#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rtz s VAL 2 N 0.00 4.99 -0.06 12.58 1.01 -1.26 -0.63 120.40 137.03 1rtz s VAL 2 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 1rtz s VAL 2 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1rtz s VAL 2 CO 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 175.10 175.09 1rtz s ALA 3 N 2.48 3.63 -0.22 5.51 0.00 0.56 -0.76 121.76 132.95 1rtz s ALA 3 Ca 0.22 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1rtz s ALA 3 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1rtz s ALA 3 CO 0.11 0.65 -0.01 0.71 0.00 0.00 0.00 175.76 177.22 1rtz s TYR 4 N -1.08 2.99 -0.09 0.00 2.02 -0.24 -0.57 117.35 120.38 1rtz s TYR 4 Ca 0.18 -0.77 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1rtz s TYR 4 Cb -0.12 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1rtz s TYR 4 CO 0.08 -0.47 -0.22 0.42 -1.57 0.00 0.00 175.55 173.79 1rtz s ILE 5 N 1.46 2.28 0.12 2.71 1.01 -0.30 -0.21 121.20 128.26 1rtz s ILE 5 Ca 0.05 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 1rtz s ILE 5 Cb -0.14 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.38 1rtz s ILE 5 CO -0.01 0.56 0.62 0.00 0.00 0.00 0.00 174.94 176.11 1rtz s ALA 6 N 0.15 3.54 -0.07 9.38 0.00 0.34 -1.03 121.76 134.07 1rtz s ALA 6 Ca -0.12 0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1rtz s ALA 6 Cb -0.16 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1rtz s ALA 6 CO 0.07 0.38 -0.18 -1.50 0.00 0.00 0.00 175.76 174.52 1rtz s ILE 7 N -1.22 1.57 0.05 0.00 2.07 -0.35 -1.24 121.20 122.06 1rtz s ILE 7 Ca 0.33 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 1rtz s ILE 7 Cb -0.19 -1.37 -0.02 0.00 0.13 0.00 0.00 42.46 41.00 1rtz s ILE 7 CO 0.21 0.45 -0.08 -0.83 -1.91 0.00 0.00 174.94 172.78 1rtz s GLY 8 N 0.31 0.53 -0.14 1.50 0.00 0.02 -1.01 107.32 108.53 1rtz s GLY 8 Ca -0.12 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 1rtz s GLY 8 CO 0.05 -0.85 0.37 -0.45 0.00 0.00 0.00 173.10 172.21 1rtz s SER 9 N -1.65 -0.39 -0.11 1.64 0.15 -0.34 -0.80 113.70 112.20 1rtz s SER 9 Ca -0.09 0.74 0.18 0.00 0.70 0.00 0.00 55.95 57.49 1rtz s SER 9 Cb -0.09 0.74 0.70 0.00 -1.71 0.00 0.00 66.02 65.65 1rtz s SER 9 CO 0.00 -0.13 1.61 -0.46 1.20 0.00 0.00 173.24 175.45 1rtz n ASN 10 N 3.05 4.65 -4.80 5.45 2.04 -0.16 -0.04 115.26 125.45 1rtz n ASN 10 Ca -0.14 -2.46 -0.34 0.00 -0.44 0.00 0.00 54.58 51.20 1rtz n ASN 10 Cb 0.57 -0.56 -0.05 0.00 -2.53 0.00 0.00 39.78 37.21 1rtz n ASN 10 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1rtz s LEU 11 N -1.86 3.97 0.38 -4.53 1.43 -1.26 -4.57 118.68 112.24 1rtz s LEU 11 Ca 0.50 1.87 0.13 0.00 -1.03 0.00 0.00 54.13 55.59 1rtz s LEU 11 Cb 0.32 -4.44 0.76 0.00 0.03 0.00 0.00 46.19 42.86 1rtz s LEU 11 CO 0.24 -0.53 1.85 0.00 0.23 0.00 0.00 176.35 178.13 1rtz h ALA 12 N 1.98 1.43 -2.46 4.21 0.00 -1.95 -3.28 119.26 119.19 1rtz h ALA 12 Ca -0.49 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.51 1rtz h ALA 12 Cb 1.20 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 1rtz h ALA 12 CO 0.61 0.43 -0.68 0.43 0.00 0.00 0.00 179.25 180.03 1rtz n SER 13 N -4.14 2.74 -0.01 0.00 7.64 -1.26 -4.98 113.62 113.62 1rtz n SER 13 Ca -0.02 -3.19 0.14 0.00 1.01 0.00 0.00 58.87 56.81 1rtz n SER 13 Cb 0.38 -0.68 0.68 0.00 -1.01 0.00 0.00 64.21 63.57 1rtz n SER 13 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1rtz n PRO 14 N 1.43 0.25 -0.22 1.43 -0.04 -1.24 -4.38 135.00 132.23 1rtz n PRO 14 Ca 0.26 -0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1rtz n PRO 14 Cb 0.41 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1rtz n PRO 14 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1rtz h LEU 15 N 0.03 0.90 -0.30 1.53 3.38 -1.93 -1.46 115.31 117.46 1rtz h LEU 15 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1rtz h LEU 15 Cb 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1rtz h LEU 15 CO 0.00 0.87 0.20 -0.08 0.09 0.00 0.00 178.44 179.52 1rtz h GLU 16 N 0.88 0.40 -0.51 1.13 4.81 -1.99 0.66 114.58 119.96 1rtz h GLU 16 Ca 0.20 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 1rtz h GLU 16 Cb 0.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1rtz h GLU 16 CO -0.01 0.27 -0.09 1.96 -0.73 0.00 0.00 179.01 180.41 1rtz h GLN 17 N 0.40 0.96 -0.27 1.92 4.20 -1.80 -0.61 115.11 119.91 1rtz h GLN 17 Ca 0.11 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1rtz h GLN 17 Cb -0.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1rtz h GLN 17 CO -0.02 1.02 0.10 0.28 -0.67 0.00 0.00 178.83 179.53 1rtz h VAL 18 N 0.82 1.19 -0.60 -0.54 2.07 -1.08 -0.81 116.25 117.29 1rtz h VAL 18 Ca 0.13 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1rtz h VAL 18 Cb 0.65 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1rtz h VAL 18 CO 0.04 0.19 0.19 0.78 0.02 0.00 0.00 177.57 178.80 1rtz h ASN 19 N 0.28 0.83 -0.49 0.57 2.35 -0.82 -0.59 115.58 117.70 1rtz h ASN 19 Ca 0.09 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1rtz h ASN 19 Cb 0.21 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1rtz h ASN 19 CO -0.01 0.78 -0.10 0.00 -1.65 0.00 0.00 177.43 176.45 1rtz h ALA 20 N 1.34 0.83 -0.71 -0.83 0.00 -0.84 -0.36 119.26 118.69 1rtz h ALA 20 Ca 0.20 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1rtz h ALA 20 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1rtz h ALA 20 CO -0.01 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.13 1rtz h ALA 21 N 1.01 0.93 -0.30 0.00 0.00 -0.62 -0.96 119.26 119.32 1rtz h ALA 21 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rtz h ALA 21 Cb 0.65 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rtz h ALA 21 CO 0.04 0.60 0.09 -0.07 0.00 0.00 0.00 179.25 179.92 1rtz h LEU 22 N 1.04 0.44 -0.58 0.00 3.38 -0.77 0.54 115.31 119.36 1rtz h LEU 22 Ca 0.23 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1rtz h LEU 22 Cb 0.28 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1rtz h LEU 22 CO -0.01 0.53 0.28 0.50 0.09 0.00 0.00 178.44 179.83 1rtz h LYS 23 N 0.33 0.51 -0.76 1.13 3.64 -0.91 -1.99 116.57 118.52 1rtz h LYS 23 Ca 0.10 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1rtz h LYS 23 Cb 0.25 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1rtz h LYS 23 CO -0.00 0.34 0.29 0.00 -2.27 0.00 0.00 179.45 177.80 1rtz h ALA 24 N 1.33 0.99 -0.68 5.00 0.00 -0.78 -1.84 119.26 123.29 1rtz h ALA 24 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rtz h ALA 24 Cb 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1rtz h ALA 24 CO -0.20 0.63 0.43 -0.07 0.00 0.00 0.00 179.25 180.03 1rtz h LEU 25 N 1.11 0.71 -1.61 0.00 3.38 -0.35 -2.08 115.31 116.47 1rtz h LEU 25 Ca 0.25 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1rtz h LEU 25 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1rtz h LEU 25 CO -0.02 0.50 -0.20 1.23 0.09 0.00 0.00 178.44 180.04 1rtz h GLY 26 N 0.85 0.00 0.11 0.83 0.00 -0.86 -2.41 103.07 101.59 1rtz h GLY 26 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1rtz h GLY 26 CO -0.09 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.67 1rtz n ASP 27 N -4.26 0.89 -4.73 0.19 8.00 -0.74 -4.37 116.55 111.53 1rtz n ASP 27 Ca -0.02 -1.32 -0.42 0.00 0.71 0.00 0.00 54.79 53.74 1rtz n ASP 27 Cb 0.26 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1rtz n ASP 27 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1rtz n ILE 28 N -0.30 1.65 -1.68 0.53 5.41 -0.91 -4.91 119.36 119.15 1rtz n ILE 28 Ca 0.21 -0.41 -0.40 0.00 1.00 0.00 0.00 62.75 63.15 1rtz n ILE 28 Cb 0.25 -1.79 0.03 0.00 -0.71 0.00 0.00 39.64 37.42 1rtz n ILE 28 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1rtz n PRO 29 N 1.06 1.54 -2.61 0.38 -0.02 -1.26 -2.74 135.00 131.35 1rtz n PRO 29 Ca 0.05 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.89 1rtz n PRO 29 Cb 0.37 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1rtz n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rtz n GLU 30 N -0.46 -2.68 -3.91 -0.52 -0.58 -1.26 -4.76 120.64 106.47 1rtz n GLU 30 Ca 0.10 0.92 -0.09 0.00 -0.42 0.00 0.00 57.16 57.67 1rtz n GLU 30 Cb 0.43 -5.64 -0.09 0.00 -0.57 0.00 0.00 31.44 25.57 1rtz n GLU 30 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1rtz s SER 31 N -2.25 0.16 0.06 1.62 0.01 -1.11 -1.21 113.70 110.99 1rtz s SER 31 Ca 0.10 -0.55 -0.25 0.00 1.31 0.00 0.00 55.95 56.56 1rtz s SER 31 Cb -0.04 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.51 1rtz s SER 31 CO 0.12 -0.57 0.58 -1.38 0.41 0.00 0.00 173.24 172.40 1rtz s HIS 32 N -2.93 -0.52 0.13 2.43 -3.43 -0.28 -4.69 115.29 106.00 1rtz s HIS 32 Ca -0.02 0.57 -0.30 0.00 -0.80 0.00 0.00 55.06 54.50 1rtz s HIS 32 Cb 0.01 0.43 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 1rtz s HIS 32 CO -0.06 -0.71 1.17 0.42 -2.00 0.00 0.00 174.74 173.56 1rtz s ILE 33 N -2.63 3.84 -0.13 -5.38 1.01 -1.26 -0.64 121.20 116.00 1rtz s ILE 33 Ca -0.04 1.46 -0.08 0.00 0.00 0.00 0.00 60.65 61.99 1rtz s ILE 33 Cb -0.01 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1rtz s ILE 33 CO -0.03 0.19 -0.01 -0.07 0.00 0.00 0.00 174.94 175.02 1rtz h LEU 34 N 5.82 0.00 -7.31 2.97 3.38 -0.89 -3.47 115.31 115.82 1rtz h LEU 34 Ca -0.43 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 1rtz h LEU 34 Cb 1.21 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 1rtz h LEU 34 CO 0.77 0.72 -0.20 -0.89 0.09 0.00 0.00 178.44 178.92 1rtz s THR 35 N -1.95 0.01 -0.12 0.22 2.01 -1.12 -4.99 115.64 109.70 1rtz s THR 35 Ca -0.10 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1rtz s THR 35 Cb 0.01 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 1rtz s THR 35 CO 0.18 -0.04 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.22 1rtz s VAL 36 N -0.06 2.74 0.97 3.82 1.01 -1.26 -0.77 120.40 126.85 1rtz s VAL 36 Ca -0.02 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1rtz s VAL 36 Cb -0.03 -2.12 0.17 0.00 0.00 0.00 0.00 36.38 34.40 1rtz s VAL 36 CO 0.02 0.54 1.13 -0.94 0.00 0.00 0.00 175.10 175.84 1rtz s SER 37 N 0.30 2.93 0.96 3.32 1.04 -0.22 -5.02 113.70 117.01 1rtz s SER 37 Ca -0.12 0.98 -0.11 0.00 0.48 0.00 0.00 55.95 57.18 1rtz s SER 37 Cb -0.16 -1.55 0.17 0.00 0.10 0.00 0.00 66.02 64.58 1rtz s SER 37 CO 0.06 -2.92 1.11 -0.44 0.98 0.00 0.00 173.24 172.04 1rtz s SER 38 N -3.84 2.61 -0.20 7.02 0.01 -1.26 -4.82 113.70 113.22 1rtz s SER 38 Ca 0.65 1.93 -0.10 0.00 1.31 0.00 0.00 55.95 59.74 1rtz s SER 38 Cb -0.15 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1rtz s SER 38 CO 0.55 -3.25 0.14 -0.36 0.41 0.00 0.00 173.24 170.73 1rtz s PHE 39 N -2.65 3.41 0.15 2.43 0.08 -1.26 -4.60 117.98 115.53 1rtz s PHE 39 Ca 0.66 0.34 0.07 0.00 0.12 0.00 0.00 56.93 58.13 1rtz s PHE 39 Cb -0.22 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1rtz s PHE 39 CO 0.59 0.28 -0.05 0.71 -0.10 0.00 0.00 175.22 176.65 1rtz s TYR 40 N 0.40 2.78 -0.17 0.36 1.51 -0.08 -0.14 117.35 122.02 1rtz s TYR 40 Ca 0.09 -0.15 -0.05 0.00 -1.01 0.00 0.00 57.07 55.94 1rtz s TYR 40 Cb -0.11 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 1rtz s TYR 40 CO -0.01 0.49 0.00 0.50 -1.11 0.00 0.00 175.55 175.42 1rtz s ARG 41 N -2.65 3.79 0.00 -0.62 3.52 0.17 -0.58 118.95 122.57 1rtz s ARG 41 Ca 0.25 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1rtz s ARG 41 Cb -0.10 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1rtz s ARG 41 CO 0.16 0.25 -0.12 0.95 -0.81 0.00 0.00 175.30 175.74 1rtz s THR 42 N 0.38 0.92 0.73 4.11 -4.23 -0.24 -4.14 115.64 113.17 1rtz s THR 42 Ca -0.01 -0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 59.78 1rtz s THR 42 Cb -0.13 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 72.95 1rtz s THR 42 CO 0.02 0.19 1.09 -2.84 -0.54 0.00 0.00 174.62 172.53 1rtz s PRO 43 N -0.47 2.50 0.86 3.99 0.02 -1.26 -0.43 135.00 140.20 1rtz s PRO 43 Ca 0.03 1.20 -0.11 0.00 0.02 0.00 0.00 61.00 62.14 1rtz s PRO 43 Cb -0.05 -1.92 0.11 0.00 0.02 0.00 0.00 34.50 32.65 1rtz s PRO 43 CO -0.00 -1.46 1.09 -1.25 -0.33 0.00 0.00 177.00 175.05 1rtz s PRO 44 N -4.70 1.51 -0.00 5.54 0.05 -1.26 -4.71 135.00 131.43 1rtz s PRO 44 Ca 0.62 1.00 0.16 0.00 0.05 0.00 0.00 61.00 62.83 1rtz s PRO 44 Cb -0.17 -1.82 0.45 0.00 0.05 0.00 0.00 34.50 33.00 1rtz s PRO 44 CO 0.52 -2.11 1.38 1.28 0.05 0.00 0.00 177.00 178.11 1rtz n LEU 45 N -3.82 3.38 -4.30 -3.56 4.77 -1.26 -4.95 117.00 107.25 1rtz n LEU 45 Ca 0.08 -2.02 -0.16 0.00 -0.03 0.00 0.00 56.01 53.88 1rtz n LEU 45 Cb 0.54 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1rtz n LEU 45 CO 0.54 0.83 -0.37 -0.83 -1.33 0.00 0.00 177.39 176.23 1rtz s GLY 46 N -1.01 1.35 0.24 -0.72 0.00 -1.26 -5.05 107.32 100.87 1rtz s GLY 46 Ca 0.34 -1.65 0.26 0.00 0.00 0.00 0.00 44.72 43.67 1rtz s GLY 46 CO 0.23 -1.65 1.76 -0.56 0.00 0.00 0.00 173.10 172.88 1rtz h PRO 47 N 2.60 0.00 -7.24 2.90 0.13 -2.04 -3.45 132.00 124.90 1rtz h PRO 47 Ca -0.38 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.27 1rtz h PRO 47 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1rtz h PRO 47 CO 0.64 0.00 0.39 -0.65 -0.23 0.00 0.00 178.00 178.15 1rtz s GLN 48 N -3.15 3.78 0.11 0.86 1.11 -1.26 -4.95 119.66 116.15 1rtz s GLN 48 Ca 0.09 0.93 -0.31 0.00 0.01 0.00 0.00 55.36 56.08 1rtz s GLN 48 Cb 0.11 -2.11 -0.09 0.00 -1.01 0.00 0.00 33.01 29.91 1rtz s GLN 48 CO 0.57 -0.42 1.67 -0.51 0.01 0.00 0.00 175.29 176.62 1rtz s ASP 49 N -3.33 6.55 0.05 5.90 1.01 -1.26 -4.98 116.67 120.61 1rtz s ASP 49 Ca 0.58 2.60 -0.27 0.00 0.71 0.00 0.00 52.55 56.18 1rtz s ASP 49 Cb -0.11 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.34 1rtz s ASP 49 CO 0.38 -0.90 0.79 0.00 0.21 0.00 0.00 175.17 175.65 1rtz s GLN 50 N 2.19 0.97 0.88 8.23 -2.07 -1.26 -5.16 119.66 123.45 1rtz s GLN 50 Ca 0.74 -0.34 -0.11 0.00 -1.82 0.00 0.00 55.36 53.84 1rtz s GLN 50 Cb -0.43 0.45 0.12 0.00 -1.09 0.00 0.00 33.01 32.06 1rtz s GLN 50 CO 0.33 -0.42 1.10 -2.14 -1.32 0.00 0.00 175.29 172.84 1rtz s PRO 51 N -3.26 1.36 0.85 9.60 0.02 -1.26 -4.83 135.00 137.48 1rtz s PRO 51 Ca 0.03 1.16 -0.11 0.00 0.02 0.00 0.00 61.00 62.10 1rtz s PRO 51 Cb -0.01 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.82 1rtz s PRO 51 CO -0.10 -2.26 1.10 -0.51 -0.33 0.00 0.00 177.00 174.90 1rtz s ASP 52 N -3.12 3.78 0.03 2.53 1.01 -1.26 -4.39 116.67 115.24 1rtz s ASP 52 Ca 0.64 1.78 -0.15 0.00 0.71 0.00 0.00 52.55 55.53 1rtz s ASP 52 Cb -0.20 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 1rtz s ASP 52 CO 0.58 -2.49 0.44 -0.31 0.21 0.00 0.00 175.17 173.59 1rtz s TYR 53 N -2.85 3.72 -0.10 4.23 1.51 0.43 -4.52 117.35 119.76 1rtz s TYR 53 Ca 0.63 1.02 -0.14 0.00 -1.01 0.00 0.00 57.07 57.57 1rtz s TYR 53 Cb -0.19 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.30 1rtz s TYR 53 CO 0.57 0.61 0.35 -1.17 -1.11 0.00 0.00 175.55 174.80 1rtz s LEU 54 N -1.22 4.33 0.03 -1.29 0.20 0.94 -1.08 118.68 120.58 1rtz s LEU 54 Ca 0.26 0.69 0.04 0.00 0.69 0.00 0.00 54.13 55.82 1rtz s LEU 54 Cb -0.17 -2.48 -0.02 0.00 -0.43 0.00 0.00 46.19 43.10 1rtz s LEU 54 CO 0.15 0.16 -0.13 0.20 -0.29 0.00 0.00 176.35 176.44 1rtz s ASN 55 N -0.04 1.57 0.32 3.68 0.01 0.25 -1.20 114.94 119.52 1rtz s ASN 55 Ca 0.20 -0.41 -0.10 0.00 -0.71 0.00 0.00 52.86 51.84 1rtz s ASN 55 Cb -0.14 -0.11 0.01 0.00 0.41 0.00 0.00 41.25 41.42 1rtz s ASN 55 CO 0.08 0.04 0.57 0.00 -1.51 0.00 0.00 177.10 176.28 1rtz s ALA 56 N -0.76 -0.05 0.02 0.60 0.00 -0.18 -0.90 121.76 120.48 1rtz s ALA 56 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1rtz s ALA 56 Cb -0.07 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1rtz s ALA 56 CO 0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 175.76 174.87 1rtz s ALA 57 N -3.26 0.11 -0.01 0.00 0.00 -1.26 -1.22 121.76 116.13 1rtz s ALA 57 Ca 0.23 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1rtz s ALA 57 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1rtz s ALA 57 CO 0.14 -0.14 -0.09 0.08 0.00 0.00 0.00 175.76 175.75 1rtz s VAL 58 N -1.26 0.72 -0.28 0.00 1.01 -0.20 -1.05 120.40 119.34 1rtz s VAL 58 Ca -0.14 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 1rtz s VAL 58 Cb -0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1rtz s VAL 58 CO -0.01 0.20 0.32 0.00 0.00 0.00 0.00 175.10 175.61 1rtz s ALA 59 N -0.23 3.55 -0.17 5.51 0.00 0.05 -1.15 121.76 129.32 1rtz s ALA 59 Ca 0.03 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1rtz s ALA 59 Cb -0.04 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1rtz s ALA 59 CO -0.00 -0.64 -0.20 -1.17 0.00 0.00 0.00 175.76 173.75 1rtz s LEU 60 N 1.97 2.09 0.10 0.00 2.96 0.27 -0.13 118.68 125.93 1rtz s LEU 60 Ca 0.12 -0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 1rtz s LEU 60 Cb -0.16 -1.45 -0.06 0.00 0.50 0.00 0.00 46.19 45.03 1rtz s LEU 60 CO 0.10 0.00 1.03 -0.70 -1.32 0.00 0.00 176.35 175.47 1rtz s GLU 61 N 1.25 4.60 -0.05 1.98 2.56 0.18 -0.33 118.70 128.91 1rtz s GLU 61 Ca 0.04 1.56 -0.12 0.00 0.00 0.00 0.00 54.97 56.44 1rtz s GLU 61 Cb -0.13 -3.37 0.02 0.00 2.00 0.00 0.00 34.13 32.65 1rtz s GLU 61 CO -0.12 0.05 0.28 -0.08 -0.56 0.00 0.00 175.26 174.84 1rtz s THR 62 N 0.32 0.04 -2.19 -1.70 -1.32 0.20 -1.13 115.64 109.86 1rtz s THR 62 Ca 0.50 -0.34 0.25 0.00 -1.21 0.00 0.00 61.69 60.89 1rtz s THR 62 Cb -0.25 -0.52 0.22 0.00 -1.51 0.00 0.00 72.50 70.43 1rtz s THR 62 CO 0.31 -0.19 1.39 -1.20 -2.21 0.00 0.00 174.62 172.72 1rtz n SER 63 N 1.88 1.77 -4.80 8.08 7.64 -0.35 -0.33 113.62 127.52 1rtz n SER 63 Ca -0.19 -1.39 -0.32 0.00 1.01 0.00 0.00 58.87 57.99 1rtz n SER 63 Cb 0.57 0.20 0.04 0.00 -1.01 0.00 0.00 64.21 64.01 1rtz n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rtz s LEU 64 N -2.32 3.27 0.61 -3.43 1.43 -1.26 -5.00 118.68 111.97 1rtz s LEU 64 Ca 0.25 1.77 -0.16 0.00 -1.03 0.00 0.00 54.13 54.96 1rtz s LEU 64 Cb 0.19 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1rtz s LEU 64 CO 0.47 -1.48 1.08 0.00 0.23 0.00 0.00 176.35 176.65 1rtz s ALA 65 N -2.74 2.65 0.26 4.21 0.00 -1.26 -4.84 121.76 120.04 1rtz s ALA 65 Ca 0.61 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.04 1rtz s ALA 65 Cb -0.16 -3.27 0.50 0.00 0.00 0.00 0.00 23.12 20.19 1rtz s ALA 65 CO 0.48 -0.94 1.77 -1.35 0.00 0.00 0.00 175.76 175.71 1rtz h PRO 66 N 0.41 0.61 -0.07 0.00 0.11 -1.99 -0.58 132.00 130.49 1rtz h PRO 66 Ca -0.47 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1rtz h PRO 66 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1rtz h PRO 66 CO 0.56 0.41 -0.46 0.93 -0.21 0.00 0.00 178.00 179.23 1rtz h GLU 67 N 0.63 0.17 -0.09 1.05 5.08 -1.99 -0.09 114.58 119.34 1rtz h GLU 67 Ca 0.45 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.51 1rtz h GLU 67 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1rtz h GLU 67 CO -0.34 0.60 -0.79 1.49 -1.00 0.00 0.00 179.01 178.96 1rtz h GLU 68 N 0.14 0.57 -0.76 2.33 4.57 -1.71 -1.31 114.58 118.40 1rtz h GLU 68 Ca 0.01 -0.48 0.07 0.00 -1.18 0.00 0.00 59.36 57.77 1rtz h GLU 68 Cb 0.87 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 1rtz h GLU 68 CO 0.07 1.11 0.44 1.25 -1.18 0.00 0.00 179.01 180.70 1rtz h LEU 69 N 0.38 0.65 -0.58 1.64 5.85 -0.69 0.11 115.31 122.67 1rtz h LEU 69 Ca -0.05 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1rtz h LEU 69 Cb 1.39 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1rtz h LEU 69 CO 0.15 0.40 0.17 0.25 -0.34 0.00 0.00 178.44 179.07 1rtz h LEU 70 N 0.78 0.12 -0.73 2.25 5.85 -0.81 0.04 115.31 122.81 1rtz h LEU 70 Ca 0.35 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.18 1rtz h LEU 70 Cb 0.24 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1rtz h LEU 70 CO -0.20 0.08 0.46 0.78 -0.34 0.00 0.00 178.44 179.22 1rtz h ASN 71 N 0.33 0.77 -0.47 1.25 2.35 -0.03 -0.98 115.58 118.81 1rtz h ASN 71 Ca 0.30 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.92 1rtz h ASN 71 Cb 0.39 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1rtz h ASN 71 CO -0.33 0.54 -0.18 0.45 -1.65 0.00 0.00 177.43 176.25 1rtz h HIS 72 N 0.92 1.10 -0.51 1.19 3.86 -0.23 -0.69 115.15 120.79 1rtz h HIS 72 Ca 0.29 -0.25 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1rtz h HIS 72 Cb -0.01 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 1rtz h HIS 72 CO -0.04 1.06 0.15 1.79 0.86 0.00 0.00 177.93 181.76 1rtz h THR 73 N 0.85 1.20 -0.27 2.45 1.35 -0.39 -0.41 112.91 117.69 1rtz h THR 73 Ca 0.12 -0.70 -0.18 0.00 -0.55 0.00 0.00 66.41 65.09 1rtz h THR 73 Cb 0.75 0.65 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1rtz h THR 73 CO 0.06 0.26 -0.55 1.56 -0.25 0.00 0.00 175.52 176.60 1rtz h GLN 74 N 0.74 0.83 -0.34 4.72 4.20 -1.03 -0.98 115.11 123.25 1rtz h GLN 74 Ca 0.17 -0.53 0.05 0.00 0.06 0.00 0.00 58.65 58.40 1rtz h GLN 74 Cb 0.22 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1rtz h GLN 74 CO -0.01 1.16 0.09 -0.09 -0.67 0.00 0.00 178.83 179.31 1rtz h ARG 75 N 0.63 0.21 -0.56 1.46 2.43 -0.74 -2.22 114.38 115.60 1rtz h ARG 75 Ca 0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1rtz h ARG 75 Cb 1.15 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1rtz h ARG 75 CO 0.12 0.14 0.08 0.82 -1.51 0.00 0.00 179.97 179.61 1rtz h ILE 76 N 0.21 1.26 -0.55 1.20 2.04 -0.88 -0.25 117.51 120.53 1rtz h ILE 76 Ca 0.16 -0.99 0.09 0.00 1.00 0.00 0.00 64.86 65.12 1rtz h ILE 76 Cb 0.16 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1rtz h ILE 76 CO -0.19 0.36 0.15 -0.33 0.00 0.00 0.00 178.15 178.13 1rtz h GLU 77 N 0.82 0.29 -0.49 2.37 5.08 -1.06 0.96 114.58 122.55 1rtz h GLU 77 Ca 0.17 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1rtz h GLU 77 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1rtz h GLU 77 CO 0.01 0.19 0.02 -0.07 -1.00 0.00 0.00 179.01 178.16 1rtz h LEU 78 N 0.29 0.83 -0.01 1.33 3.38 -0.87 -1.02 115.31 119.25 1rtz h LEU 78 Ca 0.28 -0.29 -0.26 0.00 0.09 0.00 0.00 57.88 57.69 1rtz h LEU 78 Cb 0.38 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1rtz h LEU 78 CO -0.34 0.92 -1.10 1.56 0.09 0.00 0.00 178.44 179.57 1rtz h GLN 79 N 0.72 0.48 0.00 1.13 4.20 -0.77 -3.37 115.11 117.49 1rtz h GLN 79 Ca 0.14 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1rtz h GLN 79 Cb 0.48 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1rtz h GLN 79 CO 0.02 1.23 -1.21 1.04 -0.67 0.00 0.00 178.83 179.24 1rtz n GLN 80 N -3.73 0.71 -2.36 1.46 1.13 0.31 -4.69 117.38 110.21 1rtz n GLN 80 Ca -0.10 -0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.48 1rtz n GLN 80 Cb 0.92 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.86 1rtz n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rtz n GLY 81 N 1.43 4.41 0.13 1.08 0.00 -0.39 -4.76 105.19 107.09 1rtz n GLY 81 Ca 0.01 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1rtz n GLY 81 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rtz h ARG 82 N 6.07 0.19 0.00 1.61 3.08 -1.84 -3.29 114.38 120.19 1rtz h ARG 82 Ca 0.41 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1rtz h ARG 82 Cb 0.68 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1rtz h ARG 82 CO 1.59 0.93 0.00 0.41 -1.07 0.00 0.00 179.97 181.83 1rtz n GLY 83 N 0.80 -1.12 0.00 0.04 0.00 -1.26 -5.00 105.19 98.64 1rtz n GLY 83 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1rtz n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rtz n GLY 90 N 0.56 0.08 3.66 -0.02 0.00 -1.24 -4.86 105.19 103.38 1rtz n GLY 90 Ca 0.07 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1rtz n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rtz s PRO 91 N -0.01 3.96 0.00 1.61 0.04 -1.26 -3.73 135.00 135.60 1rtz s PRO 91 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1rtz s PRO 91 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1rtz s PRO 91 CO 0.00 0.32 0.00 0.54 0.04 0.00 0.00 177.00 177.90 1rtz n ARG 92 N 3.41 0.00 0.17 4.56 1.74 -1.26 -4.88 116.66 120.40 1rtz n ARG 92 Ca -0.17 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1rtz n ARG 92 Cb 0.52 -1.40 0.36 0.00 -1.02 0.00 0.00 32.46 30.93 1rtz n ARG 92 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1rtz h THR 93 N 0.00 0.00 -1.23 0.55 1.35 -1.88 -0.40 112.91 111.31 1rtz h THR 93 Ca 0.00 -0.64 0.05 0.00 -0.55 0.00 0.00 66.41 65.27 1rtz h THR 93 Cb 0.00 1.61 -0.22 0.00 -1.73 0.00 0.00 68.15 67.80 1rtz h THR 93 CO 0.00 0.00 -0.29 -0.22 -0.25 0.00 0.00 175.52 174.76 1rtz s LEU 94 N -5.31 -1.25 -0.15 3.87 2.96 -1.25 -4.38 118.68 113.16 1rtz s LEU 94 Ca 0.07 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1rtz s LEU 94 Cb 0.09 2.02 0.01 0.00 0.50 0.00 0.00 46.19 48.81 1rtz s LEU 94 CO 0.59 -0.26 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.55 1rtz s ASP 95 N 2.82 3.35 -0.17 3.68 -1.08 0.02 -4.84 116.67 120.44 1rtz s ASP 95 Ca 0.17 -0.55 -0.00 0.00 -0.52 0.00 0.00 52.55 51.65 1rtz s ASP 95 Cb -0.15 -1.50 0.00 0.00 -1.46 0.00 0.00 42.92 39.81 1rtz s ASP 95 CO -0.20 0.07 -0.15 -0.76 0.52 0.00 0.00 175.17 174.65 1rtz s LEU 96 N 0.90 2.46 -0.05 -1.34 1.43 -1.26 -0.80 118.68 120.02 1rtz s LEU 96 Ca -0.04 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1rtz s LEU 96 Cb -0.15 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1rtz s LEU 96 CO -0.03 0.04 -0.11 -1.81 0.23 0.00 0.00 176.35 174.67 1rtz s ASP 97 N 1.06 1.63 -0.30 2.29 1.01 -0.38 -4.91 116.67 117.07 1rtz s ASP 97 Ca -0.01 -0.27 -0.29 0.00 0.71 0.00 0.00 52.55 52.70 1rtz s ASP 97 Cb -0.15 -0.67 0.01 0.00 1.01 0.00 0.00 42.92 43.12 1rtz s ASP 97 CO -0.04 0.04 1.20 -0.63 0.21 0.00 0.00 175.17 175.96 1rtz s ILE 98 N 0.53 4.30 -0.17 0.77 1.01 -1.26 -0.50 121.20 125.88 1rtz s ILE 98 Ca -0.11 1.49 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 1rtz s ILE 98 Cb -0.14 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.88 1rtz s ILE 98 CO 0.03 -0.47 0.40 0.24 0.00 0.00 0.00 174.94 175.14 1rtz h MET 99 N 8.73 0.00 -4.12 2.79 2.86 -0.95 -3.37 114.93 120.86 1rtz h MET 99 Ca -0.24 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.20 1rtz h MET 99 Cb 1.08 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.53 1rtz h MET 99 CO 1.03 0.86 -0.71 -0.51 1.06 0.00 0.00 176.91 178.64 1rtz s LEU 100 N -8.09 2.24 -0.29 1.22 1.43 -1.11 -0.90 118.68 113.20 1rtz s LEU 100 Ca -0.22 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1rtz s LEU 100 Cb 0.02 0.03 0.10 0.00 0.03 0.00 0.00 46.19 46.36 1rtz s LEU 100 CO 0.57 -0.27 0.11 0.12 0.23 0.00 0.00 176.35 177.11 1rtz s PHE 101 N -1.41 0.74 0.00 0.29 2.19 -1.26 -1.08 117.98 117.45 1rtz s PHE 101 Ca -0.14 -1.09 0.00 0.00 0.33 0.00 0.00 56.93 56.03 1rtz s PHE 101 Cb -0.10 -1.13 0.00 0.00 -1.31 0.00 0.00 43.02 40.49 1rtz s PHE 101 CO -0.01 -0.82 0.00 0.41 1.83 0.00 0.00 175.22 176.64 1rtz n GLY 102 N 5.13 2.86 1.61 13.12 0.00 0.06 -0.91 105.19 127.05 1rtz n GLY 102 Ca -0.05 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.80 1rtz n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rtz n ASN 103 N 1.51 4.91 -4.79 1.61 5.03 -1.26 -4.99 115.26 117.28 1rtz n ASN 103 Ca 0.00 -2.55 -0.37 0.00 0.87 0.00 0.00 54.58 52.52 1rtz n ASN 103 Cb 0.00 -0.59 -0.06 0.00 -1.02 0.00 0.00 39.78 38.10 1rtz n ASN 103 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1rtz s GLU 104 N -2.04 4.46 -0.20 3.52 2.02 -0.09 -4.95 118.70 121.42 1rtz s GLU 104 Ca 0.51 1.12 -0.04 0.00 0.02 0.00 0.00 54.97 56.58 1rtz s GLU 104 Cb 0.34 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1rtz s GLU 104 CO 0.22 0.40 -0.05 0.08 0.02 0.00 0.00 175.26 175.94 1rtz s VAL 105 N -1.46 3.46 -0.04 2.63 1.01 -1.26 -4.48 120.40 120.26 1rtz s VAL 105 Ca 0.44 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1rtz s VAL 105 Cb -0.19 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1rtz s VAL 105 CO 0.24 0.44 -0.14 -0.63 0.00 0.00 0.00 175.10 175.00 1rtz s ILE 106 N 1.17 1.22 -0.34 2.22 1.01 0.60 -4.97 121.20 122.13 1rtz s ILE 106 Ca 0.02 -0.60 0.16 0.00 0.00 0.00 0.00 60.65 60.24 1rtz s ILE 106 Cb -0.14 -1.06 0.45 0.00 0.01 0.00 0.00 42.46 41.72 1rtz s ILE 106 CO -0.01 0.36 0.97 0.59 0.00 0.00 0.00 174.94 176.85 1rtz n ASN 107 N 3.23 1.85 -4.38 3.58 3.02 -1.25 -0.90 115.26 120.42 1rtz n ASN 107 Ca -0.18 -2.84 -0.26 0.00 -0.03 0.00 0.00 54.58 51.27 1rtz n ASN 107 Cb 0.53 -0.52 0.15 0.00 -0.61 0.00 0.00 39.78 39.34 1rtz n ASN 107 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rtz s THR 108 N -3.42 2.00 0.12 3.41 -4.23 -0.27 -4.99 115.64 108.26 1rtz s THR 108 Ca 0.30 -0.40 -0.26 0.00 -1.18 0.00 0.00 61.69 60.15 1rtz s THR 108 Cb 0.45 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 1rtz s THR 108 CO 0.01 0.00 1.63 -0.33 -0.54 0.00 0.00 174.62 175.40 1rtz h GLU 109 N -1.04 -0.38 0.00 3.99 5.08 -2.05 -3.15 114.58 117.03 1rtz h GLU 109 Ca -0.38 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1rtz h GLU 109 Cb 1.24 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1rtz h GLU 109 CO 0.35 -0.25 -0.92 0.54 -1.00 0.00 0.00 179.01 177.73 1rtz n ARG 110 N -5.37 0.39 -3.67 2.33 1.74 -1.26 -4.90 116.66 105.92 1rtz n ARG 110 Ca -0.05 0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1rtz n ARG 110 Cb 0.29 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1rtz n ARG 110 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1rtz s LEU 111 N -4.46 -0.46 -0.15 0.55 2.96 -1.19 -5.11 118.68 110.83 1rtz s LEU 111 Ca 0.03 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1rtz s LEU 111 Cb 0.13 1.52 0.02 0.00 0.50 0.00 0.00 46.19 48.35 1rtz s LEU 111 CO 0.77 -0.21 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.53 1rtz s THR 112 N 1.97 1.74 -0.06 3.68 2.01 -1.26 -1.12 115.64 122.60 1rtz s THR 112 Ca -0.06 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1rtz s THR 112 Cb -0.10 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.84 1rtz s THR 112 CO -0.14 0.49 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 1rtz s VAL 113 N 1.23 0.85 0.59 3.82 1.01 -0.07 -3.64 120.40 124.19 1rtz s VAL 113 Ca 0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1rtz s VAL 113 Cb -0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1rtz s VAL 113 CO -0.08 0.30 1.33 -2.84 0.00 0.00 0.00 175.10 173.81 1rtz s PRO 114 N 0.98 2.87 0.19 2.72 0.02 -1.26 -0.29 135.00 140.22 1rtz s PRO 114 Ca -0.09 2.15 -0.32 0.00 0.02 0.00 0.00 61.00 62.75 1rtz s PRO 114 Cb -0.15 -2.06 -0.15 0.00 0.02 0.00 0.00 34.50 32.16 1rtz s PRO 114 CO 0.00 -1.38 1.17 1.58 -0.33 0.00 0.00 177.00 178.04 1rtz n HIS 115 N -1.45 1.35 0.30 6.54 -0.00 -0.07 -4.81 115.22 117.08 1rtz n HIS 115 Ca 0.13 0.66 0.18 0.00 -0.00 0.00 0.00 57.72 58.69 1rtz n HIS 115 Cb 0.47 -2.29 0.93 0.00 -0.00 0.00 0.00 29.99 29.10 1rtz n HIS 115 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1rtz h TYR 116 N 3.32 0.00 -0.01 1.57 -0.00 -1.93 -2.98 116.97 116.95 1rtz h TYR 116 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 1rtz h TYR 116 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.07 1rtz h TYR 116 CO 0.54 0.03 0.00 -3.47 -0.00 0.00 0.00 178.16 175.26 1rtz n ASP 117 N -3.30 1.34 0.24 0.10 2.03 -1.26 -4.84 116.55 110.86 1rtz n ASP 117 Ca -0.02 -1.26 0.08 0.00 0.52 0.00 0.00 54.79 54.11 1rtz n ASP 117 Cb 0.18 -0.01 0.59 0.00 -0.72 0.00 0.00 41.12 41.16 1rtz n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rtz h MET 118 N 0.30 0.00 0.00 -0.67 -0.00 -1.89 -0.99 114.93 111.68 1rtz h MET 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1rtz h MET 118 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 1rtz h MET 118 CO 0.00 0.16 0.00 1.63 -0.00 0.00 0.00 176.91 178.70 1rtz n LYS 119 N -4.10 0.32 -0.14 -0.10 5.02 -1.26 -1.91 118.16 115.98 1rtz n LYS 119 Ca -0.02 0.08 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1rtz n LYS 119 Cb 0.24 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.90 1rtz n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rtz n ASN 120 N -1.27 2.96 -3.90 4.39 3.02 -0.38 -4.94 115.26 115.15 1rtz n ASN 120 Ca 0.10 -1.87 -0.30 0.00 -0.03 0.00 0.00 54.58 52.48 1rtz n ASN 120 Cb 0.16 -0.19 -0.15 0.00 -0.61 0.00 0.00 39.78 38.99 1rtz n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1rtz s ARG 121 N -1.22 1.37 0.40 3.52 0.52 -0.80 -4.98 118.95 117.75 1rtz s ARG 121 Ca 0.28 -1.16 0.07 0.00 -0.52 0.00 0.00 55.73 54.41 1rtz s ARG 121 Cb 0.17 -2.56 0.84 0.00 0.52 0.00 0.00 34.95 33.91 1rtz s ARG 121 CO 0.23 -0.75 2.04 0.78 0.02 0.00 0.00 175.30 177.62 1rtz h GLY 122 N 7.93 0.55 2.00 -3.53 0.00 -1.92 -0.96 103.07 107.14 1rtz h GLY 122 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1rtz h GLY 122 CO 0.44 0.21 0.00 0.27 0.00 0.00 0.00 176.54 177.47 1rtz h PHE 123 N 0.53 0.00 0.04 5.60 -5.15 -1.93 0.47 116.94 116.50 1rtz h PHE 123 Ca 0.14 0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 57.66 1rtz h PHE 123 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.14 1rtz h PHE 123 CO 0.00 0.00 -1.34 0.52 -2.00 0.00 0.00 178.31 175.49 1rtz h MET 124 N 0.00 0.09 -0.21 6.09 2.86 -1.58 -3.41 114.93 118.77 1rtz h MET 124 Ca 0.00 -0.16 -0.17 0.00 -2.06 0.00 0.00 59.70 57.31 1rtz h MET 124 Cb 0.42 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1rtz h MET 124 CO 0.00 1.08 -0.56 -0.07 1.06 0.00 0.00 176.91 178.42 1rtz h LEU 125 N -0.68 0.73 0.05 1.22 3.38 -0.87 -2.29 115.31 116.85 1rtz h LEU 125 Ca -0.33 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 1rtz h LEU 125 Cb 1.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1rtz h LEU 125 CO -0.09 1.13 -0.02 -0.50 0.09 0.00 0.00 178.44 179.05 1rtz h TRP 126 N 0.50 -0.06 -0.52 1.13 -0.00 -1.17 0.49 115.95 116.32 1rtz h TRP 126 Ca 0.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 1rtz h TRP 126 Cb 1.12 0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 30.28 1rtz h TRP 126 CO 0.05 0.17 0.12 -1.00 -0.00 0.00 0.00 178.44 177.78 1rtz h PRO 127 N -0.29 0.79 -0.56 0.49 0.13 -1.78 -1.78 132.00 129.00 1rtz h PRO 127 Ca -0.01 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1rtz h PRO 127 Cb 0.26 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.24 1rtz h PRO 127 CO 0.01 0.72 0.34 1.25 -0.23 0.00 0.00 178.00 180.09 1rtz h LEU 128 N 0.76 0.67 -1.32 1.56 5.85 -1.23 -2.77 115.31 118.83 1rtz h LEU 128 Ca 0.17 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1rtz h LEU 128 Cb 0.29 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1rtz h LEU 128 CO -0.00 0.53 -0.16 0.15 -0.34 0.00 0.00 178.44 178.62 1rtz h PHE 129 N 0.76 0.28 -0.95 1.25 3.57 -0.45 0.12 116.94 121.51 1rtz h PHE 129 Ca 0.20 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1rtz h PHE 129 Cb -0.02 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1rtz h PHE 129 CO -0.02 0.42 0.63 1.49 -2.23 0.00 0.00 178.31 178.60 1rtz h GLU 130 N 0.25 1.25 0.00 1.11 4.81 -1.06 -2.52 114.58 118.41 1rtz h GLU 130 Ca 0.05 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1rtz h GLU 130 Cb 0.44 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1rtz h GLU 130 CO 0.03 0.83 -1.06 0.44 -0.73 0.00 0.00 179.01 178.51 1rtz n ILE 131 N -4.42 0.02 -3.04 2.32 -5.35 -0.80 -4.58 119.36 103.51 1rtz n ILE 131 Ca 0.11 -0.09 -0.15 0.00 -0.27 0.00 0.00 62.75 62.35 1rtz n ILE 131 Cb 0.01 0.71 0.01 0.00 -1.74 0.00 0.00 39.64 38.63 1rtz n ILE 131 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rtz n ALA 132 N -1.63 1.39 0.29 -1.28 0.00 0.34 -5.00 120.51 114.63 1rtz n ALA 132 Ca 0.03 -2.87 0.15 0.00 0.00 0.00 0.00 53.44 50.75 1rtz n ALA 132 Cb 0.37 -0.99 0.87 0.00 0.00 0.00 0.00 19.45 19.70 1rtz n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rtz h PRO 133 N 2.98 0.00 -0.63 0.00 0.13 -1.66 -2.10 132.00 130.72 1rtz h PRO 133 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1rtz h PRO 133 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1rtz h PRO 133 CO 0.40 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.60 1rtz n GLU 134 N -3.74 2.51 -1.76 0.86 -0.58 -1.26 -4.29 120.64 112.38 1rtz n GLU 134 Ca -0.03 -2.34 -0.41 0.00 -0.42 0.00 0.00 57.16 53.96 1rtz n GLU 134 Cb 0.13 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1rtz n GLU 134 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1rtz n LEU 135 N 1.41 4.59 -4.16 -4.62 0.00 -0.79 -4.87 117.00 108.56 1rtz n LEU 135 Ca 0.22 1.20 -0.29 0.00 0.00 0.00 0.00 56.01 57.13 1rtz n LEU 135 Cb 0.56 -1.59 -0.17 0.00 0.00 0.00 0.00 43.42 42.22 1rtz n LEU 135 CO 0.15 -0.04 -0.53 -0.69 0.00 0.00 0.00 177.39 176.28 1rtz s VAL 136 N -1.13 1.74 0.72 1.96 1.01 -1.26 -1.09 120.40 122.35 1rtz s VAL 136 Ca 0.55 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1rtz s VAL 136 Cb -0.49 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1rtz s VAL 136 CO 0.62 0.49 1.07 -0.36 0.00 0.00 0.00 175.10 176.92 1rtz s PHE 137 N 0.37 2.98 0.53 5.22 0.40 0.48 -4.90 117.98 123.05 1rtz s PHE 137 Ca -0.15 1.42 0.30 0.00 -0.60 0.00 0.00 56.93 57.90 1rtz s PHE 137 Cb -0.16 -2.93 1.44 0.00 0.51 0.00 0.00 43.02 41.87 1rtz s PHE 137 CO 0.06 -1.40 1.91 -1.35 0.70 0.00 0.00 175.22 175.14 1rtz h PRO 138 N -0.84 0.03 -0.10 0.24 0.11 -1.92 0.93 132.00 130.44 1rtz h PRO 138 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1rtz h PRO 138 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rtz h PRO 138 CO 0.56 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1rtz n ASP 139 N -4.30 0.88 0.00 -2.05 5.68 -1.26 -4.90 116.55 110.60 1rtz n ASP 139 Ca 0.17 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1rtz n ASP 139 Cb 0.88 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 1rtz n ASP 139 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rtz n GLY 140 N 0.93 1.35 3.72 6.12 0.00 0.32 -5.05 105.19 112.59 1rtz n GLY 140 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1rtz n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rtz s GLU 141 N -0.79 4.33 0.01 1.61 2.02 -1.26 -4.70 118.70 119.93 1rtz s GLU 141 Ca 0.00 2.09 -0.28 0.00 0.02 0.00 0.00 54.97 56.79 1rtz s GLU 141 Cb 0.00 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1rtz s GLU 141 CO 0.00 -0.41 0.91 -1.64 0.02 0.00 0.00 175.26 174.14 1rtz s MET 142 N 0.81 4.56 0.25 1.61 -1.94 -1.26 -0.39 119.30 122.94 1rtz s MET 142 Ca 0.63 1.30 -0.03 0.00 -1.71 0.00 0.00 55.69 55.88 1rtz s MET 142 Cb -0.37 -3.43 0.46 0.00 2.01 0.00 0.00 34.83 33.49 1rtz s MET 142 CO 0.32 0.05 1.78 1.25 -0.01 0.00 0.00 175.02 178.42 1rtz h LEU 143 N 6.45 0.56 -0.97 -0.03 5.85 -1.43 -1.32 115.31 124.41 1rtz h LEU 143 Ca -0.42 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1rtz h LEU 143 Cb 1.21 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1rtz h LEU 143 CO 0.74 0.28 0.64 -0.09 -0.34 0.00 0.00 178.44 179.67 1rtz h ARG 144 N 0.67 1.20 -0.37 1.25 2.43 -1.79 -1.95 114.38 115.83 1rtz h ARG 144 Ca 0.42 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 1rtz h ARG 144 Cb 0.51 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1rtz h ARG 144 CO -0.31 0.80 0.07 0.37 -1.51 0.00 0.00 179.97 179.38 1rtz h GLN 145 N 1.24 0.61 -0.33 0.20 5.75 -1.68 -2.35 115.11 118.54 1rtz h GLN 145 Ca 0.38 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.75 1rtz h GLN 145 Cb -0.01 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1rtz h GLN 145 CO -0.12 0.67 0.16 0.82 -2.65 0.00 0.00 178.83 177.71 1rtz h ILE 146 N 0.45 0.98 0.00 2.39 2.04 -0.74 0.14 117.51 122.77 1rtz h ILE 146 Ca 0.11 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1rtz h ILE 146 Cb 0.35 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1rtz h ILE 146 CO 0.01 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.40 1rtz n LEU 147 N -4.95 0.00 -0.32 1.44 4.77 -0.78 -1.18 117.00 115.98 1rtz n LEU 147 Ca 0.00 0.49 0.04 0.00 -0.03 0.00 0.00 56.01 56.51 1rtz n LEU 147 Cb 0.08 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1rtz n LEU 147 CO 0.30 -0.32 0.39 1.41 -1.33 0.00 0.00 177.39 177.85 1rtz n HIS 148 N -1.49 0.03 -0.01 -1.77 8.25 0.31 -4.51 115.22 116.03 1rtz n HIS 148 Ca 0.03 -0.05 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1rtz n HIS 148 Cb 0.12 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1rtz n HIS 148 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1rtz n THR 149 N 0.40 0.10 -2.85 1.59 -1.04 -0.10 -5.05 114.28 107.33 1rtz n THR 149 Ca 0.05 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.79 1rtz n THR 149 Cb 0.21 -0.59 0.03 0.00 -1.82 0.00 0.00 70.33 68.16 1rtz n THR 149 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1rtz s ARG 150 N -2.07 2.56 0.00 -2.82 1.81 -0.32 -5.09 118.95 113.02 1rtz s ARG 150 Ca -0.01 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 1rtz s ARG 150 Cb 0.01 -2.62 0.00 0.00 -0.45 0.00 0.00 34.95 31.89 1rtz s ARG 150 CO 0.08 -0.60 0.00 0.00 -0.68 0.00 0.00 175.30 174.10 1rtz n ALA 151 N -2.15 0.00 -2.66 2.13 0.00 -1.26 -4.85 120.51 111.71 1rtz n ALA 151 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.54 1rtz n ALA 151 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1rtz n ALA 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1rtz n PHE 152 N 0.00 -3.85 -1.66 0.00 3.72 -1.26 -4.95 117.46 109.46 1rtz n PHE 152 Ca 0.00 1.70 -0.45 0.00 -0.05 0.00 0.00 57.45 58.65 1rtz n PHE 152 Cb 0.00 -3.92 -0.03 0.00 -0.94 0.00 0.00 39.48 34.59 1rtz n PHE 152 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1rtz n ASP 153 N 0.67 2.66 -4.60 4.37 8.00 -1.26 -4.94 116.55 121.46 1rtz n ASP 153 Ca 0.00 1.13 -0.43 0.00 0.71 0.00 0.00 54.79 56.20 1rtz n ASP 153 Cb 0.00 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 39.67 1rtz n ASP 153 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1rtz s LYS 154 N -0.17 3.50 0.30 -1.24 1.02 -1.26 -4.97 119.74 116.92 1rtz s LYS 154 Ca 0.71 1.16 -0.27 0.00 0.02 0.00 0.00 55.97 57.59 1rtz s LYS 154 Cb -0.68 -4.09 -0.10 0.00 -0.52 0.00 0.00 37.83 32.44 1rtz s LYS 154 CO 0.48 -1.66 0.94 -0.51 -0.92 0.00 0.00 175.35 173.67 1rtz s LEU 155 N 5.97 4.40 0.53 3.17 1.43 -1.26 -5.04 118.68 127.88 1rtz s LEU 155 Ca 0.69 1.85 -0.10 0.00 -1.03 0.00 0.00 54.13 55.54 1rtz s LEU 155 Cb -0.18 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.08 1rtz s LEU 155 CO 0.33 -0.02 0.91 0.20 0.23 0.00 0.00 176.35 178.00 1rtz s ASN 156 N -1.53 6.33 0.28 2.29 0.02 -1.26 -4.87 114.94 116.19 1rtz s ASN 156 Ca 0.48 1.24 -0.30 0.00 -1.02 0.00 0.00 52.86 53.26 1rtz s ASN 156 Cb -0.20 -2.38 -0.12 0.00 0.02 0.00 0.00 41.25 38.57 1rtz s ASN 156 CO 0.25 -0.68 1.53 1.17 0.02 0.00 0.00 177.10 179.40 1rtz n LYS 157 N -2.25 2.49 0.00 -0.60 4.81 -1.26 -0.65 118.16 120.70 1rtz n LYS 157 Ca 0.04 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1rtz n LYS 157 Cb 0.54 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1rtz n LYS 157 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44