#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsd s VAL 2 N 0.00 4.92 -0.13 12.58 1.01 -1.26 -0.98 120.40 136.54 3hsd s VAL 2 Ca 0.00 1.29 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 3hsd s VAL 2 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3hsd s VAL 2 CO 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 175.10 175.20 3hsd s ALA 3 N 2.65 3.79 -0.20 5.51 0.00 0.04 -0.95 121.76 132.60 3hsd s ALA 3 Ca 0.30 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 3hsd s ALA 3 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 3hsd s ALA 3 CO 0.08 0.57 -0.04 0.71 0.00 0.00 0.00 175.76 177.08 3hsd s TYR 4 N -0.86 2.96 -0.08 0.00 2.02 -0.24 -0.09 117.35 121.06 3hsd s TYR 4 Ca 0.14 -0.76 0.05 0.00 -0.37 0.00 0.00 57.07 56.12 3hsd s TYR 4 Cb -0.12 -2.06 -0.00 0.00 -0.40 0.00 0.00 41.96 39.37 3hsd s TYR 4 CO 0.03 -0.42 -0.24 0.42 -1.57 0.00 0.00 175.55 173.78 3hsd s ILE 5 N 1.19 2.01 0.00 2.71 1.01 -0.26 -0.30 121.20 127.56 3hsd s ILE 5 Ca 0.02 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 3hsd s ILE 5 Cb -0.14 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.55 3hsd s ILE 5 CO -0.01 0.55 0.39 0.00 0.00 0.00 0.00 174.94 175.87 3hsd s ALA 6 N 0.15 3.71 -0.09 9.38 0.00 0.12 -0.96 121.76 134.08 3hsd s ALA 6 Ca -0.13 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.60 3hsd s ALA 6 Cb -0.16 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.62 3hsd s ALA 6 CO 0.07 0.50 -0.18 0.42 0.00 0.00 0.00 175.76 176.57 3hsd s ILE 7 N -1.12 1.60 0.01 0.00 1.01 -0.15 -1.20 121.20 121.35 3hsd s ILE 7 Ca 0.24 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3hsd s ILE 7 Cb -0.16 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 3hsd s ILE 7 CO 0.13 0.46 -0.04 -0.83 0.00 0.00 0.00 174.94 174.66 3hsd s GLY 8 N 0.55 0.25 -0.28 6.18 0.00 -0.55 -0.77 107.32 112.71 3hsd s GLY 8 Ca -0.16 -0.34 -0.22 0.00 0.00 0.00 0.00 44.72 44.00 3hsd s GLY 8 CO 0.05 -0.35 0.82 -0.45 0.00 0.00 0.00 173.10 173.18 3hsd s SER 9 N -0.59 -0.69 0.00 1.64 0.15 -0.76 -0.72 113.70 112.73 3hsd s SER 9 Ca -0.03 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.87 3hsd s SER 9 Cb -0.04 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.54 3hsd s SER 9 CO -0.00 -0.21 0.31 -0.46 1.20 0.00 0.00 173.24 174.08 3hsd n ASN 10 N 3.01 0.36 -4.62 5.45 0.23 -0.77 -0.65 115.26 118.28 3hsd n ASN 10 Ca -0.15 -1.09 -0.32 0.00 -0.53 0.00 0.00 54.58 52.49 3hsd n ASN 10 Cb 0.56 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.17 3hsd n ASN 10 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3hsd s LEU 11 N -0.09 3.24 -1.17 -4.53 1.43 -1.08 -4.72 118.68 111.76 3hsd s LEU 11 Ca 0.00 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3hsd s LEU 11 Cb 0.00 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3hsd s LEU 11 CO 0.00 0.25 0.98 0.00 0.23 0.00 0.00 176.35 177.82 3hsd n ALA 12 N 1.29 -1.73 -2.37 4.21 0.00 -1.26 -4.17 120.51 116.48 3hsd n ALA 12 Ca -0.14 0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 3hsd n ALA 12 Cb 0.52 -3.05 0.01 0.00 0.00 0.00 0.00 19.45 16.93 3hsd n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hsd n SER 13 N -2.93 -5.88 -0.27 0.00 7.64 -1.26 -4.56 113.62 106.36 3hsd n SER 13 Ca -0.20 0.37 0.17 0.00 1.01 0.00 0.00 58.87 60.22 3hsd n SER 13 Cb 0.63 -3.86 0.46 0.00 -1.01 0.00 0.00 64.21 60.43 3hsd n SER 13 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3hsd h PRO 14 N 1.32 0.49 -0.75 1.43 0.11 -1.84 -0.06 132.00 132.70 3hsd h PRO 14 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3hsd h PRO 14 Cb 0.63 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 3hsd h PRO 14 CO 0.13 0.33 0.34 1.25 -0.21 0.00 0.00 178.00 179.84 3hsd h LEU 15 N 0.51 0.99 -0.36 2.35 5.85 -1.91 0.62 115.31 123.36 3hsd h LEU 15 Ca 0.50 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3hsd h LEU 15 Cb 1.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3hsd h LEU 15 CO -0.23 0.85 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.36 3hsd h GLU 16 N 1.07 0.65 -0.50 1.25 4.39 -1.36 -2.52 114.58 117.56 3hsd h GLU 16 Ca 0.26 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3hsd h GLU 16 Cb 0.14 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3hsd h GLU 16 CO -0.03 0.78 0.11 1.96 -1.16 0.00 0.00 179.01 180.67 3hsd h GLN 17 N 0.45 0.82 -0.51 2.33 1.08 -0.77 -0.02 115.11 118.49 3hsd h GLN 17 Ca 0.10 -0.20 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 3hsd h GLN 17 Cb 0.50 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 3hsd h GLN 17 CO 0.02 0.80 -0.16 0.28 -0.95 0.00 0.00 178.83 178.82 3hsd h VAL 18 N 0.70 1.27 -0.56 -0.54 2.07 -0.93 -0.92 116.25 117.34 3hsd h VAL 18 Ca 0.16 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 3hsd h VAL 18 Cb 0.35 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hsd h VAL 18 CO 0.00 0.46 -0.02 0.78 0.02 0.00 0.00 177.57 178.81 3hsd h ASN 19 N 0.87 0.97 -0.89 0.57 2.35 -1.27 -0.41 115.58 117.76 3hsd h ASN 19 Ca 0.13 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3hsd h ASN 19 Cb 0.72 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 3hsd h ASN 19 CO 0.06 1.03 0.47 0.00 -1.65 0.00 0.00 177.43 177.34 3hsd h ALA 20 N 1.06 1.16 -0.51 -0.83 0.00 -0.80 -2.13 119.26 117.21 3hsd h ALA 20 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3hsd h ALA 20 Cb 0.56 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hsd h ALA 20 CO 0.03 0.67 -0.16 0.00 0.00 0.00 0.00 179.25 179.79 3hsd h ALA 21 N 1.27 0.76 -0.70 0.00 0.00 -0.80 -1.65 119.26 118.13 3hsd h ALA 21 Ca 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hsd h ALA 21 Cb 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3hsd h ALA 21 CO -0.05 0.67 0.40 -0.07 0.00 0.00 0.00 179.25 180.21 3hsd h LEU 22 N 0.87 0.86 -0.32 0.00 3.38 -0.88 0.10 115.31 119.33 3hsd h LEU 22 Ca 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hsd h LEU 22 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3hsd h LEU 22 CO 0.06 0.69 0.17 0.50 0.09 0.00 0.00 178.44 179.94 3hsd h LYS 23 N 0.96 0.44 -0.65 1.13 3.64 -1.19 -0.48 116.57 120.43 3hsd h LYS 23 Ca 0.25 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3hsd h LYS 23 Cb 0.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3hsd h LYS 23 CO -0.04 0.39 0.35 0.00 -2.27 0.00 0.00 179.45 177.88 3hsd h ALA 24 N 1.03 0.83 -0.69 5.00 0.00 -0.94 -2.70 119.26 121.79 3hsd h ALA 24 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hsd h ALA 24 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hsd h ALA 24 CO -0.02 0.36 0.15 -0.07 0.00 0.00 0.00 179.25 179.68 3hsd h LEU 25 N 0.89 1.07 -2.11 0.00 3.38 -0.60 -2.70 115.31 115.24 3hsd h LEU 25 Ca 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hsd h LEU 25 Cb 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hsd h LEU 25 CO -0.04 1.03 -0.05 1.23 0.09 0.00 0.00 178.44 180.71 3hsd h GLY 26 N 1.05 0.00 -2.16 0.83 0.00 -0.78 -2.41 103.07 99.60 3hsd h GLY 26 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hsd h GLY 26 CO 0.01 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.64 3hsd n ASP 27 N -3.31 3.32 -4.75 0.19 5.75 -1.03 -4.74 116.55 111.99 3hsd n ASP 27 Ca -0.01 -1.97 -0.42 0.00 -0.01 0.00 0.00 54.79 52.38 3hsd n ASP 27 Cb 0.21 -0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 3hsd n ASP 27 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3hsd n ILE 28 N 1.40 1.55 -1.64 2.12 5.41 -0.91 -4.93 119.36 122.37 3hsd n ILE 28 Ca 0.18 -0.39 -0.35 0.00 1.00 0.00 0.00 62.75 63.19 3hsd n ILE 28 Cb 0.59 -1.88 0.07 0.00 -0.71 0.00 0.00 39.64 37.70 3hsd n ILE 28 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hsd s PRO 29 N -1.35 2.46 -1.79 0.38 0.04 -1.26 -3.16 135.00 130.33 3hsd s PRO 29 Ca 0.59 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 63.17 3hsd s PRO 29 Cb -0.51 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 32.35 3hsd s PRO 29 CO 0.57 -1.59 0.69 -0.85 0.04 0.00 0.00 177.00 175.86 3hsd n GLU 30 N -2.34 -2.01 -4.06 4.56 0.28 -1.26 -4.80 120.64 111.00 3hsd n GLU 30 Ca 0.13 0.26 -0.09 0.00 -0.16 0.00 0.00 57.16 57.31 3hsd n GLU 30 Cb 0.50 -4.90 -0.10 0.00 1.43 0.00 0.00 31.44 28.36 3hsd n GLU 30 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3hsd s SER 31 N -3.30 0.52 -0.16 -1.84 0.01 -1.19 -1.62 113.70 106.12 3hsd s SER 31 Ca 0.77 -0.79 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 3hsd s SER 31 Cb -0.44 0.14 0.05 0.00 0.21 0.00 0.00 66.02 65.99 3hsd s SER 31 CO 0.98 -0.45 0.40 -2.28 0.41 0.00 0.00 173.24 172.29 3hsd s HIS 32 N -2.84 -0.56 -0.28 2.43 5.04 0.58 -4.84 115.29 114.83 3hsd s HIS 32 Ca -0.02 1.22 -0.29 0.00 -1.54 0.00 0.00 55.06 54.43 3hsd s HIS 32 Cb 0.00 0.23 -0.01 0.00 0.04 0.00 0.00 32.58 32.84 3hsd s HIS 32 CO -0.05 -0.32 1.52 0.42 -2.34 0.00 0.00 174.74 173.97 3hsd s ILE 33 N 1.22 3.82 -0.14 0.89 1.01 -1.26 -0.94 121.20 125.80 3hsd s ILE 33 Ca -0.08 0.91 -0.27 0.00 0.00 0.00 0.00 60.65 61.21 3hsd s ILE 33 Cb -0.08 -3.89 -0.24 0.00 0.01 0.00 0.00 42.46 38.26 3hsd s ILE 33 CO -0.11 -0.41 0.68 -0.07 0.00 0.00 0.00 174.94 175.03 3hsd h LEU 34 N 11.71 0.00 -7.41 2.97 3.38 -1.22 -3.48 115.31 121.26 3hsd h LEU 34 Ca -0.31 -0.90 -0.14 0.00 0.09 0.00 0.00 57.88 56.63 3hsd h LEU 34 Cb 1.13 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.65 3hsd h LEU 34 CO 1.02 1.01 -0.31 -0.89 0.09 0.00 0.00 178.44 179.37 3hsd s THR 35 N -2.20 0.01 -0.02 0.22 2.01 -1.13 -4.99 115.64 109.54 3hsd s THR 35 Ca -0.19 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.77 3hsd s THR 35 Cb -0.02 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 3hsd s THR 35 CO 0.64 -0.06 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.61 3hsd s VAL 36 N -0.15 1.68 1.02 3.82 1.01 -1.26 -0.76 120.40 125.76 3hsd s VAL 36 Ca -0.03 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3hsd s VAL 36 Cb -0.03 -1.40 0.22 0.00 0.00 0.00 0.00 36.38 35.17 3hsd s VAL 36 CO 0.01 0.48 1.26 -0.94 0.00 0.00 0.00 175.10 175.91 3hsd s SER 37 N -0.42 2.55 1.01 3.32 1.04 -0.28 -4.98 113.70 115.94 3hsd s SER 37 Ca 0.06 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.74 3hsd s SER 37 Cb -0.09 -0.51 0.20 0.00 0.10 0.00 0.00 66.02 65.72 3hsd s SER 37 CO -0.00 -3.10 1.15 -0.44 0.98 0.00 0.00 173.24 171.83 3hsd s SER 38 N -4.59 2.59 -0.21 7.02 0.01 -1.26 -4.83 113.70 112.43 3hsd s SER 38 Ca 0.73 0.81 -0.09 0.00 1.31 0.00 0.00 55.95 58.71 3hsd s SER 38 Cb -0.06 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 3hsd s SER 38 CO 0.54 -3.11 0.11 -0.36 0.41 0.00 0.00 173.24 170.83 3hsd s PHE 39 N -3.24 3.29 0.13 2.43 0.08 -1.26 -4.61 117.98 114.81 3hsd s PHE 39 Ca 0.67 0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.92 3hsd s PHE 39 Cb -0.13 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3hsd s PHE 39 CO 0.55 0.12 -0.01 0.71 -0.10 0.00 0.00 175.22 176.49 3hsd s TYR 40 N 0.65 2.89 -0.22 0.36 1.51 -0.06 -0.04 117.35 122.44 3hsd s TYR 40 Ca 0.06 -0.09 -0.07 0.00 -1.01 0.00 0.00 57.07 55.95 3hsd s TYR 40 Cb -0.13 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3hsd s TYR 40 CO 0.01 0.49 0.06 0.50 -1.11 0.00 0.00 175.55 175.50 3hsd s ARG 41 N -2.56 3.79 -0.31 -0.62 3.52 0.16 -0.76 118.95 122.18 3hsd s ARG 41 Ca 0.26 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 3hsd s ARG 41 Cb -0.11 -3.27 0.08 0.00 -1.56 0.00 0.00 34.95 30.09 3hsd s ARG 41 CO 0.18 0.02 -0.01 0.99 -0.81 0.00 0.00 175.30 175.66 3hsd s THR 42 N 1.06 2.45 0.70 4.11 2.01 0.68 -4.23 115.64 122.42 3hsd s THR 42 Ca 0.04 -1.85 -0.14 0.00 0.31 0.00 0.00 61.69 60.04 3hsd s THR 42 Cb -0.14 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 69.82 3hsd s THR 42 CO 0.03 -0.28 1.14 -2.84 -0.69 0.00 0.00 174.62 171.98 3hsd s PRO 43 N 1.07 2.45 0.65 4.92 0.02 -1.26 -1.17 135.00 141.67 3hsd s PRO 43 Ca -0.01 1.50 -0.15 0.00 0.02 0.00 0.00 61.00 62.37 3hsd s PRO 43 Cb -0.20 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 3hsd s PRO 43 CO -0.05 -1.54 1.09 -2.14 -0.33 0.00 0.00 177.00 174.02 3hsd s PRO 44 N -4.12 2.96 0.16 5.54 0.02 -1.26 -4.89 135.00 133.41 3hsd s PRO 44 Ca 0.69 1.28 -0.18 0.00 0.02 0.00 0.00 61.00 62.81 3hsd s PRO 44 Cb -0.23 -1.98 -0.07 0.00 0.02 0.00 0.00 34.50 32.24 3hsd s PRO 44 CO 0.45 -1.11 0.64 -0.51 -0.33 0.00 0.00 177.00 176.13 3hsd s LEU 45 N -4.85 4.39 0.00 -5.54 1.43 -1.26 -4.95 118.68 107.90 3hsd s LEU 45 Ca 0.65 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3hsd s LEU 45 Cb -0.18 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.71 3hsd s LEU 45 CO 0.42 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.72 3hsd n GLY 46 N 0.99 1.76 0.23 -3.19 0.00 -1.26 -4.75 105.19 98.96 3hsd n GLY 46 Ca -0.05 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.27 3hsd n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hsd h PRO 47 N 0.00 0.00 -6.61 1.61 0.13 -2.06 -3.45 132.00 121.63 3hsd h PRO 47 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 3hsd h PRO 47 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 3hsd h PRO 47 CO 0.00 0.20 0.57 0.94 -0.23 0.00 0.00 178.00 179.48 3hsd n GLN 48 N -3.84 2.01 -2.57 0.86 7.27 -1.26 -4.86 117.38 114.99 3hsd n GLN 48 Ca -0.02 0.71 -0.43 0.00 0.07 0.00 0.00 57.00 57.34 3hsd n GLN 48 Cb 0.30 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.61 3hsd n GLN 48 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3hsd n ASP 49 N 1.84 5.02 -4.94 1.69 2.03 -1.26 -4.94 116.55 115.99 3hsd n ASP 49 Ca 0.10 -3.01 -0.24 0.00 0.52 0.00 0.00 54.79 52.16 3hsd n ASP 49 Cb 0.32 -1.56 0.01 0.00 -0.72 0.00 0.00 41.12 39.17 3hsd n ASP 49 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3hsd s GLN 50 N 1.55 3.19 0.32 -0.67 -0.21 -1.26 -5.05 119.66 117.53 3hsd s GLN 50 Ca 0.43 -0.35 -0.29 0.00 0.02 0.00 0.00 55.36 55.18 3hsd s GLN 50 Cb 0.04 -2.54 -0.10 0.00 1.00 0.00 0.00 33.01 31.41 3hsd s GLN 50 CO 0.00 -0.21 1.27 -2.14 -2.12 0.00 0.00 175.29 172.09 3hsd s PRO 51 N -4.56 4.40 0.69 2.91 0.02 -1.26 -4.71 135.00 132.49 3hsd s PRO 51 Ca 0.47 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.46 3hsd s PRO 51 Cb -0.10 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.36 3hsd s PRO 51 CO 0.39 -0.12 1.24 -0.51 -0.33 0.00 0.00 177.00 177.67 3hsd s ASP 52 N -0.57 4.41 -0.08 2.53 1.01 -1.26 -4.69 116.67 118.01 3hsd s ASP 52 Ca 0.48 2.47 -0.05 0.00 0.71 0.00 0.00 52.55 56.16 3hsd s ASP 52 Cb -0.38 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 40.91 3hsd s ASP 52 CO 0.51 -2.13 0.15 0.00 0.21 0.00 0.00 175.17 173.91 3hsd s ALA 53 N -1.72 3.88 -0.18 5.23 0.00 -0.32 -4.47 121.76 124.18 3hsd s ALA 53 Ca 0.78 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 3hsd s ALA 53 Cb -0.33 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3hsd s ALA 53 CO 0.42 0.66 0.44 -1.17 0.00 0.00 0.00 175.76 176.12 3hsd s LEU 54 N -1.33 4.19 -0.02 0.00 0.20 0.18 -0.23 118.68 121.67 3hsd s LEU 54 Ca 0.19 0.64 0.07 0.00 0.69 0.00 0.00 54.13 55.72 3hsd s LEU 54 Cb -0.12 -2.60 -0.02 0.00 -0.43 0.00 0.00 46.19 43.02 3hsd s LEU 54 CO 0.09 -0.07 -0.22 0.20 -0.29 0.00 0.00 176.35 176.06 3hsd s ASN 55 N 0.91 2.59 0.22 3.68 0.01 0.06 -1.82 114.94 120.60 3hsd s ASN 55 Ca 0.22 -0.40 -0.07 0.00 -0.71 0.00 0.00 52.86 51.90 3hsd s ASN 55 Cb -0.15 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.20 3hsd s ASN 55 CO 0.09 0.27 0.30 0.00 -1.51 0.00 0.00 177.10 176.25 3hsd s ALA 56 N -0.52 0.42 0.03 0.60 0.00 0.05 -0.88 121.76 121.45 3hsd s ALA 56 Ca 0.09 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3hsd s ALA 56 Cb -0.09 1.20 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 3hsd s ALA 56 CO -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 175.76 174.95 3hsd s ALA 57 N -4.08 0.66 -0.02 0.00 0.00 -1.26 -0.98 121.76 116.08 3hsd s ALA 57 Ca 0.30 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.70 3hsd s ALA 57 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3hsd s ALA 57 CO 0.10 0.08 -0.15 0.08 0.00 0.00 0.00 175.76 175.87 3hsd s VAL 58 N -0.85 1.19 -0.27 0.00 1.01 -0.13 -1.13 120.40 120.23 3hsd s VAL 58 Ca -0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 3hsd s VAL 58 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3hsd s VAL 58 CO 0.00 0.34 0.35 0.00 0.00 0.00 0.00 175.10 175.80 3hsd s ALA 59 N -0.23 3.56 -0.25 5.51 0.00 0.06 -1.10 121.76 129.30 3hsd s ALA 59 Ca 0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3hsd s ALA 59 Cb -0.07 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 20.41 3hsd s ALA 59 CO 0.00 -0.65 -0.11 -1.17 0.00 0.00 0.00 175.76 173.83 3hsd s LEU 60 N 2.03 3.30 0.10 0.00 2.96 0.87 -0.59 118.68 127.35 3hsd s LEU 60 Ca 0.14 -1.25 -0.31 0.00 -0.22 0.00 0.00 54.13 52.49 3hsd s LEU 60 Cb -0.16 -1.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 3hsd s LEU 60 CO 0.10 -0.17 1.23 -0.70 -1.32 0.00 0.00 176.35 175.50 3hsd s GLU 61 N 1.16 4.42 -0.06 1.98 2.56 -0.12 -0.78 118.70 127.86 3hsd s GLU 61 Ca -0.06 1.85 -0.12 0.00 0.00 0.00 0.00 54.97 56.64 3hsd s GLU 61 Cb -0.19 -3.30 0.02 0.00 2.00 0.00 0.00 34.13 32.66 3hsd s GLU 61 CO -0.06 -0.25 0.29 -0.08 -0.56 0.00 0.00 175.26 174.60 3hsd s THR 62 N 0.82 0.03 -1.71 -1.70 -1.32 -0.16 -0.31 115.64 111.29 3hsd s THR 62 Ca 0.58 -0.28 0.19 0.00 -1.21 0.00 0.00 61.69 60.97 3hsd s THR 62 Cb -0.32 -0.51 0.50 0.00 -1.51 0.00 0.00 72.50 70.67 3hsd s THR 62 CO 0.31 -0.16 1.42 -1.54 -2.21 0.00 0.00 174.62 172.44 3hsd n SER 63 N 2.03 3.54 -4.78 8.08 3.41 -0.64 -1.22 113.62 124.05 3hsd n SER 63 Ca -0.18 -1.98 -0.34 0.00 -0.26 0.00 0.00 58.87 56.11 3hsd n SER 63 Cb 0.57 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 3hsd n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hsd s LEU 64 N -1.06 3.58 0.64 1.04 1.43 -1.26 -5.03 118.68 118.02 3hsd s LEU 64 Ca 0.39 1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 55.32 3hsd s LEU 64 Cb 0.21 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 3hsd s LEU 64 CO 0.28 -1.26 1.08 0.00 0.23 0.00 0.00 176.35 176.67 3hsd s ALA 65 N -2.18 2.61 0.23 4.21 0.00 -1.26 -4.85 121.76 120.52 3hsd s ALA 65 Ca 0.67 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.00 3hsd s ALA 65 Cb -0.19 -3.26 0.37 0.00 0.00 0.00 0.00 23.12 20.03 3hsd s ALA 65 CO 0.33 -1.07 1.78 -1.35 0.00 0.00 0.00 175.76 175.46 3hsd h PRO 66 N 0.12 0.63 0.00 0.00 0.11 -2.00 -1.10 132.00 129.76 3hsd h PRO 66 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3hsd h PRO 66 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3hsd h PRO 66 CO 0.56 0.42 -0.30 0.93 -0.21 0.00 0.00 178.00 179.39 3hsd h GLU 67 N 0.65 0.00 -0.42 1.05 5.08 -1.99 -1.56 114.58 117.39 3hsd h GLU 67 Ca 0.37 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.59 3hsd h GLU 67 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3hsd h GLU 67 CO -0.27 0.30 -0.30 0.93 -1.00 0.00 0.00 179.01 178.67 3hsd h GLU 68 N 0.00 0.95 -0.62 2.33 5.08 -1.62 -1.34 114.58 119.35 3hsd h GLU 68 Ca -0.00 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3hsd h GLU 68 Cb 0.85 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 3hsd h GLU 68 CO 0.04 1.12 0.29 1.25 -1.00 0.00 0.00 179.01 180.70 3hsd h LEU 69 N 0.78 0.83 -0.99 1.33 5.85 -0.87 -2.56 115.31 119.68 3hsd h LEU 69 Ca 0.08 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3hsd h LEU 69 Cb 0.89 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3hsd h LEU 69 CO 0.08 0.74 0.64 0.25 -0.34 0.00 0.00 178.44 179.82 3hsd h LEU 70 N 0.86 1.05 -0.81 2.25 5.85 -1.13 -0.47 115.31 122.91 3hsd h LEU 70 Ca 0.21 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.03 3hsd h LEU 70 Cb 0.14 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 3hsd h LEU 70 CO -0.02 0.70 0.44 0.78 -0.34 0.00 0.00 178.44 180.00 3hsd h ASN 71 N 1.21 0.61 -0.10 1.25 2.35 -0.84 0.19 115.58 120.25 3hsd h ASN 71 Ca 0.41 0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 56.10 3hsd h ASN 71 Cb 0.07 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3hsd h ASN 71 CO -0.15 0.34 -0.37 0.45 -1.65 0.00 0.00 177.43 176.05 3hsd h HIS 72 N 0.73 0.57 -0.80 1.19 3.86 -1.11 -2.03 115.15 117.56 3hsd h HIS 72 Ca 0.40 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3hsd h HIS 72 Cb 0.41 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 3hsd h HIS 72 CO -0.07 0.98 0.35 1.79 0.86 0.00 0.00 177.93 181.84 3hsd h THR 73 N -0.01 1.26 -0.64 2.45 1.35 -0.78 -0.50 112.91 116.03 3hsd h THR 73 Ca -0.02 -0.76 -0.08 0.00 -0.55 0.00 0.00 66.41 65.00 3hsd h THR 73 Cb 1.01 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3hsd h THR 73 CO 0.08 0.32 0.08 1.56 -0.25 0.00 0.00 175.52 177.30 3hsd h GLN 74 N 1.14 1.08 -0.19 4.72 4.20 -1.02 -1.69 115.11 123.35 3hsd h GLN 74 Ca 0.27 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3hsd h GLN 74 Cb 0.17 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3hsd h GLN 74 CO -0.03 1.01 0.03 -0.09 -0.67 0.00 0.00 178.83 179.09 3hsd h ARG 75 N 1.00 0.10 -0.46 1.46 2.43 -1.00 -0.97 114.38 116.94 3hsd h ARG 75 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3hsd h ARG 75 Cb 0.48 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3hsd h ARG 75 CO 0.02 0.07 0.30 0.82 -1.51 0.00 0.00 179.97 179.67 3hsd h ILE 76 N 0.11 1.12 -0.47 1.20 2.04 -0.87 -0.20 117.51 120.43 3hsd h ILE 76 Ca 0.09 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3hsd h ILE 76 Cb 0.08 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3hsd h ILE 76 CO -0.12 0.12 0.25 -0.33 0.00 0.00 0.00 178.15 178.07 3hsd h GLU 77 N 0.63 0.48 -0.21 2.37 5.08 -1.09 0.50 114.58 122.34 3hsd h GLU 77 Ca 0.17 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 3hsd h GLU 77 Cb -0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3hsd h GLU 77 CO -0.04 0.32 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.92 3hsd h LEU 78 N 0.50 0.43 0.20 1.33 3.38 -0.75 0.18 115.31 120.58 3hsd h LEU 78 Ca 0.20 -0.16 -0.31 0.00 0.09 0.00 0.00 57.88 57.70 3hsd h LEU 78 Cb 0.08 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.74 3hsd h LEU 78 CO -0.13 0.72 -1.41 1.56 0.09 0.00 0.00 178.44 179.28 3hsd h GLN 79 N 0.37 0.42 0.03 1.13 4.20 -0.73 -3.37 115.11 117.15 3hsd h GLN 79 Ca 0.05 -0.72 -0.31 0.00 0.06 0.00 0.00 58.65 57.73 3hsd h GLN 79 Cb 0.73 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 3hsd h GLN 79 CO 0.06 1.34 -1.80 0.94 -0.67 0.00 0.00 178.83 178.69 3hsd n GLN 80 N -3.63 0.66 0.00 1.46 7.27 0.14 -5.03 117.38 118.26 3hsd n GLN 80 Ca -0.14 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.21 3hsd n GLN 80 Cb 1.07 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.96 3hsd n GLN 80 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hsd n GLY 81 N 1.66 4.98 4.20 1.69 0.00 0.62 -4.91 105.19 113.42 3hsd n GLY 81 Ca -0.21 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3hsd n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsd n ARG 82 N 0.00 -1.00 0.08 1.61 1.74 -1.23 -4.74 116.66 113.11 3hsd n ARG 82 Ca 0.00 0.13 -0.15 0.00 -0.77 0.00 0.00 57.85 57.05 3hsd n ARG 82 Cb 0.00 -3.40 -0.08 0.00 -1.02 0.00 0.00 32.46 27.97 3hsd n ARG 82 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hsd h VAL 83 N -2.04 1.40 -4.05 1.55 2.07 -1.92 -3.46 116.25 109.80 3hsd h VAL 83 Ca -0.67 -2.56 -0.40 0.00 0.82 0.00 0.00 66.70 63.88 3hsd h VAL 83 Cb 1.40 2.56 -0.27 0.00 -1.52 0.00 0.00 31.29 33.45 3hsd h VAL 83 CO 0.64 0.76 -0.78 -0.13 0.02 0.00 0.00 177.57 178.08 3hsd s ARG 84 N -3.11 0.80 0.47 1.57 0.52 -1.26 -5.03 118.95 112.91 3hsd s ARG 84 Ca -0.06 -0.47 0.18 0.00 -0.52 0.00 0.00 55.73 54.85 3hsd s ARG 84 Cb 0.08 -0.77 1.16 0.00 0.52 0.00 0.00 34.95 35.94 3hsd s ARG 84 CO 0.88 0.20 1.99 -0.22 0.02 0.00 0.00 175.30 178.18 3hsd h LYS 85 N 5.58 0.25 0.00 3.54 3.64 -2.03 -0.74 116.57 126.82 3hsd h LYS 85 Ca -0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3hsd h LYS 85 Cb 1.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3hsd h LYS 85 CO 0.48 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3hsd h ALA 86 N 1.73 1.00 0.00 5.00 0.00 -1.96 -1.61 119.26 123.42 3hsd h ALA 86 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hsd h ALA 86 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hsd h ALA 86 CO -0.05 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.13 3hsd h GLU 87 N 0.00 0.00 -0.31 0.00 5.08 -1.34 -2.34 114.58 115.67 3hsd h GLU 87 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3hsd h GLU 87 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3hsd h GLU 87 CO 0.00 0.00 -0.10 -0.09 -1.00 0.00 0.00 179.01 177.82 3hsd h ARG 88 N 0.00 0.52 -0.12 2.33 2.43 -1.48 -3.20 114.38 114.85 3hsd h ARG 88 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3hsd h ARG 88 Cb 0.16 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3hsd h ARG 88 CO 0.00 0.62 0.00 -2.67 -1.51 0.00 0.00 179.97 176.41 3hsd n TRP 89 N -4.21 0.15 -2.75 2.20 2.14 -0.92 -5.05 117.44 108.99 3hsd n TRP 89 Ca 0.01 -0.21 0.00 0.00 2.07 0.00 0.00 57.50 59.37 3hsd n TRP 89 Cb 0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 30.80 3hsd n TRP 89 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3hsd n GLY 90 N 0.39 4.99 3.64 -1.67 0.00 -0.97 -5.13 105.19 106.44 3hsd n GLY 90 Ca 0.07 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 3hsd n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hsd n PRO 91 N 0.00 1.48 -4.12 1.61 -0.02 -1.26 -4.80 135.00 127.88 3hsd n PRO 91 Ca 0.00 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3hsd n PRO 91 Cb 0.00 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.22 3hsd n PRO 91 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3hsd s ARG 92 N -2.15 0.70 0.05 -0.52 3.03 -1.26 -4.44 118.95 114.37 3hsd s ARG 92 Ca 0.64 -1.12 -0.18 0.00 2.03 0.00 0.00 55.73 57.09 3hsd s ARG 92 Cb -0.53 -0.18 -0.14 0.00 -1.03 0.00 0.00 34.95 33.07 3hsd s ARG 92 CO 0.56 -0.01 1.31 1.15 -1.13 0.00 0.00 175.30 177.19 3hsd h THR 93 N 3.51 1.35 -2.36 4.99 2.02 -1.90 -1.99 112.91 118.53 3hsd h THR 93 Ca -0.35 -1.53 -0.06 0.00 0.77 0.00 0.00 66.41 65.24 3hsd h THR 93 Cb 1.18 1.93 -0.24 0.00 -1.74 0.00 0.00 68.15 69.28 3hsd h THR 93 CO 0.57 0.46 -0.15 -0.22 0.37 0.00 0.00 175.52 176.55 3hsd s LEU 94 N -8.89 -0.46 -0.14 2.58 2.96 -1.26 -4.51 118.68 108.96 3hsd s LEU 94 Ca -0.13 1.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.95 3hsd s LEU 94 Cb 0.06 1.82 0.03 0.00 0.50 0.00 0.00 46.19 48.60 3hsd s LEU 94 CO 0.79 -0.21 -0.10 -0.62 -1.32 0.00 0.00 176.35 174.89 3hsd s ASP 95 N 1.45 2.50 -0.22 3.68 2.15 0.10 -4.65 116.67 121.67 3hsd s ASP 95 Ca -0.09 -0.43 -0.00 0.00 0.43 0.00 0.00 52.55 52.45 3hsd s ASP 95 Cb -0.07 -1.01 0.02 0.00 -0.30 0.00 0.00 42.92 41.57 3hsd s ASP 95 CO -0.15 -0.10 -0.12 -0.76 -0.17 0.00 0.00 175.17 173.88 3hsd s LEU 96 N 1.59 2.80 -0.13 -1.34 1.43 -1.26 -1.47 118.68 120.30 3hsd s LEU 96 Ca 0.04 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 3hsd s LEU 96 Cb -0.13 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3hsd s LEU 96 CO -0.09 -0.08 -0.22 -1.81 0.23 0.00 0.00 176.35 174.38 3hsd s ASP 97 N 1.30 3.06 -0.43 2.29 1.01 -0.34 -4.92 116.67 118.64 3hsd s ASP 97 Ca 0.01 -0.58 -0.29 0.00 0.71 0.00 0.00 52.55 52.40 3hsd s ASP 97 Cb -0.15 -1.41 0.02 0.00 1.01 0.00 0.00 42.92 42.38 3hsd s ASP 97 CO -0.08 0.09 1.31 -0.63 0.21 0.00 0.00 175.17 176.08 3hsd s ILE 98 N 0.72 4.02 -0.15 0.77 1.01 -1.26 0.10 121.20 126.42 3hsd s ILE 98 Ca -0.10 1.05 -0.28 0.00 0.00 0.00 0.00 60.65 61.32 3hsd s ILE 98 Cb -0.16 -4.34 -0.25 0.00 0.01 0.00 0.00 42.46 37.72 3hsd s ILE 98 CO 0.00 -0.83 0.71 0.24 0.00 0.00 0.00 174.94 175.07 3hsd h MET 99 N 10.12 0.00 -3.71 2.79 2.86 -1.02 -3.35 114.93 122.62 3hsd h MET 99 Ca -0.26 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.24 3hsd h MET 99 Cb 1.09 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.55 3hsd h MET 99 CO 1.10 0.99 -0.55 -0.51 1.06 0.00 0.00 176.91 179.00 3hsd s LEU 100 N -8.20 1.79 -0.36 1.22 1.43 -1.09 -1.31 118.68 112.17 3hsd s LEU 100 Ca -0.20 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3hsd s LEU 100 Cb -0.02 0.52 0.12 0.00 0.03 0.00 0.00 46.19 46.84 3hsd s LEU 100 CO 0.67 -0.40 0.17 0.12 0.23 0.00 0.00 176.35 177.14 3hsd s PHE 101 N -1.82 1.47 0.00 0.29 2.19 -1.26 -1.08 117.98 117.77 3hsd s PHE 101 Ca -0.12 -1.88 0.00 0.00 0.33 0.00 0.00 56.93 55.26 3hsd s PHE 101 Cb -0.06 -1.54 0.00 0.00 -1.31 0.00 0.00 43.02 40.11 3hsd s PHE 101 CO -0.01 -0.83 0.00 0.41 1.83 0.00 0.00 175.22 176.62 3hsd n GLY 102 N 4.25 2.30 1.47 13.12 0.00 -0.12 -1.34 105.19 124.88 3hsd n GLY 102 Ca 0.04 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3hsd n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hsd n ASN 103 N 0.31 4.35 -4.77 1.61 3.02 -1.26 -4.87 115.26 113.65 3hsd n ASN 103 Ca 0.00 -2.53 -0.39 0.00 -0.03 0.00 0.00 54.58 51.63 3hsd n ASN 103 Cb 0.00 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.58 3hsd n ASN 103 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hsd s GLU 104 N -2.06 4.08 -0.20 3.52 0.41 -0.45 -4.75 118.70 119.26 3hsd s GLU 104 Ca 0.43 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 56.95 3hsd s GLU 104 Cb 0.30 -2.76 0.02 0.00 -1.78 0.00 0.00 34.13 29.91 3hsd s GLU 104 CO 0.17 -0.33 -0.16 0.08 -0.49 0.00 0.00 175.26 174.53 3hsd s VAL 105 N -1.33 2.35 -0.06 2.63 1.01 -1.26 -4.38 120.40 119.36 3hsd s VAL 105 Ca 0.56 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3hsd s VAL 105 Cb -0.34 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3hsd s VAL 105 CO 0.43 0.45 -0.10 -0.63 0.00 0.00 0.00 175.10 175.25 3hsd s ILE 106 N 1.31 0.99 -0.46 2.22 1.01 0.32 -4.97 121.20 121.63 3hsd s ILE 106 Ca 0.04 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.33 3hsd s ILE 106 Cb -0.14 -0.92 0.17 0.00 0.01 0.00 0.00 42.46 41.58 3hsd s ILE 106 CO -0.10 0.32 0.37 0.59 0.00 0.00 0.00 174.94 176.13 3hsd n ASN 107 N 3.85 0.11 -4.58 3.58 3.02 -1.25 -0.66 115.26 119.34 3hsd n ASN 107 Ca -0.23 -2.52 -0.26 0.00 -0.03 0.00 0.00 54.58 51.53 3hsd n ASN 107 Cb 0.52 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 38.99 3hsd n ASN 107 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hsd s THR 108 N -0.25 1.87 0.34 3.41 -4.23 0.18 -5.01 115.64 111.95 3hsd s THR 108 Ca 0.32 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.86 3hsd s THR 108 Cb 0.03 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 71.10 3hsd s THR 108 CO -0.19 -0.03 1.86 -0.33 -0.54 0.00 0.00 174.62 175.39 3hsd h GLU 109 N 1.87 0.44 0.00 3.99 5.08 -2.04 -2.95 114.58 120.96 3hsd h GLU 109 Ca -0.43 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 3hsd h GLU 109 Cb 1.24 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3hsd h GLU 109 CO 0.78 0.53 -0.49 0.00 -1.00 0.00 0.00 179.01 178.83 3hsd h ARG 110 N 0.42 0.33 -3.87 2.33 3.08 -2.02 -3.47 114.38 111.18 3hsd h ARG 110 Ca 0.08 -0.36 -0.43 0.00 0.07 0.00 0.00 59.98 59.35 3hsd h ARG 110 Cb 0.40 0.10 -0.36 0.00 0.08 0.00 0.00 29.97 30.19 3hsd h ARG 110 CO 0.02 1.05 -0.77 -1.17 -1.07 0.00 0.00 179.97 178.03 3hsd s LEU 111 N -8.38 0.96 -0.12 3.04 2.96 -1.12 -5.12 118.68 110.91 3hsd s LEU 111 Ca -0.14 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3hsd s LEU 111 Cb 0.03 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.27 3hsd s LEU 111 CO 0.80 -0.13 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.63 3hsd s THR 112 N 1.47 1.73 -0.02 3.68 2.01 -1.26 -0.65 115.64 122.60 3hsd s THR 112 Ca -0.02 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.20 3hsd s THR 112 Cb -0.13 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.85 3hsd s THR 112 CO -0.03 0.49 0.02 -0.69 -0.69 0.00 0.00 174.62 173.71 3hsd s VAL 113 N 0.91 -0.00 0.62 3.82 1.01 0.16 -3.53 120.40 123.39 3hsd s VAL 113 Ca -0.07 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 3hsd s VAL 113 Cb -0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3hsd s VAL 113 CO -0.02 0.08 1.21 -2.65 0.00 0.00 0.00 175.10 173.72 3hsd n PRO 114 N 3.94 1.15 -1.62 2.72 -0.02 -1.26 -0.52 135.00 139.40 3hsd n PRO 114 Ca -0.24 0.44 -0.44 0.00 -2.02 0.00 0.00 63.50 61.24 3hsd n PRO 114 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 3hsd n PRO 114 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3hsd n HIS 115 N -1.70 1.53 -1.66 6.00 -0.00 -0.43 -4.80 115.22 114.17 3hsd n HIS 115 Ca 0.14 0.66 -0.57 0.00 -0.00 0.00 0.00 57.72 57.95 3hsd n HIS 115 Cb 0.47 -2.29 -0.07 0.00 -0.00 0.00 0.00 29.99 28.10 3hsd n HIS 115 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 3hsd n TYR 116 N 0.23 1.76 -1.10 1.57 9.36 -1.26 -1.95 117.16 125.76 3hsd n TYR 116 Ca 0.08 0.67 -0.03 0.00 3.32 0.00 0.00 57.90 61.94 3hsd n TYR 116 Cb 0.33 -2.37 -0.01 0.00 -0.63 0.00 0.00 39.34 36.66 3hsd n TYR 116 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3hsd n ASP 117 N 4.08 -5.02 0.24 2.98 2.03 -1.26 -4.86 116.55 114.74 3hsd n ASP 117 Ca 0.24 0.08 0.07 0.00 0.52 0.00 0.00 54.79 55.70 3hsd n ASP 117 Cb 0.12 -2.82 0.56 0.00 -0.72 0.00 0.00 41.12 38.26 3hsd n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hsd h MET 118 N 0.23 0.00 0.00 -0.67 -0.00 -1.74 -1.05 114.93 111.69 3hsd h MET 118 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3hsd h MET 118 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 3hsd h MET 118 CO 0.10 0.13 0.00 1.63 -0.00 0.00 0.00 176.91 178.77 3hsd n LYS 119 N -4.33 0.08 -0.24 -0.10 5.02 -1.26 -1.80 118.16 115.52 3hsd n LYS 119 Ca -0.03 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.55 3hsd n LYS 119 Cb 0.20 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.88 3hsd n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hsd n ASN 120 N -1.41 3.10 -3.99 4.39 3.02 -0.40 -4.92 115.26 115.06 3hsd n ASN 120 Ca 0.05 -2.50 -0.31 0.00 -0.03 0.00 0.00 54.58 51.79 3hsd n ASN 120 Cb 0.13 -0.34 -0.15 0.00 -0.61 0.00 0.00 39.78 38.81 3hsd n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hsd s ARG 121 N -1.88 1.41 0.41 3.52 0.52 -0.75 -4.98 118.95 117.21 3hsd s ARG 121 Ca 0.28 -1.76 0.08 0.00 -0.52 0.00 0.00 55.73 53.82 3hsd s ARG 121 Cb 0.20 -3.05 0.89 0.00 0.52 0.00 0.00 34.95 33.52 3hsd s ARG 121 CO 0.10 -0.93 2.04 0.78 0.02 0.00 0.00 175.30 177.31 3hsd h GLY 122 N 7.68 0.58 2.00 -3.53 0.00 -1.91 -1.07 103.07 106.81 3hsd h GLY 122 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hsd h GLY 122 CO 0.51 0.19 0.00 1.97 0.00 0.00 0.00 176.54 179.21 3hsd n PHE 123 N -4.48 0.35 -0.10 5.60 1.16 -1.26 -1.01 117.46 117.71 3hsd n PHE 123 Ca 0.04 0.14 -0.23 0.00 -1.87 0.00 0.00 57.45 55.53 3hsd n PHE 123 Cb 0.12 -0.72 -0.12 0.00 -1.61 0.00 0.00 39.48 37.15 3hsd n PHE 123 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3hsd n MET 124 N -1.82 0.64 0.01 3.97 2.81 -0.51 -4.57 117.12 117.65 3hsd n MET 124 Ca 0.03 0.28 -0.10 0.00 -1.81 0.00 0.00 57.70 56.09 3hsd n MET 124 Cb 0.18 -1.58 0.04 0.00 -0.71 0.00 0.00 33.22 31.15 3hsd n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3hsd h LEU 125 N -0.47 0.62 0.57 4.03 3.38 -0.82 -2.33 115.31 120.30 3hsd h LEU 125 Ca -0.55 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 3hsd h LEU 125 Cb 1.74 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.31 3hsd h LEU 125 CO -0.19 1.09 -0.28 -0.50 0.09 0.00 0.00 178.44 178.65 3hsd h TRP 126 N 0.41 -0.71 -0.20 1.13 4.06 -1.34 0.13 115.95 119.42 3hsd h TRP 126 Ca -0.01 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 3hsd h TRP 126 Cb 1.17 0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 29.56 3hsd h TRP 126 CO 0.05 -0.41 0.03 -1.00 -3.56 0.00 0.00 178.44 173.55 3hsd h PRO 127 N -0.85 0.29 -0.56 0.49 0.13 -1.79 -1.60 132.00 128.11 3hsd h PRO 127 Ca -0.08 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 3hsd h PRO 127 Cb 0.62 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 3hsd h PRO 127 CO 0.13 0.28 0.16 1.25 -0.23 0.00 0.00 178.00 179.59 3hsd h LEU 128 N 0.29 0.83 -1.14 1.56 5.85 -1.17 -2.87 115.31 118.66 3hsd h LEU 128 Ca 0.07 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 3hsd h LEU 128 Cb 0.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3hsd h LEU 128 CO -0.00 0.83 -0.22 0.15 -0.34 0.00 0.00 178.44 178.86 3hsd h PHE 129 N 0.79 0.37 -0.73 1.25 3.57 -0.07 0.30 116.94 122.41 3hsd h PHE 129 Ca 0.18 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3hsd h PHE 129 Cb 0.31 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3hsd h PHE 129 CO 0.02 0.54 0.42 1.49 -2.23 0.00 0.00 178.31 178.55 3hsd h GLU 130 N 0.31 1.00 0.00 1.11 4.81 -1.11 -2.51 114.58 118.18 3hsd h GLU 130 Ca 0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hsd h GLU 130 Cb 0.56 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hsd h GLU 130 CO 0.04 0.72 -1.10 0.44 -0.73 0.00 0.00 179.01 178.38 3hsd n ILE 131 N -4.50 0.39 -3.08 2.32 -5.35 -1.02 -4.56 119.36 103.56 3hsd n ILE 131 Ca 0.06 -0.43 -0.18 0.00 -0.27 0.00 0.00 62.75 61.93 3hsd n ILE 131 Cb 0.07 -0.13 -0.03 0.00 -1.74 0.00 0.00 39.64 37.81 3hsd n ILE 131 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hsd n ALA 132 N -2.06 1.41 0.27 -1.28 0.00 0.06 -4.99 120.51 113.92 3hsd n ALA 132 Ca 0.00 -2.91 0.13 0.00 0.00 0.00 0.00 53.44 50.66 3hsd n ALA 132 Cb 0.51 -0.96 0.81 0.00 0.00 0.00 0.00 19.45 19.81 3hsd n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hsd h PRO 133 N 3.62 0.00 -0.65 0.00 0.13 -1.66 -1.26 132.00 132.18 3hsd h PRO 133 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3hsd h PRO 133 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3hsd h PRO 133 CO 0.42 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 3hsd n GLU 134 N -4.10 3.59 -1.76 0.86 1.02 -1.26 -4.39 120.64 114.61 3hsd n GLU 134 Ca -0.02 -2.65 -0.41 0.00 -0.02 0.00 0.00 57.16 54.05 3hsd n GLU 134 Cb 0.13 -1.87 -0.01 0.00 -0.02 0.00 0.00 31.44 29.67 3hsd n GLU 134 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hsd n LEU 135 N 1.01 4.51 -4.26 -4.62 0.00 -0.48 -4.90 117.00 108.27 3hsd n LEU 135 Ca 0.24 1.19 -0.32 0.00 0.00 0.00 0.00 56.01 57.12 3hsd n LEU 135 Cb 0.85 -1.60 -0.16 0.00 0.00 0.00 0.00 43.42 42.51 3hsd n LEU 135 CO 0.23 0.11 -0.53 -0.69 0.00 0.00 0.00 177.39 176.51 3hsd s VAL 136 N -0.63 2.31 0.81 1.96 1.01 -1.26 -1.33 120.40 123.27 3hsd s VAL 136 Ca 0.58 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3hsd s VAL 136 Cb -0.49 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.06 3hsd s VAL 136 CO 0.57 0.55 1.09 -0.36 0.00 0.00 0.00 175.10 176.95 3hsd s PHE 137 N 0.36 2.63 0.60 5.22 0.40 0.54 -4.88 117.98 122.84 3hsd s PHE 137 Ca -0.17 1.34 0.30 0.00 -0.60 0.00 0.00 56.93 57.81 3hsd s PHE 137 Cb -0.17 -3.08 1.73 0.00 0.51 0.00 0.00 43.02 42.01 3hsd s PHE 137 CO 0.08 -1.90 2.12 -1.35 0.70 0.00 0.00 175.22 174.86 3hsd h PRO 138 N -1.20 0.00 -0.12 0.24 0.11 -1.88 0.37 132.00 129.52 3hsd h PRO 138 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hsd h PRO 138 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hsd h PRO 138 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3hsd n ASP 139 N -3.69 1.40 0.00 -2.05 5.75 -1.26 -4.91 116.55 111.79 3hsd n ASP 139 Ca 0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3hsd n ASP 139 Cb 0.30 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3hsd n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hsd n GLY 140 N 1.09 0.61 3.72 6.12 0.00 0.12 -5.04 105.19 111.81 3hsd n GLY 140 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hsd n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hsd s GLU 141 N -0.80 4.45 0.14 1.61 2.12 -1.26 -4.72 118.70 120.25 3hsd s GLU 141 Ca 0.00 1.85 -0.30 0.00 0.36 0.00 0.00 54.97 56.88 3hsd s GLU 141 Cb 0.00 -3.29 -0.07 0.00 0.26 0.00 0.00 34.13 31.04 3hsd s GLU 141 CO 0.00 -0.20 0.97 -1.64 -0.54 0.00 0.00 175.26 173.85 3hsd s MET 142 N 0.47 4.72 0.23 4.30 -1.94 -1.26 -0.34 119.30 125.48 3hsd s MET 142 Ca 0.57 1.49 -0.06 0.00 -1.71 0.00 0.00 55.69 55.97 3hsd s MET 142 Cb -0.32 -3.35 0.34 0.00 2.01 0.00 0.00 34.83 33.51 3hsd s MET 142 CO 0.33 0.26 1.80 1.25 -0.01 0.00 0.00 175.02 178.64 3hsd h LEU 143 N 5.25 0.57 -0.83 -0.03 5.85 -1.53 -1.61 115.31 122.97 3hsd h LEU 143 Ca -0.43 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.38 3hsd h LEU 143 Cb 1.21 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3hsd h LEU 143 CO 0.71 0.34 0.52 -0.09 -0.34 0.00 0.00 178.44 179.58 3hsd h ARG 144 N 0.70 0.95 -0.81 1.25 1.12 -1.79 -1.85 114.38 113.94 3hsd h ARG 144 Ca 0.36 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 59.14 3hsd h ARG 144 Cb 0.32 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.03 3hsd h ARG 144 CO -0.24 0.63 0.38 0.37 -3.11 0.00 0.00 179.97 177.99 3hsd h GLN 145 N 0.97 1.18 -0.76 0.20 5.75 -1.72 -1.79 115.11 118.95 3hsd h GLN 145 Ca 0.35 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.69 3hsd h GLN 145 Cb 0.11 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 3hsd h GLN 145 CO -0.15 0.92 0.49 0.82 -2.65 0.00 0.00 178.83 178.26 3hsd h ILE 146 N 1.16 1.13 0.00 2.39 2.04 -0.60 -1.56 117.51 122.07 3hsd h ILE 146 Ca 0.28 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hsd h ILE 146 Cb 0.14 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3hsd h ILE 146 CO -0.03 0.18 0.00 0.18 0.00 0.00 0.00 178.15 178.47 3hsd n LEU 147 N -4.61 0.54 -0.42 1.44 4.77 -0.77 -1.59 117.00 116.37 3hsd n LEU 147 Ca 0.09 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.80 3hsd n LEU 147 Cb 0.07 -0.50 0.27 0.00 -2.33 0.00 0.00 43.42 40.93 3hsd n LEU 147 CO 0.34 -0.39 0.59 1.41 -1.33 0.00 0.00 177.39 178.00 3hsd n HIS 148 N -2.07 0.00 -0.19 -1.77 8.25 -0.64 -4.51 115.22 114.29 3hsd n HIS 148 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3hsd n HIS 148 Cb 0.27 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3hsd n HIS 148 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hsd n THR 149 N -0.16 0.00 -4.70 1.59 -2.24 -0.85 -5.06 114.28 102.86 3hsd n THR 149 Ca 0.13 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 3hsd n THR 149 Cb 0.41 1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 3hsd n THR 149 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hsd s ARG 150 N -0.32 1.54 -1.12 -0.78 0.52 -0.62 -5.06 118.95 113.11 3hsd s ARG 150 Ca 0.00 -1.06 -0.21 0.00 -0.52 0.00 0.00 55.73 53.93 3hsd s ARG 150 Cb 0.00 -1.72 0.03 0.00 0.52 0.00 0.00 34.95 33.77 3hsd s ARG 150 CO 0.00 0.44 1.67 0.00 0.02 0.00 0.00 175.30 177.43 3hsd s ALA 151 N -0.85 2.67 -0.11 2.13 0.00 -1.26 -4.86 121.76 119.48 3hsd s ALA 151 Ca 0.10 -2.37 0.04 0.00 0.00 0.00 0.00 51.96 49.72 3hsd s ALA 151 Cb -0.09 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.44 3hsd s ALA 151 CO 0.02 -3.86 -0.23 -0.06 0.00 0.00 0.00 175.76 171.63 3hsd s PHE 152 N 6.11 2.59 0.44 0.00 0.08 -1.26 -5.05 117.98 120.89 3hsd s PHE 152 Ca 0.54 -1.08 -0.22 0.00 0.12 0.00 0.00 56.93 56.30 3hsd s PHE 152 Cb 0.00 -1.74 -0.09 0.00 -0.57 0.00 0.00 43.02 40.63 3hsd s PHE 152 CO -0.00 -0.44 1.04 -0.51 -0.10 0.00 0.00 175.22 175.21 3hsd s ASP 153 N 0.42 6.57 -0.11 1.36 1.01 -1.26 -5.00 116.67 119.67 3hsd s ASP 153 Ca -0.17 1.97 -0.29 0.00 0.71 0.00 0.00 52.55 54.77 3hsd s ASP 153 Cb -0.17 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 3hsd s ASP 153 CO 0.07 -0.62 1.53 -0.54 0.21 0.00 0.00 175.17 175.82 3hsd s LYS 154 N -2.87 4.15 0.23 8.23 -0.14 -1.26 -4.98 119.74 123.10 3hsd s LYS 154 Ca 0.62 1.96 -0.30 0.00 -1.36 0.00 0.00 55.97 56.90 3hsd s LYS 154 Cb -0.19 -3.93 -0.09 0.00 -1.68 0.00 0.00 37.83 31.95 3hsd s LYS 154 CO 0.23 -0.86 1.24 -0.51 -0.76 0.00 0.00 175.35 174.70 3hsd s LEU 155 N 4.01 4.45 0.71 3.17 1.43 -1.26 -5.01 118.68 126.19 3hsd s LEU 155 Ca 0.67 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 56.03 3hsd s LEU 155 Cb -0.29 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.34 3hsd s LEU 155 CO 0.25 -0.42 1.12 0.20 0.23 0.00 0.00 176.35 177.72 3hsd s ASN 156 N -0.08 4.73 0.66 2.29 0.02 -1.26 -4.84 114.94 116.46 3hsd s ASN 156 Ca 0.52 2.00 -0.14 0.00 -1.02 0.00 0.00 52.86 54.22 3hsd s ASN 156 Cb -0.35 -2.55 -0.00 0.00 0.02 0.00 0.00 41.25 38.37 3hsd s ASN 156 CO 0.41 -1.89 1.08 -0.54 0.02 0.00 0.00 177.10 176.18 3hsd s LYS 157 N -4.34 2.92 0.00 -0.60 -0.14 -1.26 -0.66 119.74 115.66 3hsd s LYS 157 Ca 0.66 1.19 0.00 0.00 -1.36 0.00 0.00 55.97 56.46 3hsd s LYS 157 Cb -0.21 -1.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 3hsd s LYS 157 CO 0.47 -1.13 0.50 1.87 -0.76 0.00 0.00 175.35 176.30