#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 6.56 -0.22 1.61 0.01 -1.26 -4.95 113.70 115.46 2yup s SER 2 Ca 0.00 2.47 -0.29 0.00 1.31 0.00 0.00 55.95 59.44 2yup s SER 2 Cb 0.00 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2yup s SER 2 CO 0.00 -0.97 1.01 -0.44 0.41 0.00 0.00 173.24 173.25 2yup s SER 3 N 3.51 7.08 0.28 2.44 0.01 -1.26 -4.98 113.70 120.78 2yup s SER 3 Ca 0.79 1.35 -0.27 0.00 1.31 0.00 0.00 55.95 59.14 2yup s SER 3 Cb -0.39 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.16 2yup s SER 3 CO 0.35 -0.63 0.63 0.61 0.41 0.00 0.00 173.24 174.60 2yup n GLY 4 N 3.35 -1.37 3.02 3.44 0.00 -1.26 -4.99 105.19 107.38 2yup n GLY 4 Ca 0.11 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.87 0.43 0.02 1.61 0.15 -1.26 -5.07 113.70 108.72 2yup s SER 5 Ca 0.62 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2yup s SER 5 Cb -0.79 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2yup s SER 5 CO 0.58 -0.34 0.00 -1.20 1.20 0.00 0.00 173.24 173.48 2yup n SER 6 N 1.26 0.11 0.00 5.45 7.64 -1.26 -5.13 113.62 121.69 2yup n SER 6 Ca -0.22 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2yup n SER 6 Cb 0.56 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 2.67 -2.05 3.49 0.23 0.00 -1.26 -5.15 105.19 103.13 2yup n GLY 7 Ca 0.00 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 2yup n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yup s LYS 8 N 0.00 1.76 0.51 1.61 3.01 -1.26 -5.13 119.74 120.24 2yup s LYS 8 Ca 0.00 -1.63 -0.21 0.00 -1.01 0.00 0.00 55.97 53.12 2yup s LYS 8 Cb 0.00 -1.87 -0.06 0.00 -1.01 0.00 0.00 37.83 34.89 2yup s LYS 8 CO 0.00 0.36 1.14 -1.25 0.51 0.00 0.00 175.35 176.11 2yup s PRO 9 N -3.29 3.51 0.44 -1.68 0.04 -1.26 -5.01 135.00 127.75 2yup s PRO 9 Ca 0.28 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.75 2yup s PRO 9 Cb -0.06 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 2yup s PRO 9 CO 0.15 -0.74 1.17 -1.25 0.04 0.00 0.00 177.00 176.37 2yup s PRO 10 N -3.07 3.84 0.26 0.56 0.04 -1.26 -5.06 135.00 130.32 2yup s PRO 10 Ca 0.69 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.60 2yup s PRO 10 Cb -0.26 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 2yup s PRO 10 CO 0.30 -0.49 -0.06 0.95 0.04 0.00 0.00 177.00 177.74 2yup s THR 11 N -1.50 1.54 -0.50 1.26 -4.23 -1.26 -5.11 115.64 105.84 2yup s THR 11 Ca 0.62 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 2yup s THR 11 Cb -0.29 -2.39 0.08 0.00 1.34 0.00 0.00 72.50 71.24 2yup s THR 11 CO 0.36 -0.34 0.46 -0.47 -0.54 0.00 0.00 174.62 174.09 2yup s TYR 12 N -3.08 3.21 -0.05 3.99 6.14 -1.26 -4.83 117.35 121.47 2yup s TYR 12 Ca 0.28 -0.96 0.07 0.00 0.64 0.00 0.00 57.07 57.10 2yup s TYR 12 Cb 0.04 -3.38 -0.10 0.00 0.42 0.00 0.00 41.96 38.94 2yup s TYR 12 CO 0.11 -0.89 0.07 0.94 0.64 0.00 0.00 175.55 176.42 2yup n GLN 13 N 5.37 1.97 -0.80 4.97 -0.06 -1.26 -4.64 117.38 122.92 2yup n GLN 13 Ca -0.12 -0.03 -0.09 0.00 -2.00 0.00 0.00 57.00 54.77 2yup n GLN 13 Cb 0.43 -1.18 -0.05 0.00 -4.06 0.00 0.00 30.24 25.38 2yup n GLN 13 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 2yup n VAL 14 N -2.09 2.54 -3.47 1.69 0.24 -1.26 -4.88 118.33 111.11 2yup n VAL 14 Ca -0.08 -1.20 -0.19 0.00 -2.04 0.00 0.00 64.34 60.83 2yup n VAL 14 Cb 0.55 -1.64 -0.00 0.00 -1.47 0.00 0.00 33.84 31.27 2yup n VAL 14 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2yup s LEU 15 N -0.46 3.97 -0.14 1.34 2.34 -1.26 -5.07 118.68 119.41 2yup s LEU 15 Ca 0.31 -0.18 -0.11 0.00 0.06 0.00 0.00 54.13 54.21 2yup s LEU 15 Cb 0.17 -2.76 -0.06 0.00 -0.56 0.00 0.00 46.19 42.98 2yup s LEU 15 CO -0.02 -0.43 -0.25 -0.62 -1.06 0.00 0.00 176.35 173.97 2yup n GLU 16 N -1.64 0.39 -1.14 1.48 -0.58 -1.26 -5.02 120.64 112.86 2yup n GLU 16 Ca -0.00 0.16 -0.35 0.00 -0.42 0.00 0.00 57.16 56.55 2yup n GLU 16 Cb 0.58 -1.17 0.08 0.00 -0.57 0.00 0.00 31.44 30.36 2yup n GLU 16 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2yup n TYR 17 N -4.04 -0.94 -1.68 -0.32 4.02 -1.26 -4.64 117.16 108.30 2yup n TYR 17 Ca -0.23 0.32 -0.35 0.00 -0.01 0.00 0.00 57.90 57.63 2yup n TYR 17 Cb 0.55 -1.89 0.07 0.00 -0.02 0.00 0.00 39.34 38.05 2yup n TYR 17 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2yup s GLY 18 N -1.61 2.59 -0.09 2.72 0.00 -1.18 -4.88 107.32 104.87 2yup s GLY 18 Ca 0.63 1.00 0.03 0.00 0.00 0.00 0.00 44.72 46.38 2yup s GLY 18 CO 0.60 1.40 -0.18 1.85 0.00 0.00 0.00 173.10 176.78 2yup s GLU 19 N -3.62 2.42 -0.01 2.90 2.12 0.09 -2.77 118.70 119.84 2yup s GLU 19 Ca 0.77 -0.65 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 2yup s GLU 19 Cb -0.31 -1.92 -0.00 0.00 0.26 0.00 0.00 34.13 32.15 2yup s GLU 19 CO 0.40 0.07 0.05 0.00 -0.54 0.00 0.00 175.26 175.24 2yup s ALA 20 N 0.61 -0.12 -0.19 6.30 0.00 -1.25 -1.86 121.76 125.25 2yup s ALA 20 Ca -0.14 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2yup s ALA 20 Cb -0.16 0.01 0.03 0.00 0.00 0.00 0.00 23.12 22.99 2yup s ALA 20 CO 0.04 -0.10 -0.18 0.08 0.00 0.00 0.00 175.76 175.60 2yup s VAL 21 N -0.67 2.03 0.08 0.00 1.01 -0.29 -3.01 120.40 119.55 2yup s VAL 21 Ca -0.07 -1.01 -0.32 0.00 0.00 0.00 0.00 61.98 60.57 2yup s VAL 21 Cb -0.05 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 34.33 2yup s VAL 21 CO 0.00 0.45 1.80 0.00 0.00 0.00 0.00 175.10 177.35 2yup n ALA 22 N 4.61 1.68 -0.13 5.51 0.00 -0.90 0.04 120.51 131.33 2yup n ALA 22 Ca -0.20 0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 2yup n ALA 22 Cb 0.49 -2.52 -0.11 0.00 0.00 0.00 0.00 19.45 17.30 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 5.47 0.63 -4.96 0.00 1.13 -1.17 -0.06 117.38 118.43 2yup n GLN 23 Ca 0.19 0.17 -0.28 0.00 -1.94 0.00 0.00 57.00 55.14 2yup n GLN 23 Cb 0.34 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.02 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 -2.51 1.95 -0.17 1.08 1.51 -1.19 -4.73 117.35 113.30 2yup s TYR 24 Ca -0.35 -0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 54.81 2yup s TYR 24 Cb 0.10 -1.31 -0.07 0.00 -0.11 0.00 0.00 41.96 40.57 2yup s TYR 24 CO 0.57 -0.21 2.15 2.41 -1.11 0.00 0.00 175.55 179.35 2yup n THR 25 N 3.19 0.43 -3.85 -0.71 -1.04 -1.26 -4.57 114.28 106.47 2yup n THR 25 Ca -0.18 -0.35 -0.27 0.00 -2.04 0.00 0.00 64.05 61.21 2yup n THR 25 Cb 0.53 -2.36 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 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 7.11 3.48 -0.23 -1.42 5.36 -0.90 -5.00 117.98 126.39 2yup s PHE 26 Ca 0.99 0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 57.15 2yup s PHE 26 Cb -0.45 -1.74 0.07 0.00 -0.34 0.00 0.00 43.02 40.57 2yup s PHE 26 CO 0.40 0.46 0.02 0.21 -1.46 0.00 0.00 175.22 174.85 2yup s LYS 27 N -3.28 0.93 -0.54 10.12 2.20 -1.26 -3.44 119.74 124.46 2yup s LYS 27 Ca 0.36 -0.70 -0.14 0.00 -0.36 0.00 0.00 55.97 55.12 2yup s LYS 27 Cb -0.11 -2.22 0.13 0.00 -1.51 0.00 0.00 37.83 34.12 2yup s LYS 27 CO 0.29 -0.70 0.48 0.20 -0.36 0.00 0.00 175.35 175.26 2yup s GLY 28 N 1.68 2.12 0.20 5.54 0.00 -1.26 -4.91 107.32 110.70 2yup s GLY 28 Ca -0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 44.72 42.11 2yup s GLY 28 CO -0.11 1.18 1.51 -1.80 0.00 0.00 0.00 173.10 173.89 2yup h ASP 29 N 8.70 0.54 -3.58 1.64 3.58 -1.98 -3.43 116.42 121.89 2yup h ASP 29 Ca -0.25 -0.30 -0.40 0.00 0.42 0.00 0.00 57.03 56.50 2yup h ASP 29 Cb 1.09 -0.16 0.17 0.00 1.72 0.00 0.00 39.33 42.16 2yup h ASP 29 CO 0.98 1.00 0.30 0.18 -2.88 0.00 0.00 179.24 178.81 2yup n LEU 30 N -3.94 0.00 -0.06 2.28 4.77 -1.26 -5.00 117.00 113.79 2yup n LEU 30 Ca -0.03 -1.28 -0.05 0.00 -0.03 0.00 0.00 56.01 54.62 2yup n LEU 30 Cb 0.61 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2yup n LEU 30 CO 0.47 -1.65 0.14 -0.33 -1.33 0.00 0.00 177.39 174.68 2yup h GLU 31 N 0.00 0.00 0.00 3.23 5.08 -2.00 -3.29 114.58 117.60 2yup h GLU 31 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2yup h GLU 31 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2yup h GLU 31 CO 0.28 0.35 0.00 1.33 -1.00 0.00 0.00 179.01 179.96 2yup n VAL 32 N -4.72 1.14 -2.98 3.13 0.24 -1.26 -4.25 118.33 109.64 2yup n VAL 32 Ca -0.03 0.67 -0.44 0.00 -2.04 0.00 0.00 64.34 62.50 2yup n VAL 32 Cb 0.17 -1.66 -0.04 0.00 -1.47 0.00 0.00 33.84 30.83 2yup n VAL 32 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2yup s GLU 33 N -3.46 3.13 -0.07 7.34 0.41 -1.24 -0.03 118.70 124.77 2yup s GLU 33 Ca -0.02 -1.14 -0.26 0.00 -0.41 0.00 0.00 54.97 53.14 2yup s GLU 33 Cb 0.06 -4.30 -0.03 0.00 -1.78 0.00 0.00 34.13 28.08 2yup s GLU 33 CO 0.19 -1.69 0.84 -1.17 -0.49 0.00 0.00 175.26 172.94 2yup s LEU 34 N 3.31 4.29 0.45 1.80 2.96 -0.33 -4.24 118.68 126.93 2yup s LEU 34 Ca 0.18 1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 55.41 2yup s LEU 34 Cb -0.19 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2yup s LEU 34 CO 0.07 -0.25 0.73 -0.94 -1.32 0.00 0.00 176.35 174.63 2yup s SER 35 N 0.97 6.17 0.02 3.68 1.04 -1.26 -4.58 113.70 119.74 2yup s SER 35 Ca 0.43 0.73 -0.28 0.00 0.48 0.00 0.00 55.95 57.31 2yup s SER 35 Cb -0.18 -2.08 0.10 0.00 0.10 0.00 0.00 66.02 63.95 2yup s SER 35 CO 0.20 -0.56 0.84 0.72 0.98 0.00 0.00 173.24 175.41 2yup s PHE 36 N -2.64 -0.39 -0.02 5.02 -0.12 -1.22 -4.98 117.98 113.63 2yup s PHE 36 Ca 0.46 0.27 0.02 0.00 -0.05 0.00 0.00 56.93 57.63 2yup s PHE 36 Cb -0.10 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2yup s PHE 36 CO 0.42 -0.59 -0.07 1.03 -0.05 0.00 0.00 175.22 175.96 2yup s ARG 37 N -3.12 2.63 0.02 1.99 0.52 -1.26 -2.12 118.95 117.61 2yup s ARG 37 Ca 0.04 -0.65 -0.37 0.00 -0.52 0.00 0.00 55.73 54.23 2yup s ARG 37 Cb -0.01 -2.54 -0.16 0.00 0.52 0.00 0.00 34.95 32.77 2yup s ARG 37 CO -0.09 0.63 1.50 1.17 0.02 0.00 0.00 175.30 178.52 2yup n LYS 38 N 1.80 1.42 0.00 3.54 4.81 -1.26 -1.18 118.16 127.28 2yup n LYS 38 Ca -0.16 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 2yup n LYS 38 Cb 0.53 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.37 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 3.12 2.61 3.76 3.14 0.00 0.92 -4.96 105.19 113.79 2yup n GLY 39 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2yup n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yup s GLU 40 N -0.34 3.19 -0.40 1.61 0.41 -0.33 -4.71 118.70 118.14 2yup s GLU 40 Ca 0.00 1.71 -0.08 0.00 -0.41 0.00 0.00 54.97 56.19 2yup s GLU 40 Cb 0.00 -1.98 0.07 0.00 -1.78 0.00 0.00 34.13 30.45 2yup s GLU 40 CO 0.00 -1.00 0.22 -1.01 -0.49 0.00 0.00 175.26 172.98 2yup s HIS 41 N -1.69 3.34 -0.30 1.61 3.76 -1.26 -2.12 115.29 118.64 2yup s HIS 41 Ca 0.75 -1.58 -0.18 0.00 -0.15 0.00 0.00 55.06 53.90 2yup s HIS 41 Cb -0.27 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 30.57 2yup s HIS 41 CO 0.30 -0.83 0.54 0.42 -0.85 0.00 0.00 174.74 174.31 2yup s ILE 42 N 1.40 5.02 -0.38 0.60 1.01 -1.17 -4.80 121.20 122.89 2yup s ILE 42 Ca 0.02 0.69 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 2yup s ILE 42 Cb -0.22 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.35 2yup s ILE 42 CO 0.02 -0.06 1.38 0.00 0.00 0.00 0.00 174.94 176.28 2yup s LEU 44 N 5.11 3.26 0.07 0.00 1.43 -1.11 -3.03 118.68 124.41 2yup s LEU 44 Ca 0.60 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 2yup s LEU 44 Cb -0.14 -2.55 -0.13 0.00 0.03 0.00 0.00 46.19 43.39 2yup s LEU 44 CO 0.30 -2.32 1.62 0.40 0.23 0.00 0.00 176.35 176.58 2yup h ILE 45 N 6.94 1.13 -2.81 -0.59 2.04 -1.82 -3.12 117.51 119.28 2yup h ILE 45 Ca -0.02 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 2yup h ILE 45 Cb 1.05 1.23 -0.21 0.00 -0.74 0.00 0.00 36.82 38.16 2yup h ILE 45 CO 1.26 0.11 -0.20 0.00 0.00 0.00 0.00 178.15 179.32 2yup s ARG 46 N -5.64 0.68 -0.24 2.37 3.03 -1.19 -4.92 118.95 113.04 2yup s ARG 46 Ca -0.14 0.07 -0.24 0.00 2.03 0.00 0.00 55.73 57.45 2yup s ARG 46 Cb 0.06 0.31 -0.01 0.00 -1.03 0.00 0.00 34.95 34.28 2yup s ARG 46 CO 0.68 -0.17 0.81 0.21 -1.13 0.00 0.00 175.30 175.70 2yup s LYS 47 N -0.90 4.19 -0.07 3.89 2.20 -1.26 -3.14 119.74 124.64 2yup s LYS 47 Ca -0.10 0.91 -0.10 0.00 -0.36 0.00 0.00 55.97 56.32 2yup s LYS 47 Cb -0.04 -3.64 -0.30 0.00 -1.51 0.00 0.00 37.83 32.35 2yup s LYS 47 CO 0.04 -0.49 0.59 -0.24 -0.36 0.00 0.00 175.35 174.90 2yup h VAL 48 N 5.40 0.86 -3.31 4.02 3.04 -1.91 -3.48 116.25 120.87 2yup h VAL 48 Ca -0.24 -2.47 -0.04 0.00 -1.01 0.00 0.00 66.70 62.94 2yup h VAL 48 Cb 1.10 2.70 -0.12 0.00 -2.01 0.00 0.00 31.29 32.96 2yup h VAL 48 CO 0.86 0.87 -0.00 0.20 -1.01 0.00 0.00 177.57 178.49 2yup s ASN 49 N -7.24 -0.30 0.17 3.17 0.01 -0.97 -4.97 114.94 104.82 2yup s ASN 49 Ca -0.18 -0.31 0.13 0.00 -0.71 0.00 0.00 52.86 51.80 2yup s ASN 49 Cb 0.06 0.52 0.67 0.00 0.41 0.00 0.00 41.25 42.91 2yup s ASN 49 CO 0.83 -0.92 1.40 -1.84 -1.51 0.00 0.00 177.10 175.06 2yup n GLU 50 N -0.28 0.08 -0.04 -0.60 -0.00 -1.26 -3.03 120.64 115.51 2yup n GLU 50 Ca -0.15 0.54 -0.07 0.00 -0.00 0.00 0.00 57.16 57.48 2yup n GLU 50 Cb 0.64 -1.75 -0.03 0.00 -0.00 0.00 0.00 31.44 30.30 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 -1.92 1.19 -4.83 -1.84 3.02 -1.26 -5.01 115.26 104.62 2yup n ASN 51 Ca -0.00 0.06 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 2yup n ASN 51 Cb 0.05 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 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 -2.14 3.53 -0.05 3.10 0.52 -1.17 -1.57 118.94 121.16 2yup s TRP 52 Ca -0.10 1.36 0.03 0.00 0.02 0.00 0.00 56.10 57.40 2yup s TRP 52 Cb 0.04 -2.62 0.01 0.00 -1.15 0.00 0.00 33.47 29.75 2yup s TRP 52 CO 0.14 0.21 -0.12 0.71 0.02 0.00 0.00 176.95 177.91 2yup s TYR 53 N -1.74 1.34 -0.21 -1.98 2.02 0.28 -2.29 117.35 114.77 2yup s TYR 53 Ca 0.49 -0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 56.69 2yup s TYR 53 Cb -0.14 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.43 2yup s TYR 53 CO 0.19 -0.20 0.05 -2.00 -1.57 0.00 0.00 175.55 172.03 2yup s GLU 54 N 0.41 3.80 0.00 -0.62 2.12 -1.19 -1.15 118.70 122.07 2yup s GLU 54 Ca -0.09 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2yup s GLU 54 Cb -0.13 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2yup s GLU 54 CO 0.02 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2yup n GLY 55 N 4.13 4.62 3.48 -1.50 0.00 -0.59 -2.53 105.19 112.81 2yup n GLY 55 Ca -0.16 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 1.97 1.32 -0.93 1.61 1.70 -1.17 -2.92 118.95 120.54 2yup s ARG 56 Ca 0.00 -0.53 -0.05 0.00 -0.47 0.00 0.00 55.73 54.68 2yup s ARG 56 Cb 0.00 0.58 0.23 0.00 -0.57 0.00 0.00 34.95 35.19 2yup s ARG 56 CO 0.00 -0.58 0.85 0.42 -1.08 0.00 0.00 175.30 174.90 2yup s ILE 57 N -3.74 4.94 -0.34 4.99 -1.09 -0.82 -3.36 121.20 121.78 2yup s ILE 57 Ca 0.03 -3.48 -0.39 0.00 -2.23 0.00 0.00 60.65 54.58 2yup s ILE 57 Cb -0.02 -4.04 -0.17 0.00 -1.58 0.00 0.00 42.46 36.66 2yup s ILE 57 CO -0.10 -1.09 1.27 1.07 -1.23 0.00 0.00 174.94 174.86 2yup n THR 58 N 2.75 0.00 0.00 2.92 5.66 -1.26 -0.74 114.28 123.61 2yup n THR 58 Ca 0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 2yup n THR 58 Cb 0.39 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 2.98 3.09 3.76 1.09 0.00 -1.26 -5.06 105.19 109.80 2yup n GLY 59 Ca 0.24 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.31 3.12 -0.08 2.61 -4.23 0.08 -5.01 115.64 111.83 2yup s THR 60 Ca 0.00 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2yup s THR 60 Cb 0.00 -3.03 0.09 0.00 1.34 0.00 0.00 72.50 70.90 2yup s THR 60 CO 0.00 -0.17 1.43 0.61 -0.54 0.00 0.00 174.62 175.95 2yup n GLY 61 N -1.21 2.59 3.81 3.99 0.00 -1.26 -4.62 105.19 108.49 2yup n GLY 61 Ca -0.03 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.52 3.89 -0.30 1.61 0.52 -1.26 -5.05 118.95 117.84 2yup s ARG 62 Ca 0.09 0.12 -0.15 0.00 -0.52 0.00 0.00 55.73 55.27 2yup s ARG 62 Cb 0.07 -3.28 0.16 0.00 0.52 0.00 0.00 34.95 32.42 2yup s ARG 62 CO 0.01 0.56 1.01 -1.14 0.02 0.00 0.00 175.30 175.76 2yup s GLN 63 N -0.51 0.29 0.00 3.54 0.74 -1.26 -1.95 119.66 120.50 2yup s GLN 63 Ca 0.18 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.26 2yup s GLN 63 Cb -0.14 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.32 2yup s GLN 63 CO 0.07 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 2yup n GLY 64 N 4.68 1.46 3.66 2.59 0.00 -1.15 -4.87 105.19 111.57 2yup n GLY 64 Ca -0.11 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.28 2.87 -0.04 -0.61 -4.36 0.96 -1.54 121.20 117.20 2yup s ILE 65 Ca 0.00 -1.89 -0.29 0.00 -0.26 0.00 0.00 60.65 58.21 2yup s ILE 65 Cb 0.00 -2.84 0.10 0.00 1.25 0.00 0.00 42.46 40.97 2yup s ILE 65 CO 0.00 -0.23 0.87 0.72 0.24 0.00 0.00 174.94 176.54 2yup s PHE 66 N -2.46 -0.40 0.03 1.37 -0.71 -0.30 -1.19 117.98 114.31 2yup s PHE 66 Ca 0.35 0.43 -0.30 0.00 -1.04 0.00 0.00 56.93 56.37 2yup s PHE 66 Cb -0.02 0.50 -0.06 0.00 -1.21 0.00 0.00 43.02 42.23 2yup s PHE 66 CO 0.20 -0.53 1.43 -1.25 -1.34 0.00 0.00 175.22 173.73 2yup s PRO 67 N -2.45 4.28 0.10 1.99 0.04 -1.26 -0.56 135.00 137.14 2yup s PRO 67 Ca 0.01 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 2yup s PRO 67 Cb -0.01 -3.53 -0.13 0.00 0.04 0.00 0.00 34.50 30.88 2yup s PRO 67 CO -0.05 -0.57 1.68 0.00 0.04 0.00 0.00 177.00 178.11 2yup h ALA 68 N 7.73 -0.29 -1.00 8.56 0.00 -1.62 -2.43 119.26 130.21 2yup h ALA 68 Ca -0.39 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 54.86 2yup h ALA 68 Cb 1.19 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 2yup h ALA 68 CO 0.90 -0.68 0.58 0.45 0.00 0.00 0.00 179.25 180.49 2yup n SER 69 N -5.26 0.27 -0.17 0.00 2.88 -1.26 0.22 113.62 110.29 2yup n SER 69 Ca -0.08 1.39 -0.09 0.00 -1.33 0.00 0.00 58.87 58.76 2yup n SER 69 Cb 0.18 -0.68 0.01 0.00 -0.75 0.00 0.00 64.21 62.97 2yup n SER 69 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2yup h TYR 70 N 0.00 0.82 -1.73 0.66 -1.99 -1.83 -3.44 116.97 109.46 2yup h TYR 70 Ca 0.76 -0.10 -0.43 0.00 2.00 0.00 0.00 58.73 60.97 2yup h TYR 70 Cb 2.16 -0.23 0.02 0.00 2.00 0.00 0.00 36.73 40.68 2yup h TYR 70 CO -0.01 0.73 -0.22 0.14 -0.00 0.00 0.00 178.16 178.80 2yup s VAL 71 N -5.32 3.08 -0.25 -2.88 -7.23 0.60 -3.03 120.40 105.37 2yup s VAL 71 Ca -0.13 -0.92 -0.10 0.00 -1.81 0.00 0.00 61.98 59.02 2yup s VAL 71 Cb 0.11 -3.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 2yup s VAL 71 CO 0.79 -0.03 0.16 -1.58 -0.31 0.00 0.00 175.10 174.13 2yup s GLN 72 N -4.42 3.99 -0.47 4.82 0.74 0.11 -4.84 119.66 119.60 2yup s GLN 72 Ca 0.54 -0.31 -0.24 0.00 0.05 0.00 0.00 55.36 55.41 2yup s GLN 72 Cb -0.10 -3.55 0.03 0.00 1.10 0.00 0.00 33.01 30.49 2yup s GLN 72 CO 0.34 -0.03 0.86 0.08 -0.55 0.00 0.00 175.29 175.99 2yup s VAL 73 N 1.30 4.55 -0.23 1.34 1.01 -1.26 -1.14 120.40 125.97 2yup s VAL 73 Ca 0.07 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.60 2yup s VAL 73 Cb -0.14 -4.40 -0.20 0.00 0.00 0.00 0.00 36.38 31.64 2yup s VAL 73 CO 0.06 -0.83 -0.10 -0.24 0.00 0.00 0.00 175.10 174.00 2yup n SER 74 N 6.99 1.56 -3.45 3.32 2.88 -0.78 -4.93 113.62 119.22 2yup n SER 74 Ca 0.03 -0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.38 2yup n SER 74 Cb 0.48 -0.16 -0.10 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.28 0.42 -1.46 3.52 -0.99 -4.96 118.95 113.24 2yup s ARG 75 Ca -0.28 0.48 -0.25 0.00 -0.13 0.00 0.00 55.73 55.55 2yup s ARG 75 Cb 0.08 -0.62 -0.08 0.00 -1.56 0.00 0.00 34.95 32.77 2yup s ARG 75 CO 0.67 -0.59 1.23 -1.21 -0.81 0.00 0.00 175.30 174.59 2yup s GLU 76 N 2.47 3.90 0.93 5.12 2.02 -1.26 -0.74 118.70 131.14 2yup s GLU 76 Ca 0.09 1.97 -0.12 0.00 0.02 0.00 0.00 54.97 56.93 2yup s GLU 76 Cb -0.15 -2.62 0.15 0.00 0.10 0.00 0.00 34.13 31.61 2yup s GLU 76 CO -0.14 -0.49 1.09 -1.25 0.02 0.00 0.00 175.26 174.49 2yup s PRO 77 N -2.40 0.95 -0.08 0.39 0.04 -1.26 -4.66 135.00 127.99 2yup s PRO 77 Ca 0.59 0.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 2yup s PRO 77 Cb -0.34 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.49 2yup s PRO 77 CO 0.42 -2.42 0.64 0.50 0.04 0.00 0.00 177.00 176.17 2yup s ARG 78 N -4.94 0.97 -0.17 4.56 3.00 -1.26 -4.96 118.95 116.14 2yup s ARG 78 Ca 0.64 0.31 -0.01 0.00 -1.00 0.00 0.00 55.73 55.67 2yup s ARG 78 Cb -0.18 0.46 -0.01 0.00 0.00 0.00 0.00 34.95 35.22 2yup s ARG 78 CO 0.57 -0.28 -0.11 -0.51 0.00 0.00 0.00 175.30 174.97 2yup s LEU 79 N -0.96 2.65 -0.81 -0.88 1.02 -1.26 -4.96 118.68 113.47 2yup s LEU 79 Ca -0.10 -0.42 -0.20 0.00 0.02 0.00 0.00 54.13 53.43 2yup s LEU 79 Cb -0.01 -1.63 -0.18 0.00 0.02 0.00 0.00 46.19 44.39 2yup s LEU 79 CO 0.08 0.06 2.03 -2.11 0.02 0.00 0.00 176.35 176.43 2yup n ARG 80 N 4.23 0.20 -0.26 1.70 1.85 -1.26 -4.66 116.66 118.47 2yup n ARG 80 Ca -0.19 -0.99 0.03 0.00 -1.00 0.00 0.00 57.85 55.70 2yup n ARG 80 Cb 0.51 -3.07 0.13 0.00 -1.05 0.00 0.00 32.46 28.99 2yup n ARG 80 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2yup n LEU 81 N 15.55 2.29 -3.96 2.89 -0.00 -1.26 -4.77 117.00 127.75 2yup n LEU 81 Ca 0.39 -1.16 -0.23 0.00 -0.00 0.00 0.00 56.01 55.02 2yup n LEU 81 Cb 0.43 -0.47 -0.16 0.00 -0.00 0.00 0.00 43.42 43.22 2yup n LEU 81 CO 0.62 0.37 -0.44 0.00 -0.00 0.00 0.00 177.39 177.94 2yup n ASP 83 N 3.99 1.97 -4.37 0.00 9.92 -1.26 -4.82 116.55 121.97 2yup n ASP 83 Ca -0.23 0.13 -0.45 0.00 -0.53 0.00 0.00 54.79 53.71 2yup n ASP 83 Cb 0.51 -0.64 -0.04 0.00 -0.64 0.00 0.00 41.12 40.31 2yup n ASP 83 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2yup s ASP 84 N -7.05 6.20 0.70 -2.24 2.15 -1.26 -5.05 116.67 110.13 2yup s ASP 84 Ca -0.37 -1.47 -0.15 0.00 0.43 0.00 0.00 52.55 50.99 2yup s ASP 84 Cb 0.12 -2.30 0.02 0.00 -0.30 0.00 0.00 42.92 40.46 2yup s ASP 84 CO 0.55 -1.11 1.17 -0.55 -0.17 0.00 0.00 175.17 175.05 2yup s SER 85 N 3.61 4.57 0.00 -0.34 0.15 -1.26 -4.79 113.70 115.63 2yup s SER 85 Ca 0.12 2.21 0.00 0.00 0.70 0.00 0.00 55.95 58.98 2yup s SER 85 Cb -0.23 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2yup s SER 85 CO 0.06 -2.01 0.00 0.61 1.20 0.00 0.00 173.24 173.10 2yup n GLY 86 N 0.03 0.98 0.00 9.45 0.00 -1.26 -4.83 105.19 109.56 2yup n GLY 86 Ca 0.12 -1.90 0.08 0.00 0.00 0.00 0.00 46.02 44.31 2yup n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yup n PRO 87 N 0.00 0.39 -3.83 1.61 -0.04 -1.26 -4.86 135.00 127.01 2yup n PRO 87 Ca 0.00 0.05 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 2yup n PRO 87 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 2yup n PRO 87 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yup n SER 88 N -1.10 -1.26 -3.78 3.54 3.41 -1.26 -4.96 113.62 108.22 2yup n SER 88 Ca 0.10 -0.89 -0.08 0.00 -0.26 0.00 0.00 58.87 57.74 2yup n SER 88 Cb 0.07 -3.64 -0.02 0.00 -0.26 0.00 0.00 64.21 60.36 2yup n SER 88 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yup s SER 89 N -4.23 -0.30 0.00 4.04 0.15 -1.26 -5.25 113.70 106.85 2yup s SER 89 Ca 0.09 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2yup s SER 89 Cb -0.05 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2yup s SER 89 CO 0.84 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 174.66