#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 0.83 -0.19 1.61 0.01 -1.26 -5.13 113.70 109.58 2yup s SER 2 Ca 0.00 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 2yup s SER 2 Cb 0.00 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.26 2yup s SER 2 CO 0.00 -0.03 0.12 -0.55 0.41 0.00 0.00 173.24 173.19 2yup s SER 3 N -0.73 2.25 -0.13 2.44 0.15 -1.26 -5.14 113.70 111.28 2yup s SER 3 Ca -0.02 -0.59 -0.10 0.00 0.70 0.00 0.00 55.95 55.93 2yup s SER 3 Cb -0.05 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.09 2yup s SER 3 CO 0.00 -0.35 0.21 -0.83 1.20 0.00 0.00 173.24 173.47 2yup s GLY 4 N 2.17 2.19 0.98 9.45 0.00 -1.26 -5.08 107.32 115.77 2yup s GLY 4 Ca 0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 2yup s GLY 4 CO -0.12 0.01 1.08 -0.45 0.00 0.00 0.00 173.10 173.62 2yup s SER 5 N -0.36 2.59 -0.19 1.64 0.15 -1.26 -5.07 113.70 111.21 2yup s SER 5 Ca 0.15 1.63 -0.28 0.00 0.70 0.00 0.00 55.95 58.15 2yup s SER 5 Cb -0.13 -2.28 0.09 0.00 -1.71 0.00 0.00 66.02 62.00 2yup s SER 5 CO 0.04 -3.21 0.84 -0.94 1.20 0.00 0.00 173.24 171.16 2yup s SER 6 N -3.00 -0.58 -0.16 5.45 1.04 -1.26 -5.15 113.70 110.04 2yup s SER 6 Ca 0.66 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.98 2yup s SER 6 Cb -0.21 0.83 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2yup s SER 6 CO 0.59 -0.35 -0.14 -0.83 0.98 0.00 0.00 173.24 173.50 2yup s GLY 7 N -0.41 1.17 0.38 7.32 0.00 -1.26 -5.12 107.32 109.40 2yup s GLY 7 Ca -0.03 -0.98 -0.18 0.00 0.00 0.00 0.00 44.72 43.54 2yup s GLY 7 CO 0.02 0.54 0.84 0.54 0.00 0.00 0.00 173.10 175.04 2yup s LYS 8 N 1.46 4.10 1.01 2.90 3.01 -1.26 -5.07 119.74 125.89 2yup s LYS 8 Ca 0.04 0.88 -0.12 0.00 -1.01 0.00 0.00 55.97 55.76 2yup s LYS 8 Cb -0.13 -2.30 0.19 0.00 -1.01 0.00 0.00 37.83 34.57 2yup s LYS 8 CO -0.10 0.05 1.09 -1.25 0.51 0.00 0.00 175.35 175.65 2yup s PRO 9 N -3.12 0.35 0.53 -1.68 0.04 -1.26 -4.94 135.00 124.92 2yup s PRO 9 Ca 0.58 0.48 0.33 0.00 0.04 0.00 0.00 61.00 62.44 2yup s PRO 9 Cb -0.10 -1.73 1.38 0.00 0.04 0.00 0.00 34.50 34.09 2yup s PRO 9 CO 0.16 -2.78 1.98 -1.00 0.04 0.00 0.00 177.00 175.40 2yup h PRO 10 N -1.92 0.00 -4.55 0.56 0.13 -2.07 -3.42 132.00 120.72 2yup h PRO 10 Ca -0.55 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.05 2yup h PRO 10 Cb 1.33 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.12 2yup h PRO 10 CO 0.58 0.00 -0.82 -0.08 -0.23 0.00 0.00 178.00 177.45 2yup s THR 11 N -3.66 1.22 -0.45 1.56 -1.32 -1.26 -5.07 115.64 106.66 2yup s THR 11 Ca 0.01 -0.49 -0.41 0.00 -1.21 0.00 0.00 61.69 59.59 2yup s THR 11 Cb 0.09 -1.13 -0.17 0.00 -1.51 0.00 0.00 72.50 69.78 2yup s THR 11 CO 0.52 0.38 1.81 0.00 -2.21 0.00 0.00 174.62 175.13 2yup n TYR 12 N 4.08 1.19 -1.46 9.09 4.11 -1.26 -4.67 117.16 128.24 2yup n TYR 12 Ca -0.20 0.79 -0.49 0.00 -0.00 0.00 0.00 57.90 58.00 2yup n TYR 12 Cb 0.51 -2.06 -0.07 0.00 -0.00 0.00 0.00 39.34 37.72 2yup n TYR 12 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80 2yup n GLN 13 N 5.98 1.14 -1.02 -3.48 7.27 -1.26 -4.80 117.38 121.20 2yup n GLN 13 Ca 0.44 0.30 -0.36 0.00 0.07 0.00 0.00 57.00 57.45 2yup n GLN 13 Cb -0.04 -2.56 -0.03 0.00 2.41 0.00 0.00 30.24 30.02 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 7.30 1.25 -0.05 1.69 0.31 -1.26 -4.92 118.33 122.65 2yup n VAL 14 Ca 0.41 -0.31 -0.06 0.00 -0.01 0.00 0.00 64.34 64.36 2yup n VAL 14 Cb 0.26 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.17 2yup n VAL 14 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2yup n LEU 15 N 1.40 1.55 -0.08 7.52 7.99 -1.26 -4.94 117.00 129.18 2yup n LEU 15 Ca 0.13 0.25 -0.08 0.00 -0.01 0.00 0.00 56.01 56.31 2yup n LEU 15 Cb 0.16 -0.61 -0.03 0.00 -0.11 0.00 0.00 43.42 42.84 2yup n LEU 15 CO 0.41 -0.41 -0.58 -0.62 -1.51 0.00 0.00 177.39 174.68 2yup n GLU 16 N -4.03 0.45 -1.04 3.23 1.02 -1.26 -4.64 120.64 114.37 2yup n GLU 16 Ca -0.09 0.18 -0.37 0.00 -0.02 0.00 0.00 57.16 56.86 2yup n GLU 16 Cb 0.34 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2yup n GLU 16 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2yup n TYR 17 N -4.17 -0.23 -3.13 -0.32 4.01 -1.26 -2.45 117.16 109.60 2yup n TYR 17 Ca -0.12 0.72 -0.24 0.00 -0.16 0.00 0.00 57.90 58.10 2yup n TYR 17 Cb 0.44 -1.46 -0.00 0.00 -0.31 0.00 0.00 39.34 38.01 2yup n TYR 17 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2yup s GLY 18 N -0.62 1.43 -0.07 2.72 0.00 -0.97 -4.75 107.32 105.06 2yup s GLY 18 Ca 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2yup s GLY 18 CO 0.41 -0.76 -0.07 1.85 0.00 0.00 0.00 173.10 174.54 2yup s GLU 19 N -4.47 2.82 0.05 2.90 2.12 0.79 -2.28 118.70 120.63 2yup s GLU 19 Ca 0.44 -0.55 -0.21 0.00 0.36 0.00 0.00 54.97 55.01 2yup s GLU 19 Cb -0.10 -2.61 0.05 0.00 0.26 0.00 0.00 34.13 31.73 2yup s GLU 19 CO 0.38 0.63 0.49 0.00 -0.54 0.00 0.00 175.26 176.22 2yup s ALA 20 N -0.71 -1.23 -0.03 6.30 0.00 -1.23 -0.96 121.76 123.90 2yup s ALA 20 Ca 0.11 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.60 2yup s ALA 20 Cb -0.11 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.39 2yup s ALA 20 CO 0.02 -0.49 -0.08 0.08 0.00 0.00 0.00 175.76 175.29 2yup s VAL 21 N -2.47 0.70 0.04 0.00 1.01 0.24 -3.30 120.40 116.62 2yup s VAL 21 Ca -0.05 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2yup s VAL 21 Cb -0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.65 2yup s VAL 21 CO -0.02 0.23 1.74 0.00 0.00 0.00 0.00 175.10 177.06 2yup s ALA 22 N 0.38 3.66 -0.21 5.51 0.00 -1.10 -0.20 121.76 129.80 2yup s ALA 22 Ca -0.06 1.21 0.06 0.00 0.00 0.00 0.00 51.96 53.17 2yup s ALA 22 Cb -0.10 -3.75 -0.17 0.00 0.00 0.00 0.00 23.12 19.10 2yup s ALA 22 CO 0.01 -1.28 -0.11 1.04 0.00 0.00 0.00 175.76 175.41 2yup n GLN 23 N 6.36 0.75 -4.44 0.00 1.13 -0.60 -1.73 117.38 118.85 2yup n GLN 23 Ca 0.17 0.08 -0.22 0.00 -1.94 0.00 0.00 57.00 55.10 2yup n GLN 23 Cb 0.41 -1.45 -0.16 0.00 0.11 0.00 0.00 30.24 29.14 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 -2.44 1.12 0.31 1.08 1.51 0.06 -4.76 117.35 114.22 2yup s TYR 24 Ca -0.23 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.19 2yup s TYR 24 Cb 0.07 -0.83 -0.12 0.00 -0.11 0.00 0.00 41.96 40.97 2yup s TYR 24 CO 0.59 -0.18 1.49 2.41 -1.11 0.00 0.00 175.55 178.75 2yup n THR 25 N 3.61 1.37 -4.49 -0.71 -1.04 -1.26 -4.70 114.28 107.06 2yup n THR 25 Ca -0.21 -0.34 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 2yup n THR 25 Cb 0.53 -1.81 -0.10 0.00 -1.82 0.00 0.00 70.33 67.12 2yup n THR 25 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2yup s PHE 26 N -0.43 2.23 -0.19 -1.42 5.36 -0.91 -5.01 117.98 117.61 2yup s PHE 26 Ca 0.61 -0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 56.03 2yup s PHE 26 Cb -0.53 -1.19 0.06 0.00 -0.34 0.00 0.00 43.02 41.02 2yup s PHE 26 CO 0.54 0.53 0.06 0.21 -1.46 0.00 0.00 175.22 175.11 2yup s LYS 27 N -3.62 0.40 -0.29 10.12 2.20 -1.26 -3.81 119.74 123.48 2yup s LYS 27 Ca 0.31 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.62 2yup s LYS 27 Cb 0.01 -1.96 0.08 0.00 -1.51 0.00 0.00 37.83 34.46 2yup s LYS 27 CO 0.14 -0.68 0.01 0.20 -0.36 0.00 0.00 175.35 174.66 2yup s GLY 28 N 1.97 1.55 0.27 5.54 0.00 -1.26 -4.96 107.32 110.43 2yup s GLY 28 Ca 0.01 -1.94 0.13 0.00 0.00 0.00 0.00 44.72 42.92 2yup s GLY 28 CO -0.10 1.03 1.53 -1.80 0.00 0.00 0.00 173.10 173.76 2yup h ASP 29 N 7.82 0.00 -4.52 1.64 1.82 -1.97 -3.41 116.42 117.79 2yup h ASP 29 Ca -0.12 0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.05 2yup h ASP 29 Cb 1.04 0.00 0.09 0.00 0.68 0.00 0.00 39.33 41.14 2yup h ASP 29 CO 0.47 0.60 0.40 -0.76 -1.61 0.00 0.00 179.24 178.34 2yup s LEU 30 N -6.91 2.61 0.00 2.28 1.43 -1.26 -5.00 118.68 111.83 2yup s LEU 30 Ca 0.01 0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 53.69 2yup s LEU 30 Cb 0.10 -3.39 -0.16 0.00 0.03 0.00 0.00 46.19 42.77 2yup s LEU 30 CO 0.75 -1.77 1.18 -0.08 0.23 0.00 0.00 176.35 176.66 2yup h GLU 31 N -0.94 -0.41 -0.30 1.70 4.81 -1.97 -3.08 114.58 114.39 2yup h GLU 31 Ca -0.46 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.88 2yup h GLU 31 Cb 1.31 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 2yup h GLU 31 CO 0.65 -0.09 0.21 -0.39 -0.73 0.00 0.00 179.01 178.67 2yup h VAL 32 N -0.80 0.88 -3.15 0.32 -1.51 -1.93 -3.38 116.25 106.68 2yup h VAL 32 Ca -0.04 -0.02 -0.61 0.00 -1.23 0.00 0.00 66.70 64.80 2yup h VAL 32 Cb 0.51 0.82 -0.12 0.00 -2.13 0.00 0.00 31.29 30.37 2yup h VAL 32 CO 0.07 0.01 0.57 -1.61 -1.23 0.00 0.00 177.57 175.38 2yup s GLU 33 N -5.09 3.31 -0.03 5.19 2.02 -1.16 0.04 118.70 122.98 2yup s GLU 33 Ca -0.05 -0.31 -0.13 0.00 0.02 0.00 0.00 54.97 54.49 2yup s GLU 33 Cb 0.18 -4.07 -0.05 0.00 0.10 0.00 0.00 34.13 30.29 2yup s GLU 33 CO 0.71 -1.52 0.36 -1.17 0.02 0.00 0.00 175.26 173.66 2yup s LEU 34 N 3.97 4.45 0.23 1.80 2.96 -0.99 -4.28 118.68 126.82 2yup s LEU 34 Ca 0.30 0.87 0.05 0.00 -0.22 0.00 0.00 54.13 55.12 2yup s LEU 34 Cb -0.13 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 2yup s LEU 34 CO 0.18 0.33 0.31 -0.55 -1.32 0.00 0.00 176.35 175.30 2yup s SER 35 N -1.02 6.13 -0.29 3.68 0.15 -1.26 -4.48 113.70 116.61 2yup s SER 35 Ca 0.22 0.01 -0.25 0.00 0.70 0.00 0.00 55.95 56.63 2yup s SER 35 Cb -0.16 -1.76 0.17 0.00 -1.71 0.00 0.00 66.02 62.56 2yup s SER 35 CO 0.11 -0.04 1.30 0.72 1.20 0.00 0.00 173.24 176.54 2yup s PHE 36 N -1.97 -0.20 0.35 3.44 -0.12 -1.25 -4.99 117.98 113.24 2yup s PHE 36 Ca 0.34 0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 57.66 2yup s PHE 36 Cb -0.09 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 2yup s PHE 36 CO 0.28 -0.10 0.60 1.03 -0.05 0.00 0.00 175.22 176.99 2yup s ARG 37 N 0.12 3.57 0.13 1.99 0.52 -1.26 -2.14 118.95 121.88 2yup s ARG 37 Ca 0.06 -0.05 -0.33 0.00 -0.52 0.00 0.00 55.73 54.89 2yup s ARG 37 Cb -0.05 -2.59 -0.13 0.00 0.52 0.00 0.00 34.95 32.70 2yup s ARG 37 CO -0.12 0.10 1.69 1.17 0.02 0.00 0.00 175.30 178.16 2yup n LYS 38 N -1.47 2.40 0.00 3.54 4.81 -1.26 -2.21 118.16 123.96 2yup n LYS 38 Ca -0.02 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 2yup n LYS 38 Cb 0.55 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 3.80 2.73 3.58 3.14 0.00 -0.71 -5.00 105.19 112.72 2yup n GLY 39 Ca 0.18 -0.83 -0.41 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 1.16 -3.37 1.61 1.02 -0.94 -4.69 120.64 115.42 2yup n GLU 40 Ca 0.00 0.42 -0.43 0.00 -0.02 0.00 0.00 57.16 57.12 2yup n GLU 40 Cb 0.00 -1.93 -0.09 0.00 -0.02 0.00 0.00 31.44 29.40 2yup n GLU 40 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2yup s HIS 41 N -1.32 3.20 -0.14 -0.32 3.76 -1.26 -2.72 115.29 116.49 2yup s HIS 41 Ca 0.64 -0.60 -0.06 0.00 -0.15 0.00 0.00 55.06 54.89 2yup s HIS 41 Cb -0.56 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.19 2yup s HIS 41 CO 0.56 -0.71 0.09 0.42 -0.85 0.00 0.00 174.74 174.26 2yup s ILE 42 N 1.89 5.10 -0.21 0.60 1.01 -1.21 -4.11 121.20 124.28 2yup s ILE 42 Ca 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 2yup s ILE 42 Cb -0.20 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 2yup s ILE 42 CO 0.10 0.56 0.13 0.00 0.00 0.00 0.00 174.94 175.74 2yup s LEU 44 N 0.51 3.79 -0.05 0.00 1.43 -0.97 -2.46 118.68 120.93 2yup s LEU 44 Ca 0.08 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 2yup s LEU 44 Cb -0.12 -3.09 -0.30 0.00 0.03 0.00 0.00 46.19 42.71 2yup s LEU 44 CO -0.01 -1.30 0.67 0.40 0.23 0.00 0.00 176.35 176.35 2yup h ILE 45 N 6.11 0.94 -2.05 -0.59 2.04 -1.57 -2.56 117.51 119.82 2yup h ILE 45 Ca -0.25 -2.54 -0.12 0.00 1.00 0.00 0.00 64.86 62.95 2yup h ILE 45 Cb 1.07 2.73 -0.29 0.00 -0.74 0.00 0.00 36.82 39.59 2yup h ILE 45 CO 1.12 0.85 -0.44 -0.60 0.00 0.00 0.00 178.15 179.08 2yup s ARG 46 N -2.58 0.35 -0.80 2.37 6.06 -1.10 -4.95 118.95 118.30 2yup s ARG 46 Ca -0.15 0.71 -0.25 0.00 -2.50 0.00 0.00 55.73 53.53 2yup s ARG 46 Cb 0.06 -0.18 -0.09 0.00 0.06 0.00 0.00 34.95 34.79 2yup s ARG 46 CO 0.85 -0.52 2.20 0.21 -2.50 0.00 0.00 175.30 175.53 2yup s LYS 47 N 2.58 2.07 0.07 5.12 2.20 -1.26 -2.38 119.74 128.13 2yup s LYS 47 Ca 0.09 0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.81 2yup s LYS 47 Cb -0.14 -4.85 -0.05 0.00 -1.51 0.00 0.00 37.83 31.28 2yup s LYS 47 CO -0.15 -3.85 1.26 0.28 -0.36 0.00 0.00 175.35 172.54 2yup h VAL 48 N 7.47 0.00 -3.81 4.02 2.07 -1.88 -3.46 116.25 120.66 2yup h VAL 48 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 2yup h VAL 48 Cb 1.03 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2yup h VAL 48 CO 1.11 0.00 -0.09 0.20 0.02 0.00 0.00 177.57 178.81 2yup s ASN 49 N -3.97 0.55 0.00 0.57 0.01 -0.98 -4.94 114.94 106.19 2yup s ASN 49 Ca -0.07 -1.32 0.09 0.00 -0.71 0.00 0.00 52.86 50.86 2yup s ASN 49 Cb 0.04 0.69 0.44 0.00 0.41 0.00 0.00 41.25 42.84 2yup s ASN 49 CO 0.30 -1.35 1.20 -1.84 -1.51 0.00 0.00 177.10 173.90 2yup n GLU 50 N -0.52 0.10 0.00 -0.60 0.28 -1.26 -2.49 120.64 116.15 2yup n GLU 50 Ca -0.01 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 2yup n GLU 50 Cb 0.61 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 -1.33 4.69 -4.82 -1.84 3.02 -1.26 -4.96 115.26 108.76 2yup n ASN 51 Ca 0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.37 2yup n ASN 51 Cb 0.08 0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.93 2.76 -0.23 3.10 0.52 -1.04 -1.27 118.94 120.86 2yup s TRP 52 Ca 0.00 -0.41 -0.19 0.00 0.02 0.00 0.00 56.10 55.52 2yup s TRP 52 Cb 0.00 -1.88 0.06 0.00 -1.15 0.00 0.00 33.47 30.50 2yup s TRP 52 CO 0.00 0.13 0.59 0.71 0.02 0.00 0.00 176.95 178.41 2yup s TYR 53 N -2.42 -0.72 -0.22 -1.98 2.02 -0.57 -2.31 117.35 111.16 2yup s TYR 53 Ca 0.42 1.66 -0.05 0.00 -0.37 0.00 0.00 57.07 58.73 2yup s TYR 53 Cb -0.03 0.30 -0.02 0.00 -0.40 0.00 0.00 41.96 41.81 2yup s TYR 53 CO 0.25 -0.35 -0.00 -2.00 -1.57 0.00 0.00 175.55 171.88 2yup s GLU 54 N 0.64 3.52 0.00 -0.62 2.12 -1.00 -0.26 118.70 123.10 2yup s GLU 54 Ca -0.03 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.75 2yup s GLU 54 Cb -0.05 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2yup s GLU 54 CO -0.04 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2yup n GLY 55 N 4.62 3.69 2.89 -1.50 0.00 -0.20 -1.43 105.19 113.26 2yup n GLY 55 Ca -0.17 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.91 0.02 -0.83 1.61 1.04 -1.03 -1.54 118.95 116.31 2yup s ARG 56 Ca 0.00 0.04 -0.26 0.00 -1.04 0.00 0.00 55.73 54.47 2yup s ARG 56 Cb 0.00 -0.00 0.03 0.00 -2.04 0.00 0.00 34.95 32.94 2yup s ARG 56 CO 0.00 -0.01 1.35 0.42 -0.04 0.00 0.00 175.30 177.02 2yup s ILE 57 N 0.06 3.77 0.31 4.99 -1.09 -0.95 -3.25 121.20 125.04 2yup s ILE 57 Ca -0.00 0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.16 2yup s ILE 57 Cb -0.01 -4.94 -0.13 0.00 -1.58 0.00 0.00 42.46 35.80 2yup s ILE 57 CO -0.00 -1.86 1.26 1.07 -1.23 0.00 0.00 174.94 174.17 2yup n THR 58 N 6.57 1.76 0.00 2.92 5.66 -1.26 -2.25 114.28 127.68 2yup n THR 58 Ca 0.13 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2yup n THR 58 Cb 0.50 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 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 1.17 3.07 0.10 1.09 0.00 -1.26 -4.77 105.19 104.59 2yup n GLY 59 Ca 0.07 -0.85 -0.18 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 1.50 0.00 2.61 -2.24 -1.07 -5.03 114.28 110.04 2yup n THR 60 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2yup n THR 60 Cb 0.00 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.10 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 1.44 1.59 3.28 3.38 0.00 -0.95 -5.11 105.19 108.81 2yup n GLY 61 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.91 -3.60 1.61 1.74 -1.26 -4.76 116.66 109.49 2yup n ARG 62 Ca 0.00 -0.24 -0.11 0.00 -0.77 0.00 0.00 57.85 56.73 2yup n ARG 62 Cb 0.00 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 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 -3.27 0.61 0.00 5.56 0.74 -1.26 -2.24 119.66 119.80 2yup s GLN 63 Ca 0.53 0.35 0.00 0.00 0.05 0.00 0.00 55.36 56.29 2yup s GLN 63 Cb -0.13 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.27 2yup s GLN 63 CO 0.68 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.68 2yup n GLY 64 N 1.35 -1.08 3.75 2.59 0.00 -0.59 -4.82 105.19 106.39 2yup n GLY 64 Ca -0.12 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.00 4.18 0.06 -0.61 -4.36 0.11 -1.03 121.20 116.54 2yup s ILE 65 Ca 0.00 -1.25 -0.18 0.00 -0.26 0.00 0.00 60.65 58.96 2yup s ILE 65 Cb 0.00 -3.14 0.04 0.00 1.25 0.00 0.00 42.46 40.61 2yup s ILE 65 CO 0.00 -0.13 0.42 0.72 0.24 0.00 0.00 174.94 176.18 2yup s PHE 66 N -1.79 -0.26 0.45 1.37 -0.12 0.64 -2.35 117.98 115.93 2yup s PHE 66 Ca 0.30 0.19 -0.23 0.00 -0.05 0.00 0.00 56.93 57.14 2yup s PHE 66 Cb -0.09 0.23 -0.08 0.00 -0.63 0.00 0.00 43.02 42.45 2yup s PHE 66 CO 0.22 -0.59 1.17 -1.25 -0.05 0.00 0.00 175.22 174.71 2yup s PRO 67 N -2.66 3.79 0.25 1.99 0.04 -1.26 -1.51 135.00 135.64 2yup s PRO 67 Ca -0.04 1.79 0.11 0.00 0.04 0.00 0.00 61.00 62.90 2yup s PRO 67 Cb -0.00 -2.44 0.23 0.00 0.04 0.00 0.00 34.50 32.32 2yup s PRO 67 CO -0.04 -0.53 1.53 0.00 0.04 0.00 0.00 177.00 178.00 2yup h ALA 68 N 2.12 0.78 0.00 8.56 0.00 -1.49 -2.96 119.26 126.28 2yup h ALA 68 Ca -0.49 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2yup h ALA 68 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2yup h ALA 68 CO 0.60 0.85 0.00 0.43 0.00 0.00 0.00 179.25 181.13 2yup n SER 69 N -3.59 0.00 -0.03 0.00 7.64 -1.26 -1.83 113.62 114.54 2yup n SER 69 Ca -0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2yup n SER 69 Cb 0.70 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.26 0.00 -4.42 1.43 4.02 -1.12 -4.88 117.16 110.93 2yup n TYR 70 Ca 0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.70 2yup n TYR 70 Cb 0.08 -0.45 -0.09 0.00 -0.02 0.00 0.00 39.34 38.86 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 -2.61 2.74 -0.21 -0.72 -7.23 -0.76 -0.76 120.40 110.84 2yup s VAL 71 Ca -0.05 -2.23 -0.04 0.00 -1.81 0.00 0.00 61.98 57.84 2yup s VAL 71 Cb 0.06 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2yup s VAL 71 CO 0.53 -0.36 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.36 2yup s GLN 72 N -3.46 3.52 -0.24 4.82 2.00 0.72 -4.78 119.66 122.24 2yup s GLN 72 Ca 0.29 -0.57 -0.24 0.00 -2.00 0.00 0.00 55.36 52.85 2yup s GLN 72 Cb -0.06 -3.04 -0.01 0.00 0.80 0.00 0.00 33.01 30.71 2yup s GLN 72 CO 0.16 -0.06 0.79 0.08 -0.50 0.00 0.00 175.29 175.75 2yup s VAL 73 N 1.17 4.87 -0.16 1.34 1.01 -1.26 -0.59 120.40 126.77 2yup s VAL 73 Ca 0.03 1.47 0.16 0.00 0.00 0.00 0.00 61.98 63.64 2yup s VAL 73 Cb -0.14 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 2yup s VAL 73 CO 0.00 -0.05 0.20 -0.24 0.00 0.00 0.00 175.10 175.01 2yup n SER 74 N 5.94 0.27 -3.24 3.32 2.88 -0.13 -4.90 113.62 117.75 2yup n SER 74 Ca 0.04 0.09 -0.02 0.00 -1.33 0.00 0.00 58.87 57.65 2yup n SER 74 Cb 0.48 0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 64.60 2yup n SER 74 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2yup s ARG 75 N -2.52 0.47 0.74 -1.46 3.52 -0.95 -4.93 118.95 113.81 2yup s ARG 75 Ca -0.10 0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 56.03 2yup s ARG 75 Cb 0.07 0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.54 2yup s ARG 75 CO 0.82 -0.73 1.20 -1.21 -0.81 0.00 0.00 175.30 174.57 2yup s GLU 76 N 2.70 2.11 0.71 5.12 8.01 -1.26 -0.15 118.70 135.95 2yup s GLU 76 Ca 0.15 1.73 -0.13 0.00 0.01 0.00 0.00 54.97 56.74 2yup s GLU 76 Cb -0.14 -1.83 0.03 0.00 -4.31 0.00 0.00 34.13 27.87 2yup s GLU 76 CO -0.21 -1.85 1.10 -1.25 0.01 0.00 0.00 175.26 173.06 2yup s PRO 77 N -3.96 2.53 0.30 0.39 0.04 -1.26 -4.66 135.00 128.38 2yup s PRO 77 Ca 0.74 1.29 0.25 0.00 0.04 0.00 0.00 61.00 63.32 2yup s PRO 77 Cb -0.28 -1.92 1.03 0.00 0.04 0.00 0.00 34.50 33.36 2yup s PRO 77 CO 0.46 -1.45 1.76 -0.09 0.04 0.00 0.00 177.00 177.72 2yup h ARG 78 N -0.54 0.00 -3.13 4.56 1.12 -1.74 -3.41 114.38 111.24 2yup h ARG 78 Ca -0.45 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.17 2yup h ARG 78 Cb 1.24 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.13 2yup h ARG 78 CO 0.53 0.00 1.23 1.28 -3.11 0.00 0.00 179.97 179.90 2yup n LEU 79 N -2.38 -0.65 -3.84 3.80 4.32 -1.26 -0.60 117.00 116.38 2yup n LEU 79 Ca 0.02 -0.23 -0.26 0.00 -0.02 0.00 0.00 56.01 55.52 2yup n LEU 79 Cb 0.26 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.63 2yup n LEU 79 CO 0.22 -0.79 -0.23 0.54 -1.22 0.00 0.00 177.39 175.91 2yup n ARG 80 N 3.90 -0.74 0.02 3.23 1.74 -1.26 -4.75 116.66 118.80 2yup n ARG 80 Ca 0.42 -0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.52 2yup n ARG 80 Cb 0.07 -1.94 0.44 0.00 -1.02 0.00 0.00 32.46 30.01 2yup n ARG 80 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 2yup h LEU 81 N -0.85 0.43 -9.67 0.55 8.10 -1.09 -3.43 115.31 109.35 2yup h LEU 81 Ca -0.46 -0.01 -0.58 0.00 0.11 0.00 0.00 57.88 56.93 2yup h LEU 81 Cb 0.95 -0.11 0.12 0.00 -0.44 0.00 0.00 40.66 41.18 2yup h LEU 81 CO 0.42 0.32 0.30 0.00 -4.11 0.00 0.00 178.44 175.37 2yup s ASP 83 N -0.56 3.54 0.12 0.00 1.01 -1.26 -5.03 116.67 114.49 2yup s ASP 83 Ca 0.60 -0.91 -0.33 0.00 0.71 0.00 0.00 52.55 52.63 2yup s ASP 83 Cb -0.58 -1.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.80 2yup s ASP 83 CO 0.59 -0.09 1.56 -0.78 0.21 0.00 0.00 175.17 176.67 2yup h ASP 84 N 7.90 -1.55 -3.59 0.27 3.58 -1.95 -3.40 116.42 117.68 2yup h ASP 84 Ca -0.34 0.18 -0.51 0.00 0.42 0.00 0.00 57.03 56.77 2yup h ASP 84 Cb 1.10 0.60 -0.02 0.00 1.72 0.00 0.00 39.33 42.72 2yup h ASP 84 CO 0.55 -0.50 0.30 -0.94 -2.88 0.00 0.00 179.24 175.78 2yup s SER 85 N -4.79 7.49 0.00 2.28 1.04 -1.26 -4.89 113.70 113.57 2yup s SER 85 Ca -0.16 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2yup s SER 85 Cb 0.07 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2yup s SER 85 CO 0.62 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.50 2yup n GLY 86 N 1.96 -1.91 3.77 7.32 0.00 -1.26 -5.01 105.19 110.06 2yup n GLY 86 Ca -0.01 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.28 3.80 -0.31 1.61 0.04 -1.26 -4.98 135.00 133.62 2yup s PRO 87 Ca 0.00 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2yup s PRO 87 Cb 0.00 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 32.10 2yup s PRO 87 CO 0.00 -0.52 1.07 0.45 0.04 0.00 0.00 177.00 178.04 2yup s SER 88 N -1.31 6.94 0.60 6.66 0.15 -1.26 -4.85 113.70 120.63 2yup s SER 88 Ca 0.62 1.07 -0.13 0.00 0.70 0.00 0.00 55.95 58.21 2yup s SER 88 Cb -0.29 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 2yup s SER 88 CO 0.36 -0.86 1.03 -0.44 1.20 0.00 0.00 173.24 174.52 2yup s SER 89 N 1.62 6.15 0.00 5.45 0.01 -1.26 -5.15 113.70 120.52 2yup s SER 89 Ca 0.45 1.52 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2yup s SER 89 Cb -0.12 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2yup s SER 89 CO 0.15 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.49