#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 0.08 1.09 1.61 0.01 -1.26 -5.16 113.70 110.07 2yup s SER 2 Ca 0.00 -0.19 -0.16 0.00 1.31 0.00 0.00 55.95 56.91 2yup s SER 2 Cb 0.00 0.12 0.23 0.00 0.21 0.00 0.00 66.02 66.58 2yup s SER 2 CO 0.00 -0.19 1.11 -0.94 0.41 0.00 0.00 173.24 173.64 2yup s SER 3 N -0.80 1.87 0.26 2.44 1.04 -1.26 -4.65 113.70 112.60 2yup s SER 3 Ca -0.09 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2yup s SER 3 Cb -0.05 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.77 2yup s SER 3 CO -0.00 -3.56 0.00 0.61 0.98 0.00 0.00 173.24 171.27 2yup n GLY 4 N -1.22 -2.52 3.49 7.32 0.00 -1.26 -4.48 105.19 106.52 2yup n GLY 4 Ca 0.09 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 2yup n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yup n SER 5 N -3.32 0.26 -4.60 1.61 3.41 -1.26 -4.86 113.62 104.87 2yup n SER 5 Ca -0.03 -1.30 -0.24 0.00 -0.26 0.00 0.00 58.87 57.05 2yup n SER 5 Cb 0.33 -1.19 -0.08 0.00 -0.26 0.00 0.00 64.21 63.01 2yup n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yup s SER 6 N 5.86 4.21 0.00 4.04 0.01 -1.26 -4.57 113.70 121.99 2yup s SER 6 Ca 0.96 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2yup s SER 6 Cb -0.35 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2yup s SER 6 CO 0.25 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2yup n GLY 7 N -0.87 4.57 3.19 3.44 0.00 -1.26 -5.10 105.19 109.17 2yup n GLY 7 Ca -0.05 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 2yup n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yup n LYS 8 N 0.00 0.04 -1.91 1.61 5.02 -1.26 -4.89 118.16 116.76 2yup n LYS 8 Ca 0.00 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 2yup n LYS 8 Cb 0.00 -1.11 0.03 0.00 -0.02 0.00 0.00 35.03 33.94 2yup n LYS 8 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2yup s PRO 9 N -1.56 2.97 -1.09 1.97 0.04 -1.26 -4.91 135.00 131.16 2yup s PRO 9 Ca 0.52 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.79 2yup s PRO 9 Cb -0.37 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 2yup s PRO 9 CO 0.71 -1.13 1.94 -1.25 0.04 0.00 0.00 177.00 177.31 2yup s PRO 10 N -3.84 2.52 -0.12 0.56 0.04 -1.26 -4.91 135.00 127.98 2yup s PRO 10 Ca 0.69 -0.88 0.03 0.00 0.04 0.00 0.00 61.00 60.88 2yup s PRO 10 Cb -0.22 -5.18 0.01 0.00 0.04 0.00 0.00 34.50 29.15 2yup s PRO 10 CO 0.37 -3.77 -0.22 0.99 0.04 0.00 0.00 177.00 174.41 2yup s THR 11 N 10.67 2.01 -0.74 1.26 2.01 -1.26 -5.05 115.64 124.54 2yup s THR 11 Ca 0.69 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 2yup s THR 11 Cb -0.03 -1.77 -0.13 0.00 0.01 0.00 0.00 72.50 70.59 2yup s THR 11 CO 0.08 0.54 2.42 0.00 -0.69 0.00 0.00 174.62 176.98 2yup n TYR 12 N 3.86 1.19 -1.19 4.92 9.36 -1.26 -4.77 117.16 129.27 2yup n TYR 12 Ca -0.20 0.01 -0.28 0.00 3.32 0.00 0.00 57.90 60.75 2yup n TYR 12 Cb 0.52 -2.59 0.06 0.00 -0.63 0.00 0.00 39.34 36.70 2yup n TYR 12 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2yup n GLN 13 N 8.79 2.33 -3.63 2.98 7.27 -1.26 -4.83 117.38 129.03 2yup n GLN 13 Ca 0.46 -2.58 -0.21 0.00 0.07 0.00 0.00 57.00 54.74 2yup n GLN 13 Cb 0.44 -2.02 0.05 0.00 2.41 0.00 0.00 30.24 31.13 2yup n GLN 13 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2yup n VAL 14 N -0.32 -4.54 -0.02 1.69 0.31 -1.26 -4.90 118.33 109.29 2yup n VAL 14 Ca 0.49 -0.40 -0.02 0.00 -0.01 0.00 0.00 64.34 64.40 2yup n VAL 14 Cb 0.60 -4.07 -0.02 0.00 -0.91 0.00 0.00 33.84 29.43 2yup n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yup n LEU 15 N -4.34 0.79 0.06 7.52 -0.00 -1.26 -4.74 117.00 115.02 2yup n LEU 15 Ca -0.23 -0.01 -0.23 0.00 -0.00 0.00 0.00 56.01 55.55 2yup n LEU 15 Cb 0.65 0.02 -0.15 0.00 -0.00 0.00 0.00 43.42 43.94 2yup n LEU 15 CO 0.67 0.21 -0.47 1.05 -0.00 0.00 0.00 177.39 178.85 2yup h GLU 16 N 0.00 0.36 -5.49 1.47 4.11 -1.91 -3.44 114.58 109.68 2yup h GLU 16 Ca -0.09 -0.61 -0.60 0.00 0.07 0.00 0.00 59.36 58.13 2yup h GLU 16 Cb 1.19 0.23 -0.11 0.00 0.50 0.00 0.00 28.75 30.56 2yup h GLU 16 CO -0.00 1.29 -0.07 0.71 0.07 0.00 0.00 179.01 181.01 2yup s TYR 17 N -2.54 3.36 0.00 2.06 2.02 -1.26 -1.08 117.35 119.90 2yup s TYR 17 Ca -0.17 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 2yup s TYR 17 Cb 0.05 -2.65 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 2yup s TYR 17 CO 0.83 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 175.12 2yup n GLY 18 N 3.96 -2.49 3.05 0.71 0.00 -1.14 -4.86 105.19 104.42 2yup n GLY 18 Ca -0.05 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 2yup n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yup s GLU 19 N -2.97 0.19 0.13 1.61 2.12 -1.00 -3.56 118.70 115.22 2yup s GLU 19 Ca 0.00 0.68 0.08 0.00 0.36 0.00 0.00 54.97 56.09 2yup s GLU 19 Cb 0.00 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 2yup s GLU 19 CO 0.00 -0.23 -0.18 0.00 -0.54 0.00 0.00 175.26 174.31 2yup s ALA 20 N 1.93 1.77 -0.13 6.30 0.00 -1.09 -1.05 121.76 129.49 2yup s ALA 20 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2yup s ALA 20 Cb -0.11 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2yup s ALA 20 CO -0.09 0.25 -0.12 0.08 0.00 0.00 0.00 175.76 175.88 2yup s VAL 21 N -1.68 1.35 -0.03 0.00 1.01 -0.15 -2.88 120.40 118.01 2yup s VAL 21 Ca 0.10 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 2yup s VAL 21 Cb -0.07 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 2yup s VAL 21 CO 0.05 0.42 2.02 0.00 0.00 0.00 0.00 175.10 177.59 2yup n ALA 22 N 4.84 1.56 -0.06 5.51 0.00 -1.20 0.36 120.51 131.52 2yup n ALA 22 Ca -0.15 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 2yup n ALA 22 Cb 0.50 -2.72 -0.13 0.00 0.00 0.00 0.00 19.45 17.10 2yup n ALA 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2yup n GLN 23 N 7.73 0.69 -4.96 0.00 1.13 -1.04 -1.41 117.38 119.52 2yup n GLN 23 Ca 0.23 0.27 -0.28 0.00 -1.94 0.00 0.00 57.00 55.28 2yup n GLN 23 Cb 0.40 -1.64 -0.16 0.00 0.11 0.00 0.00 30.24 28.95 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 -2.52 1.98 0.10 1.08 1.51 -1.01 -4.79 117.35 113.69 2yup s TYR 24 Ca -0.28 -0.65 -0.31 0.00 -1.01 0.00 0.00 57.07 54.82 2yup s TYR 24 Cb 0.08 -1.34 -0.09 0.00 -0.11 0.00 0.00 41.96 40.50 2yup s TYR 24 CO 0.68 -0.24 1.70 0.99 -1.11 0.00 0.00 175.55 177.57 2yup s THR 25 N 0.14 2.83 0.26 -0.71 2.01 -1.26 -4.69 115.64 114.23 2yup s THR 25 Ca -0.08 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.32 2yup s THR 25 Cb -0.14 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 2yup s THR 25 CO 0.04 0.00 0.33 0.12 -0.69 0.00 0.00 174.62 174.42 2yup s PHE 26 N 2.53 3.29 -0.14 4.92 5.36 -1.15 -5.01 117.98 127.77 2yup s PHE 26 Ca 0.76 -0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 2yup s PHE 26 Cb -0.42 -1.60 0.04 0.00 -0.34 0.00 0.00 43.02 40.69 2yup s PHE 26 CO 0.33 0.38 -0.05 0.21 -1.46 0.00 0.00 175.22 174.64 2yup s LYS 27 N -3.97 1.30 0.14 10.12 2.20 -1.26 -4.15 119.74 124.11 2yup s LYS 27 Ca 0.36 -0.35 -0.24 0.00 -0.36 0.00 0.00 55.97 55.37 2yup s LYS 27 Cb -0.09 -1.76 0.07 0.00 -1.51 0.00 0.00 37.83 34.54 2yup s LYS 27 CO 0.28 -0.38 0.68 0.20 -0.36 0.00 0.00 175.35 175.76 2yup s GLY 28 N 1.71 -0.54 0.00 5.54 0.00 -1.26 -4.99 107.32 107.79 2yup s GLY 28 Ca 0.02 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.26 2yup s GLY 28 CO -0.08 0.17 0.00 1.22 0.00 0.00 0.00 173.10 174.41 2yup n ASP 29 N -0.36 1.53 -4.61 1.64 9.92 -1.24 -4.40 116.55 119.02 2yup n ASP 29 Ca -0.14 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.75 2yup n ASP 29 Cb 0.64 0.09 0.06 0.00 -0.64 0.00 0.00 41.12 41.27 2yup n ASP 29 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2yup n LEU 30 N -1.41 3.71 0.00 0.64 4.77 -1.25 -4.82 117.00 118.63 2yup n LEU 30 Ca 0.00 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2yup n LEU 30 Cb 0.17 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 2yup n LEU 30 CO 0.00 -1.92 0.47 -0.62 -1.33 0.00 0.00 177.39 173.99 2yup n GLU 31 N -1.23 0.00 -0.19 3.23 4.71 -1.26 0.18 120.64 126.08 2yup n GLU 31 Ca 0.14 0.93 0.21 0.00 -0.01 0.00 0.00 57.16 58.43 2yup n GLU 31 Cb 0.48 -1.44 0.58 0.00 -1.01 0.00 0.00 31.44 30.05 2yup n GLU 31 CO 0.00 0.00 0.00 -0.39 0.09 0.00 0.00 177.13 176.83 2yup h VAL 32 N 0.00 0.68 -1.71 2.62 -1.51 -1.90 -3.35 116.25 111.07 2yup h VAL 32 Ca 0.00 -0.09 -0.53 0.00 -1.23 0.00 0.00 66.70 64.85 2yup h VAL 32 Cb 0.00 0.38 -0.08 0.00 -2.13 0.00 0.00 31.29 29.46 2yup h VAL 32 CO 0.00 0.05 1.21 -1.61 -1.23 0.00 0.00 177.57 175.99 2yup s GLU 33 N -5.28 3.17 -0.23 5.19 2.02 0.13 -1.60 118.70 122.10 2yup s GLU 33 Ca -0.07 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.40 2yup s GLU 33 Cb 0.22 -4.70 -0.05 0.00 0.10 0.00 0.00 34.13 29.70 2yup s GLU 33 CO 0.77 -2.39 0.15 -1.17 0.02 0.00 0.00 175.26 172.65 2yup s LEU 34 N 6.45 4.15 0.15 1.80 2.96 -1.16 -3.69 118.68 129.35 2yup s LEU 34 Ca 0.47 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.47 2yup s LEU 34 Cb -0.06 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 2yup s LEU 34 CO 0.06 0.10 0.43 -0.44 -1.32 0.00 0.00 176.35 175.17 2yup s SER 35 N 0.84 6.56 -0.07 3.68 0.01 -1.26 -4.79 113.70 118.67 2yup s SER 35 Ca 0.08 0.72 -0.27 0.00 1.31 0.00 0.00 55.95 57.79 2yup s SER 35 Cb -0.13 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 64.02 2yup s SER 35 CO 0.03 0.05 0.60 0.72 0.41 0.00 0.00 173.24 175.05 2yup s PHE 36 N -1.64 -0.57 -0.12 2.43 -0.12 -1.26 -5.03 117.98 111.68 2yup s PHE 36 Ca 0.41 1.04 -0.13 0.00 -0.05 0.00 0.00 56.93 58.20 2yup s PHE 36 Cb -0.12 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2yup s PHE 36 CO 0.22 -0.53 0.29 1.03 -0.05 0.00 0.00 175.22 176.18 2yup s ARG 37 N -1.01 4.02 -0.17 1.99 0.52 -1.26 -2.92 118.95 120.11 2yup s ARG 37 Ca -0.10 0.12 -0.41 0.00 -0.52 0.00 0.00 55.73 54.82 2yup s ARG 37 Cb -0.02 -3.33 -0.18 0.00 0.52 0.00 0.00 34.95 31.94 2yup s ARG 37 CO 0.08 0.45 1.41 1.17 0.02 0.00 0.00 175.30 178.43 2yup n LYS 38 N 2.85 0.50 0.00 3.54 4.81 -1.26 -1.64 118.16 126.95 2yup n LYS 38 Ca -0.14 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2yup n LYS 38 Cb 0.53 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.82 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 2.94 3.02 3.54 3.14 0.00 -0.50 -4.98 105.19 112.35 2yup n GLY 39 Ca 0.24 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 0.73 -3.50 1.61 -0.58 -0.65 -4.69 120.64 113.56 2yup n GLU 40 Ca 0.00 0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 2yup n GLU 40 Cb 0.00 -1.92 -0.09 0.00 -0.57 0.00 0.00 31.44 28.86 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 -1.60 3.27 -0.23 -0.32 3.76 -1.26 -3.23 115.29 115.69 2yup s HIS 41 Ca 0.72 -1.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.40 2yup s HIS 41 Cb -0.44 -2.94 -0.05 0.00 1.11 0.00 0.00 32.58 30.26 2yup s HIS 41 CO 0.51 -0.77 0.25 0.42 -0.85 0.00 0.00 174.74 174.30 2yup s ILE 42 N 1.56 5.30 -0.06 0.60 1.01 -1.14 -4.81 121.20 123.66 2yup s ILE 42 Ca 0.03 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.76 2yup s ILE 42 Cb -0.23 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 2yup s ILE 42 CO 0.05 0.30 0.98 0.00 0.00 0.00 0.00 174.94 176.28 2yup s LEU 44 N 1.54 3.92 0.00 0.00 1.43 -1.23 -3.56 118.68 120.77 2yup s LEU 44 Ca 0.49 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2yup s LEU 44 Cb -0.19 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.53 2yup s LEU 44 CO 0.22 -1.51 0.45 -0.38 0.23 0.00 0.00 176.35 175.37 2yup n ILE 45 N 6.23 0.00 -4.02 -0.59 5.41 -1.07 -2.87 119.36 122.45 2yup n ILE 45 Ca 0.13 0.95 -0.11 0.00 1.00 0.00 0.00 62.75 64.72 2yup n ILE 45 Cb 0.49 -1.95 -0.11 0.00 -0.71 0.00 0.00 39.64 37.36 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 -1.90 0.42 -0.20 0.38 0.52 -1.13 -4.63 118.95 112.42 2yup s ARG 46 Ca 0.00 -0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 54.26 2yup s ARG 46 Cb 0.00 -0.11 -0.00 0.00 0.52 0.00 0.00 34.95 35.36 2yup s ARG 46 CO 0.00 0.00 0.91 0.21 0.02 0.00 0.00 175.30 176.45 2yup s LYS 47 N -1.51 4.27 -0.03 3.54 2.20 -1.26 -1.71 119.74 125.24 2yup s LYS 47 Ca -0.13 1.14 -0.21 0.00 -0.36 0.00 0.00 55.97 56.42 2yup s LYS 47 Cb -0.10 -3.61 -0.31 0.00 -1.51 0.00 0.00 37.83 32.31 2yup s LYS 47 CO -0.00 -0.46 0.94 -0.24 -0.36 0.00 0.00 175.35 175.22 2yup h VAL 48 N 5.31 1.48 -4.48 4.02 3.04 -1.79 -3.47 116.25 120.36 2yup h VAL 48 Ca -0.25 -2.49 -0.30 0.00 -1.01 0.00 0.00 66.70 62.65 2yup h VAL 48 Cb 1.10 3.10 -0.12 0.00 -2.01 0.00 0.00 31.29 33.36 2yup h VAL 48 CO 0.89 0.71 -0.43 0.20 -1.01 0.00 0.00 177.57 177.93 2yup s ASN 49 N -7.01 0.76 0.34 3.17 0.01 -0.38 -4.98 114.94 106.85 2yup s ASN 49 Ca -0.13 -1.47 0.22 0.00 -0.71 0.00 0.00 52.86 50.77 2yup s ASN 49 Cb 0.02 0.52 1.20 0.00 0.41 0.00 0.00 41.25 43.40 2yup s ASN 49 CO 0.84 -1.04 1.67 1.05 -1.51 0.00 0.00 177.10 178.11 2yup h GLU 50 N 2.32 0.00 0.00 -0.60 -0.00 -2.04 -3.29 114.58 110.97 2yup h GLU 50 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 2yup h GLU 50 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 2yup h GLU 50 CO 0.43 0.00 -0.38 0.09 -0.00 0.00 0.00 179.01 179.15 2yup n ASN 51 N -2.29 0.30 -4.77 3.06 5.03 -1.26 -5.08 115.26 110.26 2yup n ASN 51 Ca -0.01 0.11 -0.35 0.00 0.87 0.00 0.00 54.58 55.20 2yup n ASN 51 Cb 0.07 -0.04 0.01 0.00 -1.02 0.00 0.00 39.78 38.79 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 -2.00 2.63 0.40 3.10 0.52 -1.24 -3.65 118.94 118.70 2yup s TRP 52 Ca 0.00 1.54 0.04 0.00 0.02 0.00 0.00 56.10 57.69 2yup s TRP 52 Cb 0.00 -3.33 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 2yup s TRP 52 CO 0.00 -1.69 0.07 0.71 0.02 0.00 0.00 176.95 176.06 2yup s TYR 53 N -1.73 1.94 -0.27 -1.98 2.02 -0.92 -1.25 117.35 115.16 2yup s TYR 53 Ca 0.73 -1.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 2yup s TYR 53 Cb -0.25 -1.35 0.09 0.00 -0.40 0.00 0.00 41.96 40.05 2yup s TYR 53 CO 0.28 -0.02 0.08 -2.00 -1.57 0.00 0.00 175.55 172.32 2yup s GLU 54 N -3.80 0.66 0.00 -0.62 2.12 -0.69 -2.16 118.70 114.21 2yup s GLU 54 Ca 0.26 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.78 2yup s GLU 54 Cb 0.05 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.50 2yup s GLU 54 CO 0.13 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 2yup n GLY 55 N 4.95 7.12 3.42 -1.50 0.00 -0.56 -2.59 105.19 116.05 2yup n GLY 55 Ca -0.05 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 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 1.25 0.98 -0.94 1.61 1.70 -1.23 -2.85 118.95 119.47 2yup s ARG 56 Ca 0.00 -0.01 -0.13 0.00 -0.47 0.00 0.00 55.73 55.13 2yup s ARG 56 Cb 0.00 0.45 0.23 0.00 -0.57 0.00 0.00 34.95 35.07 2yup s ARG 56 CO 0.00 -0.32 0.92 0.42 -1.08 0.00 0.00 175.30 175.24 2yup s ILE 57 N -1.69 5.68 -0.13 4.99 -1.09 -0.02 -3.98 121.20 124.96 2yup s ILE 57 Ca -0.09 -2.75 -0.33 0.00 -2.23 0.00 0.00 60.65 55.24 2yup s ILE 57 Cb -0.01 -4.54 -0.11 0.00 -1.58 0.00 0.00 42.46 36.22 2yup s ILE 57 CO 0.05 -1.12 1.97 1.07 -1.23 0.00 0.00 174.94 175.67 2yup n THR 58 N 3.65 0.51 0.00 2.92 5.66 -1.26 -2.08 114.28 123.68 2yup n THR 58 Ca 0.18 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2yup n THR 58 Cb 0.44 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.27 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 4.87 3.48 0.12 1.09 0.00 -1.26 -4.88 105.19 108.61 2yup n GLY 59 Ca 0.26 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 1.39 0.00 2.61 -2.24 -0.88 -5.04 114.28 110.12 2yup n THR 60 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2yup n THR 60 Cb 0.00 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 2.33 2.75 3.14 3.38 0.00 -0.97 -5.07 105.19 110.75 2yup n GLY 61 Ca -0.43 -0.97 -0.52 0.00 0.00 0.00 0.00 46.02 44.10 2yup n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yup n ARG 62 N 0.00 0.00 -3.70 1.61 1.74 -1.26 -4.63 116.66 110.42 2yup n ARG 62 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2yup n ARG 62 Cb 0.00 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 2yup n ARG 62 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2yup s GLN 63 N -0.11 0.17 0.00 5.56 -0.44 -1.26 -0.84 119.66 122.73 2yup s GLN 63 Ca 0.79 0.62 0.00 0.00 -2.50 0.00 0.00 55.36 54.27 2yup s GLN 63 Cb -1.11 -0.09 0.00 0.00 -1.64 0.00 0.00 33.01 30.17 2yup s GLN 63 CO 0.51 -0.22 0.00 0.41 0.50 0.00 0.00 175.29 176.49 2yup n GLY 64 N 4.77 1.99 3.58 2.59 0.00 -1.13 -4.83 105.19 112.16 2yup n GLY 64 Ca -0.16 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.19 1.81 -0.05 -0.61 -4.36 -0.63 -1.49 121.20 115.68 2yup s ILE 65 Ca 0.00 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 2yup s ILE 65 Cb 0.00 -2.95 0.10 0.00 1.25 0.00 0.00 42.46 40.87 2yup s ILE 65 CO 0.00 -0.00 0.88 0.72 0.24 0.00 0.00 174.94 176.78 2yup s PHE 66 N -2.85 -0.41 0.00 1.37 -0.12 -0.92 -2.97 117.98 112.09 2yup s PHE 66 Ca 0.35 0.48 -0.30 0.00 -0.05 0.00 0.00 56.93 57.41 2yup s PHE 66 Cb 0.10 0.49 -0.06 0.00 -0.63 0.00 0.00 43.02 42.92 2yup s PHE 66 CO 0.17 -0.50 1.44 -1.25 -0.05 0.00 0.00 175.22 175.04 2yup s PRO 67 N -2.22 4.26 0.10 1.99 0.04 -1.26 -2.16 135.00 135.75 2yup s PRO 67 Ca 0.00 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2yup s PRO 67 Cb -0.01 -3.60 -0.12 0.00 0.04 0.00 0.00 34.50 30.81 2yup s PRO 67 CO -0.03 -0.61 1.66 0.00 0.04 0.00 0.00 177.00 178.05 2yup h ALA 68 N 7.99 -0.43 -1.26 8.56 0.00 -1.88 -2.18 119.26 130.05 2yup h ALA 68 Ca -0.38 -0.07 0.43 0.00 0.00 0.00 0.00 54.91 54.89 2yup h ALA 68 Cb 1.18 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 2yup h ALA 68 CO 0.91 -0.77 0.82 0.43 0.00 0.00 0.00 179.25 180.64 2yup n SER 69 N -5.34 0.17 -0.09 0.00 7.64 -1.26 0.24 113.62 114.98 2yup n SER 69 Ca -0.08 1.20 -0.13 0.00 1.01 0.00 0.00 58.87 60.87 2yup n SER 69 Cb 0.25 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.80 -1.37 1.43 -1.99 -1.77 -3.45 116.97 110.61 2yup h TYR 70 Ca 0.78 -0.23 -0.44 0.00 2.00 0.00 0.00 58.73 60.85 2yup h TYR 70 Cb 2.58 -0.17 0.02 0.00 2.00 0.00 0.00 36.73 41.16 2yup h TYR 70 CO -0.00 0.95 -0.21 0.14 -0.00 0.00 0.00 178.16 179.04 2yup s VAL 71 N -4.42 2.79 -0.22 -2.88 -7.23 0.65 -2.41 120.40 106.68 2yup s VAL 71 Ca -0.13 -0.98 -0.07 0.00 -1.81 0.00 0.00 61.98 59.00 2yup s VAL 71 Cb 0.08 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 2yup s VAL 71 CO 0.82 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 174.07 2yup s GLN 72 N -4.45 3.69 -0.18 4.82 2.00 0.16 -4.79 119.66 120.90 2yup s GLN 72 Ca 0.57 -0.47 -0.25 0.00 -2.00 0.00 0.00 55.36 53.20 2yup s GLN 72 Cb -0.09 -3.23 -0.01 0.00 0.80 0.00 0.00 33.01 30.48 2yup s GLN 72 CO 0.35 -0.06 0.83 0.08 -0.50 0.00 0.00 175.29 175.99 2yup s VAL 73 N 1.24 4.87 -0.07 1.34 1.01 -1.26 -0.98 120.40 126.55 2yup s VAL 73 Ca 0.04 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.65 2yup s VAL 73 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2yup s VAL 73 CO 0.03 0.01 -0.06 -0.24 0.00 0.00 0.00 175.10 174.84 2yup n SER 74 N 5.36 3.49 -3.85 3.32 2.88 -0.22 -5.02 113.62 119.59 2yup n SER 74 Ca 0.05 -0.04 -0.22 0.00 -1.33 0.00 0.00 58.87 57.33 2yup n SER 74 Cb 0.49 -0.10 -0.17 0.00 -0.75 0.00 0.00 64.21 63.68 2yup n SER 74 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yup s ARG 75 N -2.13 0.85 0.24 -1.46 0.52 -0.95 -4.87 118.95 111.15 2yup s ARG 75 Ca -0.09 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 2yup s ARG 75 Cb 0.02 -0.99 -0.09 0.00 0.52 0.00 0.00 34.95 34.41 2yup s ARG 75 CO 0.15 -0.18 1.13 -1.21 0.02 0.00 0.00 175.30 175.22 2yup s GLU 76 N 1.39 4.58 0.37 3.54 2.02 -1.26 -2.36 118.70 126.97 2yup s GLU 76 Ca -0.03 1.83 -0.27 0.00 0.02 0.00 0.00 54.97 56.52 2yup s GLU 76 Cb -0.13 -3.21 -0.09 0.00 0.10 0.00 0.00 34.13 30.80 2yup s GLU 76 CO -0.03 0.10 1.20 -1.25 0.02 0.00 0.00 175.26 175.30 2yup s PRO 77 N -1.00 4.18 0.12 0.39 0.04 -1.26 -4.26 135.00 133.22 2yup s PRO 77 Ca 0.47 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.56 2yup s PRO 77 Cb -0.32 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2yup s PRO 77 CO 0.40 -0.24 -0.25 0.50 0.04 0.00 0.00 177.00 177.45 2yup s ARG 78 N -2.08 1.31 -0.47 4.56 6.06 -0.25 -4.95 118.95 123.13 2yup s ARG 78 Ca 0.54 -1.30 -0.04 0.00 -2.50 0.00 0.00 55.73 52.43 2yup s ARG 78 Cb -0.33 -1.72 0.08 0.00 0.06 0.00 0.00 34.95 33.03 2yup s ARG 78 CO 0.43 0.40 2.72 1.28 -2.50 0.00 0.00 175.30 177.63 2yup n LEU 79 N 0.93 6.53 -3.74 -0.88 7.99 -1.26 -4.76 117.00 121.81 2yup n LEU 79 Ca -0.18 -4.10 -0.30 0.00 -0.01 0.00 0.00 56.01 51.42 2yup n LEU 79 Cb 0.53 -1.22 -0.06 0.00 -0.11 0.00 0.00 43.42 42.56 2yup n LEU 79 CO 0.23 1.73 -0.16 -2.11 -1.51 0.00 0.00 177.39 175.57 2yup n ARG 80 N 0.79 -0.82 -0.57 3.23 1.85 -1.26 -4.71 116.66 115.16 2yup n ARG 80 Ca 0.49 0.10 -0.07 0.00 -1.00 0.00 0.00 57.85 57.36 2yup n ARG 80 Cb 0.53 -3.29 0.02 0.00 -1.05 0.00 0.00 32.46 28.68 2yup n ARG 80 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2yup n LEU 81 N -3.19 5.33 -4.35 2.89 4.77 -1.26 -4.93 117.00 116.26 2yup n LEU 81 Ca 0.03 -2.60 -0.54 0.00 -0.03 0.00 0.00 56.01 52.87 2yup n LEU 81 Cb 0.36 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.39 2yup n LEU 81 CO 0.69 0.98 1.80 0.00 -1.33 0.00 0.00 177.39 179.53 2yup s ASP 83 N 6.88 6.96 0.46 0.00 -4.77 -1.26 -5.03 116.67 119.91 2yup s ASP 83 Ca 1.16 1.15 -0.24 0.00 -3.30 0.00 0.00 52.55 51.33 2yup s ASP 83 Cb -1.19 -2.39 -0.09 0.00 -1.09 0.00 0.00 42.92 38.16 2yup s ASP 83 CO 0.57 -0.07 1.15 -0.90 0.70 0.00 0.00 175.17 176.62 2yup n ASP 84 N 3.61 1.88 -3.91 2.11 5.68 -1.26 -2.39 116.55 122.26 2yup n ASP 84 Ca -0.03 1.03 -0.26 0.00 -0.50 0.00 0.00 54.79 55.04 2yup n ASP 84 Cb 0.51 -1.44 -0.00 0.00 -1.14 0.00 0.00 41.12 39.05 2yup n ASP 84 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2yup n SER 85 N 0.08 -1.21 -4.31 -1.12 2.88 -1.26 -4.93 113.62 103.74 2yup n SER 85 Ca 0.09 -0.94 -0.29 0.00 -1.33 0.00 0.00 58.87 56.40 2yup n SER 85 Cb 0.41 -3.36 0.23 0.00 -0.75 0.00 0.00 64.21 60.74 2yup n SER 85 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yup s GLY 86 N -4.17 1.53 0.78 0.46 0.00 -1.01 -5.00 107.32 99.91 2yup s GLY 86 Ca 0.13 -0.46 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 2yup s GLY 86 CO 0.87 0.30 1.09 2.56 0.00 0.00 0.00 173.10 177.92 2yup s PRO 87 N -4.87 2.19 -0.92 2.90 0.04 -1.26 -3.89 135.00 129.20 2yup s PRO 87 Ca 0.68 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 2yup s PRO 87 Cb -0.19 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2yup s PRO 87 CO 0.60 -1.69 0.38 0.45 0.04 0.00 0.00 177.00 176.78 2yup n SER 88 N -3.55 -4.28 -4.88 6.66 2.88 -1.26 -5.01 113.62 104.18 2yup n SER 88 Ca 0.09 -0.18 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 2yup n SER 88 Cb 0.53 -3.14 -0.04 0.00 -0.75 0.00 0.00 64.21 60.81 2yup n SER 88 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yup s SER 89 N -2.85 6.54 0.00 -3.46 1.04 -1.25 -5.22 113.70 108.51 2yup s SER 89 Ca 0.19 0.98 0.19 0.00 0.48 0.00 0.00 55.95 57.79 2yup s SER 89 Cb -0.08 -2.26 0.15 0.00 0.10 0.00 0.00 66.02 63.93 2yup s SER 89 CO 0.23 -0.27 1.10 0.61 0.98 0.00 0.00 173.24 175.89