#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 -0.19 0.51 1.61 1.04 -1.26 -5.16 113.70 110.25 2yup s SER 2 Ca 0.00 0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.89 2yup s SER 2 Cb 0.00 1.39 0.02 0.00 0.10 0.00 0.00 66.02 67.54 2yup s SER 2 CO 0.00 -0.29 0.37 -0.94 0.98 0.00 0.00 173.24 173.36 2yup s SER 3 N 2.63 4.65 0.00 7.02 1.04 -1.26 -5.12 113.70 122.66 2yup s SER 3 Ca 0.15 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2yup s SER 3 Cb -0.15 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2yup s SER 3 CO -0.17 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2yup n GLY 4 N -1.68 1.78 3.70 7.32 0.00 -1.26 -5.12 105.19 109.93 2yup n GLY 4 Ca -0.01 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2yup n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yup s SER 5 N 2.00 6.59 -0.52 1.61 1.04 -1.26 -4.96 113.70 118.20 2yup s SER 5 Ca 0.00 2.53 -0.15 0.00 0.48 0.00 0.00 55.95 58.80 2yup s SER 5 Cb 0.00 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.67 2yup s SER 5 CO 0.00 -0.88 0.47 -0.55 0.98 0.00 0.00 173.24 173.26 2yup s SER 6 N 2.17 6.14 0.00 7.02 0.15 -1.26 -4.91 113.70 123.01 2yup s SER 6 Ca 0.73 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2yup s SER 6 Cb -0.41 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2yup s SER 6 CO 0.32 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2yup n GLY 7 N 5.22 0.32 3.58 9.45 0.00 -1.26 -5.10 105.19 117.40 2yup n GLY 7 Ca -0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.09 0.60 0.52 1.61 0.00 -1.26 -5.17 119.74 114.96 2yup s LYS 8 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 55.97 55.97 2yup s LYS 8 Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 37.83 38.05 2yup s LYS 8 CO 0.00 -0.18 1.14 -1.25 0.00 0.00 0.00 175.35 175.06 2yup s PRO 9 N -0.95 3.47 -0.70 1.78 0.04 -1.26 -4.93 135.00 132.46 2yup s PRO 9 Ca -0.02 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 2yup s PRO 9 Cb -0.01 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2yup s PRO 9 CO 0.01 -0.76 1.89 -1.25 0.04 0.00 0.00 177.00 176.93 2yup s PRO 10 N -3.12 2.60 0.09 0.56 0.04 -1.26 -4.89 135.00 129.03 2yup s PRO 10 Ca 0.70 0.35 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 2yup s PRO 10 Cb -0.25 -4.59 0.08 0.00 0.04 0.00 0.00 34.50 29.78 2yup s PRO 10 CO 0.29 -2.93 0.82 -0.08 0.04 0.00 0.00 177.00 175.14 2yup s THR 11 N 9.39 0.00 -1.31 1.26 -1.32 -1.26 -4.98 115.64 117.42 2yup s THR 11 Ca 0.68 -0.22 -0.05 0.00 -1.21 0.00 0.00 61.69 60.89 2yup s THR 11 Cb -0.11 -1.29 0.01 0.00 -1.51 0.00 0.00 72.50 69.60 2yup s THR 11 CO 0.14 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.65 2yup n TYR 12 N -0.34 -1.12 1.19 9.09 9.36 -1.26 -4.77 117.16 129.30 2yup n TYR 12 Ca -0.10 0.45 0.09 0.00 3.32 0.00 0.00 57.90 61.66 2yup n TYR 12 Cb 0.62 -2.45 0.32 0.00 -0.63 0.00 0.00 39.34 37.20 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 -4.23 1.70 0.23 2.98 -0.06 -1.26 -4.08 117.38 112.65 2yup n GLN 13 Ca -0.26 -1.06 0.10 0.00 -2.00 0.00 0.00 57.00 53.79 2yup n GLN 13 Cb 0.59 -1.35 0.67 0.00 -4.06 0.00 0.00 30.24 26.09 2yup n GLN 13 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2yup h VAL 14 N 2.01 0.92 -2.50 1.69 2.07 -2.04 -3.44 116.25 114.96 2yup h VAL 14 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 2yup h VAL 14 Cb 0.45 0.96 0.23 0.00 -1.52 0.00 0.00 31.29 31.41 2yup h VAL 14 CO 0.00 0.00 -1.35 0.00 0.02 0.00 0.00 177.57 176.24 2yup n LEU 15 N -4.46 -3.02 -0.84 2.57 -0.00 -1.26 -3.17 117.00 106.82 2yup n LEU 15 Ca -0.01 0.19 -0.09 0.00 -0.00 0.00 0.00 56.01 56.10 2yup n LEU 15 Cb 0.16 -0.93 -0.02 0.00 -0.00 0.00 0.00 43.42 42.63 2yup n LEU 15 CO 0.34 -4.42 -0.10 1.21 -0.00 0.00 0.00 177.39 174.42 2yup n GLU 16 N 0.32 -0.66 -4.53 1.47 2.13 -1.26 -5.02 120.64 113.09 2yup n GLU 16 Ca 0.02 0.62 -0.32 0.00 0.66 0.00 0.00 57.16 58.14 2yup n GLU 16 Cb 0.58 -4.55 -0.11 0.00 0.27 0.00 0.00 31.44 27.62 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2yup s TYR 17 N -2.38 2.83 1.18 4.31 1.51 -1.19 -4.79 117.35 118.81 2yup s TYR 17 Ca 0.00 -0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.82 2yup s TYR 17 Cb 0.00 -1.60 0.27 0.00 -0.11 0.00 0.00 41.96 40.53 2yup s TYR 17 CO 0.00 0.34 1.05 0.20 -1.11 0.00 0.00 175.55 176.03 2yup s GLY 18 N -1.32 1.54 -0.00 0.71 0.00 -1.08 -4.90 107.32 102.26 2yup s GLY 18 Ca 0.16 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.33 2yup s GLY 18 CO 0.06 0.22 -0.08 1.85 0.00 0.00 0.00 173.10 175.14 2yup s GLU 19 N -5.00 0.67 -0.03 2.90 2.56 0.91 -3.13 118.70 117.60 2yup s GLU 19 Ca 0.68 -0.33 -0.11 0.00 0.00 0.00 0.00 54.97 55.21 2yup s GLU 19 Cb -0.17 -0.64 0.02 0.00 2.00 0.00 0.00 34.13 35.34 2yup s GLU 19 CO 0.59 0.17 0.25 0.00 -0.56 0.00 0.00 175.26 175.71 2yup s ALA 20 N -0.27 -0.62 -0.09 6.30 0.00 -1.13 -1.38 121.76 124.58 2yup s ALA 20 Ca 0.03 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2yup s ALA 20 Cb -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2yup s ALA 20 CO -0.00 -0.21 -0.18 0.08 0.00 0.00 0.00 175.76 175.45 2yup s VAL 21 N -1.01 1.57 0.20 0.00 1.01 -0.04 -2.55 120.40 119.57 2yup s VAL 21 Ca -0.11 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 2yup s VAL 21 Cb -0.05 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.84 2yup s VAL 21 CO 0.03 0.45 1.49 0.00 0.00 0.00 0.00 175.10 177.07 2yup s ALA 22 N 0.57 3.69 -0.05 5.51 0.00 -0.97 0.72 121.76 131.22 2yup s ALA 22 Ca -0.15 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2yup s ALA 22 Cb -0.17 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.25 2yup s ALA 22 CO 0.05 -0.75 0.10 1.04 0.00 0.00 0.00 175.76 176.21 2yup n GLN 23 N 3.24 1.60 -3.84 0.00 1.13 -0.70 -0.22 117.38 118.58 2yup n GLN 23 Ca 0.10 -0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 55.00 2yup n GLN 23 Cb 0.40 -1.21 -0.15 0.00 0.11 0.00 0.00 30.24 29.39 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 -2.39 0.01 0.09 1.08 1.51 -0.72 -4.83 117.35 112.10 2yup s TYR 24 Ca -0.04 0.04 -0.31 0.00 -1.01 0.00 0.00 57.07 55.75 2yup s TYR 24 Cb 0.04 -0.07 -0.08 0.00 -0.11 0.00 0.00 41.96 41.73 2yup s TYR 24 CO 0.36 -0.03 1.61 0.99 -1.11 0.00 0.00 175.55 177.37 2yup s THR 25 N 0.33 3.01 0.41 -0.71 2.01 -1.26 -4.34 115.64 115.09 2yup s THR 25 Ca -0.03 0.54 0.08 0.00 0.31 0.00 0.00 61.69 62.58 2yup s THR 25 Cb -0.04 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2yup s THR 25 CO -0.01 0.01 0.37 0.12 -0.69 0.00 0.00 174.62 174.42 2yup s PHE 26 N 2.27 2.74 -0.14 4.92 5.36 -0.47 -4.96 117.98 127.70 2yup s PHE 26 Ca 0.72 -0.46 -0.05 0.00 -0.96 0.00 0.00 56.93 56.17 2yup s PHE 26 Cb -0.40 -2.12 0.07 0.00 -0.34 0.00 0.00 43.02 40.23 2yup s PHE 26 CO 0.32 -0.08 0.29 0.21 -1.46 0.00 0.00 175.22 174.49 2yup s LYS 27 N -4.11 0.19 -0.17 10.12 2.20 -1.26 -4.06 119.74 122.65 2yup s LYS 27 Ca 0.47 0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 56.68 2yup s LYS 27 Cb -0.04 0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.34 2yup s LYS 27 CO 0.28 -0.26 0.48 0.20 -0.36 0.00 0.00 175.35 175.68 2yup s GLY 28 N 2.27 -0.36 -0.14 5.54 0.00 -1.26 -4.98 107.32 108.39 2yup s GLY 28 Ca -0.01 1.30 0.08 0.00 0.00 0.00 0.00 44.72 46.09 2yup s GLY 28 CO -0.09 1.10 -0.03 1.34 0.00 0.00 0.00 173.10 175.42 2yup n ASP 29 N 2.67 2.14 -4.76 1.64 2.03 -1.26 -4.50 116.55 114.50 2yup n ASP 29 Ca -0.14 -0.03 -0.39 0.00 0.52 0.00 0.00 54.79 54.75 2yup n ASP 29 Cb 0.57 0.41 0.01 0.00 -0.72 0.00 0.00 41.12 41.39 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 -5.34 4.07 0.18 -2.67 1.43 -1.26 -4.89 118.68 110.20 2yup s LEU 30 Ca -0.12 2.70 -0.19 0.00 -1.03 0.00 0.00 54.13 55.49 2yup s LEU 30 Cb 0.05 -4.05 0.13 0.00 0.03 0.00 0.00 46.19 42.35 2yup s LEU 30 CO 0.48 -1.13 1.61 -0.08 0.23 0.00 0.00 176.35 177.46 2yup h GLU 31 N 2.19 -0.13 0.00 1.70 4.81 -1.94 0.54 114.58 121.75 2yup h GLU 31 Ca -0.50 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2yup h GLU 31 Cb 1.26 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2yup h GLU 31 CO 0.60 -0.09 -0.04 -0.39 -0.73 0.00 0.00 179.01 178.37 2yup h VAL 32 N -0.14 0.42 -2.70 0.32 -1.51 -1.91 -3.38 116.25 107.36 2yup h VAL 32 Ca 0.23 -0.17 -0.66 0.00 -1.23 0.00 0.00 66.70 64.87 2yup h VAL 32 Cb 0.50 1.12 -0.16 0.00 -2.13 0.00 0.00 31.29 30.62 2yup h VAL 32 CO -0.60 0.03 0.46 -1.61 -1.23 0.00 0.00 177.57 174.63 2yup s GLU 33 N -4.38 3.16 0.13 5.19 0.41 0.19 -0.70 118.70 122.70 2yup s GLU 33 Ca -0.04 -1.10 -0.26 0.00 -0.41 0.00 0.00 54.97 53.16 2yup s GLU 33 Cb 0.14 -4.33 -0.07 0.00 -1.78 0.00 0.00 34.13 28.09 2yup s GLU 33 CO 0.53 -1.73 0.79 -1.17 -0.49 0.00 0.00 175.26 173.19 2yup s LEU 34 N 3.47 4.55 0.14 1.80 2.96 -1.04 -4.22 118.68 126.35 2yup s LEU 34 Ca 0.21 1.60 0.04 0.00 -0.22 0.00 0.00 54.13 55.76 2yup s LEU 34 Cb -0.17 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 2yup s LEU 34 CO 0.06 0.14 0.14 -0.44 -1.32 0.00 0.00 176.35 174.93 2yup s SER 35 N -0.76 5.62 -0.16 3.68 0.01 -1.26 -4.58 113.70 116.25 2yup s SER 35 Ca 0.37 -0.06 -0.34 0.00 1.31 0.00 0.00 55.95 57.23 2yup s SER 35 Cb -0.22 -1.51 0.13 0.00 0.21 0.00 0.00 66.02 64.63 2yup s SER 35 CO 0.26 0.09 1.16 0.72 0.41 0.00 0.00 173.24 175.88 2yup s PHE 36 N -1.66 -0.16 0.06 2.43 -0.12 -1.26 -4.99 117.98 112.27 2yup s PHE 36 Ca 0.31 0.11 0.04 0.00 -0.05 0.00 0.00 56.93 57.34 2yup s PHE 36 Cb -0.11 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2yup s PHE 36 CO 0.24 -0.25 -0.03 1.03 -0.05 0.00 0.00 175.22 176.15 2yup s ARG 37 N -2.48 2.51 0.81 1.99 0.52 -1.26 -1.37 118.95 119.67 2yup s ARG 37 Ca 0.08 -0.81 -0.16 0.00 -0.52 0.00 0.00 55.73 54.33 2yup s ARG 37 Cb -0.01 -2.51 -0.06 0.00 0.52 0.00 0.00 34.95 32.89 2yup s ARG 37 CO -0.05 0.56 0.11 1.17 0.02 0.00 0.00 175.30 177.11 2yup n LYS 38 N 0.95 0.05 0.00 3.54 0.00 -1.26 -2.11 118.16 119.33 2yup n LYS 38 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.23 2yup n LYS 38 Cb 0.52 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 34.01 2yup n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yup n GLY 39 N 2.14 1.33 3.08 3.14 0.00 0.69 -4.92 105.19 110.66 2yup n GLY 39 Ca 0.06 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.15 -3.81 1.61 -0.58 -0.90 -4.45 120.64 112.37 2yup n GLU 40 Ca 0.00 -0.04 -0.35 0.00 -0.42 0.00 0.00 57.16 56.35 2yup n GLU 40 Cb 0.00 -1.17 -0.12 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.07 3.58 -0.23 -0.32 3.76 -1.26 -2.30 115.29 116.45 2yup s HIS 41 Ca 0.43 -2.55 -0.17 0.00 -0.15 0.00 0.00 55.06 52.61 2yup s HIS 41 Cb -0.11 -3.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 2yup s HIS 41 CO 0.76 -0.95 0.48 0.42 -0.85 0.00 0.00 174.74 174.60 2yup s ILE 42 N 0.91 5.12 0.48 0.60 1.01 -1.06 -4.83 121.20 123.45 2yup s ILE 42 Ca 0.10 0.84 -0.20 0.00 0.00 0.00 0.00 60.65 61.39 2yup s ILE 42 Cb -0.22 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 2yup s ILE 42 CO -0.04 0.16 1.04 0.00 0.00 0.00 0.00 174.94 176.10 2yup s LEU 44 N -3.47 5.81 -0.07 0.00 1.43 -1.18 -3.62 118.68 117.58 2yup s LEU 44 Ca 0.67 -2.31 -0.04 0.00 -1.03 0.00 0.00 54.13 51.42 2yup s LEU 44 Cb -0.17 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2yup s LEU 44 CO 0.20 -0.59 0.18 0.40 0.23 0.00 0.00 176.35 176.77 2yup h ILE 45 N 5.64 0.00 -3.41 -0.59 2.04 -1.88 -2.86 117.51 116.45 2yup h ILE 45 Ca -0.10 -0.78 -0.42 0.00 1.00 0.00 0.00 64.86 64.56 2yup h ILE 45 Cb 1.04 0.00 -0.35 0.00 -0.74 0.00 0.00 36.82 36.77 2yup h ILE 45 CO 0.80 0.00 -0.77 -0.60 0.00 0.00 0.00 178.15 177.58 2yup s ARG 46 N -1.99 0.80 -0.70 2.37 6.06 -1.25 -4.89 118.95 119.35 2yup s ARG 46 Ca -0.02 -0.07 -0.26 0.00 -2.50 0.00 0.00 55.73 52.89 2yup s ARG 46 Cb 0.00 -0.88 0.04 0.00 0.06 0.00 0.00 34.95 34.17 2yup s ARG 46 CO 0.06 -0.13 1.17 0.21 -2.50 0.00 0.00 175.30 174.11 2yup s LYS 47 N 1.15 3.18 0.06 5.12 2.20 -1.26 -3.17 119.74 127.01 2yup s LYS 47 Ca -0.07 -0.41 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 2yup s LYS 47 Cb -0.14 -4.18 -0.17 0.00 -1.51 0.00 0.00 37.83 31.83 2yup s LYS 47 CO -0.01 -2.00 1.60 0.28 -0.36 0.00 0.00 175.35 174.85 2yup h VAL 48 N 6.02 1.05 -3.01 4.02 2.07 -1.90 -3.47 116.25 121.02 2yup h VAL 48 Ca -0.28 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2yup h VAL 48 Cb 1.06 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 32.00 2yup h VAL 48 CO 1.24 0.08 0.22 0.20 0.02 0.00 0.00 177.57 179.32 2yup s ASN 49 N -5.27 -0.41 0.29 0.57 0.01 0.98 -4.94 114.94 106.17 2yup s ASN 49 Ca -0.14 -0.31 0.22 0.00 -0.71 0.00 0.00 52.86 51.92 2yup s ASN 49 Cb 0.05 0.66 1.09 0.00 0.41 0.00 0.00 41.25 43.46 2yup s ASN 49 CO 0.66 -1.16 1.66 -1.84 -1.51 0.00 0.00 177.10 174.91 2yup n GLU 50 N -0.42 0.15 -0.01 -0.60 0.00 -1.26 -1.80 120.64 116.71 2yup n GLU 50 Ca -0.10 0.57 0.04 0.00 0.00 0.00 0.00 57.16 57.66 2yup n GLU 50 Cb 0.62 -1.92 -0.07 0.00 0.00 0.00 0.00 31.44 30.06 2yup n GLU 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2yup n ASN 51 N -2.23 2.80 -4.10 -1.84 4.13 -1.26 -4.82 115.26 107.94 2yup n ASN 51 Ca -0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 2yup n ASN 51 Cb 0.09 1.35 -0.16 0.00 -1.54 0.00 0.00 39.78 39.52 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2yup s TRP 52 N -2.61 2.55 -0.05 3.10 0.52 -0.74 -1.79 118.94 119.92 2yup s TRP 52 Ca -0.04 -1.43 0.05 0.00 0.02 0.00 0.00 56.10 54.70 2yup s TRP 52 Cb 0.06 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 2yup s TRP 52 CO 0.40 -0.71 -0.19 0.71 0.02 0.00 0.00 176.95 177.17 2yup s TYR 53 N 1.22 2.57 -0.13 -1.98 2.02 0.10 -0.01 117.35 121.14 2yup s TYR 53 Ca 0.02 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2yup s TYR 53 Cb -0.14 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 2yup s TYR 53 CO -0.09 0.04 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.91 2yup s GLU 54 N -0.54 3.43 0.00 -0.62 2.12 -1.19 -0.24 118.70 121.65 2yup s GLU 54 Ca 0.07 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2yup s GLU 54 Cb -0.11 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.39 2yup s GLU 54 CO 0.01 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2yup n GLY 55 N 2.99 2.81 3.37 -1.50 0.00 -0.93 -3.12 105.19 108.80 2yup n GLY 55 Ca -0.18 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.32 1.22 -0.66 1.61 1.70 -1.24 -2.46 118.95 117.81 2yup s ARG 56 Ca 0.00 -1.22 -0.00 0.00 -0.47 0.00 0.00 55.73 54.04 2yup s ARG 56 Cb 0.00 0.38 0.17 0.00 -0.57 0.00 0.00 34.95 34.93 2yup s ARG 56 CO 0.00 -0.46 0.47 0.42 -1.08 0.00 0.00 175.30 174.65 2yup s ILE 57 N -3.99 3.51 0.17 4.99 -1.09 -0.97 -3.62 121.20 120.20 2yup s ILE 57 Ca 0.20 -3.34 -0.20 0.00 -2.23 0.00 0.00 60.65 55.08 2yup s ILE 57 Cb 0.03 -3.29 -0.12 0.00 -1.58 0.00 0.00 42.46 37.50 2yup s ILE 57 CO 0.02 -0.91 0.32 1.07 -1.23 0.00 0.00 174.94 174.21 2yup n THR 58 N 3.04 1.29 0.00 2.92 5.66 -1.26 -0.52 114.28 125.41 2yup n THR 58 Ca 0.11 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2yup n THR 58 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 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 1.51 2.71 3.43 1.09 0.00 -1.26 -4.98 105.19 107.69 2yup n GLY 59 Ca 0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.39 2.37 -0.23 2.61 -4.23 0.33 -5.02 115.64 110.08 2yup s THR 60 Ca 0.00 -2.05 0.28 0.00 -1.18 0.00 0.00 61.69 58.74 2yup s THR 60 Cb 0.00 -2.14 0.30 0.00 1.34 0.00 0.00 72.50 72.00 2yup s THR 60 CO 0.00 -0.13 1.83 1.23 -0.54 0.00 0.00 174.62 177.01 2yup h GLY 61 N 3.15 0.00 -5.73 3.99 0.00 -1.94 -3.40 103.07 99.14 2yup h GLY 61 Ca -0.46 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.14 2yup h GLY 61 CO 0.49 0.00 0.30 0.54 0.00 0.00 0.00 176.54 177.87 2yup n ARG 62 N -2.57 0.64 -3.44 4.80 3.00 -1.26 -4.90 116.66 112.93 2yup n ARG 62 Ca 0.01 0.23 0.01 0.00 -0.01 0.00 0.00 57.85 58.09 2yup n ARG 62 Cb 0.24 -1.81 -0.04 0.00 0.00 0.00 0.00 32.46 30.85 2yup n ARG 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2yup s GLN 63 N 0.40 0.31 -0.00 5.56 0.74 -1.26 -2.30 119.66 123.10 2yup s GLN 63 Ca 0.88 0.75 -0.05 0.00 0.05 0.00 0.00 55.36 56.99 2yup s GLN 63 Cb -1.10 0.41 0.02 0.00 1.10 0.00 0.00 33.01 33.44 2yup s GLN 63 CO 0.52 -0.10 0.22 0.41 -0.55 0.00 0.00 175.29 175.79 2yup n GLY 64 N 4.82 0.55 3.91 2.59 0.00 -1.03 -4.80 105.19 111.24 2yup n GLY 64 Ca -0.10 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.12 5.02 0.09 -0.61 -4.36 0.13 -2.20 121.20 117.15 2yup s ILE 65 Ca 0.05 -0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.26 2yup s ILE 65 Cb -0.00 -3.76 0.04 0.00 1.25 0.00 0.00 42.46 39.98 2yup s ILE 65 CO -0.00 -0.41 0.43 0.72 0.24 0.00 0.00 174.94 175.92 2yup s PHE 66 N -2.18 -0.27 0.21 1.37 -0.12 0.67 -2.49 117.98 115.16 2yup s PHE 66 Ca 0.44 0.10 -0.30 0.00 -0.05 0.00 0.00 56.93 57.12 2yup s PHE 66 Cb -0.10 0.27 -0.09 0.00 -0.63 0.00 0.00 43.02 42.47 2yup s PHE 66 CO 0.32 -0.66 1.30 -1.25 -0.05 0.00 0.00 175.22 174.88 2yup s PRO 67 N -3.19 4.40 0.05 1.99 0.04 -1.26 -0.72 135.00 136.31 2yup s PRO 67 Ca -0.01 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 2yup s PRO 67 Cb 0.01 -3.19 -0.17 0.00 0.04 0.00 0.00 34.50 31.19 2yup s PRO 67 CO -0.08 -0.22 1.55 0.00 0.04 0.00 0.00 177.00 178.29 2yup h ALA 68 N 5.16 -0.22 -0.82 8.56 0.00 -1.67 -2.50 119.26 127.78 2yup h ALA 68 Ca -0.45 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 54.59 2yup h ALA 68 Cb 1.22 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2yup h ALA 68 CO 0.76 -0.55 1.10 1.03 0.00 0.00 0.00 179.25 181.59 2yup h SER 69 N -0.37 0.00 0.30 0.00 0.87 -1.92 1.68 113.55 114.11 2yup h SER 69 Ca -0.02 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.20 2yup h SER 69 Cb 0.29 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2yup h SER 69 CO 0.04 0.00 -1.59 1.88 -0.53 0.00 0.00 176.83 176.63 2yup h TYR 70 N 0.00 0.74 -1.32 2.24 -1.99 -1.82 -3.47 116.97 111.36 2yup h TYR 70 Ca 0.39 -0.54 -0.47 0.00 2.00 0.00 0.00 58.73 60.11 2yup h TYR 70 Cb 2.57 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 41.27 2yup h TYR 70 CO 0.00 1.56 -0.29 0.14 -0.00 0.00 0.00 178.16 179.57 2yup s VAL 71 N -2.60 2.65 -0.17 -2.88 -7.23 0.57 -1.73 120.40 109.02 2yup s VAL 71 Ca -0.11 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2yup s VAL 71 Cb 0.05 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.18 2yup s VAL 71 CO 0.89 0.00 -0.17 -1.58 -0.31 0.00 0.00 175.10 173.93 2yup s GLN 72 N -4.30 3.12 -0.25 4.82 0.74 0.22 -4.78 119.66 119.22 2yup s GLN 72 Ca 0.52 -0.78 -0.28 0.00 0.05 0.00 0.00 55.36 54.86 2yup s GLN 72 Cb -0.06 -2.61 0.01 0.00 1.10 0.00 0.00 33.01 31.44 2yup s GLN 72 CO 0.31 -0.10 1.00 0.08 -0.55 0.00 0.00 175.29 176.04 2yup s VAL 73 N 1.06 4.67 -0.13 1.34 1.01 -1.26 -0.86 120.40 126.23 2yup s VAL 73 Ca -0.01 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 2yup s VAL 73 Cb -0.14 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 2yup s VAL 73 CO -0.05 -0.23 -0.14 -1.20 0.00 0.00 0.00 175.10 173.48 2yup n SER 74 N 6.38 2.23 -3.63 3.32 7.64 -0.67 -4.92 113.62 123.96 2yup n SER 74 Ca 0.11 0.02 -0.29 0.00 1.01 0.00 0.00 58.87 59.71 2yup n SER 74 Cb 0.47 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.26 0.82 0.50 1.43 6.06 -0.48 -4.91 118.95 120.11 2yup s ARG 75 Ca -0.18 -1.41 -0.24 0.00 -2.50 0.00 0.00 55.73 51.40 2yup s ARG 75 Cb 0.06 -1.84 -0.07 0.00 0.06 0.00 0.00 34.95 33.16 2yup s ARG 75 CO 0.28 -1.11 1.41 0.39 -2.50 0.00 0.00 175.30 173.77 2yup n GLU 76 N 4.22 2.03 0.00 5.12 1.02 -1.26 -0.06 120.64 131.71 2yup n GLU 76 Ca 0.05 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2yup n GLU 76 Cb 0.38 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 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 -0.57 -0.28 0.00 3.49 -0.04 -1.26 -4.67 135.00 131.67 2yup n PRO 77 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2yup n PRO 77 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.95 0.00 -3.44 0.54 0.63 -1.26 -4.87 116.66 107.31 2yup n ARG 78 Ca 0.00 0.22 -0.26 0.00 -0.92 0.00 0.00 57.85 56.90 2yup n ARG 78 Cb 0.00 -0.68 -0.05 0.00 0.45 0.00 0.00 32.46 32.18 2yup n ARG 78 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2yup n LEU 79 N -1.49 -0.50 0.25 6.15 7.99 -1.26 -4.71 117.00 123.44 2yup n LEU 79 Ca 0.00 -0.67 0.12 0.00 -0.01 0.00 0.00 56.01 55.45 2yup n LEU 79 Cb 0.00 -1.12 0.62 0.00 -0.11 0.00 0.00 43.42 42.82 2yup n LEU 79 CO 0.00 0.06 0.91 0.03 -1.51 0.00 0.00 177.39 176.88 2yup h ARG 80 N -0.52 0.00 -1.03 3.23 2.47 -2.03 -2.89 114.38 113.61 2yup h ARG 80 Ca -0.36 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.74 2yup h ARG 80 Cb 0.99 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.94 2yup h ARG 80 CO 0.54 0.16 -0.07 1.47 0.56 0.00 0.00 179.97 182.62 2yup n LEU 81 N -3.48 6.07 -4.75 3.04 -0.00 -1.26 -5.03 117.00 111.60 2yup n LEU 81 Ca -0.01 -4.65 -0.40 0.00 -0.00 0.00 0.00 56.01 50.95 2yup n LEU 81 Cb 0.32 -0.63 -0.06 0.00 -0.00 0.00 0.00 43.42 43.05 2yup n LEU 81 CO 0.31 1.88 0.66 0.00 -0.00 0.00 0.00 177.39 180.24 2yup h ASP 83 N 4.42 0.25 -1.32 0.00 3.58 -1.95 -3.42 116.42 117.97 2yup h ASP 83 Ca -0.45 -0.82 -0.74 0.00 0.42 0.00 0.00 57.03 55.44 2yup h ASP 83 Cb 1.20 -0.08 0.05 0.00 1.72 0.00 0.00 39.33 42.22 2yup h ASP 83 CO 0.69 1.04 0.30 -0.90 -2.88 0.00 0.00 179.24 177.48 2yup n ASP 84 N -4.45 0.87 -3.68 2.28 5.68 -1.26 -0.32 116.55 115.67 2yup n ASP 84 Ca -0.10 1.14 -0.24 0.00 -0.50 0.00 0.00 54.79 55.09 2yup n ASP 84 Cb 0.55 -1.05 0.06 0.00 -1.14 0.00 0.00 41.12 39.54 2yup n ASP 84 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2yup n SER 85 N 2.23 -4.11 -4.75 -1.12 7.64 -1.26 -4.95 113.62 107.29 2yup n SER 85 Ca 0.20 -0.68 -0.31 0.00 1.01 0.00 0.00 58.87 59.09 2yup n SER 85 Cb 0.12 -4.52 0.10 0.00 -1.01 0.00 0.00 64.21 58.90 2yup n SER 85 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yup s GLY 86 N -3.71 1.73 0.89 0.23 0.00 0.56 -5.02 107.32 102.00 2yup s GLY 86 Ca 0.39 0.35 -0.11 0.00 0.00 0.00 0.00 44.72 45.35 2yup s GLY 86 CO 0.78 0.71 1.09 2.56 0.00 0.00 0.00 173.10 178.24 2yup s PRO 87 N -4.78 1.33 -0.11 2.90 0.04 -1.26 -5.06 135.00 128.06 2yup s PRO 87 Ca 0.63 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 2yup s PRO 87 Cb -0.18 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2yup s PRO 87 CO 0.55 -2.20 -0.08 -1.54 0.04 0.00 0.00 177.00 173.78 2yup s SER 88 N -3.42 2.12 -0.49 6.66 1.04 -1.26 -5.08 113.70 113.27 2yup s SER 88 Ca 0.63 -0.29 -0.45 0.00 0.48 0.00 0.00 55.95 56.32 2yup s SER 88 Cb -0.18 -0.82 -0.19 0.00 0.10 0.00 0.00 66.02 64.92 2yup s SER 88 CO 0.57 -0.11 1.84 -1.54 0.98 0.00 0.00 173.24 174.98 2yup n SER 89 N 4.87 1.06 0.00 7.02 3.41 -1.26 -5.36 113.62 123.36 2yup n SER 89 Ca -0.13 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 2yup n SER 89 Cb 0.50 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49