#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yup s VAL 3 N 0.00 0.07 -0.07 9.51 0.11 -1.26 -4.84 120.40 123.91 1yup s VAL 3 Ca 0.00 -0.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.55 1yup s VAL 3 Cb 0.00 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1yup s VAL 3 CO 0.00 -0.30 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.40 1yup s THR 4 N -1.73 1.61 0.18 5.04 2.01 -1.26 -4.96 115.64 116.53 1yup s THR 4 Ca -0.11 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1yup s THR 4 Cb -0.04 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 1yup s THR 4 CO 0.02 0.46 0.01 -1.10 -0.69 0.00 0.00 174.62 173.32 1yup s GLN 5 N 0.31 1.14 0.68 4.92 -0.21 -1.26 -5.06 119.66 120.18 1yup s GLN 5 Ca -0.12 -1.56 -0.15 0.00 0.02 0.00 0.00 55.36 53.55 1yup s GLN 5 Cb -0.15 -0.28 0.01 0.00 1.00 0.00 0.00 33.01 33.59 1yup s GLN 5 CO 0.05 -0.14 1.14 0.99 -2.12 0.00 0.00 175.29 175.21 1yup s THR 6 N -3.66 2.91 0.42 -0.19 2.01 -1.26 -4.63 115.64 111.24 1yup s THR 6 Ca 0.25 0.44 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 1yup s THR 6 Cb 0.06 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.51 1yup s THR 6 CO 0.05 -0.25 1.11 -0.32 -0.69 0.00 0.00 174.62 174.52 1yup s MET 7 N -3.98 4.01 -0.30 4.92 1.75 -0.52 -4.94 119.30 120.24 1yup s MET 7 Ca 0.70 1.66 -0.17 0.00 -1.25 0.00 0.00 55.69 56.63 1yup s MET 7 Cb -0.24 -2.53 -0.02 0.00 2.84 0.00 0.00 34.83 34.89 1yup s MET 7 CO 0.42 -0.31 0.46 0.21 -0.65 0.00 0.00 175.02 175.15 1yup s LYS 8 N -2.52 3.87 0.00 4.11 2.20 -1.26 -4.40 119.74 121.74 1yup s LYS 8 Ca 0.59 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1yup s LYS 8 Cb -0.26 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1yup s LYS 8 CO 0.32 -0.43 0.00 -0.25 -0.36 0.00 0.00 175.35 174.63 1yup n ASP 9 N 5.52 -1.94 -4.52 1.43 9.92 -1.26 -5.04 116.55 120.66 1yup n ASP 9 Ca -0.06 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.78 1yup n ASP 9 Cb 0.50 -0.84 -0.09 0.00 -0.64 0.00 0.00 41.12 40.04 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 -2.20 4.60 -0.71 0.64 2.96 -1.26 -5.02 118.68 117.68 1yup s LEU 10 Ca 0.00 -0.40 -0.23 0.00 -0.22 0.00 0.00 54.13 53.28 1yup s LEU 10 Cb 0.00 -2.33 0.06 0.00 0.50 0.00 0.00 46.19 44.42 1yup s LEU 10 CO 0.00 -0.41 1.07 -0.62 -1.32 0.00 0.00 176.35 175.07 1yup s ASP 11 N 1.75 6.21 0.43 3.68 2.15 -1.26 -4.90 116.67 124.73 1yup s ASP 11 Ca 0.11 -0.94 0.14 0.00 0.43 0.00 0.00 52.55 52.30 1yup s ASP 11 Cb -0.17 -2.46 1.04 0.00 -0.30 0.00 0.00 42.92 41.03 1yup s ASP 11 CO 0.12 -1.52 1.97 0.58 -0.17 0.00 0.00 175.17 176.15 1yup h VAL 12 N 6.01 0.87 -0.59 1.11 2.07 -1.95 -2.51 116.25 121.26 1yup h VAL 12 Ca -0.24 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1yup h VAL 12 Cb 1.06 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1yup h VAL 12 CO 1.21 0.07 0.13 1.56 0.02 0.00 0.00 177.57 180.57 1yup h GLN 13 N 0.41 0.92 0.00 1.57 1.08 -1.95 -2.71 115.11 114.42 1yup h GLN 13 Ca 0.30 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1yup h GLN 13 Cb 0.62 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1yup h GLN 13 CO -0.08 0.83 0.00 1.63 -0.95 0.00 0.00 178.83 180.25 1yup n LYS 14 N -4.26 0.08 -0.08 1.46 4.76 -0.95 -2.53 118.16 116.65 1yup n LYS 14 Ca 0.04 0.20 0.10 0.00 -2.87 0.00 0.00 58.31 55.78 1yup n LYS 14 Cb 0.24 -1.63 0.37 0.00 -1.84 0.00 0.00 35.03 32.17 1yup n LYS 14 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1yup n VAL 15 N -1.78 0.21 -1.88 -0.18 0.24 -1.02 -4.86 118.33 109.06 1yup n VAL 15 Ca 0.05 -0.32 -0.39 0.00 -2.04 0.00 0.00 64.34 61.64 1yup n VAL 15 Cb 0.28 0.29 0.02 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.79 2.97 0.00 2.33 0.00 -1.05 -4.63 121.76 119.60 1yup s ALA 16 Ca 0.31 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1yup s ALA 16 Cb 0.16 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1yup s ALA 16 CO 0.24 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1yup n GLY 17 N 0.65 0.11 3.72 0.00 0.00 0.43 -4.93 105.19 105.17 1yup n GLY 17 Ca 0.08 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 4.16 0.13 2.61 2.01 -1.26 -1.03 115.64 122.26 1yup s THR 18 Ca 0.00 1.62 0.02 0.00 0.31 0.00 0.00 61.69 63.64 1yup s THR 18 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1yup s THR 18 CO 0.00 0.17 -0.04 0.26 -0.69 0.00 0.00 174.62 174.32 1yup s TRP 19 N 0.71 1.04 -0.01 4.92 0.52 -0.50 -4.60 118.94 121.03 1yup s TRP 19 Ca 0.55 -0.96 0.03 0.00 0.02 0.00 0.00 56.10 55.74 1yup s TRP 19 Cb -0.28 -0.59 -0.01 0.00 -1.15 0.00 0.00 33.47 31.44 1yup s TRP 19 CO 0.30 -0.17 -0.10 0.71 0.02 0.00 0.00 176.95 177.71 1yup s TYR 20 N -3.63 0.90 -0.67 -1.98 1.51 0.59 -3.99 117.35 110.07 1yup s TYR 20 Ca 0.17 -0.17 -0.27 0.00 -1.01 0.00 0.00 57.07 55.79 1yup s TYR 20 Cb 0.05 -0.58 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 1yup s TYR 20 CO -0.01 -0.02 1.41 -1.12 -1.11 0.00 0.00 175.55 174.70 1yup s SER 21 N -0.20 6.01 0.09 2.29 0.01 -1.25 -0.79 113.70 119.87 1yup s SER 21 Ca 0.03 -0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.07 1yup s SER 21 Cb -0.04 -2.55 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 1yup s SER 21 CO -0.00 -1.89 1.22 0.25 0.41 0.00 0.00 173.24 173.23 1yup h LEU 22 N 13.59 0.74 -7.64 2.44 6.46 -1.13 -3.45 115.31 126.32 1yup h LEU 22 Ca -0.27 -0.62 -0.07 0.00 -0.12 0.00 0.00 57.88 56.80 1yup h LEU 22 Cb 1.08 -0.23 -0.13 0.00 -0.73 0.00 0.00 40.66 40.65 1yup h LEU 22 CO 1.24 1.42 -0.21 0.00 -0.62 0.00 0.00 178.44 180.27 1yup s ALA 23 N -3.22 -0.56 -0.20 1.25 0.00 -1.14 -1.52 121.76 116.37 1yup s ALA 23 Ca -0.08 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 1yup s ALA 23 Cb 0.07 0.64 0.07 0.00 0.00 0.00 0.00 23.12 23.90 1yup s ALA 23 CO 0.90 -0.60 0.71 0.00 0.00 0.00 0.00 175.76 176.78 1yup s MET 24 N -3.85 0.90 0.05 0.00 0.23 -0.05 -1.30 119.30 115.28 1yup s MET 24 Ca 0.05 0.74 0.00 0.00 -1.03 0.00 0.00 55.69 55.46 1yup s MET 24 Cb 0.03 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.74 1yup s MET 24 CO -0.10 -0.17 -0.05 0.00 -2.03 0.00 0.00 175.02 172.67 1yup s ALA 25 N -0.15 0.46 0.03 3.16 0.00 1.00 -0.77 121.76 125.50 1yup s ALA 25 Ca -0.04 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 1yup s ALA 25 Cb -0.03 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1yup s ALA 25 CO 0.04 -0.20 0.25 0.00 0.00 0.00 0.00 175.76 175.84 1yup s ALA 26 N -2.46 -0.53 0.30 0.00 0.00 -0.69 -0.58 121.76 117.81 1yup s ALA 26 Ca -0.04 -0.10 0.20 0.00 0.00 0.00 0.00 51.96 52.02 1yup s ALA 26 Cb -0.03 0.26 0.96 0.00 0.00 0.00 0.00 23.12 24.32 1yup s ALA 26 CO -0.04 -0.36 1.88 0.66 0.00 0.00 0.00 175.76 177.90 1yup h SER 27 N 3.45 0.00 -3.09 0.00 4.64 -1.37 -0.07 113.55 117.11 1yup h SER 27 Ca -0.32 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.34 1yup h SER 27 Cb 1.19 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.93 1yup h SER 27 CO 0.46 0.28 -0.86 -0.62 -0.87 0.00 0.00 176.83 175.22 1yup s ASP 28 N -6.47 3.11 0.23 4.97 -1.08 -1.26 -4.04 116.67 112.12 1yup s ASP 28 Ca -0.02 -0.65 -0.08 0.00 -0.52 0.00 0.00 52.55 51.29 1yup s ASP 28 Cb 0.13 -1.44 0.37 0.00 -1.46 0.00 0.00 42.92 40.51 1yup s ASP 28 CO 0.66 -0.01 1.68 0.40 0.52 0.00 0.00 175.17 178.42 1yup h ILE 29 N 5.97 0.54 0.00 4.11 2.04 -1.84 -0.53 117.51 127.80 1yup h ILE 29 Ca -0.44 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1yup h ILE 29 Cb 1.14 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1yup h ILE 29 CO 0.62 0.04 0.00 -1.54 0.00 0.00 0.00 178.15 177.27 1yup n SER 30 N -5.18 0.42 0.21 1.72 3.41 -1.26 -0.13 113.62 112.80 1yup n SER 30 Ca 0.11 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.38 1yup n SER 30 Cb 0.39 -0.69 0.45 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.00 1.04 3.38 -1.48 -3.34 115.31 114.91 1yup h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yup h LEU 31 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1yup h LEU 31 CO 0.00 0.30 -0.33 -0.11 0.09 0.00 0.00 178.44 178.40 1yup n LEU 32 N -3.83 0.00 -4.67 1.67 7.94 -0.74 -1.06 117.00 116.32 1yup n LEU 32 Ca -0.01 -0.29 -0.43 0.00 -1.11 0.00 0.00 56.01 54.16 1yup n LEU 32 Cb 0.39 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.31 1yup n LEU 32 CO 0.36 0.00 0.93 -0.62 -1.11 0.00 0.00 177.39 176.95 1yup s ASP 33 N -1.24 7.09 0.00 1.96 2.15 0.81 -4.73 116.67 122.72 1yup s ASP 33 Ca 0.00 1.47 0.00 0.00 0.43 0.00 0.00 52.55 54.45 1yup s ASP 33 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1yup s ASP 33 CO 0.00 -0.65 0.00 0.00 -0.17 0.00 0.00 175.17 174.35 1yup n ALA 34 N 6.12 -0.08 0.26 3.66 0.00 -1.26 -4.35 120.51 124.86 1yup n ALA 34 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.70 1yup n ALA 34 Cb 0.46 -0.06 0.69 0.00 0.00 0.00 0.00 19.45 20.54 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 -0.61 0.00 1.08 -1.99 -2.46 115.11 111.12 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 0.11 0.00 -1.13 -0.95 0.00 0.00 178.83 176.86 1yup n SER 36 N -3.35 4.81 -4.74 1.46 3.41 -1.26 -4.48 113.62 109.46 1yup n SER 36 Ca -0.01 -2.53 -0.37 0.00 -0.26 0.00 0.00 58.87 55.71 1yup n SER 36 Cb 0.30 -0.58 0.05 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.99 2.55 0.43 7.33 0.00 -0.93 -4.88 121.76 124.27 1yup s ALA 37 Ca 0.50 1.17 0.13 0.00 0.00 0.00 0.00 51.96 53.76 1yup s ALA 37 Cb 0.34 -3.52 0.99 0.00 0.00 0.00 0.00 23.12 20.93 1yup s ALA 37 CO 0.23 -1.38 1.99 -1.00 0.00 0.00 0.00 175.76 175.59 1yup h PRO 38 N 0.91 0.43 -0.33 0.00 0.13 -1.76 -2.80 132.00 128.58 1yup h PRO 38 Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1yup h PRO 38 Cb 1.31 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1yup h PRO 38 CO 0.55 0.28 0.00 1.28 -0.23 0.00 0.00 178.00 179.88 1yup n LEU 39 N -4.47 2.97 -4.57 1.56 4.77 -0.22 -4.76 117.00 112.28 1yup n LEU 39 Ca 0.09 -1.64 -0.33 0.00 -0.03 0.00 0.00 56.01 54.11 1yup n LEU 39 Cb 0.32 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1yup n LEU 39 CO 0.34 0.68 1.48 -0.60 -1.33 0.00 0.00 177.39 177.96 1yup s ARG 40 N -1.12 2.99 -0.02 3.23 6.06 -1.06 -4.90 118.95 124.12 1yup s ARG 40 Ca 0.28 -0.86 0.03 0.00 -2.50 0.00 0.00 55.73 52.68 1yup s ARG 40 Cb 0.16 -5.23 -0.00 0.00 0.06 0.00 0.00 34.95 29.94 1yup s ARG 40 CO 0.22 -3.04 -0.12 0.14 -2.50 0.00 0.00 175.30 170.01 1yup s VAL 41 N 8.18 0.95 -0.28 7.11 -7.23 -1.26 -4.55 120.40 123.32 1yup s VAL 41 Ca 0.61 -0.48 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1yup s VAL 41 Cb -0.03 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 36.11 1yup s VAL 41 CO 0.00 0.28 0.05 -0.31 -0.31 0.00 0.00 175.10 174.81 1yup s TYR 42 N -0.04 3.12 0.18 2.82 1.51 -0.65 -4.94 117.35 119.35 1yup s TYR 42 Ca 0.00 -1.04 -0.31 0.00 -1.01 0.00 0.00 57.07 54.72 1yup s TYR 42 Cb -0.07 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.48 1yup s TYR 42 CO 0.00 -0.59 1.38 0.08 -1.11 0.00 0.00 175.55 175.32 1yup s VAL 43 N 1.48 3.10 -0.20 0.71 1.01 -1.26 -0.65 120.40 124.59 1yup s VAL 43 Ca 0.03 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 1yup s VAL 43 Cb -0.17 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1yup s VAL 43 CO 0.01 0.10 -0.22 -0.62 0.00 0.00 0.00 175.10 174.37 1yup n GLU 44 N 3.14 0.46 -3.64 2.72 1.02 -0.14 -3.76 120.64 120.43 1yup n GLU 44 Ca 0.09 0.15 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 1yup n GLU 44 Cb 0.42 -1.31 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.38 0.79 -0.17 3.49 2.12 -0.99 -1.41 118.70 120.15 1yup s GLU 45 Ca -0.28 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 1yup s GLU 45 Cb 0.09 0.38 -0.00 0.00 0.26 0.00 0.00 34.13 34.85 1yup s GLU 45 CO 0.41 -0.15 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.35 1yup s LEU 46 N -0.19 2.63 -0.34 2.70 1.02 -0.20 -1.17 118.68 123.14 1yup s LEU 46 Ca -0.04 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.68 1yup s LEU 46 Cb -0.03 -1.62 0.11 0.00 0.02 0.00 0.00 46.19 44.66 1yup s LEU 46 CO 0.03 0.06 0.13 -0.54 0.02 0.00 0.00 176.35 176.05 1yup s LYS 47 N 0.99 0.91 0.80 1.70 -0.14 0.11 -0.43 119.74 123.67 1yup s LYS 47 Ca -0.01 -1.36 -0.11 0.00 -1.36 0.00 0.00 55.97 53.12 1yup s LYS 47 Cb -0.15 -2.15 0.07 0.00 -1.68 0.00 0.00 37.83 33.92 1yup s LYS 47 CO -0.02 -1.03 1.11 -1.25 -0.76 0.00 0.00 175.35 173.41 1yup s PRO 48 N 1.25 1.97 0.35 -1.68 0.04 -1.26 -0.48 135.00 135.19 1yup s PRO 48 Ca 0.12 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.57 1yup s PRO 48 Cb -0.19 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1yup s PRO 48 CO -0.17 -1.89 0.08 0.95 0.04 0.00 0.00 177.00 176.01 1yup s THR 49 N -2.73 2.68 0.27 1.26 -4.23 -0.71 -4.83 115.64 107.35 1yup s THR 49 Ca 0.64 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 1yup s THR 49 Cb -0.20 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 70.98 1yup s THR 49 CO 0.55 -0.16 1.89 -0.65 -0.54 0.00 0.00 174.62 175.71 1yup h PRO 50 N 1.67 1.13 0.00 3.99 0.11 -1.97 -2.56 132.00 134.36 1yup h PRO 50 Ca -0.43 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1yup h PRO 50 Cb 1.25 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1yup h PRO 50 CO 0.67 0.82 0.00 0.41 -0.21 0.00 0.00 178.00 179.68 1yup n GLY 51 N -1.19 -1.02 0.25 -0.55 0.00 -1.26 -4.93 105.19 96.49 1yup n GLY 51 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.98 0.93 3.89 -0.02 0.00 -0.97 -5.03 105.19 104.97 1yup n GLY 52 Ca 0.21 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.04 4.70 -0.17 1.61 1.01 -1.26 -4.56 116.67 115.96 1yup s ASP 53 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.13 1yup s ASP 53 Cb 0.00 -1.43 0.04 0.00 1.01 0.00 0.00 42.92 42.54 1yup s ASP 53 CO 0.00 -1.79 -0.09 -0.22 0.21 0.00 0.00 175.17 173.28 1yup s LEU 54 N -5.54 1.88 -0.06 1.23 2.96 -0.26 -1.73 118.68 117.16 1yup s LEU 54 Ca 0.61 -0.70 -0.28 0.00 -0.22 0.00 0.00 54.13 53.54 1yup s LEU 54 Cb -0.11 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1yup s LEU 54 CO 0.50 -0.14 0.91 -0.70 -1.32 0.00 0.00 176.35 175.60 1yup s GLU 55 N 1.51 4.47 -0.25 1.98 2.12 0.37 -0.42 118.70 128.47 1yup s GLU 55 Ca 0.01 1.25 -0.06 0.00 0.36 0.00 0.00 54.97 56.53 1yup s GLU 55 Cb -0.15 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 1yup s GLU 55 CO -0.09 -0.13 0.05 0.42 -0.54 0.00 0.00 175.26 174.97 1yup s ILE 56 N 1.36 3.98 -0.26 -3.70 1.01 0.05 0.05 121.20 123.69 1yup s ILE 56 Ca 0.46 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1yup s ILE 56 Cb -0.19 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1yup s ILE 56 CO 0.21 0.29 0.14 -0.76 0.00 0.00 0.00 174.94 174.82 1yup s LEU 57 N 1.55 3.83 0.32 2.97 1.02 -0.31 -1.12 118.68 126.94 1yup s LEU 57 Ca 0.05 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.18 1yup s LEU 57 Cb -0.15 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.96 1yup s LEU 57 CO 0.02 -0.02 0.09 -1.48 0.02 0.00 0.00 176.35 174.98 1yup s LEU 58 N 1.55 1.96 0.06 1.79 0.05 -0.09 -0.97 118.68 123.03 1yup s LEU 58 Ca 0.07 -1.44 0.06 0.00 0.05 0.00 0.00 54.13 52.86 1yup s LEU 58 Cb -0.15 -0.18 -0.04 0.00 -2.05 0.00 0.00 46.19 43.77 1yup s LEU 58 CO 0.07 -0.72 -0.10 -1.10 -0.55 0.00 0.00 176.35 173.96 1yup s GLN 59 N -3.90 2.27 -0.22 1.48 -1.52 0.18 -1.70 119.66 116.25 1yup s GLN 59 Ca 0.35 -0.92 -0.20 0.00 -1.95 0.00 0.00 55.36 52.64 1yup s GLN 59 Cb 0.07 -2.36 0.06 0.00 -0.22 0.00 0.00 33.01 30.56 1yup s GLN 59 CO 0.15 0.54 0.59 0.21 -0.25 0.00 0.00 175.29 176.54 1yup s LYS 60 N -1.84 0.69 -0.11 2.91 2.20 -0.26 -1.64 119.74 121.70 1yup s LYS 60 Ca 0.19 0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 56.35 1yup s LYS 60 Cb -0.11 0.33 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 1yup s LYS 60 CO 0.11 -0.09 2.03 -1.58 -0.36 0.00 0.00 175.35 175.46 1yup s TRP 61 N 0.37 1.35 0.00 4.03 0.52 -1.26 -1.57 118.94 122.38 1yup s TRP 61 Ca -0.00 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.23 1yup s TRP 61 Cb -0.04 -4.07 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 1yup s TRP 61 CO -0.00 -4.56 0.00 -0.85 0.02 0.00 0.00 176.95 171.56 1yup n GLU 62 N 8.09 0.00 -2.87 4.98 0.28 -0.76 -4.90 120.64 125.46 1yup n GLU 62 Ca 0.24 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.89 1yup n GLU 62 Cb 0.43 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.29 1yup n GLU 62 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1yup n ASN 63 N -1.02 5.89 0.00 -1.84 3.02 -1.26 -4.61 115.26 115.44 1yup n ASN 63 Ca 0.00 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 1yup n ASN 63 Cb 0.00 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 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 0.14 0.46 2.97 7.41 0.00 -1.26 -4.99 105.19 109.92 1yup n GLY 64 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 1yup n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yup s LYS 65 N -0.21 0.32 -0.01 1.61 2.20 -1.26 -5.12 119.74 117.27 1yup s LYS 65 Ca 0.00 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1yup s LYS 65 Cb 0.00 -0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.11 1yup s LYS 65 CO 0.00 0.03 1.29 0.00 -0.36 0.00 0.00 175.35 176.32 1yup s ALA 67 N 2.13 0.73 -0.13 0.00 0.00 -0.61 -4.95 121.76 118.94 1yup s ALA 67 Ca 0.60 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 1yup s ALA 67 Cb -0.29 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1yup s ALA 67 CO 0.25 -0.01 0.78 -1.14 0.00 0.00 0.00 175.76 175.64 1yup s GLN 68 N -1.88 4.35 -0.05 0.00 0.74 -1.26 -1.10 119.66 120.47 1yup s GLN 68 Ca -0.06 0.97 0.04 0.00 0.05 0.00 0.00 55.36 56.36 1yup s GLN 68 Cb -0.08 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 1yup s GLN 68 CO 0.00 -0.18 -0.17 0.21 -0.55 0.00 0.00 175.29 174.61 1yup s LYS 69 N 1.62 2.50 -0.02 1.67 2.20 -0.69 -4.98 119.74 122.05 1yup s LYS 69 Ca 0.38 -0.75 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 1yup s LYS 69 Cb -0.17 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 1yup s LYS 69 CO 0.15 0.57 -0.11 0.15 -0.36 0.00 0.00 175.35 175.76 1yup s LYS 70 N -0.60 2.49 -0.03 4.03 1.02 -1.26 -0.91 119.74 124.47 1yup s LYS 70 Ca 0.09 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.36 1yup s LYS 70 Cb -0.11 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1yup s LYS 70 CO 0.01 0.61 -0.07 0.42 -0.92 0.00 0.00 175.35 175.40 1yup s ILE 71 N -0.88 0.65 -0.06 2.17 1.01 -0.27 -5.00 121.20 118.82 1yup s ILE 71 Ca 0.14 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 1yup s ILE 71 Cb -0.11 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1yup s ILE 71 CO 0.04 0.22 0.55 0.27 0.00 0.00 0.00 174.94 176.03 1yup s ILE 72 N 0.45 5.06 -0.29 2.92 -5.25 -1.26 -0.77 121.20 122.05 1yup s ILE 72 Ca -0.06 1.12 -0.06 0.00 -0.99 0.00 0.00 60.65 60.65 1yup s ILE 72 Cb -0.10 -3.88 0.01 0.00 2.95 0.00 0.00 42.46 41.43 1yup s ILE 72 CO 0.00 0.36 0.07 0.00 -1.79 0.00 0.00 174.94 173.59 1yup s ALA 73 N 0.25 3.04 -0.00 2.27 0.00 0.44 -4.44 121.76 123.32 1yup s ALA 73 Ca 0.29 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.56 1yup s ALA 73 Cb -0.17 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1yup s ALA 73 CO 0.14 -0.90 0.77 -1.21 0.00 0.00 0.00 175.76 174.55 1yup s GLU 74 N 1.49 4.48 0.69 0.00 2.02 0.35 -1.11 118.70 126.62 1yup s GLU 74 Ca 0.02 1.03 -0.17 0.00 0.02 0.00 0.00 54.97 55.88 1yup s GLU 74 Cb -0.17 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 1yup s GLU 74 CO 0.02 0.16 0.79 0.36 0.02 0.00 0.00 175.26 176.61 1yup n LYS 75 N 3.31 0.51 -4.20 1.61 2.85 -1.26 -0.31 118.16 120.67 1yup n LYS 75 Ca -0.01 0.22 -0.22 0.00 -1.05 0.00 0.00 58.31 57.25 1yup n LYS 75 Cb 0.51 -2.04 -0.07 0.00 -0.65 0.00 0.00 35.03 32.77 1yup n LYS 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1yup n THR 76 N -2.26 0.00 0.33 0.58 -2.24 -1.22 -4.71 114.28 104.75 1yup n THR 76 Ca 0.12 -2.25 0.20 0.00 -2.27 0.00 0.00 64.05 59.85 1yup n THR 76 Cb 0.49 0.92 1.08 0.00 -2.10 0.00 0.00 70.33 70.72 1yup n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1yup h GLU 77 N 0.00 0.00 -4.83 -0.78 9.09 -1.97 -3.41 114.58 112.68 1yup h GLU 77 Ca -0.27 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.47 1yup h GLU 77 Cb 1.14 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 28.02 1yup h GLU 77 CO 0.42 0.00 -0.57 0.42 0.05 0.00 0.00 179.01 179.33 1yup s ILE 78 N -4.18 4.64 0.12 -1.06 -1.09 -1.26 -5.03 121.20 113.34 1yup s ILE 78 Ca -0.04 -0.29 -0.12 0.00 -2.23 0.00 0.00 60.65 57.97 1yup s ILE 78 Cb 0.12 -3.31 0.09 0.00 -1.58 0.00 0.00 42.46 37.78 1yup s ILE 78 CO 0.38 0.15 0.87 -2.65 -1.23 0.00 0.00 174.94 172.46 1yup n PRO 79 N 4.98 -0.16 -0.74 2.79 -0.02 -1.26 -1.66 135.00 138.93 1yup n PRO 79 Ca -0.14 0.86 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 1yup n PRO 79 Cb 0.50 -1.28 0.20 0.00 -0.02 0.00 0.00 33.50 32.91 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 -3.67 4.10 -2.97 3.55 0.00 -1.26 -4.71 120.51 115.55 1yup n ALA 80 Ca 0.05 -3.18 -0.33 0.00 0.00 0.00 0.00 53.44 49.98 1yup n ALA 80 Cb 0.21 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.24 2.87 0.10 0.00 1.01 -0.66 -1.30 120.40 119.18 1yup s VAL 81 Ca 0.43 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1yup s VAL 81 Cb 0.39 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1yup s VAL 81 CO -0.02 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.12 1yup s PHE 82 N 0.13 1.29 -0.21 5.22 0.40 -0.36 -3.45 117.98 120.99 1yup s PHE 82 Ca -0.08 -0.52 -0.10 0.00 -0.60 0.00 0.00 56.93 55.63 1yup s PHE 82 Cb -0.15 -0.70 -0.05 0.00 0.51 0.00 0.00 43.02 42.63 1yup s PHE 82 CO 0.05 0.09 0.13 0.21 0.70 0.00 0.00 175.22 176.40 1yup s LYS 83 N -2.28 4.09 0.34 0.44 2.36 0.58 -1.40 119.74 123.88 1yup s LYS 83 Ca 0.04 -0.27 0.09 0.00 -2.55 0.00 0.00 55.97 53.28 1yup s LYS 83 Cb -0.07 -3.43 -0.06 0.00 -1.05 0.00 0.00 37.83 33.22 1yup s LYS 83 CO 0.02 0.19 -0.08 0.96 1.55 0.00 0.00 175.35 177.99 1yup s ILE 84 N 0.67 2.10 -0.44 5.43 -4.36 -0.95 -0.49 121.20 123.16 1yup s ILE 84 Ca 0.07 -2.17 0.04 0.00 -0.26 0.00 0.00 60.65 58.33 1yup s ILE 84 Cb -0.12 -2.64 0.17 0.00 1.25 0.00 0.00 42.46 41.12 1yup s ILE 84 CO 0.01 -0.20 0.36 -0.67 0.24 0.00 0.00 174.94 174.68 1yup n ASP 85 N -0.76 -0.15 -3.51 4.36 -0.08 -1.26 -4.13 116.55 111.01 1yup n ASP 85 Ca -0.05 -2.46 -0.11 0.00 -1.51 0.00 0.00 54.79 50.66 1yup n ASP 85 Cb 0.64 -0.57 -0.03 0.00 2.34 0.00 0.00 41.12 43.49 1yup n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yup s ALA 86 N -0.13 -1.81 -1.74 -1.67 0.00 -1.17 -4.96 121.76 110.27 1yup s ALA 86 Ca 0.32 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1yup s ALA 86 Cb 0.04 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1yup s ALA 86 CO -0.19 -0.56 0.00 1.28 0.00 0.00 0.00 175.76 176.29 1yup n LEU 87 N 0.15 -1.48 -0.26 0.00 4.77 -1.26 -0.86 117.00 118.06 1yup n LEU 87 Ca -0.12 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.09 1yup n LEU 87 Cb 0.61 -2.60 -0.01 0.00 -2.33 0.00 0.00 43.42 39.08 1yup n LEU 87 CO 0.14 -0.60 -0.03 0.59 -1.33 0.00 0.00 177.39 176.16 1yup n ASN 88 N -1.46 -5.66 -4.93 -1.43 3.02 -1.26 -4.95 115.26 98.59 1yup n ASN 88 Ca -0.20 0.08 -0.25 0.00 -0.03 0.00 0.00 54.58 54.19 1yup n ASN 88 Cb 0.62 -3.45 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.14 3.37 0.00 3.52 0.41 -0.04 -4.56 118.70 119.26 1yup s GLU 89 Ca 0.00 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1yup s GLU 89 Cb 0.00 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1yup s GLU 89 CO 0.00 0.49 0.38 0.27 -0.49 0.00 0.00 175.26 175.92 1yup n ASN 90 N -0.73 0.62 -3.99 -0.19 6.94 0.06 -3.05 115.26 114.92 1yup n ASN 90 Ca -0.08 -1.14 -0.09 0.00 -0.02 0.00 0.00 54.58 53.26 1yup n ASN 90 Cb 0.55 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 -0.14 0.44 -0.08 -3.83 2.20 -0.21 -2.24 119.74 115.88 1yup s LYS 91 Ca 0.00 -0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1yup s LYS 91 Cb 0.00 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1yup s LYS 91 CO 0.00 -0.08 -0.05 0.08 -0.36 0.00 0.00 175.35 174.94 1yup s VAL 92 N -2.21 0.69 -0.32 4.02 1.01 -0.49 -2.17 120.40 120.93 1yup s VAL 92 Ca -0.09 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1yup s VAL 92 Cb -0.04 -0.75 0.09 0.00 0.00 0.00 0.00 36.38 35.68 1yup s VAL 92 CO -0.03 0.29 0.02 -0.76 0.00 0.00 0.00 175.10 174.62 1yup s LEU 93 N 1.48 4.41 -0.43 3.92 2.01 -0.24 -1.23 118.68 128.60 1yup s LEU 93 Ca -0.01 -1.89 -0.29 0.00 0.01 0.00 0.00 54.13 51.94 1yup s LEU 93 Cb -0.13 -1.63 0.02 0.00 0.01 0.00 0.00 46.19 44.46 1yup s LEU 93 CO -0.04 -0.34 1.25 -0.69 1.01 0.00 0.00 176.35 177.54 1yup s VAL 94 N 1.00 4.11 0.03 -1.59 1.01 -0.42 -1.53 120.40 123.01 1yup s VAL 94 Ca 0.04 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 63.05 1yup s VAL 94 Cb -0.20 -4.41 -0.34 0.00 0.00 0.00 0.00 36.38 31.43 1yup s VAL 94 CO -0.06 -0.84 0.98 -0.07 0.00 0.00 0.00 175.10 175.11 1yup h LEU 95 N 11.46 0.75 -7.00 3.92 4.07 -1.17 -1.37 115.31 125.97 1yup h LEU 95 Ca -0.25 -0.84 0.07 0.00 0.08 0.00 0.00 57.88 56.94 1yup h LEU 95 Cb 1.08 -0.25 -0.24 0.00 1.08 0.00 0.00 40.66 42.34 1yup h LEU 95 CO 1.10 1.66 0.50 -0.62 -1.08 0.00 0.00 178.44 180.00 1yup s ASP 96 N -7.48 -0.41 0.01 -0.43 2.15 -1.14 -3.21 116.67 106.17 1yup s ASP 96 Ca -0.09 0.54 -0.28 0.00 0.43 0.00 0.00 52.55 53.15 1yup s ASP 96 Cb 0.05 0.47 0.07 0.00 -0.30 0.00 0.00 42.92 43.20 1yup s ASP 96 CO 0.93 -0.31 0.64 0.28 -0.17 0.00 0.00 175.17 176.54 1yup s THR 97 N -0.76 0.00 -0.49 1.71 -1.32 -1.26 -0.86 115.64 112.66 1yup s THR 97 Ca -0.01 -0.03 0.15 0.00 -1.21 0.00 0.00 61.69 60.59 1yup s THR 97 Cb -0.02 -0.99 0.50 0.00 -1.51 0.00 0.00 72.50 70.49 1yup s THR 97 CO 0.00 -0.02 1.42 -0.90 -2.21 0.00 0.00 174.62 172.91 1yup n ASP 98 N 0.55 3.82 0.00 8.08 5.75 -1.13 -5.00 116.55 128.62 1yup n ASP 98 Ca -0.18 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 1yup n ASP 98 Cb 0.59 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.02 0.00 -0.01 2.11 4.01 -1.25 -4.25 117.16 117.79 1yup n TYR 99 Ca 0.19 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.03 1yup n TYR 99 Cb 0.78 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.58 -0.02 -0.72 5.02 -1.26 -4.71 118.16 117.05 1yup n LYS 100 Ca 0.00 -0.17 -0.06 0.00 -2.02 0.00 0.00 58.31 56.06 1yup n LYS 100 Cb 0.00 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 1yup n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yup n LYS 101 N -2.16 0.13 -3.97 1.97 4.76 -1.26 -4.78 118.16 112.85 1yup n LYS 101 Ca -0.04 0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 1yup n LYS 101 Cb 0.50 -0.72 -0.09 0.00 -1.84 0.00 0.00 35.03 32.87 1yup n LYS 101 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1yup s TYR 102 N -2.14 0.30 -0.06 2.13 1.13 -1.26 -1.57 117.35 115.87 1yup s TYR 102 Ca -0.08 -0.70 -0.04 0.00 -1.41 0.00 0.00 57.07 54.84 1yup s TYR 102 Cb 0.03 -0.21 0.03 0.00 -1.10 0.00 0.00 41.96 40.71 1yup s TYR 102 CO 0.11 -0.38 0.15 -1.17 -2.51 0.00 0.00 175.55 171.75 1yup s LEU 103 N -2.42 0.94 -0.12 -3.49 0.20 -0.28 -2.84 118.68 110.67 1yup s LEU 103 Ca -0.01 0.31 0.02 0.00 0.69 0.00 0.00 54.13 55.14 1yup s LEU 103 Cb 0.02 0.43 -0.01 0.00 -0.43 0.00 0.00 46.19 46.20 1yup s LEU 103 CO -0.07 -0.12 -0.18 -0.76 -0.29 0.00 0.00 176.35 174.94 1yup s LEU 104 N 0.81 2.41 0.13 -0.68 1.43 -0.04 -0.31 118.68 122.43 1yup s LEU 104 Ca -0.06 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 1yup s LEU 104 Cb -0.08 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1yup s LEU 104 CO -0.04 0.14 0.14 0.72 0.23 0.00 0.00 176.35 177.54 1yup s PHE 105 N 0.47 0.58 0.16 0.29 -0.71 -1.11 -0.69 117.98 116.97 1yup s PHE 105 Ca -0.12 -0.98 0.07 0.00 -1.04 0.00 0.00 56.93 54.86 1yup s PHE 105 Cb -0.17 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1yup s PHE 105 CO 0.05 -0.58 -0.15 0.00 -1.34 0.00 0.00 175.22 173.20 1yup s MET 107 N -3.01 1.14 0.14 0.00 0.23 0.14 -1.08 119.30 116.85 1yup s MET 107 Ca 0.15 -1.06 -0.24 0.00 -1.03 0.00 0.00 55.69 53.50 1yup s MET 107 Cb -0.04 -1.32 0.07 0.00 -1.53 0.00 0.00 34.83 32.01 1yup s MET 107 CO 0.05 0.32 0.76 -1.83 -2.03 0.00 0.00 175.02 172.28 1yup s GLU 108 N -1.68 1.26 -0.19 3.16 -1.05 -0.92 -1.34 118.70 117.93 1yup s GLU 108 Ca 0.05 -0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 54.27 1yup s GLU 108 Cb -0.10 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1yup s GLU 108 CO 0.03 -0.56 -0.04 1.21 0.95 0.00 0.00 175.26 176.85 1yup s ASN 109 N -2.75 4.52 0.33 0.83 3.84 -1.26 -0.76 114.94 119.69 1yup s ASN 109 Ca 0.06 -0.27 0.05 0.00 0.21 0.00 0.00 52.86 52.91 1yup s ASN 109 Cb -0.02 -1.76 0.58 0.00 -0.55 0.00 0.00 41.25 39.51 1yup s ASN 109 CO -0.05 0.07 1.83 -1.28 -2.79 0.00 0.00 177.10 174.88 1yup h SER 110 N 7.45 0.41 -0.69 -4.21 0.87 -1.93 -1.88 113.55 113.57 1yup h SER 110 Ca -0.35 -0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.24 1yup h SER 110 Cb 1.18 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 1yup h SER 110 CO 0.60 0.57 0.46 0.00 -0.53 0.00 0.00 176.83 177.93 1yup h ALA 111 N 1.48 2.11 -1.44 6.23 0.00 -1.98 -3.38 119.26 122.27 1yup h ALA 111 Ca 0.07 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1yup h ALA 111 Cb 0.47 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 17.96 1yup h ALA 111 CO 0.03 -0.29 -0.59 -2.00 0.00 0.00 0.00 179.25 176.40 1yup s GLU 112 N -5.37 0.84 0.14 0.00 2.56 -0.73 -5.06 118.70 111.07 1yup s GLU 112 Ca -0.08 -0.87 -0.21 0.00 0.00 0.00 0.00 54.97 53.81 1yup s GLU 112 Cb 0.20 -0.36 -0.00 0.00 2.00 0.00 0.00 34.13 35.97 1yup s GLU 112 CO 0.76 -1.25 1.67 -1.35 -0.56 0.00 0.00 175.26 174.53 1yup h PRO 113 N 6.34 -0.13 0.00 4.30 0.11 -1.68 -2.73 132.00 138.21 1yup h PRO 113 Ca 0.08 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1yup h PRO 113 Cb 1.09 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1yup h PRO 113 CO 0.14 -0.08 0.00 0.93 -0.21 0.00 0.00 178.00 178.77 1yup h GLU 114 N -0.13 0.00 -0.06 1.05 5.08 -1.95 0.86 114.58 119.43 1yup h GLU 114 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1yup h GLU 114 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1yup h GLU 114 CO -0.26 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.79 1yup n GLN 115 N -2.94 1.64 0.00 2.33 1.13 -1.05 -4.23 117.38 114.26 1yup n GLN 115 Ca -0.01 -0.93 0.00 0.00 -1.94 0.00 0.00 57.00 54.12 1yup n GLN 115 Cb 0.20 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1yup n GLN 115 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1yup n SER 116 N 0.14 0.20 -4.68 1.08 7.64 0.95 -4.83 113.62 114.11 1yup n SER 116 Ca 0.18 -0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1yup n SER 116 Cb 0.33 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1yup n SER 116 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yup s LEU 117 N -0.17 4.26 0.01 -3.43 2.96 0.26 -4.30 118.68 118.28 1yup s LEU 117 Ca 0.00 1.75 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1yup s LEU 117 Cb 0.00 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1yup s LEU 117 CO 0.00 -0.58 -0.04 0.00 -1.32 0.00 0.00 176.35 174.41 1yup s ALA 118 N 2.31 0.34 0.06 5.97 0.00 -0.45 -1.37 121.76 128.63 1yup s ALA 118 Ca 0.54 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.25 1yup s ALA 118 Cb -0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1yup s ALA 118 CO 0.20 0.04 -0.15 0.00 0.00 0.00 0.00 175.76 175.85 1yup s GLN 120 N -1.54 1.11 -0.32 0.00 -0.21 -0.33 -0.00 119.66 118.37 1yup s GLN 120 Ca 0.00 -1.33 -0.01 0.00 0.02 0.00 0.00 55.36 54.04 1yup s GLN 120 Cb -0.09 -0.98 0.07 0.00 1.00 0.00 0.00 33.01 33.01 1yup s GLN 120 CO 0.02 0.18 0.03 0.00 -2.12 0.00 0.00 175.29 173.41 1yup s LEU 122 N 1.18 4.29 0.15 0.00 1.43 0.58 -0.49 118.68 125.81 1yup s LEU 122 Ca -0.01 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1yup s LEU 122 Cb -0.20 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1yup s LEU 122 CO -0.03 0.04 -0.03 0.68 0.23 0.00 0.00 176.35 177.25 1yup s VAL 123 N -1.57 0.73 -0.16 -1.59 -7.23 0.03 -1.12 120.40 109.49 1yup s VAL 123 Ca 0.41 -1.98 0.19 0.00 -1.81 0.00 0.00 61.98 58.79 1yup s VAL 123 Cb -0.14 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.74 1yup s VAL 123 CO 0.20 -0.62 0.88 0.54 -0.31 0.00 0.00 175.10 175.79 1yup n ARG 124 N -0.18 0.62 -4.35 4.82 5.12 -0.61 -0.30 116.66 121.78 1yup n ARG 124 Ca -0.09 0.19 -0.26 0.00 -1.93 0.00 0.00 57.85 55.77 1yup n ARG 124 Cb 0.62 -1.81 -0.12 0.00 -1.16 0.00 0.00 32.46 29.99 1yup n ARG 124 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1yup s THR 125 N -3.06 2.01 -0.03 0.55 -4.23 -1.26 -4.71 115.64 104.91 1yup s THR 125 Ca -0.02 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1yup s THR 125 Cb 0.09 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 1yup s THR 125 CO 0.81 -0.06 2.40 -0.81 -0.54 0.00 0.00 174.62 176.41 1yup n PRO 126 N 0.77 1.31 -4.37 3.99 -0.04 -1.26 -4.80 135.00 130.60 1yup n PRO 126 Ca -0.17 -0.38 -0.27 0.00 -0.04 0.00 0.00 63.50 62.64 1yup n PRO 126 Cb 0.54 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.08 1.66 -0.35 0.54 2.02 -1.26 -4.49 118.70 116.90 1yup s GLU 127 Ca 0.19 -1.40 -0.29 0.00 0.02 0.00 0.00 54.97 53.49 1yup s GLU 127 Cb 0.10 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.37 1yup s GLU 127 CO -0.00 0.42 1.51 0.54 0.02 0.00 0.00 175.26 177.75 1yup s VAL 128 N -1.55 3.81 -0.39 2.63 0.11 -1.26 -4.98 120.40 118.77 1yup s VAL 128 Ca 0.21 0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 59.88 1yup s VAL 128 Cb -0.09 -4.01 0.01 0.00 -1.53 0.00 0.00 36.38 30.77 1yup s VAL 128 CO 0.11 -0.59 0.75 -0.62 -3.33 0.00 0.00 175.10 171.42 1yup s ASP 129 N 4.31 6.48 0.35 3.54 2.15 -1.26 -4.95 116.67 127.29 1yup s ASP 129 Ca 0.66 0.16 0.08 0.00 0.43 0.00 0.00 52.55 53.88 1yup s ASP 129 Cb -0.17 -2.38 0.67 0.00 -0.30 0.00 0.00 42.92 40.74 1yup s ASP 129 CO 0.31 -0.75 1.86 0.44 -0.17 0.00 0.00 175.17 176.86 1yup h ASP 130 N 8.62 0.30 -0.03 -0.34 3.32 -2.00 -2.66 116.42 123.63 1yup h ASP 130 Ca -0.25 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1yup h ASP 130 Cb 1.10 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1yup h ASP 130 CO 0.91 0.48 0.01 -0.08 -1.72 0.00 0.00 179.24 178.84 1yup h GLU 131 N 0.29 0.05 -0.59 3.56 4.81 -2.00 -2.20 114.58 118.50 1yup h GLU 131 Ca 0.06 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1yup h GLU 131 Cb 0.46 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1yup h GLU 131 CO 0.03 0.20 0.29 0.00 -0.73 0.00 0.00 179.01 178.80 1yup h ALA 132 N 0.85 0.78 -0.65 2.92 0.00 -1.95 -2.43 119.26 118.77 1yup h ALA 132 Ca 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1yup h ALA 132 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1yup h ALA 132 CO -0.00 -0.07 0.18 0.52 0.00 0.00 0.00 179.25 179.87 1yup h MET 133 N 0.54 1.03 -0.76 0.00 2.86 -1.41 -0.61 114.93 116.58 1yup h MET 133 Ca 0.27 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1yup h MET 133 Cb 0.23 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1yup h MET 133 CO -0.21 0.91 0.50 0.93 1.06 0.00 0.00 176.91 180.10 1yup h GLU 134 N 0.96 1.00 -0.38 1.72 3.07 -1.13 0.10 114.58 119.92 1yup h GLU 134 Ca 0.21 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.84 1yup h GLU 134 Cb 0.33 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1yup h GLU 134 CO -0.00 0.67 -0.39 1.57 -1.40 0.00 0.00 179.01 179.45 1yup h LYS 135 N 1.03 0.94 -0.67 2.33 2.10 -1.18 -2.23 116.57 118.89 1yup h LYS 135 Ca 0.28 -0.50 -0.05 0.00 -2.00 0.00 0.00 60.65 58.38 1yup h LYS 135 Cb -0.11 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.21 1yup h LYS 135 CO -0.06 1.16 0.23 0.35 -2.00 0.00 0.00 179.45 179.13 1yup h PHE 136 N 0.76 1.06 -0.68 0.07 3.57 -0.88 -1.68 116.94 119.16 1yup h PHE 136 Ca 0.06 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1yup h PHE 136 Cb 0.99 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1yup h PHE 136 CO 0.06 0.84 0.26 -0.44 -2.23 0.00 0.00 178.31 176.80 1yup h ASP 137 N 0.96 0.93 0.33 0.41 3.32 -0.66 -0.69 116.42 121.03 1yup h ASP 137 Ca 0.22 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 1yup h ASP 137 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1yup h ASP 137 CO -0.01 0.84 -0.69 0.11 -1.72 0.00 0.00 179.24 177.77 1yup h LYS 138 N 0.99 0.32 -0.30 3.56 1.57 -1.24 -2.61 116.57 118.87 1yup h LYS 138 Ca 0.23 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1yup h LYS 138 Cb 0.21 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1yup h LYS 138 CO -0.02 0.89 -0.15 0.00 -0.57 0.00 0.00 179.45 179.61 1yup h ALA 139 N 1.04 1.19 0.00 3.86 0.00 -0.76 -3.02 119.26 121.57 1yup h ALA 139 Ca -0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1yup h ALA 139 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1yup h ALA 139 CO 0.11 0.52 -0.52 -0.07 0.00 0.00 0.00 179.25 179.29 1yup h LEU 140 N 0.47 0.00 -1.57 0.00 4.07 -0.89 -3.25 115.31 114.15 1yup h LEU 140 Ca 0.08 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.08 1yup h LEU 140 Cb 0.53 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 1yup h LEU 140 CO 0.03 0.52 0.34 0.50 -1.08 0.00 0.00 178.44 178.75 1yup h LYS 141 N 0.00 0.55 -0.01 1.13 3.64 -1.33 -0.90 116.57 119.65 1yup h LYS 141 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1yup h LYS 141 Cb 0.94 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1yup h LYS 141 CO 0.07 0.36 -0.03 0.00 -2.27 0.00 0.00 179.45 177.58 1yup n ALA 142 N -2.48 2.63 -2.75 5.00 0.00 -1.23 -4.91 120.51 116.77 1yup n ALA 142 Ca 0.06 -0.45 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 1yup n ALA 142 Cb 0.15 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.06 3.68 -1.57 0.00 1.43 -0.34 -4.79 118.68 115.03 1yup s LEU 143 Ca 0.36 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1yup s LEU 143 Cb 0.21 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1yup s LEU 143 CO 0.36 0.12 2.80 -0.81 0.23 0.00 0.00 176.35 179.05 1yup n PRO 144 N 0.10 3.69 -3.18 1.29 -0.04 -1.26 -4.95 135.00 130.64 1yup n PRO 144 Ca -0.09 -2.40 -0.38 0.00 -0.04 0.00 0.00 63.50 60.59 1yup n PRO 144 Cb 0.53 -2.85 -0.06 0.00 -0.04 0.00 0.00 33.50 31.09 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 1.93 4.25 0.00 0.54 -1.94 -1.26 -4.11 119.30 118.70 1yup s MET 145 Ca 0.65 0.81 0.00 0.00 -1.71 0.00 0.00 55.69 55.44 1yup s MET 145 Cb 0.17 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.92 1yup s MET 145 CO -0.07 0.53 0.16 0.72 -0.01 0.00 0.00 175.02 176.36 1yup n HIS 146 N 1.27 0.00 -4.00 -0.03 8.25 -0.09 -4.92 115.22 115.70 1yup n HIS 146 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1yup n HIS 146 Cb 0.51 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.03 0.22 -0.07 1.59 2.07 -0.90 -4.72 121.20 119.37 1yup s ILE 147 Ca 0.00 -0.54 -0.07 0.00 -1.41 0.00 0.00 60.65 58.63 1yup s ILE 147 Cb 0.00 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.33 1yup s ILE 147 CO 0.00 -0.21 0.20 -0.13 -1.91 0.00 0.00 174.94 172.89 1yup s ARG 148 N -0.79 0.28 0.03 3.50 0.52 -1.26 -1.71 118.95 119.52 1yup s ARG 148 Ca -0.06 0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 1yup s ARG 148 Cb -0.05 0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.53 1yup s ARG 148 CO -0.00 -0.04 -0.07 -0.51 0.02 0.00 0.00 175.30 174.70 1yup s LEU 149 N -0.10 2.19 -0.01 2.53 1.43 0.05 -5.00 118.68 119.77 1yup s LEU 149 Ca -0.02 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1yup s LEU 149 Cb -0.02 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 46.03 1yup s LEU 149 CO 0.01 -0.14 0.19 -0.94 0.23 0.00 0.00 176.35 175.70 1yup s SER 150 N -1.19 -0.06 0.20 2.29 1.04 -1.26 -0.87 113.70 113.85 1yup s SER 150 Ca -0.07 -0.06 0.11 0.00 0.48 0.00 0.00 55.95 56.40 1yup s SER 150 Cb -0.08 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1yup s SER 150 CO 0.00 -0.35 -0.18 -0.36 0.98 0.00 0.00 173.24 173.33 1yup s PHE 151 N -1.19 2.43 0.50 5.02 0.08 -0.58 -5.00 117.98 119.24 1yup s PHE 151 Ca -0.13 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.64 1yup s PHE 151 Cb -0.06 -1.18 0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1yup s PHE 151 CO 0.02 0.53 0.71 0.54 -0.10 0.00 0.00 175.22 176.92 1yup s ASN 152 N -2.83 5.46 0.61 1.36 2.20 -1.26 -4.86 114.94 115.63 1yup s ASN 152 Ca 0.23 -0.04 0.32 0.00 -0.94 0.00 0.00 52.86 52.43 1yup s ASN 152 Cb -0.08 -0.96 1.80 0.00 -2.00 0.00 0.00 41.25 40.01 1yup s ASN 152 CO 0.12 -0.98 2.13 -0.65 -2.94 0.00 0.00 177.10 174.79 1yup h PRO 153 N 0.25 0.00 -0.09 3.55 0.11 -1.95 0.17 132.00 134.05 1yup h PRO 153 Ca -0.43 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 1yup h PRO 153 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 1yup h PRO 153 CO 0.52 0.00 -0.68 1.15 -0.21 0.00 0.00 178.00 178.78 1yup h THR 154 N 0.00 1.34 -0.13 -1.15 2.02 -1.95 -2.64 112.91 110.40 1yup h THR 154 Ca 0.05 -1.97 -0.13 0.00 0.77 0.00 0.00 66.41 65.14 1yup h THR 154 Cb 0.40 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1yup h THR 154 CO -0.00 0.60 -0.47 1.56 0.37 0.00 0.00 175.52 177.58 1yup h GLN 155 N 0.24 0.32 0.00 6.66 4.20 -1.65 -2.91 115.11 121.99 1yup h GLN 155 Ca -0.06 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 1yup h GLN 155 Cb 1.33 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1yup h GLN 155 CO 0.14 0.73 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.74 1yup h LEU 156 N 0.26 0.00 0.00 1.46 3.38 -0.72 1.04 115.31 120.73 1yup h LEU 156 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1yup h LEU 156 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1yup h LEU 156 CO 0.08 0.22 -0.35 -0.33 0.09 0.00 0.00 178.44 178.15 1yup h GLU 157 N 0.00 0.00 0.04 1.13 5.08 -1.31 -3.33 114.58 116.18 1yup h GLU 157 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 1yup h GLU 157 Cb 0.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1yup h GLU 157 CO 0.03 0.18 -2.23 0.39 -1.00 0.00 0.00 179.01 176.38 1yup n GLU 158 N -3.08 0.69 0.00 2.33 1.02 -1.03 -5.02 120.64 115.54 1yup n GLU 158 Ca 0.02 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1yup n GLU 158 Cb 0.62 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1yup n GLU 158 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1yup n GLN 159 N -3.20 0.00 0.00 3.49 1.13 0.36 -5.10 117.38 114.05 1yup n GLN 159 Ca -0.36 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 54.76 1yup n GLN 159 Cb 1.05 0.00 0.05 0.00 0.11 0.00 0.00 30.24 31.44 1yup n GLN 159 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62