#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 1.38 0.54 1.61 0.01 -1.26 -5.14 113.70 110.84 2yup s SER 2 Ca 0.00 -0.82 -0.19 0.00 1.31 0.00 0.00 55.95 56.25 2yup s SER 2 Cb 0.00 0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.19 2yup s SER 2 CO 0.00 -0.28 1.08 -0.94 0.41 0.00 0.00 173.24 173.51 2yup s SER 3 N -2.46 5.91 0.00 2.44 1.04 -1.26 -5.03 113.70 114.34 2yup s SER 3 Ca 0.05 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.50 2yup s SER 3 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2yup s SER 3 CO -0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2yup n GLY 4 N -0.23 5.23 2.66 7.32 0.00 -1.26 -5.16 105.19 113.77 2yup n GLY 4 Ca 0.10 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 2yup n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yup s SER 5 N 1.17 1.62 0.18 1.61 0.01 -1.26 -5.03 113.70 112.00 2yup s SER 5 Ca 0.00 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.95 2yup s SER 5 Cb 0.00 -0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.10 2yup s SER 5 CO 0.00 -0.28 1.83 -1.28 0.41 0.00 0.00 173.24 173.92 2yup h SER 6 N 8.42 0.70 0.00 2.44 0.87 -2.05 -3.45 113.55 120.47 2yup h SER 6 Ca -0.14 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2yup h SER 6 Cb 1.13 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2yup h SER 6 CO 0.21 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.65 2yup n GLY 7 N -1.19 1.41 3.86 5.77 0.00 -1.26 -4.78 105.19 109.01 2yup n GLY 7 Ca 0.04 0.34 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.88 0.51 1.61 -2.85 -1.26 -5.07 119.74 116.56 2yup s LYS 8 Ca 0.00 0.34 -0.21 0.00 -1.00 0.00 0.00 55.97 55.11 2yup s LYS 8 Cb 0.00 -2.94 -0.06 0.00 -2.06 0.00 0.00 37.83 32.77 2yup s LYS 8 CO 0.00 0.50 1.14 -1.25 0.10 0.00 0.00 175.35 175.84 2yup s PRO 9 N -2.01 3.51 0.00 1.78 0.04 -1.26 -4.91 135.00 132.14 2yup s PRO 9 Ca 0.37 1.68 0.15 0.00 0.04 0.00 0.00 61.00 63.23 2yup s PRO 9 Cb -0.14 -2.16 0.83 0.00 0.04 0.00 0.00 34.50 33.07 2yup s PRO 9 CO 0.19 -0.74 1.37 -0.35 0.04 0.00 0.00 177.00 177.51 2yup n PRO 10 N -0.99 0.35 -3.98 0.56 -0.04 -1.26 -4.54 135.00 125.10 2yup n PRO 10 Ca 0.10 0.07 -0.27 0.00 -0.04 0.00 0.00 63.50 63.36 2yup n PRO 10 Cb 0.50 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 2yup n PRO 10 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2yup s THR 11 N -2.28 1.08 -0.40 0.52 2.01 -1.26 -5.08 115.64 110.23 2yup s THR 11 Ca 0.19 -0.33 -0.41 0.00 0.31 0.00 0.00 61.69 61.44 2yup s THR 11 Cb 0.10 -1.08 -0.16 0.00 0.01 0.00 0.00 72.50 71.37 2yup s THR 11 CO 0.20 0.37 1.95 0.00 -0.69 0.00 0.00 174.62 176.46 2yup n TYR 12 N 4.81 1.63 -1.49 4.92 4.11 -1.26 -4.82 117.16 125.07 2yup n TYR 12 Ca -0.14 0.64 -0.41 0.00 -0.00 0.00 0.00 57.90 57.99 2yup n TYR 12 Cb 0.50 -2.39 0.02 0.00 -0.00 0.00 0.00 39.34 37.46 2yup n TYR 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2yup n GLN 13 N 6.51 0.73 -2.44 -3.48 0.00 -1.26 -4.82 117.38 112.62 2yup n GLN 13 Ca 0.39 0.27 -0.39 0.00 0.00 0.00 0.00 57.00 57.27 2yup n GLN 13 Cb 0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 30.24 28.61 2yup n GLN 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2yup s VAL 14 N -1.48 3.76 0.51 -0.39 1.01 -1.26 -4.96 120.40 117.59 2yup s VAL 14 Ca 0.65 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2yup s VAL 14 Cb -0.56 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.04 2yup s VAL 14 CO 0.57 -1.69 0.21 -1.48 0.00 0.00 0.00 175.10 172.71 2yup s LEU 15 N 6.26 2.61 -0.42 3.92 2.34 -1.26 -5.07 118.68 127.06 2yup s LEU 15 Ca 0.49 -1.38 0.07 0.00 0.06 0.00 0.00 54.13 53.37 2yup s LEU 15 Cb -0.04 -1.05 0.43 0.00 -0.56 0.00 0.00 46.19 44.97 2yup s LEU 15 CO -0.01 -0.91 1.09 -0.62 -1.06 0.00 0.00 176.35 174.84 2yup n GLU 16 N -1.48 3.13 -3.79 1.48 -0.58 -1.26 -5.03 120.64 113.11 2yup n GLU 16 Ca -0.08 -4.33 -0.13 0.00 -0.42 0.00 0.00 57.16 52.20 2yup n GLU 16 Cb 0.65 -2.11 -0.11 0.00 -0.57 0.00 0.00 31.44 29.30 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2yup s TYR 17 N -3.49 -0.24 1.04 -0.32 1.51 -1.26 -4.78 117.35 109.80 2yup s TYR 17 Ca 0.45 0.57 -0.15 0.00 -1.01 0.00 0.00 57.07 56.93 2yup s TYR 17 Cb 0.41 0.08 0.21 0.00 -0.11 0.00 0.00 41.96 42.55 2yup s TYR 17 CO -0.15 -0.18 1.14 0.20 -1.11 0.00 0.00 175.55 175.45 2yup s GLY 18 N -0.17 1.60 -0.05 0.71 0.00 -1.02 -4.83 107.32 103.57 2yup s GLY 18 Ca -0.03 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2yup s GLY 18 CO 0.01 -0.00 -0.12 1.85 0.00 0.00 0.00 173.10 174.84 2yup s GLU 19 N -5.31 1.42 0.04 2.90 2.56 0.27 -2.50 118.70 118.09 2yup s GLU 19 Ca 0.68 -0.40 -0.09 0.00 0.00 0.00 0.00 54.97 55.16 2yup s GLU 19 Cb -0.13 -1.23 0.00 0.00 2.00 0.00 0.00 34.13 34.77 2yup s GLU 19 CO 0.55 0.10 0.18 0.00 -0.56 0.00 0.00 175.26 175.53 2yup s ALA 20 N 0.38 -0.30 -0.03 6.30 0.00 -1.21 -2.32 121.76 124.58 2yup s ALA 20 Ca -0.08 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2yup s ALA 20 Cb -0.12 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2yup s ALA 20 CO 0.02 -0.37 -0.16 0.08 0.00 0.00 0.00 175.76 175.34 2yup s VAL 21 N -2.68 1.28 -0.06 0.00 1.01 -0.57 -2.69 120.40 116.69 2yup s VAL 21 Ca -0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2yup s VAL 21 Cb -0.01 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 2yup s VAL 21 CO -0.05 0.37 1.57 0.00 0.00 0.00 0.00 175.10 177.00 2yup s ALA 22 N -0.08 3.63 -0.10 5.51 0.00 -0.96 0.06 121.76 129.82 2yup s ALA 22 Ca -0.00 0.87 0.10 0.00 0.00 0.00 0.00 51.96 52.93 2yup s ALA 22 Cb -0.09 -3.71 -0.24 0.00 0.00 0.00 0.00 23.12 19.08 2yup s ALA 22 CO 0.01 -1.31 0.44 1.04 0.00 0.00 0.00 175.76 175.94 2yup n GLN 23 N 6.83 0.67 -4.04 0.00 1.13 -1.01 -1.05 117.38 119.91 2yup n GLN 23 Ca 0.16 0.22 -0.16 0.00 -1.94 0.00 0.00 57.00 55.28 2yup n GLN 23 Cb 0.43 -1.71 -0.15 0.00 0.11 0.00 0.00 30.24 28.92 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 -2.57 0.38 -0.18 1.08 1.51 -1.07 -4.88 117.35 111.62 2yup s TYR 24 Ca -0.11 -0.06 -0.28 0.00 -1.01 0.00 0.00 57.07 55.61 2yup s TYR 24 Cb 0.07 -0.34 -0.05 0.00 -0.11 0.00 0.00 41.96 41.53 2yup s TYR 24 CO 0.80 -0.07 2.11 0.99 -1.11 0.00 0.00 175.55 178.27 2yup s THR 25 N 0.43 3.08 0.48 -0.71 2.01 -1.26 -4.70 115.64 114.97 2yup s THR 25 Ca -0.04 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2yup s THR 25 Cb -0.08 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.35 2yup s THR 25 CO -0.01 -0.05 0.69 0.12 -0.69 0.00 0.00 174.62 174.69 2yup s PHE 26 N 7.32 3.07 -0.24 4.92 5.36 -0.89 -5.00 117.98 132.52 2yup s PHE 26 Ca 0.95 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.99 2yup s PHE 26 Cb -0.34 -2.45 0.13 0.00 -0.34 0.00 0.00 43.02 40.02 2yup s PHE 26 CO 0.36 -0.52 0.35 0.21 -1.46 0.00 0.00 175.22 174.16 2yup s LYS 27 N -4.60 0.32 -0.05 10.12 2.20 -1.26 -4.01 119.74 122.46 2yup s LYS 27 Ca 0.52 0.45 0.02 0.00 -0.36 0.00 0.00 55.97 56.60 2yup s LYS 27 Cb -0.10 -0.60 0.01 0.00 -1.51 0.00 0.00 37.83 35.63 2yup s LYS 27 CO 0.37 -0.66 -0.10 0.20 -0.36 0.00 0.00 175.35 174.80 2yup s GLY 28 N 2.51 0.66 -0.04 5.54 0.00 -1.26 -5.02 107.32 109.71 2yup s GLY 28 Ca 0.12 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.58 2yup s GLY 28 CO -0.16 0.17 0.69 -1.80 0.00 0.00 0.00 173.10 172.00 2yup h ASP 29 N 6.93 0.18 -4.02 1.64 3.58 -1.96 -3.42 116.42 119.36 2yup h ASP 29 Ca -0.33 -0.34 -0.52 0.00 0.42 0.00 0.00 57.03 56.26 2yup h ASP 29 Cb 1.17 -0.06 0.08 0.00 1.72 0.00 0.00 39.33 42.25 2yup h ASP 29 CO 0.48 1.30 0.51 -0.76 -2.88 0.00 0.00 179.24 177.88 2yup s LEU 30 N -6.55 3.95 0.14 2.28 1.43 -1.26 -4.94 118.68 113.73 2yup s LEU 30 Ca -0.09 2.40 -0.28 0.00 -1.03 0.00 0.00 54.13 55.13 2yup s LEU 30 Cb 0.08 -4.27 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 2yup s LEU 30 CO 0.82 -1.10 1.58 -0.08 0.23 0.00 0.00 176.35 177.80 2yup h GLU 31 N 1.84 -0.40 -0.62 1.70 4.57 -1.96 -1.37 114.58 118.33 2yup h GLU 31 Ca -0.50 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 57.80 2yup h GLU 31 Cb 1.26 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.87 2yup h GLU 31 CO 0.59 -0.27 0.25 -0.39 -1.18 0.00 0.00 179.01 178.01 2yup h VAL 32 N -0.42 0.78 -0.66 0.32 -1.51 -1.92 -3.34 116.25 109.51 2yup h VAL 32 Ca 0.10 -0.15 -0.32 0.00 -1.23 0.00 0.00 66.70 65.10 2yup h VAL 32 Cb 0.60 0.31 -0.05 0.00 -2.13 0.00 0.00 31.29 30.02 2yup h VAL 32 CO -0.46 0.08 0.89 -1.61 -1.23 0.00 0.00 177.57 175.24 2yup s GLU 33 N -6.09 2.60 0.50 5.19 0.41 -0.52 -0.01 118.70 120.78 2yup s GLU 33 Ca -0.13 -0.62 -0.21 0.00 -0.41 0.00 0.00 54.97 53.61 2yup s GLU 33 Cb 0.17 -5.14 -0.07 0.00 -1.78 0.00 0.00 34.13 27.31 2yup s GLU 33 CO 0.75 -3.51 1.10 -1.17 -0.49 0.00 0.00 175.26 171.94 2yup s LEU 34 N 10.10 3.86 -0.07 1.80 2.96 -0.22 -4.12 118.68 132.99 2yup s LEU 34 Ca 0.68 2.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 2yup s LEU 34 Cb -0.04 -4.48 -0.03 0.00 0.50 0.00 0.00 46.19 42.14 2yup s LEU 34 CO 0.03 -0.98 -0.06 -0.44 -1.32 0.00 0.00 176.35 173.58 2yup s SER 35 N -1.73 4.68 0.05 3.68 0.01 -1.26 -4.41 113.70 114.72 2yup s SER 35 Ca 0.68 -0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.76 2yup s SER 35 Cb -0.22 -1.19 0.03 0.00 0.21 0.00 0.00 66.02 64.85 2yup s SER 35 CO 0.26 0.36 0.39 0.72 0.41 0.00 0.00 173.24 175.38 2yup s PHE 36 N -0.81 -0.22 0.41 2.43 -0.12 -1.26 -5.03 117.98 113.39 2yup s PHE 36 Ca 0.12 0.12 0.06 0.00 -0.05 0.00 0.00 56.93 57.19 2yup s PHE 36 Cb -0.11 0.20 0.01 0.00 -0.63 0.00 0.00 43.02 42.48 2yup s PHE 36 CO 0.01 -0.57 0.57 1.03 -0.05 0.00 0.00 175.22 176.21 2yup s ARG 37 N -2.67 2.91 0.16 1.99 0.52 -1.26 -2.10 118.95 118.50 2yup s ARG 37 Ca -0.04 -1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 53.80 2yup s ARG 37 Cb -0.00 -2.73 -0.09 0.00 0.52 0.00 0.00 34.95 32.64 2yup s ARG 37 CO -0.04 -0.21 1.41 0.21 0.02 0.00 0.00 175.30 176.69 2yup s LYS 38 N -4.36 4.31 0.00 3.54 2.20 -1.26 -2.94 119.74 121.23 2yup s LYS 38 Ca 0.52 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 2yup s LYS 38 Cb -0.10 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2yup s LYS 38 CO 0.33 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 2yup n GLY 39 N 3.08 3.04 3.26 5.54 0.00 -0.21 -4.97 105.19 114.92 2yup n GLY 39 Ca 0.10 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 0.06 -3.84 1.61 4.71 -1.15 -4.41 120.64 117.62 2yup n GLU 40 Ca 0.00 0.02 -0.36 0.00 -0.01 0.00 0.00 57.16 56.81 2yup n GLU 40 Cb 0.00 -1.09 -0.13 0.00 -1.01 0.00 0.00 31.44 29.20 2yup n GLU 40 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2yup s HIS 41 N -1.97 3.08 -0.23 -0.32 3.76 -1.26 -2.26 115.29 116.09 2yup s HIS 41 Ca 0.57 -1.02 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 2yup s HIS 41 Cb -0.46 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 2yup s HIS 41 CO 0.66 -0.57 0.05 0.42 -0.85 0.00 0.00 174.74 174.44 2yup s ILE 42 N 1.47 4.21 -0.12 0.60 1.01 -1.10 -4.71 121.20 122.57 2yup s ILE 42 Ca 0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 2yup s ILE 42 Cb -0.16 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2yup s ILE 42 CO -0.00 0.38 1.04 0.00 0.00 0.00 0.00 174.94 176.35 2yup s LEU 44 N 2.25 3.69 0.00 0.00 1.43 -1.04 -3.33 118.68 121.68 2yup s LEU 44 Ca 0.49 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 2yup s LEU 44 Cb -0.19 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2yup s LEU 44 CO 0.16 -1.24 0.00 -0.38 0.23 0.00 0.00 176.35 175.13 2yup n ILE 45 N 6.70 0.00 -3.58 -0.59 5.41 0.11 -2.43 119.36 124.98 2yup n ILE 45 Ca 0.14 0.41 -0.27 0.00 1.00 0.00 0.00 62.75 64.03 2yup n ILE 45 Cb 0.48 -1.24 -0.16 0.00 -0.71 0.00 0.00 39.64 38.01 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 -0.81 0.10 -0.41 0.38 1.81 -1.23 -4.87 118.95 113.93 2yup s ARG 46 Ca 0.00 -0.20 -0.43 0.00 -1.72 0.00 0.00 55.73 53.38 2yup s ARG 46 Cb 0.00 -1.60 -0.17 0.00 -0.45 0.00 0.00 34.95 32.72 2yup s ARG 46 CO 0.00 -0.78 1.81 1.17 -0.68 0.00 0.00 175.30 176.82 2yup n LYS 47 N 5.27 0.53 0.09 3.54 4.81 -1.26 -4.13 118.16 127.01 2yup n LYS 47 Ca -0.07 0.18 -0.06 0.00 -0.87 0.00 0.00 58.31 57.50 2yup n LYS 47 Cb 0.47 -1.82 -0.01 0.00 0.02 0.00 0.00 35.03 33.69 2yup n LYS 47 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2yup h VAL 48 N 5.64 1.59 -2.76 3.15 3.04 -1.82 -3.48 116.25 121.61 2yup h VAL 48 Ca -0.37 -2.87 0.09 0.00 -1.01 0.00 0.00 66.70 62.54 2yup h VAL 48 Cb 1.35 2.57 -0.08 0.00 -2.01 0.00 0.00 31.29 33.13 2yup h VAL 48 CO 1.00 0.82 0.32 0.20 -1.01 0.00 0.00 177.57 178.90 2yup s ASN 49 N -6.81 -0.29 0.00 3.17 0.01 -0.90 -4.94 114.94 105.18 2yup s ASN 49 Ca -0.01 -0.43 0.13 0.00 -0.71 0.00 0.00 52.86 51.85 2yup s ASN 49 Cb 0.11 0.62 0.60 0.00 0.41 0.00 0.00 41.25 42.98 2yup s ASN 49 CO 0.81 -1.12 1.36 -1.84 -1.51 0.00 0.00 177.10 174.80 2yup n GLU 50 N -0.44 0.09 -0.00 -0.60 0.28 -1.26 -3.00 120.64 115.71 2yup n GLU 50 Ca -0.07 0.22 -0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2yup n GLU 50 Cb 0.60 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.97 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 -1.39 4.50 -4.83 -1.84 3.02 -1.26 -5.06 115.26 108.40 2yup n ASN 51 Ca 0.05 -0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.37 2yup n ASN 51 Cb 0.12 0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.02 3.13 0.31 3.10 0.52 -1.16 -2.47 118.94 120.35 2yup s TRP 52 Ca -0.01 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.04 2yup s TRP 52 Cb 0.00 -1.41 -0.05 0.00 -1.15 0.00 0.00 33.47 30.86 2yup s TRP 52 CO 0.03 0.52 0.10 0.71 0.02 0.00 0.00 176.95 178.33 2yup s TYR 53 N -2.11 1.70 -0.09 -1.98 2.02 -0.96 -2.11 117.35 113.81 2yup s TYR 53 Ca 0.33 -1.18 -0.02 0.00 -0.37 0.00 0.00 57.07 55.83 2yup s TYR 53 Cb -0.08 -1.03 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 2yup s TYR 53 CO 0.25 -0.28 0.04 -2.00 -1.57 0.00 0.00 175.55 171.99 2yup s GLU 54 N -3.90 0.30 0.00 -0.62 2.12 -1.26 -2.39 118.70 112.94 2yup s GLU 54 Ca 0.35 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.78 2yup s GLU 54 Cb 0.07 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.35 2yup s GLU 54 CO 0.15 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 2yup n GLY 55 N 5.21 5.36 3.35 -1.50 0.00 -0.85 0.08 105.19 116.84 2yup n GLY 55 Ca -0.06 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 1.60 1.13 -0.90 1.61 1.70 -1.21 -3.25 118.95 119.64 2yup s ARG 56 Ca 0.00 -0.69 -0.06 0.00 -0.47 0.00 0.00 55.73 54.50 2yup s ARG 56 Cb 0.00 0.49 0.23 0.00 -0.57 0.00 0.00 34.95 35.10 2yup s ARG 56 CO 0.00 -0.46 0.82 0.42 -1.08 0.00 0.00 175.30 175.00 2yup s ILE 57 N -3.80 4.98 -0.40 4.99 -1.09 -1.10 -3.85 121.20 120.93 2yup s ILE 57 Ca 0.03 -3.32 -0.45 0.00 -2.23 0.00 0.00 60.65 54.68 2yup s ILE 57 Cb 0.01 -4.07 -0.19 0.00 -1.58 0.00 0.00 42.46 36.63 2yup s ILE 57 CO -0.11 -1.07 1.57 1.07 -1.23 0.00 0.00 174.94 175.17 2yup n THR 58 N 2.94 0.06 0.00 2.92 5.66 -1.26 -1.22 114.28 123.38 2yup n THR 58 Ca 0.18 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2yup n THR 58 Cb 0.40 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 2yup n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yup n GLY 59 N 3.77 3.17 3.82 1.09 0.00 -1.26 -5.07 105.19 110.71 2yup n GLY 59 Ca 0.29 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.09 3.42 -0.28 2.61 -4.23 -0.36 -5.02 115.64 111.70 2yup s THR 60 Ca 0.00 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2yup s THR 60 Cb 0.00 -3.13 0.20 0.00 1.34 0.00 0.00 72.50 70.91 2yup s THR 60 CO 0.00 -0.19 1.95 0.61 -0.54 0.00 0.00 174.62 176.46 2yup n GLY 61 N -1.30 3.86 3.59 3.99 0.00 -1.26 -4.70 105.19 109.37 2yup n GLY 61 Ca -0.02 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.62 2.83 -0.27 1.61 0.52 -1.26 -5.10 118.95 115.67 2yup s ARG 62 Ca 0.28 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 54.71 2yup s ARG 62 Cb 0.22 -2.63 0.07 0.00 0.52 0.00 0.00 34.95 33.13 2yup s ARG 62 CO 0.00 0.64 0.74 -1.14 0.02 0.00 0.00 175.30 175.56 2yup s GLN 63 N -0.75 0.82 0.00 3.54 0.74 -1.26 -2.72 119.66 120.03 2yup s GLN 63 Ca 0.11 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.49 2yup s GLN 63 Cb -0.11 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.40 2yup s GLN 63 CO 0.02 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 2yup n GLY 64 N 2.64 -0.67 3.74 2.59 0.00 -1.20 -4.84 105.19 107.45 2yup n GLY 64 Ca -0.14 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.78 1.98 -0.03 -0.61 -4.36 0.98 -2.00 121.20 113.38 2yup s ILE 65 Ca 0.00 -1.78 -0.29 0.00 -0.26 0.00 0.00 60.65 58.32 2yup s ILE 65 Cb 0.00 -2.76 0.10 0.00 1.25 0.00 0.00 42.46 41.05 2yup s ILE 65 CO 0.00 0.00 0.85 0.72 0.24 0.00 0.00 174.94 176.75 2yup s PHE 66 N -2.69 -0.42 0.24 1.37 -0.71 -1.01 -1.05 117.98 113.71 2yup s PHE 66 Ca 0.33 0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 56.39 2yup s PHE 66 Cb 0.04 0.50 -0.09 0.00 -1.21 0.00 0.00 43.02 42.26 2yup s PHE 66 CO 0.18 -0.54 1.28 -1.25 -1.34 0.00 0.00 175.22 173.56 2yup s PRO 67 N -2.40 4.42 0.05 1.99 0.04 -1.26 -2.27 135.00 135.57 2yup s PRO 67 Ca 0.01 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 2yup s PRO 67 Cb -0.01 -3.17 -0.14 0.00 0.04 0.00 0.00 34.50 31.23 2yup s PRO 67 CO -0.04 -0.18 1.49 0.00 0.04 0.00 0.00 177.00 178.31 2yup h ALA 68 N 4.75 0.15 -0.23 8.56 0.00 -1.80 -2.67 119.26 128.01 2yup h ALA 68 Ca -0.46 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.34 2yup h ALA 68 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2yup h ALA 68 CO 0.73 -0.18 0.78 1.03 0.00 0.00 0.00 179.25 181.62 2yup h SER 69 N -0.07 0.00 0.19 0.00 0.87 -1.93 0.89 113.55 113.51 2yup h SER 69 Ca 0.03 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.24 2yup h SER 69 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2yup h SER 69 CO 0.00 0.00 -1.84 1.88 -0.53 0.00 0.00 176.83 176.34 2yup h TYR 70 N 0.00 0.58 -1.30 2.24 -1.99 -1.87 -3.48 116.97 111.15 2yup h TYR 70 Ca 0.11 -0.42 -0.44 0.00 2.00 0.00 0.00 58.73 59.98 2yup h TYR 70 Cb 1.67 -0.02 0.02 0.00 2.00 0.00 0.00 36.73 40.40 2yup h TYR 70 CO 0.00 1.68 -0.23 0.14 -0.00 0.00 0.00 178.16 179.75 2yup s VAL 71 N -2.57 2.80 -0.18 -2.88 -7.23 0.31 -2.40 120.40 108.24 2yup s VAL 71 Ca -0.18 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 2yup s VAL 71 Cb 0.06 -2.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 2yup s VAL 71 CO 0.82 0.00 -0.12 -1.58 -0.31 0.00 0.00 175.10 173.91 2yup s GLN 72 N -4.41 3.26 -0.22 4.82 0.74 0.11 -4.79 119.66 119.17 2yup s GLN 72 Ca 0.56 -0.71 -0.20 0.00 0.05 0.00 0.00 55.36 55.06 2yup s GLN 72 Cb -0.09 -2.77 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 2yup s GLN 72 CO 0.34 -0.09 0.63 0.08 -0.55 0.00 0.00 175.29 175.70 2yup s VAL 73 N 1.11 5.01 -0.10 1.34 1.01 -1.26 -1.51 120.40 125.99 2yup s VAL 73 Ca 0.01 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 2yup s VAL 73 Cb -0.14 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 2yup s VAL 73 CO -0.03 0.08 -0.10 -1.20 0.00 0.00 0.00 175.10 173.84 2yup n SER 74 N 5.34 2.48 -3.66 3.32 7.64 -0.98 -4.94 113.62 122.81 2yup n SER 74 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2yup n SER 74 Cb 0.49 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.20 0.64 0.81 1.43 6.06 -0.98 -4.98 118.95 119.72 2yup s ARG 75 Ca -0.14 -1.08 -0.14 0.00 -2.50 0.00 0.00 55.73 51.87 2yup s ARG 75 Cb 0.04 -1.77 0.06 0.00 0.06 0.00 0.00 34.95 33.34 2yup s ARG 75 CO 0.22 -1.04 1.02 0.39 -2.50 0.00 0.00 175.30 173.39 2yup n GLU 76 N 4.71 0.17 -0.32 5.12 1.02 -1.26 -0.56 120.64 129.52 2yup n GLU 76 Ca -0.00 0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 2yup n GLU 76 Cb 0.41 -2.29 0.08 0.00 -0.02 0.00 0.00 31.44 29.62 2yup n GLU 76 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2yup n PRO 77 N -2.71 -1.68 0.00 3.49 -0.04 -1.26 -4.51 135.00 128.29 2yup n PRO 77 Ca 0.12 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 2yup n PRO 77 Cb 0.51 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2yup n PRO 77 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2yup n ARG 78 N -2.54 0.00 -3.82 0.54 0.00 -1.26 -4.65 116.66 104.93 2yup n ARG 78 Ca 0.05 0.50 -0.26 0.00 -0.00 0.00 0.00 57.85 58.13 2yup n ARG 78 Cb 0.18 -1.05 -0.07 0.00 0.00 0.00 0.00 32.46 31.52 2yup n ARG 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2yup n LEU 79 N -1.99 -0.68 -3.80 6.15 7.99 -1.26 0.38 117.00 123.79 2yup n LEU 79 Ca 0.00 -0.94 -0.23 0.00 -0.01 0.00 0.00 56.01 54.82 2yup n LEU 79 Cb 0.00 -1.19 -0.07 0.00 -0.11 0.00 0.00 43.42 42.05 2yup n LEU 79 CO 0.00 0.25 -0.32 0.54 -1.51 0.00 0.00 177.39 176.35 2yup n ARG 80 N -3.49 -0.94 -0.02 3.23 1.74 -1.26 -4.75 116.66 111.18 2yup n ARG 80 Ca -0.13 0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.00 2yup n ARG 80 Cb 0.45 -2.69 -0.02 0.00 -1.02 0.00 0.00 32.46 29.18 2yup n ARG 80 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2yup n LEU 81 N -3.53 1.15 -4.80 0.55 -0.00 0.16 -5.02 117.00 105.51 2yup n LEU 81 Ca -0.20 -0.01 -0.38 0.00 -0.00 0.00 0.00 56.01 55.42 2yup n LEU 81 Cb 0.48 -0.01 -0.06 0.00 -0.00 0.00 0.00 43.42 43.84 2yup n LEU 81 CO 0.62 0.27 0.22 0.00 -0.00 0.00 0.00 177.39 178.51 2yup s ASP 83 N -0.73 6.84 0.05 0.00 1.01 -1.26 -5.01 116.67 117.56 2yup s ASP 83 Ca 0.28 -2.54 -0.31 0.00 0.71 0.00 0.00 52.55 50.69 2yup s ASP 83 Cb -0.18 -2.36 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 2yup s ASP 83 CO 0.16 -0.84 1.34 -0.62 0.21 0.00 0.00 175.17 175.42 2yup s ASP 84 N 2.99 6.91 0.27 0.27 -1.08 -1.26 -5.02 116.67 119.76 2yup s ASP 84 Ca 0.33 2.15 -0.05 0.00 -0.52 0.00 0.00 52.55 54.46 2yup s ASP 84 Cb -0.05 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.78 2yup s ASP 84 CO -0.07 -0.63 0.53 -0.44 0.52 0.00 0.00 175.17 175.09 2yup s SER 85 N 1.40 6.45 0.00 -0.34 0.01 -1.26 -5.08 113.70 114.88 2yup s SER 85 Ca 0.62 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2yup s SER 85 Cb -0.32 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2yup s SER 85 CO 0.28 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2yup n GLY 86 N -0.85 -0.10 3.57 3.44 0.00 -1.26 -4.85 105.19 105.14 2yup n GLY 86 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 0.46 2.53 -0.02 1.61 0.04 -1.26 -4.89 135.00 133.47 2yup s PRO 87 Ca 0.00 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.31 2yup s PRO 87 Cb 0.00 -5.15 0.02 0.00 0.04 0.00 0.00 34.50 29.41 2yup s PRO 87 CO 0.00 -3.68 0.01 0.45 0.04 0.00 0.00 177.00 173.83 2yup s SER 88 N 7.26 0.14 -1.23 6.66 0.15 -1.26 -4.85 113.70 120.57 2yup s SER 88 Ca 0.69 0.01 -0.06 0.00 0.70 0.00 0.00 55.95 57.29 2yup s SER 88 Cb -0.04 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2yup s SER 88 CO 0.06 -0.08 1.06 -1.20 1.20 0.00 0.00 173.24 174.28 2yup n SER 89 N 3.85 -5.12 0.00 5.45 7.64 -1.26 -5.18 113.62 119.00 2yup n SER 89 Ca -0.23 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.13 2yup n SER 89 Cb 0.53 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64