68 -1.22 1.61 0.15 -1.26 -4.93 113.70 114.74 2yup s SER 5 Ca 0.00 2.35 -0.09 0.00 0.70 0.00 0.00 55.95 58.90 2yup s SER 5 Cb 0.00 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 61.95 2yup s SER 5 CO 0.00 -0.84 1.66 -1.20 1.20 0.00 0.00 173.24 174.06 2yup n SER 6 N 5.70 5.41 0.00 5.45 7.64 -1.26 -4.89 113.62 131.66 2yup n SER 6 Ca 0.15 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2yup n SER 6 Cb 0.42 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2yup n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yup n GLY 7 N 2.77 0.78 3.59 0.23 0.00 -1.26 -5.12 105.19 106.18 2yup n GLY 7 Ca 0.35 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.78 0.84 0.52 1.61 -2.85 -1.26 -5.16 119.74 111.65 2yup s LYS 8 Ca 0.00 0.63 -0.20 0.00 -1.00 0.00 0.00 55.97 55.40 2yup s LYS 8 Cb 0.00 0.40 -0.06 0.00 -2.06 0.00 0.00 37.83 36.11 2yup s LYS 8 CO 0.00 -0.17 1.14 -1.25 0.10 0.00 0.00 175.35 175.16 2yup s PRO 9 N -0.27 3.47 0.54 1.78 0.04 -1.26 -5.01 135.00 134.29 2yup s PRO 9 Ca -0.03 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 2yup s PRO 9 Cb -0.03 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2yup s PRO 9 CO 0.03 -0.76 1.13 -1.25 0.04 0.00 0.00 177.00 176.19 2yup s PRO 10 N -3.12 3.36 -0.29 0.56 0.04 -1.26 -5.05 135.00 129.24 2yup s PRO 10 Ca 0.70 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 63.33 2yup s PRO 10 Cb -0.25 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.45 2yup s PRO 10 CO 0.29 -0.85 0.56 0.99 0.04 0.00 0.00 177.00 178.03 2yup s THR 11 N -1.77 -0.91 -0.84 1.26 2.01 -1.26 -5.08 115.64 109.04 2yup s THR 11 Ca 0.73 -0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.50 2yup s THR 11 Cb -0.24 -0.95 -0.19 0.00 0.01 0.00 0.00 72.50 71.13 2yup s THR 11 CO 0.27 -0.02 2.33 0.00 -0.69 0.00 0.00 174.62 176.50 2yup n TYR 12 N 5.42 0.87 0.55 4.92 4.19 -1.26 -4.59 117.16 127.26 2yup n TYR 12 Ca -0.03 -0.02 0.06 0.00 3.31 0.00 0.00 57.90 61.22 2yup n TYR 12 Cb 0.51 -2.11 0.01 0.00 0.49 0.00 0.00 39.34 38.24 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 7.97 1.66 -0.48 2.98 1.13 -1.26 -4.58 117.38 124.79 2yup n GLN 13 Ca 0.51 -0.83 -0.03 0.00 -1.94 0.00 0.00 57.00 54.71 2yup n GLN 13 Cb 0.37 -1.18 0.01 0.00 0.11 0.00 0.00 30.24 29.55 2yup n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2yup n VAL 14 N 0.02 1.96 -1.80 5.09 0.31 -1.26 -4.93 118.33 117.72 2yup n VAL 14 Ca 0.06 -0.62 -0.38 0.00 -0.01 0.00 0.00 64.34 63.39 2yup n VAL 14 Cb 0.28 -1.36 0.05 0.00 -0.91 0.00 0.00 33.84 31.89 2yup n VAL 14 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2yup s LEU 15 N -0.35 3.73 -0.26 7.52 2.01 -1.26 -4.91 118.68 125.17 2yup s LEU 15 Ca 0.06 2.67 0.08 0.00 0.01 0.00 0.00 54.13 56.95 2yup s LEU 15 Cb 0.05 -4.43 0.62 0.00 0.01 0.00 0.00 46.19 42.43 2yup s LEU 15 CO 0.00 -1.72 1.60 -1.84 1.01 0.00 0.00 176.35 175.40 2yup n GLU 16 N -1.39 3.34 -1.50 1.70 0.00 -1.26 -4.96 120.64 116.56 2yup n GLU 16 Ca 0.13 -2.50 -0.30 0.00 0.00 0.00 0.00 57.16 54.48 2yup n GLU 16 Cb 0.47 -2.06 0.10 0.00 0.00 0.00 0.00 31.44 29.94 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 -2.52 2.76 0.67 -1.84 1.51 -1.26 -3.45 117.35 113.22 2yup s TYR 17 Ca 0.45 1.19 -0.08 0.00 -1.01 0.00 0.00 57.07 57.62 2yup s TYR 17 Cb 0.36 -3.11 0.03 0.00 -0.11 0.00 0.00 41.96 39.12 2yup s TYR 17 CO 0.11 -1.84 1.00 0.20 -1.11 0.00 0.00 175.55 173.92 2yup s GLY 18 N -3.81 1.63 -0.14 0.71 0.00 -1.21 -4.81 107.32 99.68 2yup s GLY 18 Ca 0.61 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.67 2yup s GLY 18 CO 0.55 -0.33 -0.21 1.85 0.00 0.00 0.00 173.10 174.96 2yup s GLU 19 N -5.19 3.05 -0.04 2.90 2.56 -0.85 -2.67 118.70 118.46 2yup s GLU 19 Ca 0.57 -0.84 -0.02 0.00 0.00 0.00 0.00 54.97 54.69 2yup s GLU 19 Cb -0.11 -2.47 0.03 0.00 2.00 0.00 0.00 34.13 33.58 2yup s GLU 19 CO 0.47 -0.02 0.08 0.00 -0.56 0.00 0.00 175.26 175.22 2yup s ALA 20 N 0.84 -0.10 -0.19 6.30 0.00 -1.21 -1.81 121.76 125.60 2yup s ALA 20 Ca -0.06 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 2yup s ALA 20 Cb -0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2yup s ALA 20 CO -0.02 -0.10 0.01 0.08 0.00 0.00 0.00 175.76 175.73 2yup s VAL 21 N 0.81 4.18 0.40 0.00 1.01 -0.57 -2.62 120.40 123.61 2yup s VAL 21 Ca -0.06 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 2yup s VAL 21 Cb -0.09 -2.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 2yup s VAL 21 CO -0.03 0.44 1.48 0.00 0.00 0.00 0.00 175.10 176.99 2yup s ALA 22 N 0.73 3.50 -0.06 5.51 0.00 -1.13 0.08 121.76 130.38 2yup s ALA 22 Ca 0.01 1.56 0.03 0.00 0.00 0.00 0.00 51.96 53.56 2yup s ALA 22 Cb -0.14 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 2yup s ALA 22 CO 0.02 -1.10 -0.02 1.04 0.00 0.00 0.00 175.76 175.70 2yup n GLN 23 N 0.29 1.77 -4.54 0.00 1.13 -1.11 -0.58 117.38 114.33 2yup n GLN 23 Ca 0.02 0.02 -0.21 0.00 -1.94 0.00 0.00 57.00 54.89 2yup n GLN 23 Cb 0.40 -1.15 -0.15 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.14 1.11 -0.27 1.08 1.51 -1.12 -4.74 117.35 112.77 2yup s TYR 24 Ca -0.06 -0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 2yup s TYR 24 Cb 0.02 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 2yup s TYR 24 CO 0.20 -0.02 1.60 0.99 -1.11 0.00 0.00 175.55 177.22 2yup s THR 25 N -0.31 3.72 0.43 -0.71 2.01 -1.26 -4.44 115.64 115.07 2yup s THR 25 Ca 0.05 0.78 0.05 0.00 0.31 0.00 0.00 61.69 62.87 2yup s THR 25 Cb -0.05 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2yup s THR 25 CO -0.00 -0.39 0.60 0.12 -0.69 0.00 0.00 174.62 174.26 2yup s PHE 26 N 5.49 3.01 -0.07 4.92 2.19 -1.11 -5.00 117.98 127.42 2yup s PHE 26 Ca 0.71 -0.13 -0.03 0.00 0.33 0.00 0.00 56.93 57.81 2yup s PHE 26 Cb -0.22 -2.32 0.04 0.00 -1.31 0.00 0.00 43.02 39.21 2yup s PHE 26 CO 0.30 -0.37 0.16 0.21 1.83 0.00 0.00 175.22 177.35 2yup s LYS 27 N -4.42 0.11 0.03 10.12 2.47 -1.26 -4.08 119.74 122.70 2yup s LYS 27 Ca 0.51 0.38 -0.09 0.00 -1.56 0.00 0.00 55.97 55.20 2yup s LYS 27 Cb -0.10 -0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.12 2yup s LYS 27 CO 0.35 -0.16 0.19 0.20 0.16 0.00 0.00 175.35 176.08 2yup s GLY 28 N 1.12 0.03 -0.09 5.54 0.00 -1.26 -4.95 107.32 107.70 2yup s GLY 28 Ca -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.43 2yup s GLY 28 CO -0.06 -0.41 -0.05 1.22 0.00 0.00 0.00 173.10 173.80 2yup n ASP 29 N 0.85 3.15 -4.81 1.64 8.00 -1.26 -4.87 116.55 119.25 2yup n ASP 29 Ca -0.20 -0.04 -0.31 0.00 0.71 0.00 0.00 54.79 54.96 2yup n ASP 29 Cb 0.58 0.14 0.06 0.00 -0.02 0.00 0.00 41.12 41.88 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yup s LEU 30 N -5.24 3.13 0.23 0.64 1.02 -1.26 -4.96 118.68 112.24 2yup s LEU 30 Ca -0.10 1.68 -0.05 0.00 0.02 0.00 0.00 54.13 55.67 2yup s LEU 30 Cb 0.03 -4.50 0.23 0.00 0.02 0.00 0.00 46.19 41.97 2yup s LEU 30 CO 0.27 -1.58 1.78 -0.08 0.02 0.00 0.00 176.35 176.76 2yup h GLU 31 N -0.75 1.05 -0.60 1.70 4.81 -1.96 -2.78 114.58 116.06 2yup h GLU 31 Ca -0.44 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 58.48 2yup h GLU 31 Cb 1.22 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2yup h GLU 31 CO 0.55 0.90 0.01 -0.39 -0.73 0.00 0.00 179.01 179.35 2yup h VAL 32 N 1.01 1.26 -1.75 0.32 -1.51 -1.93 -3.38 116.25 110.28 2yup h VAL 32 Ca 0.22 -1.13 -0.52 0.00 -1.23 0.00 0.00 66.70 64.04 2yup h VAL 32 Cb 0.29 0.79 -0.07 0.00 -2.13 0.00 0.00 31.29 30.17 2yup h VAL 32 CO -0.01 0.41 1.20 -1.61 -1.23 0.00 0.00 177.57 176.33 2yup s GLU 33 N -5.03 3.13 0.02 5.19 0.41 -1.05 -0.19 118.70 121.19 2yup s GLU 33 Ca -0.11 -0.35 -0.20 0.00 -0.41 0.00 0.00 54.97 53.90 2yup s GLU 33 Cb 0.14 -4.65 -0.06 0.00 -1.78 0.00 0.00 34.13 27.78 2yup s GLU 33 CO 0.85 -2.41 0.57 -1.17 -0.49 0.00 0.00 175.26 172.61 2yup s LEU 34 N 6.60 4.46 0.38 1.80 2.96 -0.85 -4.40 118.68 129.63 2yup s LEU 34 Ca 0.48 1.18 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 2yup s LEU 34 Cb -0.06 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 2yup s LEU 34 CO 0.07 0.18 0.27 -0.94 -1.32 0.00 0.00 176.35 174.62 2yup s SER 35 N -0.59 4.94 0.10 3.68 1.04 -1.26 -4.75 113.70 116.85 2yup s SER 35 Ca 0.30 -0.74 -0.26 0.00 0.48 0.00 0.00 55.95 55.73 2yup s SER 35 Cb -0.19 -0.70 0.08 0.00 0.10 0.00 0.00 66.02 65.32 2yup s SER 35 CO 0.17 -0.48 0.86 0.72 0.98 0.00 0.00 173.24 175.49 2yup s PHE 36 N -2.44 -0.28 -0.20 5.02 -0.12 -1.26 -4.94 117.98 113.77 2yup s PHE 36 Ca 0.43 0.05 -0.05 0.00 -0.05 0.00 0.00 56.93 57.31 2yup s PHE 36 Cb -0.03 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 2yup s PHE 36 CO 0.26 -0.74 0.01 1.03 -0.05 0.00 0.00 175.22 175.72 2yup s ARG 37 N -3.33 3.65 -0.13 1.99 3.00 -1.26 -2.73 118.95 120.14 2yup s ARG 37 Ca 0.07 -0.50 -0.35 0.00 0.00 0.00 0.00 55.73 54.95 2yup s ARG 37 Cb -0.02 -3.09 -0.16 0.00 0.00 0.00 0.00 34.95 31.68 2yup s ARG 37 CO -0.04 0.04 1.02 1.17 0.00 0.00 0.00 175.30 177.48 2yup n LYS 38 N 4.18 0.00 0.00 3.54 4.81 -1.26 -0.13 118.16 129.29 2yup n LYS 38 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2yup n LYS 38 Cb 0.52 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.33 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 1.88 3.11 3.41 3.14 0.00 0.25 -4.94 105.19 112.03 2yup n GLY 39 Ca 0.19 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.22 -3.64 1.61 -0.58 0.81 -4.54 120.64 114.53 2yup n GLU 40 Ca 0.00 0.11 -0.37 0.00 -0.42 0.00 0.00 57.16 56.48 2yup n GLU 40 Cb 0.00 -1.68 -0.09 0.00 -0.57 0.00 0.00 31.44 29.10 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 -1.95 3.32 -0.10 -0.32 3.76 -1.26 -2.82 115.29 115.93 2yup s HIS 41 Ca 0.62 0.26 0.04 0.00 -0.15 0.00 0.00 55.06 55.83 2yup s HIS 41 Cb -0.35 -2.29 -0.00 0.00 1.11 0.00 0.00 32.58 31.05 2yup s HIS 41 CO 0.61 0.07 -0.23 0.42 -0.85 0.00 0.00 174.74 174.76 2yup s ILE 42 N 1.05 2.16 -0.20 0.60 1.01 -1.08 -4.91 121.20 119.84 2yup s ILE 42 Ca 0.08 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 2yup s ILE 42 Cb -0.14 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2yup s ILE 42 CO 0.05 0.56 0.64 0.00 0.00 0.00 0.00 174.94 176.18 2yup s LEU 44 N 1.93 4.16 -0.02 0.00 1.43 -1.09 -3.01 118.68 122.08 2yup s LEU 44 Ca 0.29 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 55.03 2yup s LEU 44 Cb -0.16 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2yup s LEU 44 CO 0.10 -0.81 0.34 0.40 0.23 0.00 0.00 176.35 176.62 2yup h ILE 45 N 5.55 0.00 -1.65 -0.59 1.08 -0.73 -3.20 117.51 117.97 2yup h ILE 45 Ca -0.27 -0.23 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 2yup h ILE 45 Cb 1.11 0.00 -0.27 0.00 -3.07 0.00 0.00 36.82 34.59 2yup h ILE 45 CO 0.98 0.00 -0.40 -0.60 -0.69 0.00 0.00 178.15 177.43 2yup s ARG 46 N -1.99 0.42 -0.68 2.37 3.52 -1.26 -4.89 118.95 116.44 2yup s ARG 46 Ca -0.02 0.72 -0.39 0.00 -0.13 0.00 0.00 55.73 55.91 2yup s ARG 46 Cb 0.00 -0.10 -0.20 0.00 -1.56 0.00 0.00 34.95 33.10 2yup s ARG 46 CO 0.06 -0.61 2.35 1.17 -0.81 0.00 0.00 175.30 177.46 2yup n LYS 47 N 5.39 0.03 0.16 5.12 4.81 -1.26 -4.36 118.16 128.05 2yup n LYS 47 Ca -0.03 0.01 -0.06 0.00 -0.87 0.00 0.00 58.31 57.35 2yup n LYS 47 Cb 0.50 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.99 2yup n LYS 47 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yup h VAL 48 N 7.38 0.00 -3.76 3.15 2.07 -1.84 -3.48 116.25 119.77 2yup h VAL 48 Ca -0.09 -0.16 -0.50 0.00 0.82 0.00 0.00 66.70 66.78 2yup h VAL 48 Cb 1.38 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.01 2yup h VAL 48 CO 1.20 0.00 -0.51 0.20 0.02 0.00 0.00 177.57 178.48 2yup s ASN 49 N -3.35 2.11 0.00 0.57 0.01 -0.20 -4.99 114.94 109.09 2yup s ASN 49 Ca -0.06 -1.69 0.08 0.00 -0.71 0.00 0.00 52.86 50.48 2yup s ASN 49 Cb 0.01 0.51 0.38 0.00 0.41 0.00 0.00 41.25 42.56 2yup s ASN 49 CO 0.18 -0.98 1.21 -1.84 -1.51 0.00 0.00 177.10 174.17 2yup n GLU 50 N -0.74 0.05 0.02 -0.60 0.28 -1.26 -3.66 120.64 114.73 2yup n GLU 50 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 2yup n GLU 50 Cb 0.64 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.01 2yup n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2yup n ASN 51 N -1.41 0.15 -4.81 -1.84 3.02 -1.26 -5.05 115.26 104.05 2yup n ASN 51 Ca 0.03 0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.29 2yup n ASN 51 Cb 0.08 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2yup s TRP 52 N -2.00 3.39 0.20 3.10 0.52 -1.24 -2.58 118.94 120.33 2yup s TRP 52 Ca 0.00 1.63 0.03 0.00 0.02 0.00 0.00 56.10 57.78 2yup s TRP 52 Cb 0.00 -2.85 -0.01 0.00 -1.15 0.00 0.00 33.47 29.46 2yup s TRP 52 CO 0.00 -0.04 0.11 0.66 0.02 0.00 0.00 176.95 177.70 2yup n TYR 53 N -0.39 -0.13 -3.76 -1.98 4.01 -0.80 -1.04 117.16 113.06 2yup n TYR 53 Ca 0.06 -1.41 -0.13 0.00 -0.16 0.00 0.00 57.90 56.26 2yup n TYR 53 Cb 0.53 0.06 -0.13 0.00 -0.31 0.00 0.00 39.34 39.49 2yup n TYR 53 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2yup s GLU 54 N -2.77 0.16 0.05 -0.72 2.12 -1.26 -2.20 118.70 114.09 2yup s GLU 54 Ca 0.15 0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.85 2yup s GLU 54 Cb 0.01 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2yup s GLU 54 CO 0.11 -0.12 0.08 0.41 -0.54 0.00 0.00 175.26 175.19 2yup n GLY 55 N 3.82 2.84 3.34 -1.50 0.00 -0.15 0.04 105.19 113.58 2yup n GLY 55 Ca -0.22 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2yup n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2yup s ARG 56 N -2.10 1.19 -0.58 1.61 1.70 -1.16 -2.28 118.95 117.32 2yup s ARG 56 Ca 0.04 -1.23 0.06 0.00 -0.47 0.00 0.00 55.73 54.13 2yup s ARG 56 Cb -0.00 0.37 0.27 0.00 -0.57 0.00 0.00 34.95 35.01 2yup s ARG 56 CO 0.03 -0.43 0.74 -0.89 -1.08 0.00 0.00 175.30 173.67 2yup n ILE 57 N -0.23 1.91 -1.10 4.99 2.08 -0.89 -3.93 119.36 122.19 2yup n ILE 57 Ca -0.06 -5.07 -0.46 0.00 0.56 0.00 0.00 62.75 57.73 2yup n ILE 57 Cb 0.63 -1.91 -0.08 0.00 -0.75 0.00 0.00 39.64 37.54 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 0.75 0.00 0.00 1.39 -1.04 -1.26 -1.02 114.28 113.09 2yup n THR 58 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2yup n THR 58 Cb 0.43 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 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 3.74 1.57 3.26 3.41 0.00 -1.26 -5.09 105.19 110.83 2yup n GLY 59 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 2yup n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yup s THR 60 N -2.02 0.00 -1.00 2.61 -4.23 -0.19 -5.03 115.64 105.78 2yup s THR 60 Ca 0.00 -1.89 0.25 0.00 -1.18 0.00 0.00 61.69 58.87 2yup s THR 60 Cb 0.00 -2.43 0.21 0.00 1.34 0.00 0.00 72.50 71.61 2yup s THR 60 CO 0.00 -0.02 1.80 0.61 -0.54 0.00 0.00 174.62 176.47 2yup n GLY 61 N -0.28 -1.36 3.68 3.99 0.00 -1.26 -4.72 105.19 105.23 2yup n GLY 61 Ca 0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.00 4.18 -0.30 1.61 3.00 -1.26 -4.95 118.95 118.23 2yup s ARG 62 Ca 0.12 2.34 -0.16 0.00 0.00 0.00 0.00 55.73 58.02 2yup s ARG 62 Cb 0.16 -3.79 0.18 0.00 0.00 0.00 0.00 34.95 31.50 2yup s ARG 62 CO 0.46 -0.80 1.10 -1.14 0.00 0.00 0.00 175.30 174.92 2yup s GLN 63 N 3.31 0.19 0.00 3.54 0.74 -1.26 -2.09 119.66 124.09 2yup s GLN 63 Ca 0.76 0.47 0.00 0.00 0.05 0.00 0.00 55.36 56.64 2yup s GLN 63 Cb -0.38 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.01 2yup s GLN 63 CO 0.33 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.40 2yup n GLY 64 N 4.87 -0.77 3.93 2.59 0.00 -0.97 -4.73 105.19 110.12 2yup n GLY 64 Ca -0.08 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2yup n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yup s ILE 65 N -3.95 5.09 0.07 -0.61 -4.36 0.74 -0.97 121.20 117.21 2yup s ILE 65 Ca 0.00 -1.01 -0.26 0.00 -0.26 0.00 0.00 60.65 59.12 2yup s ILE 65 Cb 0.00 -3.73 0.07 0.00 1.25 0.00 0.00 42.46 40.05 2yup s ILE 65 CO 0.00 -0.28 0.63 0.72 0.24 0.00 0.00 174.94 176.25 2yup s PHE 66 N -1.95 -0.59 0.19 1.37 -0.12 -0.93 -2.00 117.98 113.95 2yup s PHE 66 Ca 0.34 0.66 -0.30 0.00 -0.05 0.00 0.00 56.93 57.58 2yup s PHE 66 Cb -0.09 0.49 -0.09 0.00 -0.63 0.00 0.00 43.02 42.71 2yup s PHE 66 CO 0.28 -0.75 1.31 -1.25 -0.05 0.00 0.00 175.22 174.76 2yup s PRO 67 N -2.67 4.38 0.05 1.99 0.04 -1.26 -1.91 135.00 135.61 2yup s PRO 67 Ca -0.04 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 2yup s PRO 67 Cb -0.01 -3.21 -0.17 0.00 0.04 0.00 0.00 34.50 31.16 2yup s PRO 67 CO -0.03 -0.27 1.49 0.00 0.04 0.00 0.00 177.00 178.23 2yup h ALA 68 N 5.57 -0.38 -1.19 8.56 0.00 -1.81 -2.66 119.26 127.34 2yup h ALA 68 Ca -0.44 -0.14 0.35 0.00 0.00 0.00 0.00 54.91 54.67 2yup h ALA 68 Cb 1.21 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2yup h ALA 68 CO 0.78 -0.63 1.21 0.43 0.00 0.00 0.00 179.25 181.04 2yup n SER 69 N -5.18 0.00 0.09 0.00 7.64 -1.26 0.23 113.62 115.13 2yup n SER 69 Ca -0.10 0.77 -0.22 0.00 1.01 0.00 0.00 58.87 60.33 2yup n SER 69 Cb 0.22 -0.30 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 2yup n SER 69 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2yup h TYR 70 N 0.00 0.72 -1.32 1.43 -1.99 -1.87 -3.47 116.97 110.47 2yup h TYR 70 Ca 0.57 -0.53 -0.45 0.00 2.00 0.00 0.00 58.73 60.32 2yup h TYR 70 Cb 2.97 -0.03 0.01 0.00 2.00 0.00 0.00 36.73 41.68 2yup h TYR 70 CO 0.00 1.41 -0.26 0.14 -0.00 0.00 0.00 178.16 179.45 2yup s VAL 71 N -2.50 2.74 -0.10 -2.88 -7.23 0.63 -2.77 120.40 108.29 2yup s VAL 71 Ca -0.12 -1.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2yup s VAL 71 Cb 0.02 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2yup s VAL 71 CO 0.88 0.00 0.01 -1.58 -0.31 0.00 0.00 175.10 174.09 2yup s GLN 72 N -4.36 3.17 -0.32 4.82 0.74 0.11 -4.82 119.66 119.01 2yup s GLN 72 Ca 0.54 -0.41 -0.10 0.00 0.05 0.00 0.00 55.36 55.44 2yup s GLN 72 Cb -0.08 -2.86 -0.00 0.00 1.10 0.00 0.00 33.01 31.17 2yup s GLN 72 CO 0.33 0.61 0.17 0.08 -0.55 0.00 0.00 175.29 175.92 2yup s VAL 73 N -0.61 4.67 -0.25 1.34 1.01 -1.26 -1.52 120.40 123.78 2yup s VAL 73 Ca 0.10 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2yup s VAL 73 Cb -0.12 -3.42 -0.16 0.00 0.00 0.00 0.00 36.38 32.68 2yup s VAL 73 CO 0.02 0.01 -0.22 -1.20 0.00 0.00 0.00 175.10 173.71 2yup n SER 74 N 5.00 2.08 -3.55 3.32 7.64 -0.75 -4.94 113.62 122.42 2yup n SER 74 Ca -0.13 -0.13 -0.18 0.00 1.01 0.00 0.00 58.87 59.43 2yup n SER 74 Cb 0.49 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.49 0.15 0.44 1.43 3.52 -1.07 -4.98 118.95 115.95 2yup s ARG 75 Ca -0.33 0.29 -0.24 0.00 -0.13 0.00 0.00 55.73 55.32 2yup s ARG 75 Cb 0.09 -0.99 -0.10 0.00 -1.56 0.00 0.00 34.95 32.39 2yup s ARG 75 CO 0.57 -0.56 1.08 0.39 -0.81 0.00 0.00 175.30 175.96 2yup n GLU 76 N 5.32 1.45 -1.23 5.12 -0.58 -1.26 -2.02 120.64 127.45 2yup n GLU 76 Ca -0.05 0.52 -0.30 0.00 -0.42 0.00 0.00 57.16 56.91 2yup n GLU 76 Cb 0.50 -2.15 0.12 0.00 -0.57 0.00 0.00 31.44 29.33 2yup n GLU 76 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2yup s PRO 77 N -2.17 1.59 -0.05 3.49 0.04 -1.26 -4.60 135.00 132.04 2yup s PRO 77 Ca 0.64 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 2yup s PRO 77 Cb -0.52 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.20 2yup s PRO 77 CO 0.56 -2.04 -0.01 0.50 0.04 0.00 0.00 177.00 176.05 2yup s ARG 78 N -4.93 0.57 -0.09 4.56 6.06 -1.22 -4.90 118.95 118.99 2yup s ARG 78 Ca 0.63 0.04 0.00 0.00 -2.50 0.00 0.00 55.73 53.90 2yup s ARG 78 Cb -0.18 -0.78 -0.06 0.00 0.06 0.00 0.00 34.95 34.00 2yup s ARG 78 CO 0.57 -0.19 -0.08 1.47 -2.50 0.00 0.00 175.30 174.56 2yup n LEU 79 N 4.54 2.84 -3.23 -0.88 -0.00 -1.26 -4.73 117.00 114.28 2yup n LEU 79 Ca -0.18 -0.04 0.04 0.00 -0.00 0.00 0.00 56.01 55.84 2yup n LEU 79 Cb 0.50 -0.31 -0.02 0.00 -0.00 0.00 0.00 43.42 43.60 2yup n LEU 79 CO 0.17 0.62 0.48 -0.60 -0.00 0.00 0.00 177.39 178.07 2yup s ARG 80 N -2.18 0.32 -0.64 1.47 6.06 -1.26 -5.10 118.95 117.62 2yup s ARG 80 Ca -0.12 0.63 -0.29 0.00 -2.50 0.00 0.00 55.73 53.45 2yup s ARG 80 Cb 0.03 0.36 -0.13 0.00 0.06 0.00 0.00 34.95 35.28 2yup s ARG 80 CO 0.20 -0.27 2.48 1.28 -2.50 0.00 0.00 175.30 176.48 2yup n LEU 81 N 5.33 1.60 -4.12 -0.88 4.77 -1.26 -4.90 117.00 117.53 2yup n LEU 81 Ca -0.06 -0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.51 2yup n LEU 81 Cb 0.53 -1.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.14 2yup n LEU 81 CO -0.05 -1.13 -0.52 0.00 -1.33 0.00 0.00 177.39 174.35 2yup s ASP 83 N 0.61 -0.28 0.01 0.00 2.15 -1.26 -5.09 116.67 112.81 2yup s ASP 83 Ca -0.14 -0.46 -0.00 0.00 0.43 0.00 0.00 52.55 52.37 2yup s ASP 83 Cb -0.17 0.64 -0.00 0.00 -0.30 0.00 0.00 42.92 43.09 2yup s ASP 83 CO 0.04 -1.16 -0.00 -0.67 -0.17 0.00 0.00 175.17 173.21 2yup n ASP 84 N -0.45 0.16 -3.36 -0.34 2.03 -1.26 -5.04 116.55 108.29 2yup n ASP 84 Ca -0.06 0.02 -0.10 0.00 0.52 0.00 0.00 54.79 55.16 2yup n ASP 84 Cb 0.60 -0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 40.87 2yup n ASP 84 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2yup s SER 85 N -5.15 0.44 0.05 1.67 0.15 -1.26 -5.15 113.70 104.46 2yup s SER 85 Ca -0.00 0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.78 2yup s SER 85 Cb 0.00 1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 65.30 2yup s SER 85 CO 0.00 -0.31 -0.16 -0.83 1.20 0.00 0.00 173.24 173.14 2yup s GLY 86 N 2.51 0.93 -0.36 9.45 0.00 -1.26 -5.10 107.32 113.50 2yup s GLY 86 Ca 0.12 -0.96 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 2yup s GLY 86 CO -0.18 -0.94 1.71 2.56 0.00 0.00 0.00 173.10 176.25 2yup s PRO 87 N -1.34 3.36 -0.26 2.90 0.04 -1.26 -4.96 135.00 133.48 2yup s PRO 87 Ca 0.03 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 2yup s PRO 87 Cb -0.09 -4.16 0.01 0.00 0.04 0.00 0.00 34.50 30.30 2yup s PRO 87 CO 0.02 -1.82 1.13 0.45 0.04 0.00 0.00 177.00 176.82 2yup s SER 88 N 5.65 6.95 -1.53 6.66 0.15 -1.26 -3.62 113.70 126.70 2yup s SER 88 Ca 0.75 1.30 -0.12 0.00 0.70 0.00 0.00 55.95 58.58 2yup s SER 88 Cb -0.20 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.65 2yup s SER 88 CO 0.33 -0.82 0.87 -0.24 1.20 0.00 0.00 173.24 174.58 2yup n SER 89 N 6.75 -3.75 0.00 5.45 2.88 -1.26 -5.36 113.62 118.33 2yup n SER 89 Ca 0.13 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 2yup n SER 89 Cb 0.46 -3.63 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42