#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yup s THR 4 N 0.00 0.73 0.27 2.52 2.01 -1.26 -4.96 115.64 114.95 1yup s THR 4 Ca 0.00 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1yup s THR 4 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1yup s THR 4 CO 0.00 0.28 0.13 -1.10 -0.69 0.00 0.00 174.62 173.24 1yup s GLN 5 N 1.09 1.48 0.61 4.92 -0.21 -1.26 -5.05 119.66 121.25 1yup s GLN 5 Ca -0.08 -1.82 -0.15 0.00 0.02 0.00 0.00 55.36 53.33 1yup s GLN 5 Cb -0.14 -0.12 -0.03 0.00 1.00 0.00 0.00 33.01 33.73 1yup s GLN 5 CO -0.01 -0.39 1.06 0.99 -2.12 0.00 0.00 175.29 174.82 1yup s THR 6 N -3.73 3.84 0.30 -0.19 2.01 -1.26 -4.63 115.64 111.97 1yup s THR 6 Ca 0.37 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.90 1yup s THR 6 Cb 0.06 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1yup s THR 6 CO 0.15 -0.56 1.10 -0.32 -0.69 0.00 0.00 174.62 174.30 1yup s MET 7 N -4.25 4.56 0.08 4.92 1.75 -0.61 -4.96 119.30 120.79 1yup s MET 7 Ca 0.63 1.79 -0.20 0.00 -1.25 0.00 0.00 55.69 56.65 1yup s MET 7 Cb -0.16 -3.10 -0.07 0.00 2.84 0.00 0.00 34.83 34.35 1yup s MET 7 CO 0.40 0.14 0.61 0.15 -0.65 0.00 0.00 175.02 175.67 1yup s LYS 8 N -1.60 4.27 -0.33 4.11 1.02 -1.26 -4.17 119.74 121.78 1yup s LYS 8 Ca 0.46 0.81 -0.01 0.00 0.02 0.00 0.00 55.97 57.25 1yup s LYS 8 Cb -0.31 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1yup s LYS 8 CO 0.40 0.60 0.28 -0.25 -0.92 0.00 0.00 175.35 175.45 1yup n ASP 9 N 1.82 -2.34 -4.64 2.83 9.92 -1.26 -5.02 116.55 117.85 1yup n ASP 9 Ca -0.09 -0.16 -0.42 0.00 -0.53 0.00 0.00 54.79 53.60 1yup n ASP 9 Cb 0.50 -1.70 -0.04 0.00 -0.64 0.00 0.00 41.12 39.24 1yup n ASP 9 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1yup s LEU 10 N -2.99 4.08 -0.52 0.64 2.96 -1.26 -5.00 118.68 116.58 1yup s LEU 10 Ca 0.05 1.01 -0.16 0.00 -0.22 0.00 0.00 54.13 54.81 1yup s LEU 10 Cb -0.02 -3.17 0.11 0.00 0.50 0.00 0.00 46.19 43.61 1yup s LEU 10 CO 0.19 -0.51 0.47 -0.62 -1.32 0.00 0.00 176.35 174.55 1yup s ASP 11 N 1.35 6.17 0.46 3.68 2.15 -1.26 -4.90 116.67 124.33 1yup s ASP 11 Ca 0.34 -1.65 0.13 0.00 0.43 0.00 0.00 52.55 51.81 1yup s ASP 11 Cb -0.15 -2.20 1.04 0.00 -0.30 0.00 0.00 42.92 41.31 1yup s ASP 11 CO 0.07 -0.79 2.05 0.58 -0.17 0.00 0.00 175.17 176.91 1yup h VAL 12 N 5.85 1.09 -0.76 1.11 2.07 -1.95 -2.53 116.25 121.13 1yup h VAL 12 Ca -0.29 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1yup h VAL 12 Cb 1.10 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1yup h VAL 12 CO 0.99 0.11 0.26 1.56 0.02 0.00 0.00 177.57 180.51 1yup h GLN 13 N 0.11 1.16 0.00 1.57 1.08 -1.94 -2.78 115.11 114.31 1yup h GLN 13 Ca 0.03 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1yup h GLN 13 Cb 0.16 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1yup h GLN 13 CO 0.01 0.97 0.00 0.87 -0.95 0.00 0.00 178.83 179.72 1yup h LYS 14 N 1.12 0.00 -0.38 1.46 1.79 -1.89 -2.61 116.57 116.07 1yup h LYS 14 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1yup h LYS 14 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1yup h LYS 14 CO -0.01 0.00 0.00 1.33 -1.08 0.00 0.00 179.45 179.69 1yup n VAL 15 N -2.81 0.52 -2.14 0.50 0.24 -1.05 -4.84 118.33 108.75 1yup n VAL 15 Ca 0.01 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.34 61.50 1yup n VAL 15 Cb 0.30 0.14 0.01 0.00 -1.47 0.00 0.00 33.84 32.82 1yup n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yup s ALA 16 N -1.59 2.76 0.00 2.33 0.00 -0.99 -4.63 121.76 119.65 1yup s ALA 16 Ca 0.22 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1yup s ALA 16 Cb 0.12 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1yup s ALA 16 CO 0.14 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1yup n GLY 17 N 0.41 0.01 3.70 0.00 0.00 0.57 -4.94 105.19 104.95 1yup n GLY 17 Ca 0.11 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1yup n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yup s THR 18 N 0.00 4.86 0.21 2.61 2.01 -1.26 -1.11 115.64 122.97 1yup s THR 18 Ca 0.00 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.00 1yup s THR 18 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1yup s THR 18 CO 0.00 0.12 0.05 0.26 -0.69 0.00 0.00 174.62 174.36 1yup s TRP 19 N 1.30 1.37 0.01 4.92 0.52 -0.79 -4.57 118.94 121.70 1yup s TRP 19 Ca 0.49 -1.10 0.01 0.00 0.02 0.00 0.00 56.10 55.52 1yup s TRP 19 Cb -0.20 -0.79 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 1yup s TRP 19 CO 0.24 -0.27 -0.03 0.71 0.02 0.00 0.00 176.95 177.61 1yup s TYR 20 N -3.71 0.30 -0.64 -1.98 1.51 -0.12 -4.19 117.35 108.52 1yup s TYR 20 Ca 0.31 -0.22 -0.26 0.00 -1.01 0.00 0.00 57.07 55.88 1yup s TYR 20 Cb 0.07 -0.19 0.04 0.00 -0.11 0.00 0.00 41.96 41.76 1yup s TYR 20 CO 0.09 -0.06 1.14 -1.12 -1.11 0.00 0.00 175.55 174.49 1yup s SER 21 N -0.61 6.29 0.12 2.29 0.01 -1.25 -1.22 113.70 119.32 1yup s SER 21 Ca -0.05 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 56.83 1yup s SER 21 Cb -0.04 -2.51 -0.12 0.00 0.21 0.00 0.00 66.02 63.55 1yup s SER 21 CO -0.00 -1.55 1.28 0.25 0.41 0.00 0.00 173.24 173.63 1yup h LEU 22 N 12.05 0.60 -7.61 2.44 6.46 -1.55 -3.45 115.31 124.25 1yup h LEU 22 Ca -0.27 -0.48 -0.06 0.00 -0.12 0.00 0.00 57.88 56.95 1yup h LEU 22 Cb 1.06 -0.18 -0.13 0.00 -0.73 0.00 0.00 40.66 40.68 1yup h LEU 22 CO 1.20 1.28 -0.15 0.00 -0.62 0.00 0.00 178.44 180.15 1yup s ALA 23 N -3.27 -0.66 -0.17 1.25 0.00 -1.16 -1.11 121.76 116.65 1yup s ALA 23 Ca -0.06 -0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.34 1yup s ALA 23 Cb 0.08 0.69 0.06 0.00 0.00 0.00 0.00 23.12 23.96 1yup s ALA 23 CO 0.88 -0.64 0.65 0.00 0.00 0.00 0.00 175.76 176.65 1yup s MET 24 N -3.85 0.87 0.05 0.00 0.23 -0.54 -1.71 119.30 114.35 1yup s MET 24 Ca 0.06 0.63 0.01 0.00 -1.03 0.00 0.00 55.69 55.36 1yup s MET 24 Cb 0.02 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1yup s MET 24 CO -0.09 -0.18 -0.05 0.00 -2.03 0.00 0.00 175.02 172.67 1yup s ALA 25 N -0.27 0.51 0.08 3.16 0.00 0.47 -1.02 121.76 124.69 1yup s ALA 25 Ca -0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1yup s ALA 25 Cb -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1yup s ALA 25 CO 0.04 -0.20 0.17 0.00 0.00 0.00 0.00 175.76 175.77 1yup s ALA 26 N -2.55 -0.16 -0.60 0.00 0.00 -0.89 -0.06 121.76 117.50 1yup s ALA 26 Ca -0.03 -0.66 0.25 0.00 0.00 0.00 0.00 51.96 51.52 1yup s ALA 26 Cb -0.02 0.45 0.49 0.00 0.00 0.00 0.00 23.12 24.04 1yup s ALA 26 CO -0.04 -0.48 1.53 0.66 0.00 0.00 0.00 175.76 177.43 1yup h SER 27 N 2.84 0.00 -3.24 0.00 4.64 -1.45 0.13 113.55 116.47 1yup h SER 27 Ca -0.34 -0.07 -0.62 0.00 -0.47 0.00 0.00 61.79 60.29 1yup h SER 27 Cb 1.19 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.92 1yup h SER 27 CO 0.57 0.03 -0.83 -0.62 -0.87 0.00 0.00 176.83 175.11 1yup s ASP 28 N -4.83 3.08 0.24 4.97 -1.08 -1.26 -4.23 116.67 113.56 1yup s ASP 28 Ca 0.07 -0.69 -0.06 0.00 -0.52 0.00 0.00 52.55 51.35 1yup s ASP 28 Cb 0.11 -1.27 0.43 0.00 -1.46 0.00 0.00 42.92 40.74 1yup s ASP 28 CO 0.67 -0.08 1.66 0.40 0.52 0.00 0.00 175.17 178.34 1yup h ILE 29 N 6.18 0.43 0.00 4.11 2.04 -1.83 -1.84 117.51 126.59 1yup h ILE 29 Ca -0.35 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1yup h ILE 29 Cb 1.12 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1yup h ILE 29 CO 0.53 0.03 0.00 -1.54 0.00 0.00 0.00 178.15 177.17 1yup n SER 30 N -5.26 0.12 0.12 1.72 3.41 -1.26 0.11 113.62 112.58 1yup n SER 30 Ca 0.13 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 1yup n SER 30 Cb 0.46 -0.57 0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1yup n SER 30 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1yup h LEU 31 N 0.00 0.00 -0.07 1.04 3.38 -1.73 -3.36 115.31 114.57 1yup h LEU 31 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1yup h LEU 31 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1yup h LEU 31 CO 0.00 0.02 0.00 -0.11 0.09 0.00 0.00 178.44 178.44 1yup n LEU 32 N -2.65 0.07 -4.52 1.67 7.94 -0.59 -1.13 117.00 117.80 1yup n LEU 32 Ca 0.02 -0.49 -0.42 0.00 -1.11 0.00 0.00 56.01 54.00 1yup n LEU 32 Cb 0.52 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 1yup n LEU 32 CO 0.38 0.02 0.90 -0.62 -1.11 0.00 0.00 177.39 176.96 1yup s ASP 33 N -0.83 6.27 0.00 1.96 2.15 0.12 -4.74 116.67 121.60 1yup s ASP 33 Ca 0.00 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.51 1yup s ASP 33 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1yup s ASP 33 CO 0.00 -1.46 0.00 0.00 -0.17 0.00 0.00 175.17 173.54 1yup n ALA 34 N 8.12 0.00 0.26 3.66 0.00 -1.26 -4.44 120.51 126.85 1yup n ALA 34 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.61 1yup n ALA 34 Cb 0.48 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.58 1yup n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1yup h GLN 35 N 0.00 0.00 -0.53 0.00 1.08 -1.98 -2.47 115.11 111.20 1yup h GLN 35 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yup h GLN 35 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1yup h GLN 35 CO 0.00 0.08 0.00 -1.13 -0.95 0.00 0.00 178.83 176.83 1yup n SER 36 N -3.25 5.28 -4.76 1.46 3.41 -1.26 -4.41 113.62 110.09 1yup n SER 36 Ca -0.00 -2.87 -0.39 0.00 -0.26 0.00 0.00 58.87 55.35 1yup n SER 36 Cb 0.32 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.64 1yup n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yup s ALA 37 N -2.63 3.05 0.53 7.33 0.00 -0.93 -4.88 121.76 124.23 1yup s ALA 37 Ca 0.52 1.26 0.29 0.00 0.00 0.00 0.00 51.96 54.02 1yup s ALA 37 Cb 0.39 -3.52 1.43 0.00 0.00 0.00 0.00 23.12 21.43 1yup s ALA 37 CO 0.16 -1.06 1.93 -1.35 0.00 0.00 0.00 175.76 175.45 1yup h PRO 38 N 2.06 0.01 -0.21 0.00 0.10 -1.79 -2.34 132.00 129.84 1yup h PRO 38 Ca -0.50 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.60 1yup h PRO 38 Cb 1.27 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.37 1yup h PRO 38 CO 0.60 0.01 0.00 1.28 0.10 0.00 0.00 178.00 179.99 1yup n LEU 39 N -4.32 2.78 -4.57 2.35 4.77 -0.28 -4.81 117.00 112.92 1yup n LEU 39 Ca 0.15 -2.25 -0.36 0.00 -0.03 0.00 0.00 56.01 53.52 1yup n LEU 39 Cb 0.81 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1yup n LEU 39 CO 0.38 0.66 1.65 -0.60 -1.33 0.00 0.00 177.39 178.15 1yup s ARG 40 N -1.45 3.27 -0.04 3.23 6.06 -0.88 -4.90 118.95 124.24 1yup s ARG 40 Ca 0.21 -1.34 0.03 0.00 -2.50 0.00 0.00 55.73 52.13 1yup s ARG 40 Cb 0.14 -5.35 0.00 0.00 0.06 0.00 0.00 34.95 29.80 1yup s ARG 40 CO 0.09 -2.91 -0.14 0.14 -2.50 0.00 0.00 175.30 169.98 1yup s VAL 41 N 7.20 1.16 -0.31 7.11 -7.23 -1.26 -4.57 120.40 122.49 1yup s VAL 41 Ca 0.59 -0.55 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 1yup s VAL 41 Cb 0.00 -1.01 0.05 0.00 0.56 0.00 0.00 36.38 35.98 1yup s VAL 41 CO 0.05 0.34 0.04 -0.31 -0.31 0.00 0.00 175.10 174.91 1yup s TYR 42 N 0.18 3.27 0.21 2.82 1.51 -0.83 -4.95 117.35 119.55 1yup s TYR 42 Ca -0.05 -1.74 -0.31 0.00 -1.01 0.00 0.00 57.07 53.96 1yup s TYR 42 Cb -0.11 -2.18 -0.10 0.00 -0.11 0.00 0.00 41.96 39.45 1yup s TYR 42 CO 0.02 -0.78 1.52 0.08 -1.11 0.00 0.00 175.55 175.28 1yup s VAL 43 N 1.30 2.59 -0.25 0.71 1.01 -1.26 -1.47 120.40 123.02 1yup s VAL 43 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1yup s VAL 43 Cb -0.20 -3.29 -0.16 0.00 0.00 0.00 0.00 36.38 32.73 1yup s VAL 43 CO 0.00 0.05 -0.24 -0.62 0.00 0.00 0.00 175.10 174.30 1yup n GLU 44 N 3.22 0.62 -3.61 2.72 1.02 0.66 -3.75 120.64 121.52 1yup n GLU 44 Ca 0.11 0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.26 1yup n GLU 44 Cb 0.39 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1yup n GLU 44 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1yup s GLU 45 N -2.50 0.86 -0.17 3.49 2.12 -0.95 -1.88 118.70 119.66 1yup s GLU 45 Ca -0.34 0.88 -0.01 0.00 0.36 0.00 0.00 54.97 55.86 1yup s GLU 45 Cb 0.09 0.42 -0.00 0.00 0.26 0.00 0.00 34.13 34.90 1yup s GLU 45 CO 0.57 -0.13 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.52 1yup s LEU 46 N 0.15 2.53 -0.29 2.70 1.02 -0.27 -0.12 118.68 124.41 1yup s LEU 46 Ca -0.01 -0.47 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 1yup s LEU 46 Cb -0.04 -1.59 0.09 0.00 0.02 0.00 0.00 46.19 44.67 1yup s LEU 46 CO 0.02 0.06 0.06 -0.54 0.02 0.00 0.00 176.35 175.96 1yup s LYS 47 N 1.00 0.97 0.68 1.70 1.02 0.53 -0.31 119.74 125.31 1yup s LYS 47 Ca -0.02 -1.11 -0.15 0.00 0.02 0.00 0.00 55.97 54.72 1yup s LYS 47 Cb -0.15 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1yup s LYS 47 CO -0.02 -0.88 1.14 -1.25 -0.92 0.00 0.00 175.35 173.42 1yup s PRO 48 N 1.50 2.61 0.29 -1.68 0.04 -1.26 -0.63 135.00 135.86 1yup s PRO 48 Ca 0.06 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.68 1yup s PRO 48 Cb -0.18 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1yup s PRO 48 CO -0.17 -1.42 0.36 0.95 0.04 0.00 0.00 177.00 176.76 1yup s THR 49 N -2.20 4.51 0.28 1.26 -4.23 -0.24 -4.83 115.64 110.18 1yup s THR 49 Ca 0.70 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1yup s THR 49 Cb -0.23 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1yup s THR 49 CO 0.42 -0.25 1.91 -0.65 -0.54 0.00 0.00 174.62 175.50 1yup h PRO 50 N 1.13 1.10 -0.00 3.99 0.11 -1.97 -2.54 132.00 133.83 1yup h PRO 50 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1yup h PRO 50 Cb 1.24 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1yup h PRO 50 CO 0.58 0.73 0.00 0.41 -0.21 0.00 0.00 178.00 179.51 1yup n GLY 51 N -1.38 -0.99 0.00 -0.55 0.00 -1.26 -4.91 105.19 96.09 1yup n GLY 51 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1yup n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yup n GLY 52 N 0.94 0.65 3.82 -0.02 0.00 -0.96 -5.04 105.19 104.58 1yup n GLY 52 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1yup n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yup s ASP 53 N -1.97 4.26 -0.18 1.61 1.01 -1.26 -4.70 116.67 115.44 1yup s ASP 53 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.34 1yup s ASP 53 Cb 0.00 -1.73 0.04 0.00 1.01 0.00 0.00 42.92 42.24 1yup s ASP 53 CO 0.00 -2.09 -0.08 -0.22 0.21 0.00 0.00 175.17 172.99 1yup s LEU 54 N -5.79 1.96 -0.15 1.23 2.96 -0.21 -1.08 118.68 117.60 1yup s LEU 54 Ca 0.62 -0.79 -0.24 0.00 -0.22 0.00 0.00 54.13 53.50 1yup s LEU 54 Cb -0.14 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1yup s LEU 54 CO 0.53 -0.17 0.75 -0.70 -1.32 0.00 0.00 176.35 175.44 1yup s GLU 55 N 1.51 4.31 -0.28 1.98 2.12 0.20 -1.08 118.70 127.45 1yup s GLU 55 Ca -0.00 0.88 -0.08 0.00 0.36 0.00 0.00 54.97 56.13 1yup s GLU 55 Cb -0.16 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1yup s GLU 55 CO -0.08 -0.21 0.09 0.42 -0.54 0.00 0.00 175.26 174.94 1yup s ILE 56 N 1.77 4.23 -0.28 -3.70 1.01 -0.33 -0.35 121.20 123.54 1yup s ILE 56 Ca 0.36 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1yup s ILE 56 Cb -0.17 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1yup s ILE 56 CO 0.13 0.18 0.17 -0.76 0.00 0.00 0.00 174.94 174.66 1yup s LEU 57 N 1.57 3.97 0.32 2.97 1.02 0.83 -1.33 118.68 128.04 1yup s LEU 57 Ca 0.05 -0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.07 1yup s LEU 57 Cb -0.16 -2.07 -0.05 0.00 0.02 0.00 0.00 46.19 43.93 1yup s LEU 57 CO 0.04 -0.09 0.10 -1.48 0.02 0.00 0.00 176.35 174.95 1yup s LEU 58 N 1.71 1.89 0.08 1.79 0.05 -0.48 -0.24 118.68 123.48 1yup s LEU 58 Ca 0.07 -1.48 0.07 0.00 0.05 0.00 0.00 54.13 52.83 1yup s LEU 58 Cb -0.16 -0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 43.84 1yup s LEU 58 CO 0.09 -0.77 -0.11 -1.58 -0.55 0.00 0.00 176.35 173.42 1yup s GLN 59 N -3.87 2.15 -0.16 1.48 2.00 -0.54 -1.97 119.66 118.74 1yup s GLN 59 Ca 0.34 -0.99 -0.18 0.00 -2.00 0.00 0.00 55.36 52.53 1yup s GLN 59 Cb 0.06 -2.30 0.05 0.00 0.80 0.00 0.00 33.01 31.62 1yup s GLN 59 CO 0.15 0.52 0.49 0.21 -0.50 0.00 0.00 175.29 176.16 1yup s LYS 60 N -1.98 0.61 -0.06 1.67 2.20 -0.16 -1.97 119.74 120.05 1yup s LYS 60 Ca 0.20 0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 1yup s LYS 60 Cb -0.11 0.29 -0.07 0.00 -1.51 0.00 0.00 37.83 36.43 1yup s LYS 60 CO 0.11 -0.09 2.04 -1.58 -0.36 0.00 0.00 175.35 175.48 1yup s TRP 61 N 0.06 1.26 -0.04 4.03 0.52 -1.26 -1.53 118.94 121.98 1yup s TRP 61 Ca -0.02 -0.09 -0.06 0.00 0.02 0.00 0.00 56.10 55.96 1yup s TRP 61 Cb -0.03 -4.13 -0.02 0.00 -1.15 0.00 0.00 33.47 28.14 1yup s TRP 61 CO 0.01 -4.99 -0.11 0.39 0.02 0.00 0.00 176.95 172.27 1yup n GLU 62 N 7.96 0.17 -2.79 4.98 1.02 -0.99 -4.88 120.64 126.10 1yup n GLU 62 Ca 0.23 0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 57.20 1yup n GLU 62 Cb 0.43 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 31.12 1yup n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1yup n ASN 63 N -3.27 3.74 0.00 1.62 3.02 -1.26 -4.84 115.26 114.27 1yup n ASN 63 Ca -0.04 -3.50 0.00 0.00 -0.03 0.00 0.00 54.58 51.00 1yup n ASN 63 Cb 0.16 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1yup n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yup n GLY 64 N -0.23 1.26 3.47 7.41 0.00 -1.26 -5.02 105.19 110.81 1yup n GLY 64 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1yup n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yup s LYS 65 N -0.25 1.66 -0.07 1.61 0.00 -1.26 -5.11 119.74 116.32 1yup s LYS 65 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 55.97 53.91 1yup s LYS 65 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 37.83 36.10 1yup s LYS 65 CO 0.00 0.30 0.97 0.00 0.00 0.00 0.00 175.35 176.62 1yup s ALA 67 N 1.61 0.63 0.12 0.00 0.00 -0.58 -4.95 121.76 118.59 1yup s ALA 67 Ca 0.48 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1yup s ALA 67 Cb -0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 1yup s ALA 67 CO 0.21 0.08 0.98 -1.14 0.00 0.00 0.00 175.76 175.89 1yup s GLN 68 N -0.84 4.69 -0.02 0.00 0.74 -1.26 -0.99 119.66 121.98 1yup s GLN 68 Ca -0.02 1.49 0.06 0.00 0.05 0.00 0.00 55.36 56.93 1yup s GLN 68 Cb -0.06 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 1yup s GLN 68 CO 0.00 0.20 -0.19 0.15 -0.55 0.00 0.00 175.29 174.90 1yup s LYS 69 N -0.04 1.59 -0.00 1.67 -0.14 -0.83 -4.95 119.74 117.03 1yup s LYS 69 Ca 0.47 -0.69 0.04 0.00 -1.36 0.00 0.00 55.97 54.44 1yup s LYS 69 Cb -0.24 -1.52 -0.03 0.00 -1.68 0.00 0.00 37.83 34.36 1yup s LYS 69 CO 0.30 0.40 -0.12 0.15 -0.76 0.00 0.00 175.35 175.33 1yup s LYS 70 N -0.42 2.40 -0.04 1.68 1.02 -1.26 -1.38 119.74 121.73 1yup s LYS 70 Ca 0.07 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1yup s LYS 70 Cb -0.08 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 1yup s LYS 70 CO -0.01 0.59 -0.10 0.42 -0.92 0.00 0.00 175.35 175.33 1yup s ILE 71 N -0.89 0.93 -0.24 2.17 1.01 -0.44 -4.99 121.20 118.75 1yup s ILE 71 Ca 0.14 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 1yup s ILE 71 Cb -0.11 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1yup s ILE 71 CO 0.04 0.29 0.53 -0.51 0.00 0.00 0.00 174.94 175.30 1yup s ILE 72 N 0.42 5.06 -0.35 2.92 1.10 -1.26 -1.18 121.20 127.92 1yup s ILE 72 Ca -0.08 0.94 -0.12 0.00 -0.51 0.00 0.00 60.65 60.88 1yup s ILE 72 Cb -0.12 -3.85 0.00 0.00 0.15 0.00 0.00 42.46 38.64 1yup s ILE 72 CO 0.02 0.10 0.21 0.00 -2.11 0.00 0.00 174.94 173.16 1yup s ALA 73 N 2.17 3.38 -0.03 1.50 0.00 -0.24 -4.41 121.76 124.12 1yup s ALA 73 Ca 0.23 -1.50 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 1yup s ALA 73 Cb -0.16 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1yup s ALA 73 CO 0.09 -1.10 0.41 -1.21 0.00 0.00 0.00 175.76 173.96 1yup s GLU 74 N 1.65 4.02 0.76 0.00 2.02 0.13 -1.05 118.70 126.24 1yup s GLU 74 Ca 0.05 0.40 -0.11 0.00 0.02 0.00 0.00 54.97 55.32 1yup s GLU 74 Cb -0.18 -3.28 0.05 0.00 0.10 0.00 0.00 34.13 30.83 1yup s GLU 74 CO 0.08 0.56 1.10 -1.59 0.02 0.00 0.00 175.26 175.43 1yup s LYS 75 N -0.65 2.25 0.35 1.61 -2.85 -1.26 -0.38 119.74 118.80 1yup s LYS 75 Ca 0.24 1.25 0.05 0.00 -1.00 0.00 0.00 55.97 56.51 1yup s LYS 75 Cb -0.16 -1.89 -0.02 0.00 -2.06 0.00 0.00 37.83 33.70 1yup s LYS 75 CO 0.12 -1.66 0.19 0.25 0.10 0.00 0.00 175.35 174.36 1yup n THR 76 N -3.38 0.00 -0.09 3.79 -2.24 -1.21 -4.74 114.28 106.41 1yup n THR 76 Ca 0.10 -2.25 0.23 0.00 -2.27 0.00 0.00 64.05 59.86 1yup n THR 76 Cb 0.53 0.95 0.67 0.00 -2.10 0.00 0.00 70.33 70.38 1yup n THR 76 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1yup h GLU 77 N 0.00 0.06 -5.18 -0.78 4.39 -1.98 -3.41 114.58 107.69 1yup h GLU 77 Ca -0.26 -0.00 -0.63 0.00 0.34 0.00 0.00 59.36 58.81 1yup h GLU 77 Cb 1.13 -0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.62 1yup h GLU 77 CO 0.40 0.04 -0.19 0.42 -1.16 0.00 0.00 179.01 178.52 1yup s ILE 78 N -5.06 5.15 0.06 3.13 -1.09 -1.26 -5.01 121.20 117.11 1yup s ILE 78 Ca -0.05 0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.82 1yup s ILE 78 Cb 0.21 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1yup s ILE 78 CO 0.75 0.10 0.67 -2.65 -1.23 0.00 0.00 174.94 172.58 1yup n PRO 79 N 5.40 -0.16 -1.26 2.79 -0.02 -1.26 -1.62 135.00 138.87 1yup n PRO 79 Ca -0.08 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1yup n PRO 79 Cb 0.50 -0.98 0.13 0.00 -0.02 0.00 0.00 33.50 33.14 1yup n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yup n ALA 80 N -3.35 5.19 -3.35 3.55 0.00 -1.26 -4.76 120.51 116.54 1yup n ALA 80 Ca 0.01 -3.33 -0.33 0.00 0.00 0.00 0.00 53.44 49.79 1yup n ALA 80 Cb 0.09 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.36 1yup n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yup s VAL 81 N -3.93 2.54 0.13 0.00 1.01 -0.64 -1.79 120.40 117.72 1yup s VAL 81 Ca 0.53 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1yup s VAL 81 Cb 0.45 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1yup s VAL 81 CO 0.02 0.53 -0.21 -0.36 0.00 0.00 0.00 175.10 175.08 1yup s PHE 82 N 0.61 1.88 -0.14 5.22 0.40 -0.16 -3.28 117.98 122.52 1yup s PHE 82 Ca -0.10 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.73 1yup s PHE 82 Cb -0.16 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1yup s PHE 82 CO 0.03 0.27 0.13 0.15 0.70 0.00 0.00 175.22 176.50 1yup s LYS 83 N -2.20 3.58 0.14 0.44 1.02 0.49 -1.47 119.74 121.75 1yup s LYS 83 Ca 0.10 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.96 1yup s LYS 83 Cb -0.09 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1yup s LYS 83 CO 0.05 0.68 -0.05 0.96 -0.92 0.00 0.00 175.35 176.07 1yup s ILE 84 N -0.73 0.84 -0.46 2.17 -4.36 -1.03 0.20 121.20 117.83 1yup s ILE 84 Ca 0.13 -1.99 0.09 0.00 -0.26 0.00 0.00 60.65 58.62 1yup s ILE 84 Cb -0.12 -1.91 0.33 0.00 1.25 0.00 0.00 42.46 42.01 1yup s ILE 84 CO 0.03 -0.68 0.78 -0.67 0.24 0.00 0.00 174.94 174.64 1yup n ASP 85 N -0.17 2.12 -3.88 4.36 2.03 -1.26 -4.15 116.55 115.60 1yup n ASP 85 Ca -0.09 -3.22 -0.09 0.00 0.52 0.00 0.00 54.79 51.91 1yup n ASP 85 Cb 0.62 -0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 40.34 1yup n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yup s ALA 86 N -2.61 -0.23 -1.82 -1.67 0.00 -1.15 -4.90 121.76 109.38 1yup s ALA 86 Ca 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1yup s ALA 86 Cb 0.29 0.74 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1yup s ALA 86 CO -0.10 -0.62 0.00 1.28 0.00 0.00 0.00 175.76 176.32 1yup n LEU 87 N -0.19 -1.51 -0.54 0.00 4.77 -1.26 -0.60 117.00 117.67 1yup n LEU 87 Ca -0.10 0.29 -0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1yup n LEU 87 Cb 0.63 -2.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.03 1yup n LEU 87 CO 0.22 -0.65 -0.06 0.59 -1.33 0.00 0.00 177.39 176.16 1yup n ASN 88 N -1.47 -4.50 -4.94 -1.43 3.02 -1.26 -4.96 115.26 99.72 1yup n ASN 88 Ca -0.20 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.23 1yup n ASN 88 Cb 0.64 -3.21 -0.03 0.00 -0.61 0.00 0.00 39.78 36.57 1yup n ASN 88 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1yup s GLU 89 N -2.21 3.44 0.00 3.52 0.41 0.23 -4.55 118.70 119.53 1yup s GLU 89 Ca 0.00 -0.57 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 1yup s GLU 89 Cb 0.00 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1yup s GLU 89 CO 0.00 0.53 0.59 0.27 -0.49 0.00 0.00 175.26 176.17 1yup n ASN 90 N -0.42 1.04 -3.80 -0.19 6.94 -0.47 -2.94 115.26 115.42 1yup n ASN 90 Ca -0.07 -1.34 -0.13 0.00 -0.02 0.00 0.00 54.58 53.02 1yup n ASN 90 Cb 0.54 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.86 1yup n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1yup s LYS 91 N -0.34 0.53 -0.07 -3.83 2.20 -0.12 -2.46 119.74 115.64 1yup s LYS 91 Ca 0.00 -0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1yup s LYS 91 Cb 0.00 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1yup s LYS 91 CO 0.00 -0.13 -0.10 0.08 -0.36 0.00 0.00 175.35 174.85 1yup s VAL 92 N -0.95 0.98 -0.27 4.02 1.01 -0.54 -1.86 120.40 122.79 1yup s VAL 92 Ca -0.10 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1yup s VAL 92 Cb -0.05 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.47 1yup s VAL 92 CO 0.02 0.33 -0.04 -0.76 0.00 0.00 0.00 175.10 174.66 1yup s LEU 93 N 0.90 3.28 -0.23 3.92 2.01 -0.06 -0.99 118.68 127.51 1yup s LEU 93 Ca -0.10 -1.49 -0.29 0.00 0.01 0.00 0.00 54.13 52.26 1yup s LEU 93 Cb -0.15 -1.37 0.00 0.00 0.01 0.00 0.00 46.19 44.69 1yup s LEU 93 CO 0.01 -0.27 1.12 -0.69 1.01 0.00 0.00 176.35 177.53 1yup s VAL 94 N 1.22 4.52 -0.01 -1.59 1.01 -0.74 -1.45 120.40 123.36 1yup s VAL 94 Ca -0.02 1.82 0.04 0.00 0.00 0.00 0.00 61.98 63.82 1yup s VAL 94 Cb -0.19 -4.24 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 1yup s VAL 94 CO -0.08 -0.23 0.80 -0.07 0.00 0.00 0.00 175.10 175.52 1yup h LEU 95 N 9.70 0.18 -7.00 3.92 4.07 -1.28 -1.62 115.31 123.28 1yup h LEU 95 Ca -0.21 -0.29 0.20 0.00 0.08 0.00 0.00 57.88 57.66 1yup h LEU 95 Cb 1.07 -0.06 -0.26 0.00 1.08 0.00 0.00 40.66 42.49 1yup h LEU 95 CO 0.99 1.25 0.85 -0.62 -1.08 0.00 0.00 178.44 179.83 1yup s ASP 96 N -6.60 -0.12 0.14 -0.43 2.15 -1.12 -3.70 116.67 106.99 1yup s ASP 96 Ca -0.07 0.13 -0.24 0.00 0.43 0.00 0.00 52.55 52.80 1yup s ASP 96 Cb 0.08 0.10 0.07 0.00 -0.30 0.00 0.00 42.92 42.87 1yup s ASP 96 CO 0.83 -0.11 0.67 0.28 -0.17 0.00 0.00 175.17 176.67 1yup s THR 97 N -1.03 0.00 -0.07 1.71 -1.32 -1.26 -0.36 115.64 113.31 1yup s THR 97 Ca 0.06 -0.09 0.10 0.00 -1.21 0.00 0.00 61.69 60.55 1yup s THR 97 Cb -0.01 -1.09 0.15 0.00 -1.51 0.00 0.00 72.50 70.04 1yup s THR 97 CO -0.06 0.00 1.07 -0.90 -2.21 0.00 0.00 174.62 172.52 1yup n ASP 98 N -0.36 2.08 0.00 8.08 5.75 -0.95 -5.02 116.55 126.12 1yup n ASP 98 Ca -0.14 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 1yup n ASP 98 Cb 0.64 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1yup n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1yup n TYR 99 N -0.96 0.00 0.09 2.11 4.01 -1.26 -4.31 117.16 116.85 1yup n TYR 99 Ca 0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.92 1yup n TYR 99 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 1yup n TYR 99 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1yup n LYS 100 N 0.00 0.61 0.04 -0.72 4.76 -1.26 -4.72 118.16 116.86 1yup n LYS 100 Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1yup n LYS 100 Cb 0.00 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 1yup n LYS 100 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1yup n LYS 101 N -2.67 0.00 -3.98 1.97 5.02 -1.26 -4.78 118.16 112.46 1yup n LYS 101 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 1yup n LYS 101 Cb 0.59 -0.39 -0.11 0.00 -0.02 0.00 0.00 35.03 35.09 1yup n LYS 101 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1yup s TYR 102 N -2.00 0.26 -0.02 2.13 1.13 -1.26 -1.45 117.35 116.13 1yup s TYR 102 Ca 0.00 -0.52 0.02 0.00 -1.41 0.00 0.00 57.07 55.16 1yup s TYR 102 Cb 0.00 -0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.68 1yup s TYR 102 CO 0.00 -0.19 -0.07 -1.17 -2.51 0.00 0.00 175.55 171.61 1yup s LEU 103 N -1.43 1.74 -0.07 -3.49 0.20 -0.34 -2.25 118.68 113.04 1yup s LEU 103 Ca -0.16 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.53 1yup s LEU 103 Cb -0.10 -0.46 -0.02 0.00 -0.43 0.00 0.00 46.19 45.17 1yup s LEU 103 CO -0.01 0.04 -0.13 -0.76 -0.29 0.00 0.00 176.35 175.20 1yup s LEU 104 N 0.27 2.81 0.16 -0.68 1.43 0.51 -0.22 118.68 122.96 1yup s LEU 104 Ca -0.04 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 1yup s LEU 104 Cb -0.08 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.56 1yup s LEU 104 CO 0.00 0.31 0.36 0.72 0.23 0.00 0.00 176.35 177.97 1yup s PHE 105 N -0.53 0.14 0.14 0.29 -0.71 -1.04 -0.90 117.98 115.38 1yup s PHE 105 Ca 0.07 -0.50 0.07 0.00 -1.04 0.00 0.00 56.93 55.53 1yup s PHE 105 Cb -0.12 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1yup s PHE 105 CO 0.02 -0.75 -0.15 0.00 -1.34 0.00 0.00 175.22 172.99 1yup s MET 107 N -2.90 0.88 0.17 0.00 0.23 0.17 -0.88 119.30 116.96 1yup s MET 107 Ca 0.13 -0.54 -0.23 0.00 -1.03 0.00 0.00 55.69 54.02 1yup s MET 107 Cb -0.04 -0.86 0.07 0.00 -1.53 0.00 0.00 34.83 32.47 1yup s MET 107 CO 0.04 0.22 0.61 -1.83 -2.03 0.00 0.00 175.02 172.04 1yup s GLU 108 N -0.64 1.31 -0.36 3.16 -1.05 -0.78 -1.46 118.70 118.88 1yup s GLU 108 Ca 0.02 -0.51 -0.13 0.00 -0.15 0.00 0.00 54.97 54.21 1yup s GLU 108 Cb -0.06 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1yup s GLU 108 CO 0.00 -0.58 0.24 1.21 0.95 0.00 0.00 175.26 177.09 1yup s ASN 109 N -2.76 5.95 0.32 0.83 3.84 -1.26 -0.95 114.94 120.91 1yup s ASN 109 Ca 0.02 -0.67 0.06 0.00 0.21 0.00 0.00 52.86 52.47 1yup s ASN 109 Cb -0.01 -2.11 0.88 0.00 -0.55 0.00 0.00 41.25 39.46 1yup s ASN 109 CO -0.11 -0.32 1.57 0.28 -2.79 0.00 0.00 177.10 175.73 1yup h SER 110 N 8.50 -0.33 0.04 -4.21 0.02 -1.94 -1.48 113.55 114.15 1yup h SER 110 Ca -0.29 0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1yup h SER 110 Cb 1.14 0.45 -0.04 0.00 0.14 0.00 0.00 62.40 64.09 1yup h SER 110 CO 0.67 -0.38 -0.41 0.00 -1.14 0.00 0.00 176.83 175.57 1yup h ALA 111 N 1.99 -0.86 -2.86 3.77 0.00 -1.99 -3.37 119.26 115.94 1yup h ALA 111 Ca 0.65 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.88 1yup h ALA 111 Cb 1.44 0.83 -0.40 0.00 0.00 0.00 0.00 17.79 19.65 1yup h ALA 111 CO -0.90 -0.98 -0.72 -2.00 0.00 0.00 0.00 179.25 174.65 1yup s GLU 112 N -5.07 1.79 0.14 0.00 2.56 -0.60 -4.99 118.70 112.54 1yup s GLU 112 Ca -0.12 -2.74 -0.21 0.00 0.00 0.00 0.00 54.97 51.90 1yup s GLU 112 Cb 0.05 -2.64 0.01 0.00 2.00 0.00 0.00 34.13 33.55 1yup s GLU 112 CO 0.46 -1.29 1.66 -1.35 -0.56 0.00 0.00 175.26 174.18 1yup h PRO 113 N 5.71 -0.14 0.00 4.30 0.11 -1.63 -2.56 132.00 137.80 1yup h PRO 113 Ca 0.15 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1yup h PRO 113 Cb 0.83 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1yup h PRO 113 CO 0.58 -0.09 -0.05 0.93 -0.21 0.00 0.00 178.00 179.15 1yup h GLU 114 N -0.14 0.00 -0.00 1.05 5.08 -1.94 0.78 114.58 119.40 1yup h GLU 114 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1yup h GLU 114 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1yup h GLU 114 CO -0.30 0.05 -0.01 1.04 -1.00 0.00 0.00 179.01 178.79 1yup n GLN 115 N -3.87 0.94 0.00 2.33 3.00 -0.98 -4.26 117.38 114.54 1yup n GLN 115 Ca -0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1yup n GLN 115 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1yup n GLN 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1yup n SER 116 N -0.90 0.30 -4.64 1.08 2.88 0.22 -4.80 113.62 107.77 1yup n SER 116 Ca 0.21 -0.02 -0.43 0.00 -1.33 0.00 0.00 58.87 57.29 1yup n SER 116 Cb 0.18 0.10 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 1yup n SER 116 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yup s LEU 117 N -0.27 3.93 0.04 2.46 2.96 0.14 -4.28 118.68 123.66 1yup s LEU 117 Ca 0.00 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.97 1yup s LEU 117 Cb 0.00 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1yup s LEU 117 CO 0.00 -0.88 -0.17 0.00 -1.32 0.00 0.00 176.35 173.98 1yup s ALA 118 N 3.65 1.44 0.04 5.97 0.00 -0.54 -1.51 121.76 130.81 1yup s ALA 118 Ca 0.45 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1yup s ALA 118 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1yup s ALA 118 CO 0.16 0.30 -0.11 0.00 0.00 0.00 0.00 175.76 176.11 1yup s GLN 120 N -1.29 1.04 -0.36 0.00 -0.21 -0.13 -0.40 119.66 118.32 1yup s GLN 120 Ca -0.03 -1.16 -0.06 0.00 0.02 0.00 0.00 55.36 54.13 1yup s GLN 120 Cb -0.08 -1.12 0.06 0.00 1.00 0.00 0.00 33.01 32.86 1yup s GLN 120 CO 0.01 0.24 0.13 0.00 -2.12 0.00 0.00 175.29 173.55 1yup s LEU 122 N 1.35 4.39 0.16 0.00 1.43 0.70 -1.30 118.68 125.41 1yup s LEU 122 Ca -0.00 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.13 1yup s LEU 122 Cb -0.21 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1yup s LEU 122 CO 0.01 0.20 -0.11 0.68 0.23 0.00 0.00 176.35 177.36 1yup s VAL 123 N -1.32 1.30 0.01 -1.59 -7.23 -0.36 -1.20 120.40 110.02 1yup s VAL 123 Ca 0.32 -2.10 0.07 0.00 -1.81 0.00 0.00 61.98 58.46 1yup s VAL 123 Cb -0.16 -1.91 -0.23 0.00 0.56 0.00 0.00 36.38 34.64 1yup s VAL 123 CO 0.17 -0.70 0.88 0.03 -0.31 0.00 0.00 175.10 175.17 1yup h ARG 124 N 2.72 0.06 -6.34 4.82 2.47 -1.50 -0.30 114.38 116.31 1yup h ARG 124 Ca -0.37 -0.10 -0.60 0.00 -1.26 0.00 0.00 59.98 57.65 1yup h ARG 124 Cb 1.20 0.04 -0.11 0.00 -1.65 0.00 0.00 29.97 29.44 1yup h ARG 124 CO 0.63 0.80 -0.67 0.95 0.56 0.00 0.00 179.97 182.25 1yup s THR 125 N -2.63 3.62 -1.46 2.04 -4.23 -1.26 -4.65 115.64 107.06 1yup s THR 125 Ca -0.05 -1.51 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1yup s THR 125 Cb 0.08 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1yup s THR 125 CO 0.83 -0.14 2.37 -0.81 -0.54 0.00 0.00 174.62 176.32 1yup n PRO 126 N -0.19 3.38 -3.82 3.99 -0.04 -1.26 -4.85 135.00 132.21 1yup n PRO 126 Ca -0.09 -2.75 -0.12 0.00 -0.04 0.00 0.00 63.50 60.49 1yup n PRO 126 Cb 0.56 -3.04 -0.10 0.00 -0.04 0.00 0.00 33.50 30.88 1yup n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yup s GLU 127 N 2.00 0.44 -0.75 0.54 2.02 -1.26 -4.75 118.70 116.94 1yup s GLU 127 Ca 0.52 -0.08 -0.27 0.00 0.02 0.00 0.00 54.97 55.16 1yup s GLU 127 Cb 0.15 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.60 1yup s GLU 127 CO -0.07 -0.10 1.31 0.54 0.02 0.00 0.00 175.26 176.96 1yup s VAL 128 N -0.80 3.72 -0.56 2.63 0.11 -1.26 -4.96 120.40 119.28 1yup s VAL 128 Ca -0.09 0.33 -0.27 0.00 -2.93 0.00 0.00 61.98 59.02 1yup s VAL 128 Cb -0.05 -4.90 0.03 0.00 -1.53 0.00 0.00 36.38 29.93 1yup s VAL 128 CO 0.02 -1.84 1.11 -0.62 -3.33 0.00 0.00 175.10 170.44 1yup s ASP 129 N 3.94 6.43 0.40 3.54 2.15 -1.26 -4.92 116.67 126.96 1yup s ASP 129 Ca 0.37 -0.00 0.07 0.00 0.43 0.00 0.00 52.55 53.41 1yup s ASP 129 Cb -0.08 -2.51 0.83 0.00 -0.30 0.00 0.00 42.92 40.85 1yup s ASP 129 CO 0.14 -1.38 2.03 0.44 -0.17 0.00 0.00 175.17 176.23 1yup h ASP 130 N 9.44 0.53 -0.09 -0.34 3.32 -2.00 -2.24 116.42 125.04 1yup h ASP 130 Ca -0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1yup h ASP 130 Cb 1.06 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1yup h ASP 130 CO 1.15 0.37 0.06 -0.08 -1.72 0.00 0.00 179.24 179.02 1yup h GLU 131 N 0.62 0.13 -0.88 3.56 4.81 -2.01 -2.30 114.58 118.50 1yup h GLU 131 Ca 0.20 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1yup h GLU 131 Cb 0.03 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1yup h GLU 131 CO -0.05 0.11 0.49 0.00 -0.73 0.00 0.00 179.01 178.83 1yup h ALA 132 N 1.01 1.13 -0.48 2.92 0.00 -1.85 -2.84 119.26 119.15 1yup h ALA 132 Ca 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1yup h ALA 132 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1yup h ALA 132 CO -0.01 0.63 -0.02 0.52 0.00 0.00 0.00 179.25 180.37 1yup h MET 133 N 1.23 0.81 -0.45 0.00 2.86 -1.26 -1.45 114.93 116.67 1yup h MET 133 Ca 0.31 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1yup h MET 133 Cb 0.01 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1yup h MET 133 CO -0.05 0.83 -0.09 1.49 1.06 0.00 0.00 176.91 180.15 1yup h GLU 134 N 0.75 0.84 -0.62 1.72 4.81 -1.27 -0.65 114.58 120.17 1yup h GLU 134 Ca 0.14 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 1yup h GLU 134 Cb 0.49 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1yup h GLU 134 CO 0.02 0.94 0.06 -0.22 -0.73 0.00 0.00 179.01 179.08 1yup h LYS 135 N 0.68 1.04 0.18 1.92 1.63 -1.31 -1.33 116.57 119.38 1yup h LYS 135 Ca 0.12 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1yup h LYS 135 Cb 0.62 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1yup h LYS 135 CO 0.04 0.98 -0.09 0.35 -3.45 0.00 0.00 179.45 177.29 1yup h PHE 136 N 0.97 -0.22 -0.90 1.91 3.57 -1.19 -2.18 116.94 118.89 1yup h PHE 136 Ca 0.18 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.92 1yup h PHE 136 Cb 0.48 0.07 -0.16 0.00 2.79 0.00 0.00 35.95 39.14 1yup h PHE 136 CO 0.03 -0.04 0.13 -0.44 -2.23 0.00 0.00 178.31 175.77 1yup h ASP 137 N -0.37 -0.22 0.08 0.41 5.19 -0.94 -0.46 116.42 120.11 1yup h ASP 137 Ca -0.02 0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1yup h ASP 137 Cb 0.29 0.36 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1yup h ASP 137 CO 0.04 -0.25 -0.04 0.11 -3.12 0.00 0.00 179.24 175.98 1yup h LYS 138 N 0.11 -0.11 -0.84 3.56 1.57 -1.00 -2.45 116.57 117.42 1yup h LYS 138 Ca 0.56 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.37 1yup h LYS 138 Cb 1.14 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 1yup h LYS 138 CO -0.76 0.05 0.55 0.00 -0.57 0.00 0.00 179.45 178.72 1yup h ALA 139 N 0.66 1.45 -0.56 3.86 0.00 -0.63 -2.64 119.26 121.39 1yup h ALA 139 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1yup h ALA 139 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1yup h ALA 139 CO 0.02 0.49 -0.03 -0.07 0.00 0.00 0.00 179.25 179.65 1yup h LEU 140 N 1.08 1.00 -1.68 0.00 4.07 -1.02 -3.17 115.31 115.59 1yup h LEU 140 Ca 0.32 -0.32 0.32 0.00 0.08 0.00 0.00 57.88 58.28 1yup h LEU 140 Cb -0.05 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.35 1yup h LEU 140 CO -0.08 1.08 0.77 0.50 -1.08 0.00 0.00 178.44 179.63 1yup h LYS 141 N 0.90 0.17 -0.59 1.13 3.11 -1.05 0.27 116.57 120.52 1yup h LYS 141 Ca 0.16 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 1yup h LYS 141 Cb 0.59 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1yup h LYS 141 CO 0.04 0.11 0.00 0.00 -2.81 0.00 0.00 179.45 176.79 1yup n ALA 142 N -2.62 2.39 -2.61 5.00 0.00 -1.20 -4.92 120.51 116.55 1yup n ALA 142 Ca 0.26 -1.18 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 1yup n ALA 142 Cb 1.10 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 1yup n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yup s LEU 143 N -1.19 3.20 -1.26 0.00 1.43 0.96 -4.74 118.68 117.09 1yup s LEU 143 Ca 0.44 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 1yup s LEU 143 Cb 0.24 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 1yup s LEU 143 CO 0.32 0.24 2.43 -0.81 0.23 0.00 0.00 176.35 178.76 1yup n PRO 144 N 1.18 2.76 -2.82 1.29 -0.04 -1.26 -4.93 135.00 131.17 1yup n PRO 144 Ca -0.14 -1.98 -0.31 0.00 -0.04 0.00 0.00 63.50 61.02 1yup n PRO 144 Cb 0.52 -2.79 -0.04 0.00 -0.04 0.00 0.00 33.50 31.16 1yup n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1yup s MET 145 N 3.11 3.88 0.00 0.54 -1.94 -1.26 -4.24 119.30 119.38 1yup s MET 145 Ca 0.55 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 55.16 1yup s MET 145 Cb 0.14 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1yup s MET 145 CO -0.03 -0.05 0.01 0.72 -0.01 0.00 0.00 175.02 175.66 1yup n HIS 146 N -1.15 0.00 -3.99 -0.03 8.25 -0.02 -4.90 115.22 113.37 1yup n HIS 146 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 1yup n HIS 146 Cb 0.54 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.54 1yup n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1yup s ILE 147 N -0.01 0.12 -0.16 1.59 2.07 -0.86 -4.69 121.20 119.26 1yup s ILE 147 Ca 0.00 -1.03 -0.14 0.00 -1.41 0.00 0.00 60.65 58.07 1yup s ILE 147 Cb 0.00 -0.43 0.04 0.00 0.13 0.00 0.00 42.46 42.20 1yup s ILE 147 CO 0.00 -0.57 0.41 -0.13 -1.91 0.00 0.00 174.94 172.75 1yup s ARG 148 N -1.79 0.47 0.00 3.50 0.52 -1.26 -2.10 118.95 118.29 1yup s ARG 148 Ca -0.13 0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 55.68 1yup s ARG 148 Cb -0.08 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.59 1yup s ARG 148 CO -0.02 -0.07 0.00 -0.51 0.02 0.00 0.00 175.30 174.72 1yup s LEU 149 N 0.40 2.04 -0.04 2.53 1.43 -0.19 -5.00 118.68 119.84 1yup s LEU 149 Ca -0.01 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1yup s LEU 149 Cb -0.04 0.09 0.01 0.00 0.03 0.00 0.00 46.19 46.28 1yup s LEU 149 CO -0.01 -0.12 0.17 -0.94 0.23 0.00 0.00 176.35 175.68 1yup s SER 150 N -0.56 -0.12 0.11 2.29 1.04 -1.26 -1.47 113.70 113.73 1yup s SER 150 Ca -0.06 0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.60 1yup s SER 150 Cb -0.04 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1yup s SER 150 CO -0.00 -0.19 -0.12 -0.36 0.98 0.00 0.00 173.24 173.55 1yup s PHE 151 N -0.48 2.69 0.79 5.02 0.08 -0.27 -5.00 117.98 120.82 1yup s PHE 151 Ca -0.06 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 1yup s PHE 151 Cb -0.04 -1.41 0.15 0.00 -0.57 0.00 0.00 43.02 41.15 1yup s PHE 151 CO 0.01 0.42 1.08 0.54 -0.10 0.00 0.00 175.22 177.17 1yup s ASN 152 N -2.20 4.00 0.25 1.36 2.20 -1.26 -4.89 114.94 114.40 1yup s ASN 152 Ca 0.21 -0.24 -0.05 0.00 -0.94 0.00 0.00 52.86 51.83 1yup s ASN 152 Cb -0.11 -0.03 0.29 0.00 -2.00 0.00 0.00 41.25 39.40 1yup s ASN 152 CO 0.13 -2.11 1.89 1.57 -2.94 0.00 0.00 177.10 175.64 1yup h PRO 153 N -0.82 1.20 -0.78 3.55 0.16 -1.96 -0.84 132.00 132.51 1yup h PRO 153 Ca -0.38 -0.12 0.07 0.00 0.16 0.00 0.00 66.00 65.73 1yup h PRO 153 Cb 1.26 -0.25 -0.06 0.00 0.16 0.00 0.00 31.00 32.11 1yup h PRO 153 CO 0.39 0.86 0.46 1.15 0.16 0.00 0.00 178.00 181.01 1yup h THR 154 N 1.22 0.99 0.01 1.57 2.02 -1.95 -2.54 112.91 114.23 1yup h THR 154 Ca 0.31 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 67.01 1yup h THR 154 Cb -0.02 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1yup h THR 154 CO -0.05 0.15 -0.91 1.56 0.37 0.00 0.00 175.52 176.64 1yup h GLN 155 N 0.83 0.07 -0.04 6.66 4.20 -1.70 -2.90 115.11 122.24 1yup h GLN 155 Ca 0.35 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.87 1yup h GLN 155 Cb 0.21 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1yup h GLN 155 CO -0.19 0.92 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.36 1yup h LEU 156 N 0.03 0.10 0.00 1.46 3.38 -0.84 -1.89 115.31 117.55 1yup h LEU 156 Ca -0.03 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1yup h LEU 156 Cb 1.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1yup h LEU 156 CO 0.13 0.55 -0.45 -0.33 0.09 0.00 0.00 178.44 178.42 1yup h GLU 157 N 0.08 0.00 -2.21 1.13 5.08 -1.44 -3.33 114.58 113.88 1yup h GLU 157 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1yup h GLU 157 Cb 0.84 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.68 1yup h GLU 157 CO 0.06 0.25 -0.58 0.39 -1.00 0.00 0.00 179.01 178.13 1yup n GLU 158 N -3.09 3.34 -0.09 2.33 1.02 -1.05 -5.00 120.64 118.10 1yup n GLU 158 Ca 0.01 -4.82 -0.04 0.00 -0.02 0.00 0.00 57.16 52.30 1yup n GLU 158 Cb 0.65 -2.25 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 1yup n GLU 158 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1yup h GLN 159 N 2.98 -0.05 -0.00 3.49 4.20 -1.46 -3.45 115.11 120.83 1yup h GLN 159 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1yup h GLN 159 Cb 0.53 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1yup h GLN 159 CO 0.84 -0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.97