#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsg s VAL 2 N 0.00 4.65 -0.08 12.58 1.01 -1.26 -0.48 120.40 136.81 3hsg s VAL 2 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3hsg s VAL 2 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3hsg s VAL 2 CO 0.00 0.41 0.01 0.00 0.00 0.00 0.00 175.10 175.52 3hsg s ALA 3 N 0.85 3.33 -0.22 5.51 0.00 0.19 -0.27 121.76 131.15 3hsg s ALA 3 Ca 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 3hsg s ALA 3 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 3hsg s ALA 3 CO 0.02 0.59 -0.01 0.71 0.00 0.00 0.00 175.76 177.08 3hsg s TYR 4 N -0.91 3.00 -0.12 0.00 2.02 -0.18 -0.59 117.35 120.57 3hsg s TYR 4 Ca 0.14 -0.72 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 3hsg s TYR 4 Cb -0.11 -2.14 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 3hsg s TYR 4 CO 0.03 -0.45 -0.18 0.42 -1.57 0.00 0.00 175.55 173.81 3hsg s ILE 5 N 1.43 2.62 0.08 2.71 1.01 -0.22 -0.40 121.20 128.43 3hsg s ILE 5 Ca 0.05 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 3hsg s ILE 5 Cb -0.15 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 3hsg s ILE 5 CO -0.00 0.54 0.66 0.00 0.00 0.00 0.00 174.94 176.14 3hsg s ALA 6 N 0.38 3.49 -0.09 9.38 0.00 0.65 -0.81 121.76 134.77 3hsg s ALA 6 Ca -0.14 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.03 3hsg s ALA 6 Cb -0.17 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 3hsg s ALA 6 CO 0.07 0.27 -0.24 0.42 0.00 0.00 0.00 175.76 176.27 3hsg s ILE 7 N -0.75 2.05 0.01 0.00 1.01 -0.39 -1.27 121.20 121.86 3hsg s ILE 7 Ca 0.33 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3hsg s ILE 7 Cb -0.20 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3hsg s ILE 7 CO 0.21 0.56 -0.03 -0.83 0.00 0.00 0.00 174.94 174.85 3hsg s GLY 8 N 0.27 0.20 -0.13 6.18 0.00 -0.53 -1.14 107.32 112.18 3hsg s GLY 8 Ca -0.17 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 3hsg s GLY 8 CO 0.08 -0.33 0.33 -0.45 0.00 0.00 0.00 173.10 172.74 3hsg s SER 9 N -0.62 -0.36 -0.22 1.64 0.15 -0.77 -0.74 113.70 112.79 3hsg s SER 9 Ca -0.05 0.68 0.23 0.00 0.70 0.00 0.00 55.95 57.51 3hsg s SER 9 Cb -0.04 0.66 0.49 0.00 -1.71 0.00 0.00 66.02 65.42 3hsg s SER 9 CO -0.00 -0.13 1.13 -0.46 1.20 0.00 0.00 173.24 174.98 3hsg n ASN 10 N 3.21 1.38 -3.61 5.45 6.94 -0.49 -0.90 115.26 127.24 3hsg n ASN 10 Ca -0.16 -2.02 -0.16 0.00 -0.02 0.00 0.00 54.58 52.23 3hsg n ASN 10 Cb 0.57 -0.42 -0.07 0.00 -2.36 0.00 0.00 39.78 37.50 3hsg n ASN 10 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3hsg s LEU 11 N -3.18 -0.34 -1.13 -4.53 2.96 -1.20 -4.32 118.68 106.94 3hsg s LEU 11 Ca 0.28 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 3hsg s LEU 11 Cb 0.33 2.21 0.00 0.00 0.50 0.00 0.00 46.19 49.24 3hsg s LEU 11 CO -0.06 -0.44 0.96 0.00 -1.32 0.00 0.00 176.35 175.49 3hsg n ALA 12 N 1.63 -1.49 -2.39 5.97 0.00 -1.26 -4.14 120.51 118.83 3hsg n ALA 12 Ca -0.17 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 3hsg n ALA 12 Cb 0.56 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.51 3hsg n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hsg n SER 13 N -2.71 -6.25 -0.29 0.00 7.64 -1.26 -4.48 113.62 106.27 3hsg n SER 13 Ca -0.13 0.82 0.12 0.00 1.01 0.00 0.00 58.87 60.69 3hsg n SER 13 Cb 0.60 -4.09 0.36 0.00 -1.01 0.00 0.00 64.21 60.08 3hsg n SER 13 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3hsg h PRO 14 N 1.93 0.70 -0.59 1.43 0.11 -1.87 -0.15 132.00 133.57 3hsg h PRO 14 Ca 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3hsg h PRO 14 Cb 0.22 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 3hsg h PRO 14 CO 0.09 0.46 0.13 1.25 -0.21 0.00 0.00 178.00 179.72 3hsg h LEU 15 N 0.72 0.87 -0.36 2.35 5.85 -1.93 0.68 115.31 123.49 3hsg h LEU 15 Ca 0.47 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3hsg h LEU 15 Cb 0.75 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3hsg h LEU 15 CO -0.23 0.85 0.15 -0.08 -0.34 0.00 0.00 178.44 178.80 3hsg h GLU 16 N 0.88 0.54 -0.69 1.25 4.81 -1.35 -1.23 114.58 118.78 3hsg h GLU 16 Ca 0.19 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3hsg h GLU 16 Cb 0.34 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3hsg h GLU 16 CO 0.00 0.51 0.20 1.96 -0.73 0.00 0.00 179.01 180.95 3hsg h GLN 17 N 0.44 1.08 -0.21 1.92 1.08 -0.88 -0.30 115.11 118.25 3hsg h GLN 17 Ca 0.12 -0.24 -0.08 0.00 -1.45 0.00 0.00 58.65 57.00 3hsg h GLN 17 Cb 0.16 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3hsg h GLN 17 CO -0.01 0.95 -0.18 0.28 -0.95 0.00 0.00 178.83 178.91 3hsg h VAL 18 N 1.02 1.32 -0.34 -0.54 2.07 -0.81 -0.16 116.25 118.80 3hsg h VAL 18 Ca 0.22 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 3hsg h VAL 18 Cb 0.33 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3hsg h VAL 18 CO -0.00 0.41 -0.18 0.78 0.02 0.00 0.00 177.57 178.59 3hsg h ASN 19 N 0.19 0.63 -0.70 0.57 2.35 -1.13 0.14 115.58 117.62 3hsg h ASN 19 Ca 0.04 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 3hsg h ASN 19 Cb 0.72 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 3hsg h ASN 19 CO 0.05 0.82 0.19 0.00 -1.65 0.00 0.00 177.43 176.84 3hsg h ALA 20 N 1.24 1.01 -0.68 -0.83 0.00 -1.00 -2.51 119.26 116.49 3hsg h ALA 20 Ca 0.09 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3hsg h ALA 20 Cb 0.63 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hsg h ALA 20 CO 0.04 0.65 0.15 0.00 0.00 0.00 0.00 179.25 180.09 3hsg h ALA 21 N 1.15 0.97 -0.72 0.00 0.00 -0.36 -2.01 119.26 118.28 3hsg h ALA 21 Ca 0.23 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hsg h ALA 21 Cb 0.34 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hsg h ALA 21 CO -0.00 0.66 0.46 -0.07 0.00 0.00 0.00 179.25 180.30 3hsg h LEU 22 N 1.04 0.77 -0.66 0.00 3.38 -0.82 0.19 115.31 119.21 3hsg h LEU 22 Ca 0.21 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hsg h LEU 22 Cb 0.39 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3hsg h LEU 22 CO 0.01 0.54 0.44 0.50 0.09 0.00 0.00 178.44 180.01 3hsg h LYS 23 N 0.91 0.87 -0.45 1.13 3.64 -1.10 -0.73 116.57 120.84 3hsg h LYS 23 Ca 0.28 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 3hsg h LYS 23 Cb -0.02 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3hsg h LYS 23 CO -0.10 0.58 -0.17 0.00 -2.27 0.00 0.00 179.45 177.49 3hsg h ALA 24 N 1.24 0.85 -0.57 5.00 0.00 -0.82 -2.74 119.26 122.21 3hsg h ALA 24 Ca 0.24 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hsg h ALA 24 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3hsg h ALA 24 CO -0.05 0.64 0.20 -0.07 0.00 0.00 0.00 179.25 179.97 3hsg h LEU 25 N 0.77 0.77 0.00 0.00 3.38 -0.25 -1.02 115.31 118.96 3hsg h LEU 25 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hsg h LEU 25 Cb 0.70 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hsg h LEU 25 CO 0.05 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.91 3hsg n GLY 26 N -0.98 -0.70 0.63 0.83 0.00 -0.32 -2.36 105.19 102.30 3hsg n GLY 26 Ca 0.05 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3hsg n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hsg n ASP 27 N -1.27 2.27 -4.74 1.61 -0.08 -0.39 -4.87 116.55 109.08 3hsg n ASP 27 Ca 0.06 -1.64 -0.41 0.00 -1.51 0.00 0.00 54.79 51.29 3hsg n ASP 27 Cb 0.10 0.11 -0.03 0.00 2.34 0.00 0.00 41.12 43.64 3hsg n ASP 27 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3hsg s ILE 28 N -1.57 3.17 0.71 5.18 1.01 -0.99 -4.98 121.20 123.73 3hsg s ILE 28 Ca 0.19 0.97 -0.15 0.00 0.00 0.00 0.00 60.65 61.66 3hsg s ILE 28 Cb 0.14 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 39.02 3hsg s ILE 28 CO 0.26 0.15 1.16 -2.84 0.00 0.00 0.00 174.94 173.67 3hsg s PRO 29 N -0.14 2.38 -1.48 2.79 0.02 -1.26 -3.39 135.00 133.92 3hsg s PRO 29 Ca 0.57 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3hsg s PRO 29 Cb -0.37 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3hsg s PRO 29 CO 0.39 -1.61 0.00 0.39 -0.33 0.00 0.00 177.00 175.84 3hsg n GLU 30 N -2.67 -1.74 -3.80 5.54 1.02 -1.26 -4.82 120.64 112.91 3hsg n GLU 30 Ca 0.12 0.83 -0.09 0.00 -0.02 0.00 0.00 57.16 58.00 3hsg n GLU 30 Cb 0.51 -5.33 -0.06 0.00 -0.02 0.00 0.00 31.44 26.54 3hsg n GLU 30 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3hsg s SER 31 N -2.16 -0.02 0.07 1.62 0.01 -1.22 -1.41 113.70 110.60 3hsg s SER 31 Ca 0.00 -0.57 -0.26 0.00 1.31 0.00 0.00 55.95 56.43 3hsg s SER 31 Cb 0.00 0.41 0.08 0.00 0.21 0.00 0.00 66.02 66.71 3hsg s SER 31 CO 0.00 -0.81 0.67 -1.38 0.41 0.00 0.00 173.24 172.13 3hsg s HIS 32 N -3.86 -0.55 0.09 2.43 -3.43 -0.39 -4.79 115.29 104.80 3hsg s HIS 32 Ca 0.06 0.54 -0.30 0.00 -0.80 0.00 0.00 55.06 54.57 3hsg s HIS 32 Cb 0.03 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.64 3hsg s HIS 32 CO -0.09 -0.73 1.06 0.42 -2.00 0.00 0.00 174.74 173.39 3hsg s ILE 33 N -2.90 4.30 -0.18 -5.38 1.01 -1.26 -1.06 121.20 115.73 3hsg s ILE 33 Ca -0.02 1.80 -0.15 0.00 0.00 0.00 0.00 60.65 62.28 3hsg s ILE 33 Cb -0.01 -4.15 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 3hsg s ILE 33 CO -0.06 0.22 -0.03 0.18 0.00 0.00 0.00 174.94 175.26 3hsg n LEU 34 N 3.18 1.84 -3.66 2.97 4.77 0.37 -4.89 117.00 121.60 3hsg n LEU 34 Ca 0.05 0.51 -0.15 0.00 -0.03 0.00 0.00 56.01 56.39 3hsg n LEU 34 Cb 0.48 -0.90 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 3hsg n LEU 34 CO 0.53 -0.08 0.24 0.42 -1.33 0.00 0.00 177.39 177.17 3hsg s THR 35 N -2.34 0.02 -0.02 -5.08 -4.23 -1.17 -5.02 115.64 97.80 3hsg s THR 35 Ca -0.23 -0.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.22 3hsg s THR 35 Cb 0.05 -0.79 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 3hsg s THR 35 CO 0.41 -0.07 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.49 3hsg s VAL 36 N -0.61 1.83 1.08 2.29 1.01 -1.26 -0.53 120.40 124.21 3hsg s VAL 36 Ca -0.07 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 3hsg s VAL 36 Cb -0.03 -1.52 0.23 0.00 0.00 0.00 0.00 36.38 35.06 3hsg s VAL 36 CO 0.05 0.52 1.07 -0.94 0.00 0.00 0.00 175.10 175.80 3hsg s SER 37 N -0.49 1.87 1.16 3.32 1.04 0.05 -4.98 113.70 115.66 3hsg s SER 37 Ca 0.07 1.15 -0.13 0.00 0.48 0.00 0.00 55.95 57.53 3hsg s SER 37 Cb -0.09 -1.79 0.28 0.00 0.10 0.00 0.00 66.02 64.51 3hsg s SER 37 CO -0.00 -3.60 1.03 -0.44 0.98 0.00 0.00 173.24 171.21 3hsg s SER 38 N -3.30 1.05 -0.19 7.02 0.01 -1.26 -4.79 113.70 112.23 3hsg s SER 38 Ca 0.67 1.42 -0.09 0.00 1.31 0.00 0.00 55.95 59.26 3hsg s SER 38 Cb -0.19 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 3hsg s SER 38 CO 0.59 -4.14 0.10 -0.36 0.41 0.00 0.00 173.24 169.84 3hsg s PHE 39 N -2.53 3.35 -0.05 2.43 0.08 -1.26 -4.63 117.98 115.36 3hsg s PHE 39 Ca 0.68 0.23 0.03 0.00 0.12 0.00 0.00 56.93 58.00 3hsg s PHE 39 Cb -0.24 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.05 3hsg s PHE 39 CO 0.64 0.24 -0.14 0.71 -0.10 0.00 0.00 175.22 176.57 3hsg s TYR 40 N 0.37 2.72 -0.12 0.36 1.51 -0.34 -0.16 117.35 121.68 3hsg s TYR 40 Ca 0.06 -0.15 -0.17 0.00 -1.01 0.00 0.00 57.07 55.81 3hsg s TYR 40 Cb -0.12 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 3hsg s TYR 40 CO -0.01 0.19 0.41 0.50 -1.11 0.00 0.00 175.55 175.53 3hsg s ARG 41 N -0.72 4.29 -0.23 -0.62 3.52 0.03 -0.80 118.95 124.41 3hsg s ARG 41 Ca 0.11 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 3hsg s ARG 41 Cb -0.11 -3.42 0.06 0.00 -1.56 0.00 0.00 34.95 29.92 3hsg s ARG 41 CO 0.01 0.22 -0.04 0.95 -0.81 0.00 0.00 175.30 175.62 3hsg s THR 42 N 0.46 1.39 0.80 4.11 -4.23 -0.06 -4.31 115.64 113.80 3hsg s THR 42 Ca 0.23 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 59.49 3hsg s THR 42 Cb -0.14 -1.68 0.08 0.00 1.34 0.00 0.00 72.50 72.09 3hsg s THR 42 CO 0.08 -0.10 1.19 -2.84 -0.54 0.00 0.00 174.62 172.41 3hsg s PRO 43 N 1.46 1.74 0.32 3.99 0.02 -1.26 -1.21 135.00 140.05 3hsg s PRO 43 Ca -0.05 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 62.36 3hsg s PRO 43 Cb -0.18 -1.79 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 3hsg s PRO 43 CO -0.06 -2.12 1.39 -2.30 -0.33 0.00 0.00 177.00 173.57 3hsg n PRO 44 N -3.28 2.26 0.19 5.54 -0.02 -1.26 -4.85 135.00 133.57 3hsg n PRO 44 Ca 0.13 0.80 0.12 0.00 -2.02 0.00 0.00 63.50 62.52 3hsg n PRO 44 Cb 0.51 -2.44 0.15 0.00 -0.02 0.00 0.00 33.50 31.69 3hsg n PRO 44 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hsg h LEU 45 N 3.30 0.00 0.00 2.45 5.85 -1.92 -3.47 115.31 121.52 3hsg h LEU 45 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hsg h LEU 45 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3hsg h LEU 45 CO 0.68 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 3hsg n GLY 46 N 1.13 5.89 0.06 3.75 0.00 -1.26 -5.03 105.19 109.73 3hsg n GLY 46 Ca 0.03 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.06 3hsg n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hsg n PRO 47 N -0.04 0.11 -2.28 1.61 -0.04 -1.26 -4.87 135.00 128.23 3hsg n PRO 47 Ca 0.00 0.23 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 3hsg n PRO 47 Cb 0.00 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 3hsg n PRO 47 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3hsg s GLN 48 N -3.11 4.45 -1.09 0.54 0.74 -1.26 -4.93 119.66 115.00 3hsg s GLN 48 Ca 0.09 2.00 -0.20 0.00 0.05 0.00 0.00 55.36 57.29 3hsg s GLN 48 Cb 0.12 -3.19 0.08 0.00 1.10 0.00 0.00 33.01 31.13 3hsg s GLN 48 CO 0.44 -0.13 1.46 0.34 -0.55 0.00 0.00 175.29 176.85 3hsg s ASP 49 N -0.03 6.66 0.28 6.67 2.15 -1.26 -4.93 116.67 126.22 3hsg s ASP 49 Ca 0.53 -1.96 0.10 0.00 0.43 0.00 0.00 52.55 51.65 3hsg s ASP 49 Cb -0.35 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 39.69 3hsg s ASP 49 CO 0.41 -1.27 -0.15 -1.10 -0.17 0.00 0.00 175.17 172.89 3hsg s GLN 50 N 4.03 1.63 0.69 4.34 -0.21 -1.26 -5.03 119.66 123.85 3hsg s GLN 50 Ca 0.45 -1.78 -0.15 0.00 0.02 0.00 0.00 55.36 53.90 3hsg s GLN 50 Cb -0.00 -1.58 0.02 0.00 1.00 0.00 0.00 33.01 32.44 3hsg s GLN 50 CO -0.05 0.23 1.16 -2.14 -2.12 0.00 0.00 175.29 172.38 3hsg s PRO 51 N -3.58 2.51 0.51 2.91 0.02 -1.26 -4.73 135.00 131.38 3hsg s PRO 51 Ca 0.29 1.58 -0.22 0.00 0.02 0.00 0.00 61.00 62.68 3hsg s PRO 51 Cb -0.02 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 3hsg s PRO 51 CO 0.14 -1.51 1.08 -0.25 -0.33 0.00 0.00 177.00 176.12 3hsg n ASP 52 N -2.50 1.46 -4.91 2.53 9.92 -1.26 -4.65 116.55 117.15 3hsg n ASP 52 Ca 0.12 0.94 -0.32 0.00 -0.53 0.00 0.00 54.79 55.00 3hsg n ASP 52 Cb 0.51 -1.42 -0.04 0.00 -0.64 0.00 0.00 41.12 39.52 3hsg n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hsg s ALA 53 N -1.37 3.90 -0.24 2.24 0.00 -0.35 -4.61 121.76 121.33 3hsg s ALA 53 Ca 0.69 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 3hsg s ALA 53 Cb -0.47 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 3hsg s ALA 53 CO 0.52 0.74 0.17 -1.17 0.00 0.00 0.00 175.76 176.02 3hsg s LEU 54 N -2.45 4.11 -0.01 0.00 0.20 -0.08 -0.89 118.68 119.56 3hsg s LEU 54 Ca 0.36 0.11 0.08 0.00 0.69 0.00 0.00 54.13 55.37 3hsg s LEU 54 Cb -0.13 -2.12 -0.02 0.00 -0.43 0.00 0.00 46.19 43.49 3hsg s LEU 54 CO 0.25 0.05 -0.24 0.20 -0.29 0.00 0.00 176.35 176.31 3hsg s ASN 55 N 1.13 2.87 0.28 3.68 -0.87 0.02 -1.84 114.94 120.21 3hsg s ASN 55 Ca 0.08 -0.46 -0.10 0.00 -1.57 0.00 0.00 52.86 50.81 3hsg s ASN 55 Cb -0.14 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.79 3hsg s ASN 55 CO 0.05 0.29 0.50 0.00 -2.57 0.00 0.00 177.10 175.37 3hsg s ALA 56 N -0.61 0.03 0.02 0.60 0.00 -0.29 -1.19 121.76 120.31 3hsg s ALA 56 Ca 0.10 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3hsg s ALA 56 Cb -0.09 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3hsg s ALA 56 CO -0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 175.76 174.84 3hsg s ALA 57 N -3.60 0.58 -0.03 0.00 0.00 -1.26 -1.26 121.76 116.18 3hsg s ALA 57 Ca 0.24 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.75 3hsg s ALA 57 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3hsg s ALA 57 CO 0.12 0.07 -0.17 0.54 0.00 0.00 0.00 175.76 176.33 3hsg s VAL 58 N -0.68 1.41 -0.30 0.00 0.11 0.01 -0.77 120.40 120.17 3hsg s VAL 58 Ca -0.03 -0.73 -0.13 0.00 -2.93 0.00 0.00 61.98 58.17 3hsg s VAL 58 Cb -0.06 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 3hsg s VAL 58 CO 0.00 0.40 0.27 0.00 -3.33 0.00 0.00 175.10 172.44 3hsg s ALA 59 N -0.13 3.53 -0.21 1.54 0.00 0.31 -1.05 121.76 125.74 3hsg s ALA 59 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3hsg s ALA 59 Cb -0.10 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.42 3hsg s ALA 59 CO 0.01 -0.73 -0.11 -1.17 0.00 0.00 0.00 175.76 173.75 3hsg s LEU 60 N 1.86 2.63 0.17 0.00 2.96 0.24 -0.48 118.68 126.07 3hsg s LEU 60 Ca 0.09 -0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 3hsg s LEU 60 Cb -0.16 -1.61 -0.07 0.00 0.50 0.00 0.00 46.19 44.84 3hsg s LEU 60 CO 0.11 -0.03 1.12 -0.70 -1.32 0.00 0.00 176.35 175.53 3hsg s GLU 61 N 1.36 4.56 -0.10 1.98 2.12 -0.22 -0.64 118.70 127.77 3hsg s GLU 61 Ca 0.04 1.75 -0.20 0.00 0.36 0.00 0.00 54.97 56.92 3hsg s GLU 61 Cb -0.14 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.02 3hsg s GLU 61 CO -0.08 0.02 0.48 -0.08 -0.54 0.00 0.00 175.26 175.06 3hsg s THR 62 N -0.09 0.02 -2.10 -1.70 -1.32 0.37 -1.26 115.64 109.55 3hsg s THR 62 Ca 0.51 -0.16 0.19 0.00 -1.21 0.00 0.00 61.69 61.02 3hsg s THR 62 Cb -0.30 -0.75 0.32 0.00 -1.51 0.00 0.00 72.50 70.26 3hsg s THR 62 CO 0.35 -0.09 1.26 -1.54 -2.21 0.00 0.00 174.62 172.39 3hsg n SER 63 N 1.82 3.07 -4.76 8.08 3.41 -0.50 -1.30 113.62 123.45 3hsg n SER 63 Ca -0.18 -1.90 -0.33 0.00 -0.26 0.00 0.00 58.87 56.21 3hsg n SER 63 Cb 0.56 -0.18 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 3hsg n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hsg s LEU 64 N -1.36 3.35 0.68 1.04 1.43 -1.26 -5.02 118.68 117.54 3hsg s LEU 64 Ca 0.31 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.35 3hsg s LEU 64 Cb 0.18 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.86 3hsg s LEU 64 CO 0.26 -1.83 1.09 0.00 0.23 0.00 0.00 176.35 176.10 3hsg s ALA 65 N -2.29 2.48 0.24 4.21 0.00 -1.26 -4.84 121.76 120.30 3hsg s ALA 65 Ca 0.68 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 3hsg s ALA 65 Cb -0.22 -3.27 0.37 0.00 0.00 0.00 0.00 23.12 19.99 3hsg s ALA 65 CO 0.43 -1.33 1.80 -1.35 0.00 0.00 0.00 175.76 175.31 3hsg h PRO 66 N -0.33 0.69 0.00 0.00 0.11 -2.00 -0.62 132.00 129.85 3hsg h PRO 66 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3hsg h PRO 66 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hsg h PRO 66 CO 0.54 0.46 -0.36 0.93 -0.21 0.00 0.00 178.00 179.36 3hsg h GLU 67 N 0.71 0.00 -0.39 1.05 5.08 -1.99 -1.42 114.58 117.62 3hsg h GLU 67 Ca 0.37 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.58 3hsg h GLU 67 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hsg h GLU 67 CO -0.25 0.36 -0.36 0.93 -1.00 0.00 0.00 179.01 178.69 3hsg h GLU 68 N 0.00 0.92 -0.44 2.33 5.08 -1.54 -0.45 114.58 120.49 3hsg h GLU 68 Ca -0.00 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hsg h GLU 68 Cb 0.81 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3hsg h GLU 68 CO 0.05 1.12 0.26 1.25 -1.00 0.00 0.00 179.01 180.68 3hsg h LEU 69 N 0.76 0.53 -1.12 1.33 5.85 -0.79 -2.58 115.31 119.28 3hsg h LEU 69 Ca 0.07 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hsg h LEU 69 Cb 0.94 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3hsg h LEU 69 CO 0.09 0.44 0.59 0.25 -0.34 0.00 0.00 178.44 179.47 3hsg h LEU 70 N 0.58 1.00 -0.66 2.25 5.85 -1.13 -0.56 115.31 122.64 3hsg h LEU 70 Ca 0.16 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3hsg h LEU 70 Cb 0.01 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 3hsg h LEU 70 CO -0.03 0.70 0.26 0.78 -0.34 0.00 0.00 178.44 179.82 3hsg h ASN 71 N 1.17 0.27 -0.18 1.25 2.35 -0.70 -0.67 115.58 119.06 3hsg h ASN 71 Ca 0.35 0.08 -0.21 0.00 -0.55 0.00 0.00 56.30 55.97 3hsg h ASN 71 Cb -0.05 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.39 3hsg h ASN 71 CO -0.09 0.15 -0.70 0.45 -1.65 0.00 0.00 177.43 175.58 3hsg h HIS 72 N 0.45 1.06 -0.54 1.19 3.86 -0.88 -1.29 115.15 118.99 3hsg h HIS 72 Ca 0.34 -0.45 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 3hsg h HIS 72 Cb 0.44 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3hsg h HIS 72 CO -0.16 1.28 -0.03 1.79 0.86 0.00 0.00 177.93 181.66 3hsg h THR 73 N 0.54 1.26 -0.44 2.45 1.35 -0.92 -1.14 112.91 116.02 3hsg h THR 73 Ca -0.04 -1.14 -0.03 0.00 -0.55 0.00 0.00 66.41 64.66 3hsg h THR 73 Cb 1.33 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 3hsg h THR 73 CO 0.15 0.41 0.17 1.56 -0.25 0.00 0.00 175.52 177.55 3hsg h GLN 74 N 0.87 0.67 -0.67 4.72 4.20 -1.13 -2.06 115.11 121.70 3hsg h GLN 74 Ca 0.15 -0.12 0.08 0.00 0.06 0.00 0.00 58.65 58.82 3hsg h GLN 74 Cb 0.55 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 3hsg h GLN 74 CO 0.03 0.62 0.33 -0.09 -0.67 0.00 0.00 178.83 179.05 3hsg h ARG 75 N 0.57 0.57 -0.41 1.46 2.43 -1.00 -0.99 114.38 117.01 3hsg h ARG 75 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3hsg h ARG 75 Cb 0.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3hsg h ARG 75 CO -0.01 0.38 0.15 0.82 -1.51 0.00 0.00 179.97 179.80 3hsg h ILE 76 N 0.59 1.20 -0.55 1.20 2.04 -0.93 -0.02 117.51 121.03 3hsg h ILE 76 Ca 0.32 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.59 3hsg h ILE 76 Cb 0.31 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3hsg h ILE 76 CO -0.24 0.23 0.28 -0.33 0.00 0.00 0.00 178.15 178.09 3hsg h GLU 77 N 0.52 0.51 -0.08 2.37 5.08 -0.95 -0.88 114.58 121.15 3hsg h GLU 77 Ca 0.14 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3hsg h GLU 77 Cb 0.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hsg h GLU 77 CO -0.01 0.34 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.83 3hsg h LEU 78 N 0.53 0.19 0.00 1.33 3.38 -0.74 -3.11 115.31 116.89 3hsg h LEU 78 Ca 0.25 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 3hsg h LEU 78 Cb 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hsg h LEU 78 CO -0.18 0.61 -0.98 1.56 0.09 0.00 0.00 178.44 179.54 3hsg h GLN 79 N 0.15 0.00 -6.30 1.13 4.20 -0.71 -3.45 115.11 110.12 3hsg h GLN 79 Ca 0.01 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.15 3hsg h GLN 79 Cb 0.84 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 3hsg h GLN 79 CO 0.07 0.69 0.83 -1.14 -0.67 0.00 0.00 178.83 178.60 3hsg s GLN 80 N -2.80 4.03 3.12 1.46 0.74 -0.36 -4.92 119.66 120.93 3hsg s GLN 80 Ca 0.01 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.42 3hsg s GLN 80 Cb 0.09 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.45 3hsg s GLN 80 CO 0.80 -0.92 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 3hsg n GLY 81 N 3.96 0.04 3.12 2.59 0.00 -1.26 -4.52 105.19 109.13 3hsg n GLY 81 Ca 0.11 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 3hsg n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hsg s ARG 82 N 0.00 3.04 0.20 1.61 0.52 -1.26 -5.06 118.95 118.00 3hsg s ARG 82 Ca 0.00 -2.92 -0.33 0.00 -0.52 0.00 0.00 55.73 51.96 3hsg s ARG 82 Cb 0.00 -3.92 -0.13 0.00 0.52 0.00 0.00 34.95 31.42 3hsg s ARG 82 CO 0.00 -1.23 1.59 0.28 0.02 0.00 0.00 175.30 175.96 3hsg n VAL 83 N 2.91 0.24 -4.00 3.52 0.31 -1.26 -5.00 118.33 115.05 3hsg n VAL 83 Ca 0.16 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.31 3hsg n VAL 83 Cb 0.38 -1.69 -0.12 0.00 -0.91 0.00 0.00 33.84 31.50 3hsg n VAL 83 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hsg s ARG 84 N 0.64 0.32 0.28 5.55 0.52 -1.26 -5.03 118.95 119.97 3hsg s ARG 84 Ca 0.75 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.50 3hsg s ARG 84 Cb -0.61 -0.08 0.64 0.00 0.52 0.00 0.00 34.95 35.41 3hsg s ARG 84 CO 0.39 0.01 1.73 0.87 0.02 0.00 0.00 175.30 178.32 3hsg h LYS 85 N 5.09 0.51 0.00 3.54 1.57 -2.02 -0.91 116.57 124.34 3hsg h LYS 85 Ca -0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3hsg h LYS 85 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3hsg h LYS 85 CO 0.44 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 3hsg n ALA 86 N -2.45 1.42 0.43 3.86 0.00 -1.26 -1.97 120.51 120.54 3hsg n ALA 86 Ca 0.20 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.81 3hsg n ALA 86 Cb 0.55 -1.28 0.45 0.00 0.00 0.00 0.00 19.45 19.17 3hsg n ALA 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hsg n GLU 87 N -1.97 0.15 0.26 0.00 1.02 -0.35 -1.31 120.64 118.45 3hsg n GLU 87 Ca 0.01 0.38 0.16 0.00 -0.02 0.00 0.00 57.16 57.68 3hsg n GLU 87 Cb 0.14 -1.79 0.52 0.00 -0.02 0.00 0.00 31.44 30.29 3hsg n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hsg h ARG 88 N 0.00 0.00 0.00 3.49 3.08 -1.57 -3.31 114.38 116.06 3hsg h ARG 88 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hsg h ARG 88 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hsg h ARG 88 CO 0.00 0.00 0.00 -2.67 -1.07 0.00 0.00 179.97 176.23 3hsg n TRP 89 N -3.07 0.00 -3.21 3.04 2.14 -0.96 -5.09 117.44 110.29 3hsg n TRP 89 Ca 0.02 -0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.56 3hsg n TRP 89 Cb 0.38 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.87 3hsg n TRP 89 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3hsg n GLY 90 N -0.03 5.71 3.63 -1.67 0.00 -0.43 -5.12 105.19 107.28 3hsg n GLY 90 Ca 0.00 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 3hsg n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hsg n PRO 91 N 0.00 1.19 -3.80 1.61 -0.02 -1.26 -4.75 135.00 127.96 3hsg n PRO 91 Ca 0.00 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 3hsg n PRO 91 Cb 0.00 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 3hsg n PRO 91 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hsg s ARG 92 N -2.49 0.01 0.14 -0.52 3.52 -1.26 -4.47 118.95 113.88 3hsg s ARG 92 Ca 0.70 0.15 -0.18 0.00 -0.13 0.00 0.00 55.73 56.28 3hsg s ARG 92 Cb -0.46 -0.13 -0.00 0.00 -1.56 0.00 0.00 34.95 32.79 3hsg s ARG 92 CO 0.51 -0.10 1.77 1.15 -0.81 0.00 0.00 175.30 177.82 3hsg h THR 93 N 5.78 0.98 -2.13 4.11 2.02 -1.91 -1.28 112.91 120.48 3hsg h THR 93 Ca -0.37 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 3hsg h THR 93 Cb 1.16 0.66 -0.22 0.00 -1.74 0.00 0.00 68.15 68.01 3hsg h THR 93 CO 0.48 0.05 0.01 -0.22 0.37 0.00 0.00 175.52 176.21 3hsg s LEU 94 N -10.24 -0.68 -0.09 2.58 2.96 -1.26 -4.48 118.68 107.48 3hsg s LEU 94 Ca -0.13 1.37 -0.00 0.00 -0.22 0.00 0.00 54.13 55.15 3hsg s LEU 94 Cb 0.10 2.23 0.02 0.00 0.50 0.00 0.00 46.19 49.05 3hsg s LEU 94 CO 0.70 -0.23 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.82 3hsg s ASP 95 N 1.04 1.82 -0.29 3.68 2.15 0.08 -4.96 116.67 120.18 3hsg s ASP 95 Ca -0.05 -0.22 -0.02 0.00 0.43 0.00 0.00 52.55 52.68 3hsg s ASP 95 Cb -0.05 -0.69 0.05 0.00 -0.30 0.00 0.00 42.92 41.93 3hsg s ASP 95 CO -0.10 -0.11 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.02 3hsg s LEU 96 N 1.54 3.82 -0.10 -1.34 1.43 -1.26 -1.45 118.68 121.32 3hsg s LEU 96 Ca 0.00 -1.23 0.01 0.00 -1.03 0.00 0.00 54.13 51.88 3hsg s LEU 96 Cb -0.13 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3hsg s LEU 96 CO -0.05 -0.25 -0.12 -1.81 0.23 0.00 0.00 176.35 174.35 3hsg s ASP 97 N 1.26 4.13 -0.46 2.29 1.01 -0.39 -4.89 116.67 119.61 3hsg s ASP 97 Ca -0.05 -0.24 -0.29 0.00 0.71 0.00 0.00 52.55 52.68 3hsg s ASP 97 Cb -0.19 -1.33 0.03 0.00 1.01 0.00 0.00 42.92 42.43 3hsg s ASP 97 CO -0.01 0.24 1.12 -0.63 0.21 0.00 0.00 175.17 176.09 3hsg s ILE 98 N -0.11 4.26 -0.10 0.77 1.01 -1.26 -0.25 121.20 125.51 3hsg s ILE 98 Ca -0.01 1.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.64 3hsg s ILE 98 Cb -0.14 -4.57 -0.20 0.00 0.01 0.00 0.00 42.46 37.56 3hsg s ILE 98 CO 0.03 -0.95 0.79 0.24 0.00 0.00 0.00 174.94 175.06 3hsg h MET 99 N 9.10 -0.04 -3.80 2.79 2.86 -1.08 -3.33 114.93 121.43 3hsg h MET 99 Ca -0.23 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.22 3hsg h MET 99 Cb 1.06 0.01 -0.24 0.00 0.06 0.00 0.00 31.60 32.49 3hsg h MET 99 CO 1.11 0.66 -0.67 -0.51 1.06 0.00 0.00 176.91 178.56 3hsg s LEU 100 N -8.57 2.03 -0.40 1.22 1.43 -1.07 -1.21 118.68 112.11 3hsg s LEU 100 Ca -0.15 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3hsg s LEU 100 Cb -0.01 0.15 0.12 0.00 0.03 0.00 0.00 46.19 46.48 3hsg s LEU 100 CO 0.57 -0.19 0.16 0.12 0.23 0.00 0.00 176.35 177.24 3hsg s PHE 101 N -0.84 2.86 0.00 0.29 5.36 -1.26 -1.01 117.98 123.38 3hsg s PHE 101 Ca -0.09 -2.70 0.00 0.00 -0.96 0.00 0.00 56.93 53.17 3hsg s PHE 101 Cb -0.06 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.16 3hsg s PHE 101 CO -0.00 -0.84 0.00 0.41 -1.46 0.00 0.00 175.22 173.32 3hsg n GLY 102 N 3.90 2.44 1.79 13.12 0.00 0.63 -1.41 105.19 125.66 3hsg n GLY 102 Ca 0.04 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3hsg n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hsg n ASN 103 N 0.53 5.45 -4.85 1.61 4.05 -1.26 -4.94 115.26 115.85 3hsg n ASN 103 Ca 0.00 -2.81 -0.32 0.00 0.45 0.00 0.00 54.58 51.91 3hsg n ASN 103 Cb 0.00 -0.66 -0.03 0.00 1.23 0.00 0.00 39.78 40.32 3hsg n ASN 103 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3hsg s GLU 104 N -2.52 3.91 -0.17 1.20 2.02 -0.50 -4.61 118.70 118.03 3hsg s GLU 104 Ca 0.54 0.87 -0.00 0.00 0.02 0.00 0.00 54.97 56.40 3hsg s GLU 104 Cb 0.39 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.45 3hsg s GLU 104 CO 0.18 -0.25 -0.15 0.08 0.02 0.00 0.00 175.26 175.15 3hsg s VAL 105 N -2.61 2.63 -0.13 2.63 1.01 -1.26 -4.29 120.40 118.38 3hsg s VAL 105 Ca 0.58 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3hsg s VAL 105 Cb -0.10 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3hsg s VAL 105 CO 0.32 0.51 -0.11 -0.63 0.00 0.00 0.00 175.10 175.19 3hsg s ILE 106 N 1.03 1.31 -0.50 2.22 1.01 0.40 -4.98 121.20 121.69 3hsg s ILE 106 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.20 3hsg s ILE 106 Cb -0.15 -1.26 0.14 0.00 0.01 0.00 0.00 42.46 41.20 3hsg s ILE 106 CO -0.04 0.41 0.28 0.20 0.00 0.00 0.00 174.94 175.79 3hsg s ASN 107 N 1.56 4.04 0.11 3.58 0.02 -1.26 -0.66 114.94 122.34 3hsg s ASN 107 Ca 0.04 -2.95 0.01 0.00 -1.02 0.00 0.00 52.86 48.94 3hsg s ASN 107 Cb -0.13 -1.38 -0.04 0.00 0.02 0.00 0.00 41.25 39.72 3hsg s ASN 107 CO -0.09 -0.23 -0.02 0.42 0.02 0.00 0.00 177.10 177.20 3hsg s THR 108 N -0.15 0.45 0.16 1.60 -4.23 -0.64 -5.03 115.64 107.81 3hsg s THR 108 Ca 0.18 -1.91 -0.18 0.00 -1.18 0.00 0.00 61.69 58.60 3hsg s THR 108 Cb -0.23 -1.82 0.09 0.00 1.34 0.00 0.00 72.50 71.88 3hsg s THR 108 CO -0.02 -0.73 1.66 -0.08 -0.54 0.00 0.00 174.62 174.91 3hsg h GLU 109 N 2.93 -0.05 -0.00 3.99 4.81 -2.04 -2.76 114.58 121.45 3hsg h GLU 109 Ca -0.35 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.71 3hsg h GLU 109 Cb 1.18 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 3hsg h GLU 109 CO 0.63 -0.04 -0.78 -0.09 -0.73 0.00 0.00 179.01 178.01 3hsg h ARG 110 N -0.06 0.05 -2.95 1.92 2.43 -2.02 -3.45 114.38 110.31 3hsg h ARG 110 Ca 0.19 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.06 3hsg h ARG 110 Cb 0.34 0.01 -0.34 0.00 -0.42 0.00 0.00 29.97 29.57 3hsg h ARG 110 CO -0.42 0.80 -0.57 -1.17 -1.51 0.00 0.00 179.97 177.11 3hsg s LEU 111 N -7.34 -0.18 -0.17 3.80 2.96 -1.04 -5.12 118.68 111.60 3hsg s LEU 111 Ca -0.01 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3hsg s LEU 111 Cb 0.11 0.55 0.01 0.00 0.50 0.00 0.00 46.19 47.36 3hsg s LEU 111 CO 0.79 -0.24 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.52 3hsg s THR 112 N 2.30 2.27 -0.01 3.68 2.01 -1.26 -1.61 115.64 123.02 3hsg s THR 112 Ca 0.01 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.14 3hsg s THR 112 Cb -0.12 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.45 3hsg s THR 112 CO -0.07 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.67 3hsg s VAL 113 N 1.14 0.21 0.75 3.82 1.01 0.17 -3.83 120.40 123.67 3hsg s VAL 113 Ca 0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 3hsg s VAL 113 Cb -0.14 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3hsg s VAL 113 CO -0.08 0.10 0.86 -2.65 0.00 0.00 0.00 175.10 173.33 3hsg n PRO 114 N 3.43 0.34 -1.58 2.72 -0.02 -1.26 -0.45 135.00 138.18 3hsg n PRO 114 Ca -0.18 0.17 -0.50 0.00 -2.02 0.00 0.00 63.50 60.97 3hsg n PRO 114 Cb 0.56 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 3hsg n PRO 114 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3hsg n HIS 115 N -2.71 1.37 0.30 6.00 -0.00 -0.35 -4.79 115.22 115.05 3hsg n HIS 115 Ca 0.12 0.67 0.16 0.00 -0.00 0.00 0.00 57.72 58.67 3hsg n HIS 115 Cb 0.50 -2.30 0.96 0.00 -0.00 0.00 0.00 29.99 29.16 3hsg n HIS 115 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 3hsg h TYR 116 N 3.85 0.00 0.00 1.57 -0.00 -1.93 -2.77 116.97 117.68 3hsg h TYR 116 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3hsg h TYR 116 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.07 3hsg h TYR 116 CO 0.56 0.00 0.00 -3.47 -0.00 0.00 0.00 178.16 175.25 3hsg n ASP 117 N -3.74 1.35 0.19 0.10 2.03 -1.26 -4.80 116.55 110.43 3hsg n ASP 117 Ca -0.03 -1.44 0.06 0.00 0.52 0.00 0.00 54.79 53.90 3hsg n ASP 117 Cb 0.08 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.02 3hsg n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hsg h MET 118 N 0.00 0.12 0.00 -0.67 -0.00 -1.86 -0.69 114.93 111.83 3hsg h MET 118 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3hsg h MET 118 Cb 0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 3hsg h MET 118 CO 0.00 0.15 0.00 1.63 -0.00 0.00 0.00 176.91 178.69 3hsg n LYS 119 N -4.44 0.32 -0.14 -0.10 5.02 -1.26 -1.92 118.16 115.64 3hsg n LYS 119 Ca -0.02 0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.44 3hsg n LYS 119 Cb 0.15 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.80 3hsg n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hsg n ASN 120 N -1.24 2.82 -3.99 4.39 3.02 -0.27 -4.94 115.26 115.05 3hsg n ASN 120 Ca 0.10 -1.84 -0.31 0.00 -0.03 0.00 0.00 54.58 52.50 3hsg n ASN 120 Cb 0.14 -0.18 -0.15 0.00 -0.61 0.00 0.00 39.78 38.98 3hsg n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hsg s ARG 121 N -1.09 1.64 0.47 3.52 0.52 -0.81 -4.98 118.95 118.23 3hsg s ARG 121 Ca 0.25 -1.48 0.13 0.00 -0.52 0.00 0.00 55.73 54.11 3hsg s ARG 121 Cb 0.14 -2.88 1.10 0.00 0.52 0.00 0.00 34.95 33.84 3hsg s ARG 121 CO 0.20 -0.78 2.10 0.78 0.02 0.00 0.00 175.30 177.62 3hsg h GLY 122 N 7.77 0.26 2.00 -3.53 0.00 -1.92 -0.46 103.07 107.19 3hsg h GLY 122 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3hsg h GLY 122 CO 0.48 0.09 0.00 1.97 0.00 0.00 0.00 176.54 179.08 3hsg n PHE 123 N -4.50 0.24 -0.12 5.60 1.16 -1.26 -1.06 117.46 117.52 3hsg n PHE 123 Ca 0.01 0.09 -0.24 0.00 -1.87 0.00 0.00 57.45 55.43 3hsg n PHE 123 Cb 0.12 -0.64 -0.11 0.00 -1.61 0.00 0.00 39.48 37.24 3hsg n PHE 123 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3hsg n MET 124 N -1.71 0.62 -0.19 3.97 2.81 -0.48 -4.53 117.12 117.61 3hsg n MET 124 Ca 0.04 0.27 -0.09 0.00 -1.81 0.00 0.00 57.70 56.11 3hsg n MET 124 Cb 0.23 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.19 3hsg n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3hsg h LEU 125 N -0.60 0.94 -0.09 4.03 3.38 -0.91 -2.37 115.31 119.69 3hsg h LEU 125 Ca -0.59 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 3hsg h LEU 125 Cb 1.70 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 3hsg h LEU 125 CO -0.24 1.01 -0.03 -0.50 0.09 0.00 0.00 178.44 178.77 3hsg h TRP 126 N 0.84 0.19 -0.44 1.13 4.06 -1.35 -0.10 115.95 120.28 3hsg h TRP 126 Ca 0.16 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 61.02 3hsg h TRP 126 Cb 0.53 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 3hsg h TRP 126 CO 0.04 0.50 0.11 -1.35 -3.56 0.00 0.00 178.44 174.18 3hsg h PRO 127 N -0.17 0.66 -0.61 0.49 0.11 -1.77 -2.07 132.00 128.64 3hsg h PRO 127 Ca 0.02 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3hsg h PRO 127 Cb 0.44 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 3hsg h PRO 127 CO 0.01 0.59 0.33 1.25 -0.21 0.00 0.00 178.00 179.98 3hsg h LEU 128 N 0.64 0.76 -1.47 2.35 5.85 -1.27 -2.58 115.31 119.59 3hsg h LEU 128 Ca 0.15 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3hsg h LEU 128 Cb 0.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hsg h LEU 128 CO -0.00 0.64 -0.07 0.15 -0.34 0.00 0.00 178.44 178.81 3hsg h PHE 129 N 0.82 0.26 -0.66 1.25 3.57 -0.50 0.14 116.94 121.82 3hsg h PHE 129 Ca 0.21 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3hsg h PHE 129 Cb 0.05 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3hsg h PHE 129 CO -0.01 0.33 0.21 1.49 -2.23 0.00 0.00 178.31 178.10 3hsg h GLU 130 N 0.25 1.01 0.00 1.11 4.81 -0.99 -2.34 114.58 118.44 3hsg h GLU 130 Ca 0.05 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3hsg h GLU 130 Cb 0.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hsg h GLU 130 CO 0.01 0.87 -1.26 0.44 -0.73 0.00 0.00 179.01 178.34 3hsg n ILE 131 N -4.27 0.18 -3.09 2.32 -5.35 -0.89 -4.61 119.36 103.65 3hsg n ILE 131 Ca 0.05 -0.33 -0.18 0.00 -0.27 0.00 0.00 62.75 62.02 3hsg n ILE 131 Cb 0.22 0.14 -0.02 0.00 -1.74 0.00 0.00 39.64 38.23 3hsg n ILE 131 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hsg n ALA 132 N -1.96 1.44 0.30 -1.28 0.00 0.43 -4.98 120.51 114.47 3hsg n ALA 132 Ca 0.00 -2.95 0.18 0.00 0.00 0.00 0.00 53.44 50.67 3hsg n ALA 132 Cb 0.48 -0.96 0.96 0.00 0.00 0.00 0.00 19.45 19.93 3hsg n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hsg h PRO 133 N 3.41 0.00 -0.39 0.00 0.13 -1.63 -1.94 132.00 131.58 3hsg h PRO 133 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3hsg h PRO 133 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hsg h PRO 133 CO 0.42 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 3hsg n GLU 134 N -3.41 2.12 -1.86 0.86 1.02 -1.26 -4.38 120.64 113.73 3hsg n GLU 134 Ca -0.02 -1.72 -0.41 0.00 -0.02 0.00 0.00 57.16 54.98 3hsg n GLU 134 Cb 0.15 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 3hsg n GLU 134 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3hsg s LEU 135 N -1.25 4.35 -0.10 -4.62 0.20 -0.73 -4.90 118.68 111.64 3hsg s LEU 135 Ca 0.34 2.93 0.04 0.00 0.69 0.00 0.00 54.13 58.13 3hsg s LEU 135 Cb 0.19 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.30 3hsg s LEU 135 CO 0.26 -0.82 -0.22 -0.69 -0.29 0.00 0.00 176.35 174.59 3hsg s VAL 136 N -0.69 1.88 0.78 1.68 1.01 -1.26 -1.18 120.40 122.61 3hsg s VAL 136 Ca 0.56 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3hsg s VAL 136 Cb -0.45 -1.64 0.06 0.00 0.00 0.00 0.00 36.38 34.35 3hsg s VAL 136 CO 0.55 0.52 1.08 -0.36 0.00 0.00 0.00 175.10 176.90 3hsg s PHE 137 N 0.44 2.70 0.56 5.22 0.40 0.31 -4.89 117.98 122.73 3hsg s PHE 137 Ca -0.17 1.42 0.26 0.00 -0.60 0.00 0.00 56.93 57.83 3hsg s PHE 137 Cb -0.17 -3.03 1.51 0.00 0.51 0.00 0.00 43.02 41.83 3hsg s PHE 137 CO 0.07 -1.75 2.07 -1.35 0.70 0.00 0.00 175.22 174.96 3hsg h PRO 138 N -1.09 0.00 -0.03 0.24 0.11 -1.89 0.15 132.00 129.49 3hsg h PRO 138 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hsg h PRO 138 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hsg h PRO 138 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 3hsg n ASP 139 N -4.09 0.41 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.41 3hsg n ASP 139 Ca 0.04 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 3hsg n ASP 139 Cb 0.39 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3hsg n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hsg n GLY 140 N 0.91 0.92 3.74 6.12 0.00 0.54 -5.05 105.19 112.36 3hsg n GLY 140 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3hsg n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hsg s GLU 141 N -0.64 4.74 0.07 1.61 2.02 -1.26 -4.73 118.70 120.51 3hsg s GLU 141 Ca 0.00 1.53 -0.29 0.00 0.02 0.00 0.00 54.97 56.23 3hsg s GLU 141 Cb 0.00 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 3hsg s GLU 141 CO 0.00 0.30 0.92 -1.64 0.02 0.00 0.00 175.26 174.86 3hsg s MET 142 N -0.57 4.62 0.24 1.61 -1.94 -1.26 -0.53 119.30 121.47 3hsg s MET 142 Ca 0.45 1.35 -0.06 0.00 -1.71 0.00 0.00 55.69 55.73 3hsg s MET 142 Cb -0.26 -3.40 0.34 0.00 2.01 0.00 0.00 34.83 33.52 3hsg s MET 142 CO 0.32 0.16 1.83 1.25 -0.01 0.00 0.00 175.02 178.56 3hsg h LEU 143 N 5.93 0.71 -1.23 -0.03 5.85 -1.47 -1.92 115.31 123.15 3hsg h LEU 143 Ca -0.43 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 3hsg h LEU 143 Cb 1.21 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3hsg h LEU 143 CO 0.73 0.44 0.20 0.08 -0.34 0.00 0.00 178.44 179.54 3hsg h ARG 144 N 0.84 0.74 -0.08 1.25 0.11 -1.78 -1.74 114.38 113.71 3hsg h ARG 144 Ca 0.37 -0.11 -0.20 0.00 0.10 0.00 0.00 59.98 60.13 3hsg h ARG 144 Cb 0.25 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3hsg h ARG 144 CO -0.20 0.61 -0.79 0.37 0.10 0.00 0.00 179.97 180.06 3hsg h GLN 145 N 0.73 0.52 -0.15 0.08 5.75 -1.78 -0.18 115.11 120.08 3hsg h GLN 145 Ca 0.18 -0.45 0.02 0.00 -0.15 0.00 0.00 58.65 58.24 3hsg h GLN 145 Cb 0.15 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 3hsg h GLN 145 CO -0.02 1.08 0.04 0.82 -2.65 0.00 0.00 178.83 178.11 3hsg h ILE 146 N 0.35 0.95 0.00 2.39 2.04 -1.02 -2.90 117.51 119.32 3hsg h ILE 146 Ca -0.05 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 3hsg h ILE 146 Cb 1.39 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3hsg h ILE 146 CO 0.14 0.02 -0.40 -0.07 0.00 0.00 0.00 178.15 177.84 3hsg h LEU 147 N 0.10 0.00 -0.32 1.44 3.38 -1.24 -2.95 115.31 115.73 3hsg h LEU 147 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hsg h LEU 147 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hsg h LEU 147 CO -0.08 0.40 0.00 1.57 0.09 0.00 0.00 178.44 180.43 3hsg n HIS 148 N -3.62 0.43 0.32 1.13 -0.00 -0.09 -1.23 115.22 112.17 3hsg n HIS 148 Ca -0.01 0.16 0.21 0.00 0.46 0.00 0.00 57.72 58.54 3hsg n HIS 148 Cb 0.51 -0.76 1.10 0.00 -0.12 0.00 0.00 29.99 30.72 3hsg n HIS 148 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 3hsg h THR 149 N 0.00 0.10 -1.62 3.57 1.35 -1.45 -3.46 112.91 111.39 3hsg h THR 149 Ca 0.00 -0.08 -0.34 0.00 -0.55 0.00 0.00 66.41 65.44 3hsg h THR 149 Cb 0.34 1.07 -0.07 0.00 -1.73 0.00 0.00 68.15 67.76 3hsg h THR 149 CO 0.00 0.01 -0.37 0.54 -0.25 0.00 0.00 175.52 175.44 3hsg n ARG 150 N -3.21 -1.25 0.17 4.72 1.74 -0.36 -4.90 116.66 113.56 3hsg n ARG 150 Ca -0.03 0.94 0.13 0.00 -0.77 0.00 0.00 57.85 58.13 3hsg n ARG 150 Cb 0.11 -5.27 0.46 0.00 -1.02 0.00 0.00 32.46 26.74 3hsg n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hsg h ALA 151 N 0.42 1.00 -3.22 7.54 0.00 -1.82 -3.42 119.26 119.75 3hsg h ALA 151 Ca -0.37 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.91 3hsg h ALA 151 Cb 1.20 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.63 3hsg h ALA 151 CO 0.48 0.00 -0.83 -0.06 0.00 0.00 0.00 179.25 178.84 3hsg s PHE 152 N -3.32 2.48 0.35 0.00 0.08 -1.26 -5.07 117.98 111.24 3hsg s PHE 152 Ca 0.06 -1.51 -0.29 0.00 0.12 0.00 0.00 56.93 55.32 3hsg s PHE 152 Cb 0.09 -1.72 -0.11 0.00 -0.57 0.00 0.00 43.02 40.71 3hsg s PHE 152 CO 0.53 -0.74 1.49 -0.25 -0.10 0.00 0.00 175.22 176.15 3hsg n ASP 153 N 4.68 3.68 -4.65 1.36 8.00 -1.26 -4.93 116.55 123.43 3hsg n ASP 153 Ca -0.17 1.21 -0.43 0.00 0.71 0.00 0.00 54.79 56.11 3hsg n ASP 153 Cb 0.49 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.12 39.97 3hsg n ASP 153 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hsg s LYS 154 N -1.70 4.06 0.67 -1.24 2.20 -1.26 -4.95 119.74 117.52 3hsg s LYS 154 Ca 0.56 1.76 -0.16 0.00 -0.36 0.00 0.00 55.97 57.76 3hsg s LYS 154 Cb -0.49 -3.91 0.01 0.00 -1.51 0.00 0.00 37.83 31.92 3hsg s LYS 154 CO 0.60 -0.96 1.20 -0.51 -0.36 0.00 0.00 175.35 175.32 3hsg s LEU 155 N 4.23 3.46 0.53 5.43 1.43 -1.26 -4.99 118.68 127.50 3hsg s LEU 155 Ca 0.65 2.32 -0.20 0.00 -1.03 0.00 0.00 54.13 55.87 3hsg s LEU 155 Cb -0.25 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.32 3hsg s LEU 155 CO 0.24 -1.93 1.12 0.20 0.23 0.00 0.00 176.35 176.21 3hsg s ASN 156 N -1.94 5.83 0.53 2.29 0.01 -1.26 -4.89 114.94 115.51 3hsg s ASN 156 Ca 0.75 2.16 -0.18 0.00 -0.71 0.00 0.00 52.86 54.87 3hsg s ASN 156 Cb -0.29 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 38.73 3hsg s ASN 156 CO 0.40 -1.14 1.04 -0.54 -1.51 0.00 0.00 177.10 175.35 3hsg s LYS 157 N -3.24 3.64 0.00 -0.60 1.02 -1.26 -0.79 119.74 118.51 3hsg s LYS 157 Ca 0.71 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.94 3hsg s LYS 157 Cb -0.23 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3hsg s LYS 157 CO 0.27 -0.55 0.32 1.87 -0.92 0.00 0.00 175.35 176.34