#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl7 s THR 6 N 0.00 4.87 0.39 0.52 2.01 -1.26 -4.98 115.64 117.20 3hl7 s THR 6 Ca 0.00 1.68 -0.01 0.00 0.31 0.00 0.00 61.69 63.67 3hl7 s THR 6 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3hl7 s THR 6 CO 0.00 0.03 0.63 -0.36 -0.69 0.00 0.00 174.62 174.23 3hl7 s PHE 7 N 2.09 3.50 0.02 4.92 0.40 -1.26 -0.77 117.98 126.87 3hl7 s PHE 7 Ca 0.40 0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 57.16 3hl7 s PHE 7 Cb -0.17 -2.04 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 3hl7 s PHE 7 CO 0.13 -0.03 0.08 1.52 0.70 0.00 0.00 175.22 177.62 3hl7 s TYR 8 N -2.46 0.15 -0.01 0.36 1.13 0.18 -4.82 117.35 111.89 3hl7 s TYR 8 Ca 0.43 -0.35 0.05 0.00 -1.41 0.00 0.00 57.07 55.79 3hl7 s TYR 8 Cb -0.10 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 3hl7 s TYR 8 CO 0.39 -0.28 -0.14 0.50 -2.51 0.00 0.00 175.55 173.51 3hl7 s ARG 9 N -1.75 2.38 0.11 -3.49 3.52 -1.26 -2.12 118.95 116.34 3hl7 s ARG 9 Ca -0.12 -0.79 -0.23 0.00 -0.13 0.00 0.00 55.73 54.45 3hl7 s ARG 9 Cb -0.06 -2.34 0.06 0.00 -1.56 0.00 0.00 34.95 31.05 3hl7 s ARG 9 CO -0.01 0.59 0.58 1.14 -0.81 0.00 0.00 175.30 176.80 3hl7 s GLN 10 N -1.12 1.20 -0.19 5.12 -2.07 -0.25 -5.00 119.66 117.36 3hl7 s GLN 10 Ca 0.14 -0.36 -0.10 0.00 -1.82 0.00 0.00 55.36 53.21 3hl7 s GLN 10 Cb -0.11 0.55 -0.05 0.00 -1.09 0.00 0.00 33.01 32.32 3hl7 s GLN 10 CO 0.04 -0.49 0.15 -2.00 -1.32 0.00 0.00 175.29 171.67 3hl7 s GLU 11 N -3.24 4.12 -0.13 9.60 2.12 -1.26 -0.14 118.70 129.77 3hl7 s GLU 11 Ca -0.01 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 3hl7 s GLU 11 Cb -0.01 -3.40 0.05 0.00 0.26 0.00 0.00 34.13 31.04 3hl7 s GLU 11 CO -0.08 0.34 0.06 -0.51 -0.54 0.00 0.00 175.26 174.53 3hl7 s LEU 12 N 0.22 0.48 -1.05 2.70 1.43 0.67 -4.91 118.68 118.22 3hl7 s LEU 12 Ca 0.10 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 3hl7 s LEU 12 Cb -0.11 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 3hl7 s LEU 12 CO -0.01 -0.29 0.82 0.59 0.23 0.00 0.00 176.35 177.69 3hl7 n ASN 13 N 5.22 -6.06 0.00 2.29 4.13 -1.26 -2.33 115.26 117.26 3hl7 n ASN 13 Ca -0.06 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.39 3hl7 n ASN 13 Cb 0.49 -4.15 0.00 0.00 -1.54 0.00 0.00 39.78 34.59 3hl7 n ASN 13 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3hl7 n LYS 14 N -3.51 0.00 -2.76 3.52 3.00 -1.26 -4.91 118.16 112.25 3hl7 n LYS 14 Ca -0.08 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.81 3hl7 n LYS 14 Cb 0.60 -1.25 -0.04 0.00 0.00 0.00 0.00 35.03 34.34 3hl7 n LYS 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hl7 s THR 15 N 0.00 4.62 0.23 3.15 2.01 -0.98 -5.05 115.64 119.62 3hl7 s THR 15 Ca 0.00 2.00 -0.26 0.00 0.31 0.00 0.00 61.69 63.75 3hl7 s THR 15 Cb 0.00 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 3hl7 s THR 15 CO 0.00 0.28 0.85 -0.63 -0.69 0.00 0.00 174.62 174.44 3hl7 s ILE 16 N 0.24 4.28 -0.12 1.82 -1.09 -1.26 -0.24 121.20 124.84 3hl7 s ILE 16 Ca 0.47 1.78 -0.00 0.00 -2.23 0.00 0.00 60.65 60.66 3hl7 s ILE 16 Cb -0.22 -4.12 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 3hl7 s ILE 16 CO 0.28 0.39 -0.09 0.26 -1.23 0.00 0.00 174.94 174.55 3hl7 s TRP 17 N -1.32 1.57 -0.32 3.97 0.52 0.80 -4.94 118.94 119.22 3hl7 s TRP 17 Ca 0.41 -0.79 0.00 0.00 0.02 0.00 0.00 56.10 55.75 3hl7 s TRP 17 Cb -0.22 -1.27 0.07 0.00 -1.15 0.00 0.00 33.47 30.90 3hl7 s TRP 17 CO 0.26 -0.52 0.02 -1.21 0.02 0.00 0.00 176.95 175.52 3hl7 s GLU 18 N 1.63 2.11 0.14 4.98 2.02 -1.26 -1.09 118.70 127.23 3hl7 s GLU 18 Ca 0.04 -1.51 0.06 0.00 0.02 0.00 0.00 54.97 53.58 3hl7 s GLU 18 Cb -0.13 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3hl7 s GLU 18 CO -0.08 -0.75 -0.13 0.14 0.02 0.00 0.00 175.26 174.46 3hl7 s VAL 19 N 1.12 1.36 0.69 2.63 -7.23 -0.90 -4.62 120.40 113.45 3hl7 s VAL 19 Ca -0.01 -1.86 -0.17 0.00 -1.81 0.00 0.00 61.98 58.14 3hl7 s VAL 19 Cb -0.20 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.08 3hl7 s VAL 19 CO -0.04 -0.51 1.25 -2.84 -0.31 0.00 0.00 175.10 172.66 3hl7 s PRO 20 N -3.02 2.35 0.62 4.82 0.02 -1.26 -0.64 135.00 137.89 3hl7 s PRO 20 Ca 0.12 1.93 0.39 0.00 0.02 0.00 0.00 61.00 63.47 3hl7 s PRO 20 Cb -0.03 -1.84 2.07 0.00 0.02 0.00 0.00 34.50 34.73 3hl7 s PRO 20 CO 0.03 -1.72 2.27 0.93 -0.33 0.00 0.00 177.00 178.18 3hl7 h GLU 21 N 0.16 0.00 -0.11 5.54 5.08 -1.27 -2.33 114.58 121.66 3hl7 h GLU 21 Ca -0.49 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 3hl7 h GLU 21 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3hl7 h GLU 21 CO 0.51 0.01 0.10 0.07 -1.00 0.00 0.00 179.01 178.71 3hl7 h ARG 22 N 0.00 0.00 -4.91 2.33 0.11 -1.90 -3.39 114.38 106.62 3hl7 h ARG 22 Ca -0.00 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.41 3hl7 h ARG 22 Cb 0.12 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 31.02 3hl7 h ARG 22 CO 0.00 0.00 -0.29 0.71 0.10 0.00 0.00 179.97 180.49 3hl7 s TYR 23 N -4.78 3.21 0.28 4.08 1.51 -0.88 -0.71 117.35 120.07 3hl7 s TYR 23 Ca -0.05 -0.10 0.11 0.00 -1.01 0.00 0.00 57.07 56.02 3hl7 s TYR 23 Cb 0.16 -2.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.28 3hl7 s TYR 23 CO 0.59 -0.47 -0.10 -0.65 -1.11 0.00 0.00 175.55 173.82 3hl7 s GLN 24 N 2.00 1.95 -1.23 -0.62 -1.52 -0.03 -4.82 119.66 115.40 3hl7 s GLN 24 Ca 0.11 -1.65 -0.00 0.00 -1.95 0.00 0.00 55.36 51.87 3hl7 s GLN 24 Cb -0.17 -1.93 0.00 0.00 -0.22 0.00 0.00 33.01 30.70 3hl7 s GLN 24 CO 0.12 0.31 0.93 0.09 -0.25 0.00 0.00 175.29 176.49 3hl7 n ASN 25 N -0.77 -1.95 -4.75 5.90 3.02 -1.26 -0.78 115.26 114.67 3hl7 n ASN 25 Ca -0.05 -0.67 -0.41 0.00 -0.03 0.00 0.00 54.58 53.41 3hl7 n ASN 25 Cb 0.60 -4.86 -0.02 0.00 -0.61 0.00 0.00 39.78 34.89 3hl7 n ASN 25 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hl7 s LEU 26 N -6.47 4.36 -0.07 3.41 1.02 -1.26 -4.43 118.68 115.26 3hl7 s LEU 26 Ca 0.02 2.83 -0.03 0.00 0.02 0.00 0.00 54.13 56.98 3hl7 s LEU 26 Cb -0.01 -3.63 0.04 0.00 0.02 0.00 0.00 46.19 42.61 3hl7 s LEU 26 CO 0.75 -0.82 0.12 -0.55 0.02 0.00 0.00 176.35 175.87 3hl7 s SER 27 N 0.42 0.85 0.24 2.29 0.15 0.35 -4.95 113.70 113.05 3hl7 s SER 27 Ca 0.61 0.23 -0.31 0.00 0.70 0.00 0.00 55.95 57.18 3hl7 s SER 27 Cb -0.45 0.11 -0.13 0.00 -1.71 0.00 0.00 66.02 63.84 3hl7 s SER 27 CO 0.46 -0.24 1.51 -2.65 1.20 0.00 0.00 173.24 173.52 3hl7 n PRO 28 N 5.25 2.31 0.00 5.44 -0.02 -1.26 0.67 135.00 147.39 3hl7 n PRO 28 Ca -0.05 0.82 0.01 0.00 -2.02 0.00 0.00 63.50 62.26 3hl7 n PRO 28 Cb 0.50 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 3hl7 n PRO 28 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3hl7 n VAL 29 N 2.33 0.00 0.00 -1.45 0.24 0.04 -4.77 118.33 114.72 3hl7 n VAL 29 Ca 0.12 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3hl7 n VAL 29 Cb 0.33 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 3hl7 n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hl7 n GLY 30 N 1.01 0.86 3.84 7.63 0.00 -1.18 -5.02 105.19 112.35 3hl7 n GLY 30 Ca 0.01 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 3hl7 n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hl7 s SER 31 N -3.78 6.83 0.14 1.61 0.01 -1.26 -0.80 113.70 116.45 3hl7 s SER 31 Ca 0.00 1.12 0.01 0.00 1.31 0.00 0.00 55.95 58.39 3hl7 s SER 31 Cb 0.00 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.93 3hl7 s SER 31 CO 0.00 0.04 0.05 0.61 0.41 0.00 0.00 173.24 174.35 3hl7 n GLY 32 N 0.57 3.58 3.63 3.44 0.00 0.76 -4.82 105.19 112.35 3hl7 n GLY 32 Ca -0.03 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 3hl7 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl7 s ALA 33 N -2.23 3.33 -1.45 4.61 0.00 -1.26 -3.31 121.76 121.45 3hl7 s ALA 33 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3hl7 s ALA 33 Cb -0.00 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3hl7 s ALA 33 CO 0.02 -1.84 0.00 0.66 0.00 0.00 0.00 175.76 174.60 3hl7 n TYR 34 N 8.14 -0.64 -3.99 0.00 0.53 -1.26 -4.91 117.16 115.03 3hl7 n TYR 34 Ca 0.18 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 57.07 3hl7 n TYR 34 Cb 0.45 -3.23 0.00 0.00 -1.03 0.00 0.00 39.34 35.54 3hl7 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hl7 n GLY 35 N -1.01 0.33 3.50 2.72 0.00 -1.21 -1.08 105.19 108.44 3hl7 n GLY 35 Ca -0.19 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 3hl7 n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hl7 s SER 36 N -2.09 3.95 -0.07 1.61 0.01 -0.88 -0.17 113.70 116.06 3hl7 s SER 36 Ca 0.12 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.87 3hl7 s SER 36 Cb -0.00 -0.58 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 3hl7 s SER 36 CO -0.01 0.17 -0.22 -0.69 0.41 0.00 0.00 173.24 172.91 3hl7 s VAL 37 N -1.19 1.84 0.01 3.43 1.01 0.02 -0.73 120.40 124.77 3hl7 s VAL 37 Ca 0.19 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.33 3hl7 s VAL 37 Cb -0.10 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3hl7 s VAL 37 CO 0.11 0.51 -0.24 0.00 0.00 0.00 0.00 175.10 175.48 3hl7 s ALA 39 N -0.73 3.22 0.14 0.00 0.00 0.21 -0.29 121.76 124.32 3hl7 s ALA 39 Ca 0.11 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 3hl7 s ALA 39 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3hl7 s ALA 39 CO 0.01 0.19 0.30 0.00 0.00 0.00 0.00 175.76 176.26 3hl7 s ALA 40 N -1.65 -0.27 -0.21 0.00 0.00 0.22 -0.50 121.76 119.35 3hl7 s ALA 40 Ca 0.50 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 3hl7 s ALA 40 Cb -0.18 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 3hl7 s ALA 40 CO 0.23 -0.63 0.07 0.12 0.00 0.00 0.00 175.76 175.55 3hl7 s PHE 41 N -3.91 3.17 -0.54 0.00 5.36 0.04 -0.78 117.98 121.31 3hl7 s PHE 41 Ca 0.11 -0.14 -0.22 0.00 -0.96 0.00 0.00 56.93 55.73 3hl7 s PHE 41 Cb 0.03 -2.15 0.05 0.00 -0.34 0.00 0.00 43.02 40.62 3hl7 s PHE 41 CO -0.05 -0.07 0.80 0.34 -1.46 0.00 0.00 175.22 174.77 3hl7 s ASP 42 N 0.93 6.27 0.49 6.13 2.15 0.29 -0.85 116.67 132.08 3hl7 s ASP 42 Ca 0.04 -0.71 0.26 0.00 0.43 0.00 0.00 52.55 52.57 3hl7 s ASP 42 Cb -0.14 -2.36 1.22 0.00 -0.30 0.00 0.00 42.92 41.33 3hl7 s ASP 42 CO 0.03 -1.10 1.96 0.71 -0.17 0.00 0.00 175.17 176.60 3hl7 h THR 43 N 5.94 0.54 -0.05 1.71 1.35 -1.21 0.35 112.91 121.53 3hl7 h THR 43 Ca -0.27 -0.81 -0.05 0.00 -0.55 0.00 0.00 66.41 64.73 3hl7 h THR 43 Cb 1.08 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3hl7 h THR 43 CO 1.04 0.16 -0.15 0.50 -0.25 0.00 0.00 175.52 176.83 3hl7 h LYS 44 N 0.00 0.20 0.00 4.72 3.64 -1.91 -3.35 116.57 119.86 3hl7 h LYS 44 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3hl7 h LYS 44 Cb 0.53 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3hl7 h LYS 44 CO 0.02 0.75 -1.37 0.25 -2.27 0.00 0.00 179.45 176.83 3hl7 n THR 45 N -4.61 0.06 -0.99 1.00 -2.24 -1.18 -4.96 114.28 101.35 3hl7 n THR 45 Ca -0.08 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3hl7 n THR 45 Cb 0.39 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3hl7 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hl7 n GLY 46 N 1.37 0.38 3.83 3.38 0.00 0.12 -5.03 105.19 109.24 3hl7 n GLY 46 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hl7 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hl7 s LEU 47 N 0.00 4.31 -0.03 0.99 1.43 -1.17 -4.84 118.68 119.36 3hl7 s LEU 47 Ca 0.00 1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 54.05 3hl7 s LEU 47 Cb 0.00 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3hl7 s LEU 47 CO 0.00 0.03 1.00 -0.13 0.23 0.00 0.00 176.35 177.48 3hl7 s ARG 48 N -2.10 4.51 0.25 1.70 0.52 -1.26 -0.55 118.95 122.02 3hl7 s ARG 48 Ca 0.42 1.42 0.09 0.00 -0.52 0.00 0.00 55.73 57.14 3hl7 s ARG 48 Cb -0.15 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 3hl7 s ARG 48 CO 0.20 -0.15 -0.13 0.14 0.02 0.00 0.00 175.30 175.38 3hl7 s VAL 49 N 1.36 1.92 -0.14 3.52 -7.23 0.04 -1.15 120.40 118.71 3hl7 s VAL 49 Ca 0.51 -2.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 3hl7 s VAL 49 Cb -0.20 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 3hl7 s VAL 49 CO 0.25 -0.45 -0.09 0.00 -0.31 0.00 0.00 175.10 174.49 3hl7 s ALA 50 N -2.85 2.77 -0.21 1.32 0.00 0.61 -0.61 121.76 122.78 3hl7 s ALA 50 Ca 0.27 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3hl7 s ALA 50 Cb -0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 3hl7 s ALA 50 CO 0.11 0.20 -0.08 0.08 0.00 0.00 0.00 175.76 176.07 3hl7 s VAL 51 N 0.41 3.05 -0.23 0.00 1.01 0.60 -1.16 120.40 124.08 3hl7 s VAL 51 Ca -0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3hl7 s VAL 51 Cb -0.15 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3hl7 s VAL 51 CO 0.04 0.45 0.16 -0.75 0.00 0.00 0.00 175.10 175.00 3hl7 s LYS 52 N 1.42 4.11 -0.34 2.72 2.20 0.76 -1.12 119.74 129.49 3hl7 s LYS 52 Ca 0.05 -0.24 -0.15 0.00 -0.36 0.00 0.00 55.97 55.27 3hl7 s LYS 52 Cb -0.14 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3hl7 s LYS 52 CO -0.06 0.14 0.35 0.21 -0.36 0.00 0.00 175.35 175.63 3hl7 s LYS 53 N 0.83 3.60 0.29 4.03 2.20 0.09 -0.97 119.74 129.81 3hl7 s LYS 53 Ca 0.08 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.99 3hl7 s LYS 53 Cb -0.13 -3.79 -0.10 0.00 -1.51 0.00 0.00 37.83 32.30 3hl7 s LYS 53 CO 0.02 -0.49 1.43 -0.51 -0.36 0.00 0.00 175.35 175.45 3hl7 s LEU 54 N 1.98 4.38 -0.21 5.43 1.43 -0.75 -2.07 118.68 128.87 3hl7 s LEU 54 Ca 0.11 2.76 -0.16 0.00 -1.03 0.00 0.00 54.13 55.81 3hl7 s LEU 54 Cb -0.17 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 3hl7 s LEU 54 CO 0.11 -0.71 0.42 -0.94 0.23 0.00 0.00 176.35 175.47 3hl7 s SER 55 N 0.12 6.44 -1.16 2.29 1.04 -0.24 -4.48 113.70 117.71 3hl7 s SER 55 Ca 0.57 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 57.34 3hl7 s SER 55 Cb -0.43 -2.24 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 3hl7 s SER 55 CO 0.49 -0.12 0.77 0.54 0.98 0.00 0.00 173.24 175.90 3hl7 n ARG 56 N 4.68 -1.66 0.23 4.02 1.74 -1.26 -4.84 116.66 119.57 3hl7 n ARG 56 Ca -0.07 0.49 0.11 0.00 -0.77 0.00 0.00 57.85 57.60 3hl7 n ARG 56 Cb 0.51 -4.33 0.69 0.00 -1.02 0.00 0.00 32.46 28.31 3hl7 n ARG 56 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hl7 h PRO 57 N -1.84 0.00 -0.55 5.56 0.13 -1.81 -2.98 132.00 130.51 3hl7 h PRO 57 Ca -0.66 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.07 3hl7 h PRO 57 Cb 1.36 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.18 3hl7 h PRO 57 CO 0.49 0.00 -0.70 1.19 -0.23 0.00 0.00 178.00 178.75 3hl7 n PHE 58 N -4.41 2.02 0.00 1.56 3.01 -1.26 -2.61 117.46 115.77 3hl7 n PHE 58 Ca -0.01 -2.04 -0.06 0.00 1.01 0.00 0.00 57.45 56.35 3hl7 n PHE 58 Cb 0.17 -0.34 0.13 0.00 -0.01 0.00 0.00 39.48 39.43 3hl7 n PHE 58 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3hl7 h GLN 59 N 1.85 0.53 -3.70 -1.08 4.15 -1.87 -3.46 115.11 111.54 3hl7 h GLN 59 Ca 0.28 -0.26 -0.15 0.00 0.77 0.00 0.00 58.65 59.29 3hl7 h GLN 59 Cb 1.39 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.02 3hl7 h GLN 59 CO 0.57 0.83 -0.04 -1.54 -1.93 0.00 0.00 178.83 176.72 3hl7 s SER 60 N -6.84 0.43 0.23 -0.69 1.04 -1.26 -5.01 113.70 101.60 3hl7 s SER 60 Ca -0.07 -1.26 -0.06 0.00 0.48 0.00 0.00 55.95 55.04 3hl7 s SER 60 Cb 0.13 0.70 0.33 0.00 0.10 0.00 0.00 66.02 67.27 3hl7 s SER 60 CO 0.81 -1.37 1.83 0.40 0.98 0.00 0.00 173.24 175.89 3hl7 h ILE 61 N 2.11 0.98 -0.36 -1.02 1.08 -1.94 0.18 117.51 118.54 3hl7 h ILE 61 Ca -0.29 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 3hl7 h ILE 61 Cb 1.24 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3hl7 h ILE 61 CO 0.38 0.15 0.21 0.40 -0.69 0.00 0.00 178.15 178.61 3hl7 h ILE 62 N 0.83 1.13 -0.21 -0.67 1.08 -1.97 -0.53 117.51 117.16 3hl7 h ILE 62 Ca 0.36 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 3hl7 h ILE 62 Cb 0.24 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 3hl7 h ILE 62 CO -0.20 0.13 0.03 0.45 -0.69 0.00 0.00 178.15 177.87 3hl7 h HIS 63 N 0.47 0.38 -0.45 1.37 3.86 -1.79 -1.89 115.15 117.10 3hl7 h HIS 63 Ca 0.13 -0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3hl7 h HIS 63 Cb 0.02 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 3hl7 h HIS 63 CO -0.04 0.50 0.22 0.00 0.86 0.00 0.00 177.93 179.47 3hl7 h ALA 64 N 0.83 0.56 -0.37 2.45 0.00 -0.70 0.72 119.26 122.74 3hl7 h ALA 64 Ca 0.06 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3hl7 h ALA 64 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hl7 h ALA 64 CO 0.01 -0.14 -0.23 -0.22 0.00 0.00 0.00 179.25 178.66 3hl7 h LYS 65 N 0.44 0.73 -0.59 0.00 3.64 -1.11 -1.99 116.57 117.69 3hl7 h LYS 65 Ca 0.19 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 3hl7 h LYS 65 Cb 0.10 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3hl7 h LYS 65 CO -0.14 0.90 0.02 -0.09 -2.27 0.00 0.00 179.45 177.87 3hl7 h ARG 66 N 0.64 1.01 -0.04 1.90 2.43 -0.85 0.58 114.38 120.06 3hl7 h ARG 66 Ca 0.09 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3hl7 h ARG 66 Cb 0.73 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3hl7 h ARG 66 CO 0.06 0.98 0.02 1.15 -1.51 0.00 0.00 179.97 180.67 3hl7 h THR 67 N 0.93 1.09 -0.14 0.20 2.02 -0.71 -1.56 112.91 114.74 3hl7 h THR 67 Ca 0.17 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.11 3hl7 h THR 67 Cb 0.51 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3hl7 h THR 67 CO 0.02 0.07 -0.01 0.22 0.37 0.00 0.00 175.52 176.20 3hl7 h TYR 68 N -0.05 -0.03 -0.41 3.16 3.20 -1.18 -1.76 116.97 119.91 3hl7 h TYR 68 Ca 0.01 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.98 3hl7 h TYR 68 Cb 0.11 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.32 3hl7 h TYR 68 CO -0.04 -0.03 -0.20 -0.09 -1.64 0.00 0.00 178.16 176.16 3hl7 h ARG 69 N 0.04 -0.12 -0.57 1.82 2.43 -0.84 0.44 114.38 117.57 3hl7 h ARG 69 Ca 0.07 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3hl7 h ARG 69 Cb 0.09 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3hl7 h ARG 69 CO -0.12 -0.08 0.06 1.49 -1.51 0.00 0.00 179.97 179.80 3hl7 h GLU 70 N -0.13 0.97 -0.09 0.20 4.81 -1.08 -0.74 114.58 118.53 3hl7 h GLU 70 Ca 0.20 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3hl7 h GLU 70 Cb 0.43 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hl7 h GLU 70 CO -0.49 0.94 0.03 1.25 -0.73 0.00 0.00 179.01 180.02 3hl7 h LEU 71 N 0.86 0.12 -0.91 1.64 5.85 -1.05 -0.08 115.31 121.75 3hl7 h LEU 71 Ca 0.17 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3hl7 h LEU 71 Cb 0.47 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 3hl7 h LEU 71 CO 0.02 0.26 0.56 0.03 -0.34 0.00 0.00 178.44 178.97 3hl7 h ARG 72 N -0.03 0.96 -0.10 1.25 2.47 -0.79 -0.59 114.38 117.54 3hl7 h ARG 72 Ca 0.03 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3hl7 h ARG 72 Cb 0.18 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3hl7 h ARG 72 CO -0.00 0.63 0.01 -0.07 0.56 0.00 0.00 179.97 181.10 3hl7 h LEU 73 N 0.99 0.17 -0.95 3.04 3.38 -0.90 -2.80 115.31 118.23 3hl7 h LEU 73 Ca 0.41 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3hl7 h LEU 73 Cb 0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hl7 h LEU 73 CO -0.20 0.41 -0.19 -0.07 0.09 0.00 0.00 178.44 178.49 3hl7 h LEU 74 N -0.08 0.54 -1.48 1.67 3.38 -0.76 -2.32 115.31 116.26 3hl7 h LEU 74 Ca 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3hl7 h LEU 74 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hl7 h LEU 74 CO 0.00 0.74 -0.24 0.11 0.09 0.00 0.00 178.44 179.14 3hl7 h LYS 75 N 0.49 0.00 0.11 1.13 1.57 -1.11 -3.19 116.57 115.57 3hl7 h LYS 75 Ca 0.08 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.58 3hl7 h LYS 75 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3hl7 h LYS 75 CO 0.04 0.24 -1.37 1.25 -0.57 0.00 0.00 179.45 179.04 3hl7 h HIS 76 N 0.00 0.43 -3.52 -1.35 2.76 -1.15 -3.46 115.15 108.86 3hl7 h HIS 76 Ca -0.00 -0.31 -0.57 0.00 -2.20 0.00 0.00 60.37 57.28 3hl7 h HIS 76 Cb 0.55 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.42 3hl7 h HIS 76 CO 0.00 1.30 0.84 -1.64 -1.30 0.00 0.00 177.93 177.14 3hl7 s MET 77 N -2.64 3.87 -0.47 5.26 -1.94 -1.01 -4.93 119.30 117.44 3hl7 s MET 77 Ca -0.06 0.76 0.03 0.00 -1.71 0.00 0.00 55.69 54.71 3hl7 s MET 77 Cb 0.07 -3.83 0.14 0.00 2.01 0.00 0.00 34.83 33.23 3hl7 s MET 77 CO 0.86 -1.13 0.29 0.15 -0.01 0.00 0.00 175.02 175.18 3hl7 s LYS 78 N 3.99 1.39 -0.18 2.03 1.02 -1.26 -4.38 119.74 122.35 3hl7 s LYS 78 Ca 0.45 -2.19 -0.21 0.00 0.02 0.00 0.00 55.97 54.04 3hl7 s LYS 78 Cb -0.10 -2.35 0.05 0.00 -0.52 0.00 0.00 37.83 34.91 3hl7 s LYS 78 CO 0.23 -1.21 0.57 -1.58 -0.92 0.00 0.00 175.35 172.44 3hl7 s HIS 79 N 0.08 -0.60 0.53 3.18 2.46 -1.26 -5.06 115.29 114.63 3hl7 s HIS 79 Ca 0.21 1.39 0.25 0.00 0.47 0.00 0.00 55.06 57.37 3hl7 s HIS 79 Cb -0.18 0.23 1.40 0.00 -0.13 0.00 0.00 32.58 33.90 3hl7 s HIS 79 CO -0.05 -0.35 2.01 0.93 -2.47 0.00 0.00 174.74 174.81 3hl7 h GLU 80 N 4.85 0.00 -0.32 2.88 5.08 -1.98 -2.52 114.58 122.57 3hl7 h GLU 80 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3hl7 h GLU 80 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hl7 h GLU 80 CO 0.19 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.29 3hl7 n ASN 81 N -4.36 3.82 -3.95 1.42 5.03 -1.26 -4.73 115.26 111.23 3hl7 n ASN 81 Ca 0.09 -2.73 -0.19 0.00 0.87 0.00 0.00 54.58 52.61 3hl7 n ASN 81 Cb 0.57 -0.48 -0.16 0.00 -1.02 0.00 0.00 39.78 38.69 3hl7 n ASN 81 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hl7 s VAL 82 N -2.32 0.63 0.20 2.41 1.01 -0.95 -0.72 120.40 120.65 3hl7 s VAL 82 Ca 0.39 -0.25 -0.32 0.00 0.00 0.00 0.00 61.98 61.80 3hl7 s VAL 82 Cb 0.29 -0.59 -0.12 0.00 0.00 0.00 0.00 36.38 35.97 3hl7 s VAL 82 CO 0.12 0.21 1.69 -0.63 0.00 0.00 0.00 175.10 176.50 3hl7 s ILE 83 N 0.39 2.14 0.40 2.22 -1.09 -0.79 -4.45 121.20 120.03 3hl7 s ILE 83 Ca -0.05 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.50 3hl7 s ILE 83 Cb -0.10 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 3hl7 s ILE 83 CO 0.00 0.01 0.07 -0.83 -1.23 0.00 0.00 174.94 172.96 3hl7 s GLY 84 N 1.17 2.52 -0.32 6.18 0.00 -1.26 -4.82 107.32 110.80 3hl7 s GLY 84 Ca 0.74 -1.42 -0.18 0.00 0.00 0.00 0.00 44.72 43.86 3hl7 s GLY 84 CO 0.32 -1.93 0.52 1.08 0.00 0.00 0.00 173.10 173.09 3hl7 s LEU 85 N -3.63 4.22 0.02 0.66 1.43 -1.21 -4.45 118.68 115.71 3hl7 s LEU 85 Ca 0.25 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3hl7 s LEU 85 Cb 0.05 -2.62 -0.25 0.00 0.03 0.00 0.00 46.19 43.40 3hl7 s LEU 85 CO 0.13 -0.41 0.92 -0.07 0.23 0.00 0.00 176.35 177.15 3hl7 h LEU 86 N 8.99 0.22 -7.00 1.79 3.38 -1.13 -3.42 115.31 118.13 3hl7 h LEU 86 Ca -0.28 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 3hl7 h LEU 86 Cb 1.13 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 3hl7 h LEU 86 CO 0.75 1.26 0.26 -0.62 0.09 0.00 0.00 178.44 180.18 3hl7 s ASP 87 N -6.74 -0.55 -0.09 -0.43 2.15 -1.17 -4.63 116.67 105.20 3hl7 s ASP 87 Ca -0.06 0.16 -0.06 0.00 0.43 0.00 0.00 52.55 53.02 3hl7 s ASP 87 Cb 0.08 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.27 3hl7 s ASP 87 CO 0.84 -0.82 0.23 0.54 -0.17 0.00 0.00 175.17 175.78 3hl7 s VAL 88 N -3.04 -0.02 0.16 1.11 0.11 -1.26 -1.19 120.40 116.27 3hl7 s VAL 88 Ca -0.01 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 3hl7 s VAL 88 Cb -0.01 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3hl7 s VAL 88 CO -0.07 0.03 0.33 0.72 -3.33 0.00 0.00 175.10 172.78 3hl7 s PHE 89 N 0.65 0.24 -0.04 1.54 -0.12 -0.66 -4.99 117.98 114.61 3hl7 s PHE 89 Ca -0.04 -0.61 -0.05 0.00 -0.05 0.00 0.00 56.93 56.18 3hl7 s PHE 89 Cb -0.06 0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 3hl7 s PHE 89 CO -0.04 -0.74 0.12 -0.08 -0.05 0.00 0.00 175.22 174.43 3hl7 s THR 90 N -3.93 0.02 -0.19 -4.49 -1.32 -1.26 -1.63 115.64 102.84 3hl7 s THR 90 Ca 0.14 -0.16 0.28 0.00 -1.21 0.00 0.00 61.69 60.73 3hl7 s THR 90 Cb 0.02 -0.23 0.30 0.00 -1.51 0.00 0.00 72.50 71.08 3hl7 s THR 90 CO -0.02 -0.09 1.83 1.55 -2.21 0.00 0.00 174.62 175.68 3hl7 h PRO 91 N 5.60 0.00 -6.90 7.08 0.13 -1.82 -3.45 132.00 132.65 3hl7 h PRO 91 Ca -0.26 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.33 3hl7 h PRO 91 Cb 1.20 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.43 3hl7 h PRO 91 CO 0.42 0.00 0.82 0.00 -0.23 0.00 0.00 178.00 179.01 3hl7 s ALA 92 N -3.52 3.63 -1.39 -0.56 0.00 -1.26 -4.93 121.76 113.73 3hl7 s ALA 92 Ca 0.01 1.57 0.22 0.00 0.00 0.00 0.00 51.96 53.77 3hl7 s ALA 92 Cb 0.09 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3hl7 s ALA 92 CO 0.40 -1.03 1.08 -2.13 0.00 0.00 0.00 175.76 174.08 3hl7 n ARG 93 N 1.04 0.45 -3.75 0.00 0.63 -1.26 -4.97 116.66 108.80 3hl7 n ARG 93 Ca 0.03 -0.36 -0.10 0.00 -0.92 0.00 0.00 57.85 56.51 3hl7 n ARG 93 Cb 0.39 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.75 3hl7 n ARG 93 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3hl7 s SER 94 N -2.79 -0.16 0.21 6.15 1.04 -1.26 -5.06 113.70 111.83 3hl7 s SER 94 Ca 0.13 -0.51 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 3hl7 s SER 94 Cb 0.17 0.49 0.27 0.00 0.10 0.00 0.00 66.02 67.05 3hl7 s SER 94 CO 0.73 -0.92 1.76 0.25 0.98 0.00 0.00 173.24 176.04 3hl7 h LEU 95 N 2.37 0.33 -1.55 2.42 5.85 -1.96 -2.13 115.31 120.65 3hl7 h LEU 95 Ca -0.32 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3hl7 h LEU 95 Cb 1.25 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3hl7 h LEU 95 CO 0.45 0.20 -0.11 1.05 -0.34 0.00 0.00 178.44 179.68 3hl7 h GLU 96 N 0.49 0.15 -0.14 1.25 9.09 -2.02 -1.75 114.58 121.65 3hl7 h GLU 96 Ca 0.30 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.69 3hl7 h GLU 96 Cb 0.32 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3hl7 h GLU 96 CO -0.26 0.27 0.00 -1.91 0.05 0.00 0.00 179.01 177.16 3hl7 n GLU 97 N -4.33 1.72 -2.68 1.06 2.13 -0.90 -4.90 120.64 112.74 3hl7 n GLU 97 Ca -0.01 -1.07 -0.43 0.00 0.66 0.00 0.00 57.16 56.31 3hl7 n GLU 97 Cb 0.23 -1.41 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 3hl7 n GLU 97 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3hl7 s PHE 98 N -1.83 2.71 0.00 4.31 5.99 -0.66 -4.62 117.98 123.88 3hl7 s PHE 98 Ca 0.33 0.32 0.00 0.00 0.00 0.00 0.00 56.93 57.59 3hl7 s PHE 98 Cb 0.18 -4.34 0.00 0.00 0.00 0.00 0.00 43.02 38.86 3hl7 s PHE 98 CO 0.28 -1.45 0.15 0.09 -0.00 0.00 0.00 175.22 174.29 3hl7 n ASN 99 N 7.99 0.18 -3.87 6.13 4.13 -1.26 -5.04 115.26 123.52 3hl7 n ASN 99 Ca 0.07 -1.02 -0.12 0.00 1.68 0.00 0.00 54.58 55.19 3hl7 n ASN 99 Cb 0.49 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.61 3hl7 n ASN 99 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3hl7 s ASP 100 N -0.02 -0.02 -0.06 6.41 1.01 -1.26 -4.58 116.67 118.14 3hl7 s ASP 100 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 52.55 53.28 3hl7 s ASP 100 Cb 0.00 0.20 0.01 0.00 1.01 0.00 0.00 42.92 44.14 3hl7 s ASP 100 CO 0.00 -0.16 -0.11 -0.69 0.21 0.00 0.00 175.17 174.42 3hl7 s VAL 101 N -0.53 1.01 -0.08 -1.27 1.01 -1.26 -4.54 120.40 114.74 3hl7 s VAL 101 Ca -0.06 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3hl7 s VAL 101 Cb -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3hl7 s VAL 101 CO 0.00 0.33 -0.20 -0.31 0.00 0.00 0.00 175.10 174.92 3hl7 s TYR 102 N 0.71 2.17 -0.06 5.22 1.51 -0.65 -1.81 117.35 124.44 3hl7 s TYR 102 Ca -0.14 -0.82 0.06 0.00 -1.01 0.00 0.00 57.07 55.16 3hl7 s TYR 102 Cb -0.16 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3hl7 s TYR 102 CO 0.03 -0.33 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.38 3hl7 s LEU 103 N 0.33 2.07 -0.05 -1.29 1.43 -0.14 -1.66 118.68 119.37 3hl7 s LEU 103 Ca -0.15 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 3hl7 s LEU 103 Cb -0.16 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 3hl7 s LEU 103 CO 0.06 0.24 -0.22 -0.69 0.23 0.00 0.00 176.35 175.98 3hl7 s VAL 104 N -0.12 1.77 0.31 -1.59 1.01 -0.33 -0.17 120.40 121.27 3hl7 s VAL 104 Ca -0.05 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3hl7 s VAL 104 Cb -0.14 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3hl7 s VAL 104 CO 0.04 0.50 0.31 0.28 0.00 0.00 0.00 175.10 176.23 3hl7 s THR 105 N -0.13 0.00 0.30 3.92 -1.32 -0.31 -0.47 115.64 117.63 3hl7 s THR 105 Ca -0.02 -1.87 -0.29 0.00 -1.21 0.00 0.00 61.69 58.30 3hl7 s THR 105 Cb -0.12 -2.53 -0.11 0.00 -1.51 0.00 0.00 72.50 68.24 3hl7 s THR 105 CO 0.03 0.00 1.44 -1.00 -2.21 0.00 0.00 174.62 172.88 3hl7 s HIS 106 N -3.49 2.89 0.04 9.09 3.76 -1.26 -0.29 115.29 126.04 3hl7 s HIS 106 Ca 0.37 1.11 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 3hl7 s HIS 106 Cb 0.02 -3.87 -0.07 0.00 1.11 0.00 0.00 32.58 29.78 3hl7 s HIS 106 CO 0.22 -2.69 1.48 -1.17 -0.85 0.00 0.00 174.74 171.73 3hl7 s LEU 107 N -1.10 4.34 -0.10 0.89 2.96 -0.30 -4.35 118.68 121.01 3hl7 s LEU 107 Ca 0.56 2.26 -0.01 0.00 -0.22 0.00 0.00 54.13 56.72 3hl7 s LEU 107 Cb -0.43 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.66 3hl7 s LEU 107 CO 0.51 -0.76 -0.06 -0.04 -1.32 0.00 0.00 176.35 174.68 3hl7 s MET 108 N 2.28 3.11 0.28 1.98 -1.94 -1.26 -4.93 119.30 118.82 3hl7 s MET 108 Ca 0.67 -0.53 0.15 0.00 -1.71 0.00 0.00 55.69 54.26 3hl7 s MET 108 Cb -0.35 -2.72 0.10 0.00 2.01 0.00 0.00 34.83 33.88 3hl7 s MET 108 CO 0.29 0.50 1.46 0.78 -0.01 0.00 0.00 175.02 178.04 3hl7 h GLY 109 N 5.80 0.00 -1.05 -0.03 0.00 -1.95 -3.48 103.07 102.36 3hl7 h GLY 109 Ca -0.42 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 3hl7 h GLY 109 CO 0.56 0.00 0.07 0.00 0.00 0.00 0.00 176.54 177.17 3hl7 n ALA 110 N -2.24 -0.96 -2.38 3.60 0.00 -0.76 -5.02 120.51 112.75 3hl7 n ALA 110 Ca 0.02 -1.24 -0.20 0.00 0.00 0.00 0.00 53.44 52.02 3hl7 n ALA 110 Cb 0.73 0.99 -0.10 0.00 0.00 0.00 0.00 19.45 21.07 3hl7 n ALA 110 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3hl7 s ASP 111 N -2.83 1.80 0.46 0.00 1.47 -1.26 -0.86 116.67 115.45 3hl7 s ASP 111 Ca 0.19 -1.48 0.25 0.00 1.18 0.00 0.00 52.55 52.69 3hl7 s ASP 111 Cb -0.03 0.24 1.04 0.00 -0.34 0.00 0.00 42.92 43.83 3hl7 s ASP 111 CO 0.14 -0.79 1.87 -0.07 0.68 0.00 0.00 175.17 177.00 3hl7 h LEU 112 N 2.18 0.00 -0.12 2.11 3.38 -0.96 -2.02 115.31 119.88 3hl7 h LEU 112 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hl7 h LEU 112 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hl7 h LEU 112 CO 0.59 0.19 0.03 -1.13 0.09 0.00 0.00 178.44 178.21 3hl7 h ASN 113 N 0.00 0.19 -0.99 -0.43 -1.24 -1.85 -0.57 115.58 110.68 3hl7 h ASN 113 Ca -0.00 -0.23 0.12 0.00 0.71 0.00 0.00 56.30 56.90 3hl7 h ASN 113 Cb 0.67 -0.05 -0.08 0.00 0.73 0.00 0.00 38.32 39.59 3hl7 h ASN 113 CO 0.02 0.37 0.62 0.78 -1.29 0.00 0.00 177.43 177.94 3hl7 h ASN 114 N -0.01 0.91 0.15 1.15 -0.26 -1.80 -2.52 115.58 113.21 3hl7 h ASN 114 Ca 0.04 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3hl7 h ASN 114 Cb 0.26 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3hl7 h ASN 114 CO 0.00 0.48 -0.07 0.40 -1.06 0.00 0.00 177.43 177.18 3hl7 h ILE 115 N 0.98 0.00 -0.60 2.81 1.08 -1.04 -3.34 117.51 117.41 3hl7 h ILE 115 Ca 0.49 -0.41 0.12 0.00 -0.39 0.00 0.00 64.86 64.67 3hl7 h ILE 115 Cb 0.49 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.15 3hl7 h ILE 115 CO -0.27 0.00 0.07 0.58 -0.69 0.00 0.00 178.15 177.84 3hl7 h VAL 116 N -0.61 0.58 -0.73 1.67 2.07 -1.22 -3.36 116.25 114.65 3hl7 h VAL 116 Ca -0.02 -0.06 -0.51 0.00 0.82 0.00 0.00 66.70 66.92 3hl7 h VAL 116 Cb 0.15 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3hl7 h VAL 116 CO 0.03 0.03 1.66 1.17 0.02 0.00 0.00 177.57 180.49 3hl7 n LYS 117 N -5.20 0.51 -3.13 1.57 3.00 -0.95 -1.85 118.16 112.13 3hl7 n LYS 117 Ca 0.09 0.03 -0.14 0.00 -0.00 0.00 0.00 58.31 58.29 3hl7 n LYS 117 Cb 0.33 -2.34 0.07 0.00 0.00 0.00 0.00 35.03 33.09 3hl7 n LYS 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hl7 s GLN 119 N -4.79 0.24 -0.23 0.00 2.00 -0.77 -5.12 119.66 110.99 3hl7 s GLN 119 Ca 0.14 0.54 -0.19 0.00 -2.00 0.00 0.00 55.36 53.86 3hl7 s GLN 119 Cb -0.02 0.32 -0.03 0.00 0.80 0.00 0.00 33.01 34.09 3hl7 s GLN 119 CO 0.62 -0.14 0.54 0.21 -0.50 0.00 0.00 175.29 176.02 3hl7 s LYS 120 N 2.57 4.14 0.18 1.67 2.47 -1.26 -4.50 119.74 125.00 3hl7 s LYS 120 Ca -0.01 0.42 -0.22 0.00 -1.56 0.00 0.00 55.97 54.61 3hl7 s LYS 120 Cb -0.07 -3.61 -0.08 0.00 -1.46 0.00 0.00 37.83 32.61 3hl7 s LYS 120 CO -0.16 -0.27 0.72 -0.51 0.16 0.00 0.00 175.35 175.30 3hl7 s LEU 121 N 2.02 4.47 0.71 5.43 1.43 -1.26 -5.07 118.68 126.40 3hl7 s LEU 121 Ca 0.24 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 3hl7 s LEU 121 Cb -0.16 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.72 3hl7 s LEU 121 CO 0.09 0.14 1.07 0.42 0.23 0.00 0.00 176.35 178.30 3hl7 s THR 122 N -1.31 3.86 0.44 5.49 -4.23 -1.26 -4.88 115.64 113.74 3hl7 s THR 122 Ca 0.38 0.60 0.10 0.00 -1.18 0.00 0.00 61.69 61.59 3hl7 s THR 122 Cb -0.20 -3.42 0.26 0.00 1.34 0.00 0.00 72.50 70.48 3hl7 s THR 122 CO 0.23 -0.79 2.07 -0.78 -0.54 0.00 0.00 174.62 174.81 3hl7 h ASP 123 N -0.73 0.32 -0.46 3.99 3.58 -1.97 -2.14 116.42 119.01 3hl7 h ASP 123 Ca -0.45 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 56.96 3hl7 h ASP 123 Cb 1.23 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 3hl7 h ASP 123 CO 0.59 0.26 0.17 0.44 -2.88 0.00 0.00 179.24 177.81 3hl7 h ASP 124 N 0.38 0.65 -0.77 2.28 3.32 -2.00 -1.65 116.42 118.62 3hl7 h ASP 124 Ca 0.10 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3hl7 h ASP 124 Cb -0.01 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3hl7 h ASP 124 CO -0.02 0.66 0.42 0.45 -1.72 0.00 0.00 179.24 179.03 3hl7 h HIS 125 N 0.60 1.06 -0.51 4.55 3.86 -1.82 -2.70 115.15 120.19 3hl7 h HIS 125 Ca 0.15 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3hl7 h HIS 125 Cb 0.22 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3hl7 h HIS 125 CO 0.01 0.74 0.16 0.28 0.86 0.00 0.00 177.93 179.98 3hl7 h VAL 126 N 1.07 1.23 -0.54 2.45 2.07 -1.18 -0.21 116.25 121.14 3hl7 h VAL 126 Ca 0.27 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 67.10 3hl7 h VAL 126 Cb 0.03 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3hl7 h VAL 126 CO -0.04 0.28 0.16 1.56 0.02 0.00 0.00 177.57 179.55 3hl7 h GLN 127 N 0.69 0.32 -0.17 1.57 4.20 -1.19 -0.20 115.11 120.33 3hl7 h GLN 127 Ca 0.16 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 3hl7 h GLN 127 Cb 0.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3hl7 h GLN 127 CO -0.01 0.21 -0.43 0.35 -0.67 0.00 0.00 178.83 178.29 3hl7 h PHE 128 N 0.33 0.76 -0.15 2.96 3.57 -1.14 -0.44 116.94 122.83 3hl7 h PHE 128 Ca 0.27 -0.29 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3hl7 h PHE 128 Cb 0.33 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3hl7 h PHE 128 CO -0.19 1.05 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.87 3hl7 h LEU 129 N 0.25 0.27 -0.86 0.59 4.07 -0.91 -2.27 115.31 116.44 3hl7 h LEU 129 Ca -0.01 -0.32 -0.10 0.00 0.08 0.00 0.00 57.88 57.53 3hl7 h LEU 129 Cb 1.04 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 3hl7 h LEU 129 CO 0.09 0.52 -0.24 0.40 -1.08 0.00 0.00 178.44 178.13 3hl7 h ILE 130 N 0.00 1.27 -0.46 1.22 1.08 -1.08 -2.11 117.51 117.43 3hl7 h ILE 130 Ca 0.04 -1.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.28 3hl7 h ILE 130 Cb 0.39 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 3hl7 h ILE 130 CO 0.01 0.42 0.15 0.22 -0.69 0.00 0.00 178.15 178.26 3hl7 h TYR 131 N 0.51 0.26 -0.53 1.37 3.20 -1.00 -1.10 116.97 119.68 3hl7 h TYR 131 Ca 0.07 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 3hl7 h TYR 131 Cb 0.69 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3hl7 h TYR 131 CO 0.03 0.09 -0.05 1.96 -1.64 0.00 0.00 178.16 178.55 3hl7 h GLN 132 N 0.32 0.95 -0.30 1.82 4.20 -1.11 -0.09 115.11 120.90 3hl7 h GLN 132 Ca 0.22 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3hl7 h GLN 132 Cb 0.23 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hl7 h GLN 132 CO -0.23 0.97 0.17 0.82 -0.67 0.00 0.00 178.83 179.88 3hl7 h ILE 133 N 0.86 1.12 -0.27 2.54 2.04 -1.12 -1.48 117.51 121.20 3hl7 h ILE 133 Ca 0.15 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 3hl7 h ILE 133 Cb 0.57 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3hl7 h ILE 133 CO 0.03 0.12 -0.20 -0.07 0.00 0.00 0.00 178.15 178.04 3hl7 h LEU 134 N 0.37 0.48 -0.38 1.44 3.38 -0.81 0.10 115.31 119.89 3hl7 h LEU 134 Ca 0.11 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3hl7 h LEU 134 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hl7 h LEU 134 CO -0.02 0.69 -0.09 -0.09 0.09 0.00 0.00 178.44 179.02 3hl7 h ARG 135 N 0.44 0.74 -0.51 1.13 2.43 -0.86 0.14 114.38 117.88 3hl7 h ARG 135 Ca 0.07 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3hl7 h ARG 135 Cb 0.59 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3hl7 h ARG 135 CO 0.04 0.88 0.23 0.78 -1.51 0.00 0.00 179.97 180.39 3hl7 h GLY 136 N 0.55 0.81 1.22 2.80 0.00 -1.06 -3.02 103.07 104.36 3hl7 h GLY 136 Ca 0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 3hl7 h GLY 136 CO 0.04 0.40 0.01 1.41 0.00 0.00 0.00 176.54 178.40 3hl7 h LEU 137 N 0.69 0.91 -0.53 3.11 3.38 -0.59 -0.98 115.31 121.31 3hl7 h LEU 137 Ca 0.17 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.01 3hl7 h LEU 137 Cb 0.15 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3hl7 h LEU 137 CO -0.02 0.96 0.04 0.50 0.09 0.00 0.00 178.44 180.02 3hl7 h LYS 138 N 0.87 0.16 0.18 1.13 3.64 -0.68 0.19 116.57 122.06 3hl7 h LYS 138 Ca 0.16 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3hl7 h LYS 138 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3hl7 h LYS 138 CO 0.02 0.10 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.30 3hl7 h TYR 139 N 0.16 -0.22 -0.22 1.91 3.20 -1.32 -1.23 116.97 119.26 3hl7 h TYR 139 Ca 0.27 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.16 3hl7 h TYR 139 Cb 0.40 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3hl7 h TYR 139 CO -0.29 -0.02 0.06 0.82 -1.64 0.00 0.00 178.16 177.09 3hl7 h ILE 140 N -0.39 0.92 -0.32 1.81 2.04 -0.78 -2.59 117.51 118.20 3hl7 h ILE 140 Ca -0.02 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 3hl7 h ILE 140 Cb 0.30 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3hl7 h ILE 140 CO 0.04 0.03 -0.05 0.45 0.00 0.00 0.00 178.15 178.62 3hl7 h HIS 141 N 0.15 0.53 0.00 1.37 3.86 -0.59 -1.56 115.15 118.92 3hl7 h HIS 141 Ca 0.10 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3hl7 h HIS 141 Cb 0.08 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3hl7 h HIS 141 CO -0.13 0.55 0.00 0.66 0.86 0.00 0.00 177.93 179.87 3hl7 h SER 142 N 0.48 0.00 -0.37 2.45 4.64 -0.81 -0.68 113.55 119.26 3hl7 h SER 142 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hl7 h SER 142 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3hl7 h SER 142 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3hl7 n ALA 143 N -2.02 2.45 -3.70 5.18 0.00 -0.60 -4.72 120.51 117.09 3hl7 n ALA 143 Ca -0.01 -0.74 -0.26 0.00 0.00 0.00 0.00 53.44 52.43 3hl7 n ALA 143 Cb 0.17 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 18.70 3hl7 n ALA 143 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hl7 n ASP 144 N 0.76 -5.88 -4.50 0.00 10.43 -0.26 -4.41 116.55 112.69 3hl7 n ASP 144 Ca 0.16 -0.62 -0.33 0.00 2.57 0.00 0.00 54.79 56.57 3hl7 n ASP 144 Cb 0.39 -4.66 -0.12 0.00 1.84 0.00 0.00 41.12 38.57 3hl7 n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hl7 s ILE 145 N -3.31 3.46 -0.11 0.53 1.01 -1.10 -5.04 121.20 116.64 3hl7 s ILE 145 Ca 0.61 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 3hl7 s ILE 145 Cb -0.28 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3hl7 s ILE 145 CO 0.76 0.56 -0.05 -0.63 0.00 0.00 0.00 174.94 175.58 3hl7 s ILE 146 N -0.31 3.80 0.04 2.92 1.01 -1.26 -3.69 121.20 123.71 3hl7 s ILE 146 Ca 0.04 -0.42 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 3hl7 s ILE 146 Cb -0.13 -2.61 -0.18 0.00 0.01 0.00 0.00 42.46 39.56 3hl7 s ILE 146 CO 0.02 0.55 1.35 -0.74 0.00 0.00 0.00 174.94 176.13 3hl7 h HIS 147 N 5.91 -0.96 0.00 3.97 -0.00 -1.93 -3.05 115.15 119.08 3hl7 h HIS 147 Ca -0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 3hl7 h HIS 147 Cb 1.18 0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.91 3hl7 h HIS 147 CO 0.55 -0.58 0.00 0.54 -0.00 0.00 0.00 177.93 178.44 3hl7 n ARG 148 N -5.49 0.00 -2.75 5.26 1.74 -1.26 -3.11 116.66 111.06 3hl7 n ARG 148 Ca -0.14 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.90 3hl7 n ARG 148 Cb 0.42 -1.10 0.04 0.00 -1.02 0.00 0.00 32.46 30.80 3hl7 n ARG 148 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hl7 n ASP 149 N 0.00 1.44 -4.70 0.55 2.03 -1.26 -5.00 116.55 109.61 3hl7 n ASP 149 Ca 0.00 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.52 3hl7 n ASP 149 Cb 0.00 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 3hl7 n ASP 149 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hl7 s LEU 150 N -3.46 4.35 0.19 -2.67 1.43 -1.26 -4.90 118.68 112.35 3hl7 s LEU 150 Ca 0.27 2.35 -0.23 0.00 -1.03 0.00 0.00 54.13 55.49 3hl7 s LEU 150 Cb 0.39 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 43.10 3hl7 s LEU 150 CO -0.00 -0.76 0.63 -1.59 0.23 0.00 0.00 176.35 174.86 3hl7 s LYS 151 N 1.86 1.40 0.36 1.70 -2.85 -1.26 -4.82 119.74 116.13 3hl7 s LYS 151 Ca 0.68 -0.59 0.12 0.00 -1.00 0.00 0.00 55.97 55.17 3hl7 s LYS 151 Cb -0.37 0.59 0.92 0.00 -2.06 0.00 0.00 37.83 36.91 3hl7 s LYS 151 CO 0.30 -0.62 1.80 -1.35 0.10 0.00 0.00 175.35 175.58 3hl7 h PRO 152 N 2.00 0.57 0.00 1.78 0.11 -1.93 -1.18 132.00 133.34 3hl7 h PRO 152 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hl7 h PRO 152 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hl7 h PRO 152 CO 0.34 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 3hl7 n SER 153 N -4.67 0.64 -1.05 -2.05 3.41 -1.26 -2.01 113.62 106.63 3hl7 n SER 153 Ca 0.23 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.56 3hl7 n SER 153 Cb 0.68 -0.79 0.27 0.00 -0.26 0.00 0.00 64.21 64.10 3hl7 n SER 153 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hl7 n ASN 154 N -2.20 3.97 -4.30 4.04 0.23 -0.45 -4.81 115.26 111.73 3hl7 n ASN 154 Ca 0.02 -3.09 -0.39 0.00 -0.53 0.00 0.00 54.58 50.59 3hl7 n ASN 154 Cb 0.23 -0.58 -0.12 0.00 -2.08 0.00 0.00 39.78 37.24 3hl7 n ASN 154 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3hl7 s LEU 155 N -2.87 4.61 0.01 -4.53 1.43 -0.85 -1.46 118.68 115.02 3hl7 s LEU 155 Ca 0.44 -1.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.17 3hl7 s LEU 155 Cb 0.36 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 3hl7 s LEU 155 CO 0.09 -0.39 0.54 0.00 0.23 0.00 0.00 176.35 176.82 3hl7 s ALA 156 N 1.45 3.56 -0.00 4.21 0.00 0.01 -1.67 121.76 129.32 3hl7 s ALA 156 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3hl7 s ALA 156 Cb -0.20 -2.63 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 3hl7 s ALA 156 CO 0.04 0.29 -0.03 0.08 0.00 0.00 0.00 175.76 176.13 3hl7 s VAL 157 N -0.58 0.23 0.58 0.00 1.01 -0.04 -0.58 120.40 121.03 3hl7 s VAL 157 Ca 0.28 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3hl7 s VAL 157 Cb -0.18 -0.20 0.07 0.00 0.00 0.00 0.00 36.38 36.07 3hl7 s VAL 157 CO 0.16 0.04 0.81 0.20 0.00 0.00 0.00 175.10 176.31 3hl7 s ASN 158 N -0.12 5.03 0.58 3.32 0.02 -0.33 -1.82 114.94 121.62 3hl7 s ASN 158 Ca 0.01 -0.38 0.32 0.00 -1.02 0.00 0.00 52.86 51.79 3hl7 s ASN 158 Cb -0.01 -0.31 1.79 0.00 0.02 0.00 0.00 41.25 42.73 3hl7 s ASN 158 CO -0.00 -1.34 2.21 -0.33 0.02 0.00 0.00 177.10 177.66 3hl7 h GLU 159 N 0.02 0.00 -0.72 -0.60 5.08 -1.98 -0.70 114.58 115.68 3hl7 h GLU 159 Ca -0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 3hl7 h GLU 159 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3hl7 h GLU 159 CO 0.45 0.04 0.02 -0.40 -1.00 0.00 0.00 179.01 178.12 3hl7 n ASP 160 N -3.61 4.30 -0.27 1.42 5.75 -1.26 -4.92 116.55 117.96 3hl7 n ASP 160 Ca -0.02 -2.67 -0.04 0.00 -0.01 0.00 0.00 54.79 52.05 3hl7 n ASP 160 Cb 0.14 -0.64 -0.02 0.00 -1.03 0.00 0.00 41.12 39.58 3hl7 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hl7 s GLU 162 N -1.88 4.52 -0.03 0.00 2.02 -1.26 -4.80 118.70 117.27 3hl7 s GLU 162 Ca 0.00 1.86 0.06 0.00 0.02 0.00 0.00 54.97 56.91 3hl7 s GLU 162 Cb 0.00 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 3hl7 s GLU 162 CO 0.00 -0.02 -0.20 -1.17 0.02 0.00 0.00 175.26 173.89 3hl7 s LEU 163 N -0.51 2.01 0.03 1.80 0.20 -1.26 -1.19 118.68 119.76 3hl7 s LEU 163 Ca 0.51 -0.37 0.05 0.00 0.69 0.00 0.00 54.13 55.01 3hl7 s LEU 163 Cb -0.32 -1.04 -0.02 0.00 -0.43 0.00 0.00 46.19 44.38 3hl7 s LEU 163 CO 0.38 0.22 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.97 3hl7 s LYS 164 N -0.32 1.01 -0.04 1.98 1.02 0.26 -4.33 119.74 119.32 3hl7 s LYS 164 Ca 0.04 -0.72 -0.21 0.00 0.02 0.00 0.00 55.97 55.10 3hl7 s LYS 164 Cb -0.09 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.16 3hl7 s LYS 164 CO 0.00 0.26 0.62 0.42 -0.92 0.00 0.00 175.35 175.73 3hl7 s ILE 165 N -0.74 4.98 0.37 2.17 1.01 0.10 -0.81 121.20 128.27 3hl7 s ILE 165 Ca 0.03 1.29 0.05 0.00 0.00 0.00 0.00 60.65 62.02 3hl7 s ILE 165 Cb -0.07 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 3hl7 s ILE 165 CO 0.01 0.35 0.04 -1.48 0.00 0.00 0.00 174.94 173.85 3hl7 s LEU 166 N 0.24 2.52 -1.15 2.97 0.05 -0.53 -1.89 118.68 120.89 3hl7 s LEU 166 Ca 0.33 -1.37 0.00 0.00 0.05 0.00 0.00 54.13 53.13 3hl7 s LEU 166 Cb -0.18 -0.63 0.00 0.00 -2.05 0.00 0.00 46.19 43.33 3hl7 s LEU 166 CO 0.17 -0.53 0.00 0.47 -0.55 0.00 0.00 176.35 175.91 3hl7 n ASP 167 N -0.82 -4.47 -4.77 1.48 8.00 -1.26 -4.84 116.55 109.87 3hl7 n ASP 167 Ca -0.04 0.27 -0.37 0.00 0.71 0.00 0.00 54.79 55.36 3hl7 n ASP 167 Cb 0.67 -2.92 -0.00 0.00 -0.02 0.00 0.00 41.12 38.84 3hl7 n ASP 167 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hl7 s PHE 168 N -2.34 2.80 0.00 1.24 -0.71 -1.26 -3.83 117.98 113.87 3hl7 s PHE 168 Ca 0.00 1.51 0.00 0.00 -1.04 0.00 0.00 56.93 57.40 3hl7 s PHE 168 Cb 0.00 -3.43 0.00 0.00 -1.21 0.00 0.00 43.02 38.38 3hl7 s PHE 168 CO 0.00 -1.69 0.00 0.41 -1.34 0.00 0.00 175.22 172.60 3hl7 n GLY 169 N 0.48 0.89 0.13 1.99 0.00 -1.15 -4.85 105.19 102.67 3hl7 n GLY 169 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3hl7 n GLY 169 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hl7 h LEU 170 N 0.00 0.36 -2.27 0.99 3.38 -1.77 -3.49 115.31 112.51 3hl7 h LEU 170 Ca 0.00 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 57.13 3hl7 h LEU 170 Cb 0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3hl7 h LEU 170 CO 0.00 1.65 -1.22 0.00 0.09 0.00 0.00 178.44 178.96 3hl7 n ALA 171 N -3.00 -3.23 -0.79 1.53 0.00 -1.26 -5.11 120.51 108.64 3hl7 n ALA 171 Ca -0.26 1.47 -0.27 0.00 0.00 0.00 0.00 53.44 54.38 3hl7 n ALA 171 Cb 0.91 -2.97 0.02 0.00 0.00 0.00 0.00 19.45 17.41 3hl7 n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hl7 n ALA 183 N 1.51 -3.80 0.22 0.00 0.00 -1.26 -5.12 120.51 112.06 3hl7 n ALA 183 Ca -0.23 -0.30 0.07 0.00 0.00 0.00 0.00 53.44 52.98 3hl7 n ALA 183 Cb 0.39 -0.90 0.52 0.00 0.00 0.00 0.00 19.45 19.46 3hl7 n ALA 183 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hl7 h THR 184 N -0.41 0.93 -1.01 0.00 1.35 -2.00 -3.22 112.91 108.55 3hl7 h THR 184 Ca -0.31 -0.91 0.27 0.00 -0.55 0.00 0.00 66.41 64.91 3hl7 h THR 184 Cb 0.98 1.53 -0.13 0.00 -1.73 0.00 0.00 68.15 68.79 3hl7 h THR 184 CO 0.22 0.24 0.59 -0.09 -0.25 0.00 0.00 175.52 176.23 3hl7 h ARG 185 N 0.00 0.47 -0.16 4.72 9.65 -1.98 -2.91 114.38 124.18 3hl7 h ARG 185 Ca -0.00 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 3hl7 h ARG 185 Cb 0.51 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3hl7 h ARG 185 CO 0.03 0.31 0.14 -1.49 2.80 0.00 0.00 179.97 181.77 3hl7 h TRP 186 N 0.49 0.00 -0.22 2.20 6.55 -1.78 -1.86 115.95 121.32 3hl7 h TRP 186 Ca 0.67 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.51 3hl7 h TRP 186 Cb 1.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.70 3hl7 h TRP 186 CO -0.01 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.04 3hl7 n TYR 187 N -4.12 0.28 -3.12 0.49 4.02 -1.10 -4.52 117.16 109.09 3hl7 n TYR 187 Ca 0.01 -0.24 -0.39 0.00 -0.01 0.00 0.00 57.90 57.27 3hl7 n TYR 187 Cb 0.27 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.52 3hl7 n TYR 187 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3hl7 s ARG 188 N -1.09 4.39 0.49 -0.72 3.52 -0.70 -3.65 118.95 121.19 3hl7 s ARG 188 Ca 0.23 0.95 -0.23 0.00 -0.13 0.00 0.00 55.73 56.54 3hl7 s ARG 188 Cb 0.13 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.19 3hl7 s ARG 188 CO 0.19 0.56 1.35 0.00 -0.81 0.00 0.00 175.30 176.59 3hl7 s ALA 189 N -0.98 3.01 0.48 6.12 0.00 -1.26 -4.85 121.76 124.29 3hl7 s ALA 189 Ca 0.33 1.31 0.15 0.00 0.00 0.00 0.00 51.96 53.75 3hl7 s ALA 189 Cb -0.21 -3.54 1.14 0.00 0.00 0.00 0.00 23.12 20.51 3hl7 s ALA 189 CO 0.22 -1.17 2.08 -1.00 0.00 0.00 0.00 175.76 175.89 3hl7 h PRO 190 N 1.93 0.01 0.00 0.00 0.13 -1.95 -1.44 132.00 130.67 3hl7 h PRO 190 Ca -0.51 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 3hl7 h PRO 190 Cb 1.28 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3hl7 h PRO 190 CO 0.59 0.09 -0.22 1.05 -0.23 0.00 0.00 178.00 179.28 3hl7 h GLU 191 N 0.01 0.00 -0.05 0.86 9.09 -1.90 -0.74 114.58 121.85 3hl7 h GLU 191 Ca 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.21 3hl7 h GLU 191 Cb 0.15 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3hl7 h GLU 191 CO 0.01 0.22 -0.83 0.82 0.05 0.00 0.00 179.01 179.28 3hl7 h ILE 192 N 0.00 1.39 -0.13 -1.06 2.04 -1.56 -1.71 117.51 116.47 3hl7 h ILE 192 Ca -0.00 -2.28 -0.04 0.00 1.00 0.00 0.00 64.86 63.54 3hl7 h ILE 192 Cb 0.49 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3hl7 h ILE 192 CO 0.03 0.68 -0.11 0.24 0.00 0.00 0.00 178.15 179.00 3hl7 h MET 193 N 0.27 0.20 -0.00 2.37 2.86 -0.95 -1.88 114.93 117.79 3hl7 h MET 193 Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3hl7 h MET 193 Cb 1.44 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.07 3hl7 h MET 193 CO 0.14 0.32 -0.05 1.28 1.06 0.00 0.00 176.91 179.66 3hl7 n LEU 194 N -4.31 0.13 -0.96 1.22 4.77 -0.37 -4.95 117.00 112.53 3hl7 n LEU 194 Ca -0.01 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 3hl7 n LEU 194 Cb 0.24 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3hl7 n LEU 194 CO 0.37 0.03 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.17 3hl7 n ASN 195 N -1.27 -2.93 -4.68 -1.43 4.05 -0.71 -4.99 115.26 103.29 3hl7 n ASN 195 Ca 0.12 -0.02 -0.42 0.00 0.45 0.00 0.00 54.58 54.71 3hl7 n ASN 195 Cb 0.27 -2.20 -0.03 0.00 1.23 0.00 0.00 39.78 39.06 3hl7 n ASN 195 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3hl7 s TRP 196 N -2.44 2.86 -1.28 1.20 -0.00 -0.67 -4.93 118.94 113.68 3hl7 s TRP 196 Ca 0.01 0.87 0.28 0.00 -0.00 0.00 0.00 56.10 57.26 3hl7 s TRP 196 Cb -0.01 -3.62 1.07 0.00 -0.00 0.00 0.00 33.47 30.92 3hl7 s TRP 196 CO 0.02 -2.24 1.79 0.00 -0.00 0.00 0.00 176.95 176.51 3hl7 n MET 197 N 5.59 0.29 -0.90 5.86 0.00 -1.26 -4.02 117.12 122.69 3hl7 n MET 197 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 57.70 57.68 3hl7 n MET 197 Cb 0.44 -1.50 0.25 0.00 0.00 0.00 0.00 33.22 32.41 3hl7 n MET 197 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3hl7 n HIS 198 N -1.27 1.92 -0.75 3.17 8.25 -1.26 -5.02 115.22 120.26 3hl7 n HIS 198 Ca 0.10 -1.37 -0.32 0.00 -0.26 0.00 0.00 57.72 55.87 3hl7 n HIS 198 Cb 0.31 -0.62 0.15 0.00 1.12 0.00 0.00 29.99 30.95 3hl7 n HIS 198 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3hl7 n TYR 199 N -0.67 0.07 -4.36 4.41 0.18 -1.26 -5.05 117.16 110.48 3hl7 n TYR 199 Ca 0.39 0.34 -0.30 0.00 1.88 0.00 0.00 57.90 60.21 3hl7 n TYR 199 Cb 1.26 -1.93 -0.04 0.00 -0.38 0.00 0.00 39.34 38.25 3hl7 n TYR 199 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 3hl7 n ASN 200 N -3.15 3.12 0.20 9.48 0.23 -1.26 -5.02 115.26 118.87 3hl7 n ASN 200 Ca 0.10 -3.09 0.18 0.00 -0.53 0.00 0.00 54.58 51.24 3hl7 n ASN 200 Cb 0.52 0.17 0.82 0.00 -2.08 0.00 0.00 39.78 39.21 3hl7 n ASN 200 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3hl7 h GLN 201 N 0.00 0.00 0.00 -3.83 4.20 -1.96 -2.40 115.11 111.11 3hl7 h GLN 201 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 3hl7 h GLN 201 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3hl7 h GLN 201 CO 0.63 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 179.04 3hl7 n THR 202 N -3.49 0.44 -0.14 -0.54 -2.24 -1.26 -1.56 114.28 105.50 3hl7 n THR 202 Ca 0.03 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 3hl7 n THR 202 Cb 0.44 -0.79 0.49 0.00 -2.10 0.00 0.00 70.33 68.37 3hl7 n THR 202 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3hl7 h VAL 203 N 0.00 0.85 -0.10 2.28 -1.51 -1.82 -1.68 116.25 114.27 3hl7 h VAL 203 Ca 0.00 -0.15 -0.14 0.00 -1.23 0.00 0.00 66.70 65.17 3hl7 h VAL 203 Cb 0.19 0.36 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 3hl7 h VAL 203 CO 0.00 0.08 -0.56 0.44 -1.23 0.00 0.00 177.57 176.30 3hl7 h ASP 204 N 0.45 0.35 -0.73 4.19 3.45 -1.54 -2.81 116.42 119.79 3hl7 h ASP 204 Ca 0.34 -0.19 -0.07 0.00 0.43 0.00 0.00 57.03 57.54 3hl7 h ASP 204 Cb 0.69 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 3hl7 h ASP 204 CO -0.11 0.84 0.19 0.40 -1.57 0.00 0.00 179.24 179.00 3hl7 h ILE 205 N 0.24 1.26 -0.35 0.35 1.08 -1.47 -1.36 117.51 117.27 3hl7 h ILE 205 Ca 0.00 -0.96 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3hl7 h ILE 205 Cb 1.06 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 35.24 3hl7 h ILE 205 CO 0.09 0.37 -0.00 -0.25 -0.69 0.00 0.00 178.15 177.67 3hl7 h TRP 206 N 1.09 -0.03 -0.81 1.37 2.91 -1.26 -1.47 115.95 117.76 3hl7 h TRP 206 Ca 0.23 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.28 3hl7 h TRP 206 Cb 0.35 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 3hl7 h TRP 206 CO 0.03 -0.07 0.54 0.77 -1.03 0.00 0.00 178.44 178.68 3hl7 h SER 207 N 0.09 0.93 -0.98 2.65 0.02 -1.23 -1.70 113.55 113.34 3hl7 h SER 207 Ca 0.17 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3hl7 h SER 207 Cb 0.24 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3hl7 h SER 207 CO -0.29 0.68 0.65 0.58 -1.14 0.00 0.00 176.83 177.30 3hl7 h VAL 208 N 1.10 1.22 -0.61 2.27 2.07 -0.65 -1.04 116.25 120.61 3hl7 h VAL 208 Ca 0.30 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3hl7 h VAL 208 Cb -0.12 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.43 3hl7 h VAL 208 CO -0.06 0.24 0.32 1.23 0.02 0.00 0.00 177.57 179.31 3hl7 h GLY 209 N 1.29 0.92 1.02 2.17 0.00 -0.61 0.22 103.07 108.09 3hl7 h GLY 209 Ca 0.37 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3hl7 h GLY 209 CO -0.09 0.41 0.28 0.00 0.00 0.00 0.00 176.54 177.13 3hl7 h ILE 211 N 1.00 1.21 -0.46 0.00 2.04 -0.85 -2.37 117.51 118.09 3hl7 h ILE 211 Ca 0.23 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.40 3hl7 h ILE 211 Cb 0.22 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 3hl7 h ILE 211 CO -0.02 0.19 0.19 -0.03 0.00 0.00 0.00 178.15 178.48 3hl7 h MET 212 N -0.35 0.37 -0.48 2.37 4.05 -0.50 -0.47 114.93 119.92 3hl7 h MET 212 Ca -0.00 -0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.48 3hl7 h MET 212 Cb 0.34 -0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 30.98 3hl7 h MET 212 CO 0.01 0.24 0.05 0.00 0.23 0.00 0.00 176.91 177.44 3hl7 h ALA 213 N 1.28 0.49 -0.50 0.39 0.00 -1.08 -1.53 119.26 118.31 3hl7 h ALA 213 Ca 0.21 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3hl7 h ALA 213 Cb 0.17 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hl7 h ALA 213 CO -0.19 -0.35 -0.01 1.49 0.00 0.00 0.00 179.25 180.19 3hl7 h GLU 214 N 0.17 0.84 -0.53 0.00 4.81 -0.85 -0.55 114.58 118.49 3hl7 h GLU 214 Ca 0.24 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3hl7 h GLU 214 Cb 0.34 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3hl7 h GLU 214 CO -0.35 0.85 0.13 -0.07 -0.73 0.00 0.00 179.01 178.84 3hl7 h LEU 215 N 0.78 0.74 0.16 1.64 3.38 -0.58 0.16 115.31 121.59 3hl7 h LEU 215 Ca 0.15 -0.13 -0.29 0.00 0.09 0.00 0.00 57.88 57.70 3hl7 h LEU 215 Cb 0.48 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hl7 h LEU 215 CO 0.02 0.73 -1.31 -0.07 0.09 0.00 0.00 178.44 177.90 3hl7 h LEU 216 N 0.78 0.52 0.00 1.67 3.38 -0.77 -3.38 115.31 117.50 3hl7 h LEU 216 Ca 0.17 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 3hl7 h LEU 216 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hl7 h LEU 216 CO -0.00 1.44 -2.07 0.35 0.09 0.00 0.00 178.44 178.25 3hl7 n THR 217 N -3.57 0.50 -1.02 0.22 -2.24 -0.26 -4.97 114.28 102.94 3hl7 n THR 217 Ca -0.11 -0.62 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 3hl7 n THR 217 Cb 1.04 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3hl7 n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hl7 n GLY 218 N 1.42 0.48 2.98 3.38 0.00 0.04 -5.05 105.19 108.44 3hl7 n GLY 218 Ca -0.13 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 3hl7 n GLY 218 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hl7 s ARG 219 N -0.84 0.34 0.06 1.61 1.70 -1.24 -4.99 118.95 115.59 3hl7 s ARG 219 Ca 0.00 -0.48 -0.34 0.00 -0.47 0.00 0.00 55.73 54.44 3hl7 s ARG 219 Cb 0.00 -0.12 -0.13 0.00 -0.57 0.00 0.00 34.95 34.12 3hl7 s ARG 219 CO 0.00 0.02 1.68 2.41 -1.08 0.00 0.00 175.30 178.33 3hl7 n THR 220 N 2.05 0.21 -0.04 4.99 -1.04 -1.26 -4.19 114.28 115.00 3hl7 n THR 220 Ca -0.20 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 61.66 3hl7 n THR 220 Cb 0.56 -1.62 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 3hl7 n THR 220 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hl7 h LEU 221 N 7.05 0.23 -6.47 -4.42 5.85 -1.92 -3.38 115.31 112.25 3hl7 h LEU 221 Ca -0.46 -0.32 -0.60 0.00 0.84 0.00 0.00 57.88 57.34 3hl7 h LEU 221 Cb 1.26 -0.06 -0.40 0.00 0.37 0.00 0.00 40.66 41.83 3hl7 h LEU 221 CO 0.91 0.49 -0.80 0.49 -0.34 0.00 0.00 178.44 179.19 3hl7 n PHE 222 N -4.77 1.46 -1.63 1.25 3.01 -1.26 -5.02 117.46 110.50 3hl7 n PHE 222 Ca -0.06 -3.85 -0.41 0.00 1.01 0.00 0.00 57.45 54.15 3hl7 n PHE 222 Cb 0.21 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 39.37 3hl7 n PHE 222 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3hl7 n PRO 223 N 1.84 3.30 -2.22 -1.08 -0.04 -1.26 -4.51 135.00 131.03 3hl7 n PRO 223 Ca 0.25 -2.56 -0.39 0.00 -0.04 0.00 0.00 63.50 60.76 3hl7 n PRO 223 Cb 0.44 -3.05 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 3hl7 n PRO 223 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hl7 s GLY 224 N 2.52 2.94 0.00 0.55 0.00 -1.26 -4.94 107.32 107.13 3hl7 s GLY 224 Ca 0.55 1.09 0.27 0.00 0.00 0.00 0.00 44.72 46.63 3hl7 s GLY 224 CO -0.07 1.66 1.71 -1.30 0.00 0.00 0.00 173.10 175.10 3hl7 n THR 225 N 0.42 0.00 -3.86 0.90 -2.24 -1.26 -4.81 114.28 103.43 3hl7 n THR 225 Ca 0.02 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 3hl7 n THR 225 Cb 0.44 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 3hl7 n THR 225 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hl7 n ASP 226 N -1.28 -1.33 -0.37 3.42 3.85 -1.26 -5.00 116.55 114.58 3hl7 n ASP 226 Ca 0.09 -1.61 -0.02 0.00 -0.71 0.00 0.00 54.79 52.54 3hl7 n ASP 226 Cb 0.32 2.14 0.11 0.00 -1.35 0.00 0.00 41.12 42.34 3hl7 n ASP 226 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3hl7 h HIS 227 N 1.82 1.26 0.36 2.11 3.86 -1.96 0.54 115.15 123.14 3hl7 h HIS 227 Ca -0.21 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 3hl7 h HIS 227 Cb 0.99 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3hl7 h HIS 227 CO 0.00 0.80 -0.17 0.82 0.86 0.00 0.00 177.93 180.24 3hl7 h ILE 228 N 1.35 0.54 -0.91 2.45 5.03 -1.96 -2.74 117.51 121.26 3hl7 h ILE 228 Ca 0.36 -0.63 0.15 0.00 -0.12 0.00 0.00 64.86 64.63 3hl7 h ILE 228 Cb -0.15 0.80 -0.10 0.00 -3.03 0.00 0.00 36.82 34.35 3hl7 h ILE 228 CO -0.08 0.10 0.51 -0.78 -0.68 0.00 0.00 178.15 177.23 3hl7 h ASP 229 N -0.89 0.66 -0.41 1.72 3.58 -1.94 -1.65 116.42 117.49 3hl7 h ASP 229 Ca -0.05 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.50 3hl7 h ASP 229 Cb 0.54 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 3hl7 h ASP 229 CO 0.08 0.28 0.26 -0.61 -2.88 0.00 0.00 179.24 176.37 3hl7 h GLN 230 N 0.72 0.52 -0.51 0.28 5.75 -0.86 -0.96 115.11 120.06 3hl7 h GLN 230 Ca 0.50 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.88 3hl7 h GLN 230 Cb 0.69 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3hl7 h GLN 230 CO -0.35 0.34 -0.03 1.25 -2.65 0.00 0.00 178.83 177.39 3hl7 h LEU 231 N 0.53 0.90 -0.57 -2.39 7.12 -1.15 -2.13 115.31 117.63 3hl7 h LEU 231 Ca 0.16 -0.32 0.08 0.00 0.13 0.00 0.00 57.88 57.93 3hl7 h LEU 231 Cb -0.04 -0.24 -0.07 0.00 -0.53 0.00 0.00 40.66 39.78 3hl7 h LEU 231 CO -0.05 1.00 0.20 0.11 -0.13 0.00 0.00 178.44 179.58 3hl7 h LYS 232 N 0.77 0.37 -0.50 1.25 1.57 -0.94 0.39 116.57 119.48 3hl7 h LYS 232 Ca 0.14 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3hl7 h LYS 232 Cb 0.56 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3hl7 h LYS 232 CO 0.03 0.24 0.15 -0.07 -0.57 0.00 0.00 179.45 179.24 3hl7 h LEU 233 N 0.38 0.73 0.15 2.94 3.38 -1.03 -2.14 115.31 119.73 3hl7 h LEU 233 Ca 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hl7 h LEU 233 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hl7 h LEU 233 CO -0.29 0.75 -0.07 0.40 0.09 0.00 0.00 178.44 179.32 3hl7 h ILE 234 N 0.68 0.87 0.00 1.22 2.04 -0.84 -2.74 117.51 118.73 3hl7 h ILE 234 Ca 0.16 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3hl7 h ILE 234 Cb 0.28 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3hl7 h ILE 234 CO -0.00 0.02 -0.08 -0.07 0.00 0.00 0.00 178.15 178.01 3hl7 h LEU 235 N -0.24 0.00 -0.76 1.44 4.07 -0.86 -1.51 115.31 117.46 3hl7 h LEU 235 Ca -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 3hl7 h LEU 235 Cb 0.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3hl7 h LEU 235 CO 0.03 0.08 0.33 -0.09 -1.08 0.00 0.00 178.44 177.72 3hl7 h ARG 236 N 0.00 1.12 0.04 1.13 2.43 -1.07 0.36 114.38 118.39 3hl7 h ARG 236 Ca -0.00 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3hl7 h ARG 236 Cb 0.22 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3hl7 h ARG 236 CO 0.01 0.89 -0.02 1.25 -1.51 0.00 0.00 179.97 180.59 3hl7 h LEU 237 N 1.09 -0.04 -0.36 3.80 5.85 -1.28 -3.41 115.31 120.97 3hl7 h LEU 237 Ca 0.26 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3hl7 h LEU 237 Cb 0.17 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hl7 h LEU 237 CO -0.03 0.72 -0.55 1.33 -0.34 0.00 0.00 178.44 179.57 3hl7 n VAL 238 N -4.74 0.00 0.00 1.05 0.24 -0.65 -0.74 118.33 113.49 3hl7 n VAL 238 Ca -0.08 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3hl7 n VAL 238 Cb 0.34 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 3hl7 n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hl7 n GLY 239 N 1.44 0.07 3.80 7.63 0.00 0.12 -4.18 105.19 114.05 3hl7 n GLY 239 Ca 0.08 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 3hl7 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hl7 s THR 240 N -2.97 3.69 0.40 2.61 -4.23 -0.45 -4.64 115.64 110.05 3hl7 s THR 240 Ca 0.00 0.68 -0.26 0.00 -1.18 0.00 0.00 61.69 60.93 3hl7 s THR 240 Cb 0.00 -3.26 -0.10 0.00 1.34 0.00 0.00 72.50 70.48 3hl7 s THR 240 CO 0.00 -0.59 1.32 -2.65 -0.54 0.00 0.00 174.62 172.16 3hl7 n PRO 241 N -2.65 2.09 -1.81 3.99 -0.02 -1.26 -4.85 135.00 130.48 3hl7 n PRO 241 Ca 0.09 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 62.01 3hl7 n PRO 241 Cb 0.53 -2.43 0.21 0.00 -0.02 0.00 0.00 33.50 31.79 3hl7 n PRO 241 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hl7 s GLY 242 N -0.43 1.78 0.23 -1.23 0.00 -1.26 -4.79 107.32 101.61 3hl7 s GLY 242 Ca 0.59 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.99 3hl7 s GLY 242 CO 0.60 -0.42 1.76 0.00 0.00 0.00 0.00 173.10 175.03 3hl7 h ALA 243 N -1.88 1.04 -0.85 3.20 0.00 -1.99 -0.69 119.26 118.10 3hl7 h ALA 243 Ca -0.44 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hl7 h ALA 243 Cb 1.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3hl7 h ALA 243 CO 0.33 0.64 0.56 1.49 0.00 0.00 0.00 179.25 182.27 3hl7 h GLU 244 N 1.01 1.10 0.04 0.00 4.81 -2.00 -2.41 114.58 117.13 3hl7 h GLU 244 Ca 0.22 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 59.11 3hl7 h GLU 244 Cb 0.33 -0.25 0.02 0.00 0.63 0.00 0.00 28.75 29.48 3hl7 h GLU 244 CO -0.00 0.73 -1.09 1.25 -0.73 0.00 0.00 179.01 179.17 3hl7 h LEU 245 N 1.14 0.89 -1.36 1.64 5.85 -1.88 -3.29 115.31 118.30 3hl7 h LEU 245 Ca 0.32 -0.77 0.07 0.00 0.84 0.00 0.00 57.88 58.34 3hl7 h LEU 245 Cb -0.11 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.60 3hl7 h LEU 245 CO -0.08 1.55 0.49 -0.07 -0.34 0.00 0.00 178.44 180.00 3hl7 h LEU 246 N 0.33 0.67 -0.04 2.25 3.38 -0.99 -1.57 115.31 119.34 3hl7 h LEU 246 Ca -0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hl7 h LEU 246 Cb 1.75 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3hl7 h LEU 246 CO 0.21 0.43 0.00 2.29 0.09 0.00 0.00 178.44 181.46 3hl7 n LYS 247 N -4.49 0.01 0.00 1.13 2.85 -0.92 -2.24 118.16 114.50 3hl7 n LYS 247 Ca 0.11 0.30 0.13 0.00 -1.05 0.00 0.00 58.31 57.81 3hl7 n LYS 247 Cb 0.25 -1.52 0.33 0.00 -0.65 0.00 0.00 35.03 33.44 3hl7 n LYS 247 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3hl7 n LYS 248 N -1.53 1.91 -3.48 -1.58 5.02 -0.59 -4.85 118.16 113.06 3hl7 n LYS 248 Ca 0.03 -1.36 -0.43 0.00 -2.02 0.00 0.00 58.31 54.53 3hl7 n LYS 248 Cb 0.14 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 3hl7 n LYS 248 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hl7 s ILE 249 N -2.03 5.14 0.12 -0.18 1.01 -0.95 -4.94 121.20 119.36 3hl7 s ILE 249 Ca 0.33 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3hl7 s ILE 249 Cb 0.20 -3.88 -0.15 0.00 0.01 0.00 0.00 42.46 38.64 3hl7 s ILE 249 CO 0.33 -0.32 1.33 -1.28 0.00 0.00 0.00 174.94 175.00 3hl7 h SER 250 N 8.61 0.85 -2.37 3.58 0.87 -1.88 -3.45 113.55 119.75 3hl7 h SER 250 Ca -0.27 -0.56 -0.55 0.00 -1.23 0.00 0.00 61.79 59.18 3hl7 h SER 250 Cb 1.12 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 3hl7 h SER 250 CO 0.73 1.35 1.25 -0.55 -0.53 0.00 0.00 176.83 179.09 3hl7 s SER 251 N -7.09 6.27 0.15 6.23 0.15 -1.26 -4.89 113.70 113.25 3hl7 s SER 251 Ca -0.09 2.33 -0.18 0.00 0.70 0.00 0.00 55.95 58.71 3hl7 s SER 251 Cb 0.09 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.91 3hl7 s SER 251 CO 0.89 -1.25 1.71 -0.08 1.20 0.00 0.00 173.24 175.72 3hl7 h GLU 252 N 11.38 0.08 -0.31 5.44 4.57 -2.00 -2.15 114.58 131.61 3hl7 h GLU 252 Ca -0.45 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3hl7 h GLU 252 Cb 1.22 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3hl7 h GLU 252 CO 0.95 0.05 0.09 0.66 -1.18 0.00 0.00 179.01 179.58 3hl7 h SER 253 N 0.08 0.46 -0.95 1.04 4.64 -1.99 -0.84 113.55 115.99 3hl7 h SER 253 Ca 0.15 -0.22 0.08 0.00 -0.47 0.00 0.00 61.79 61.33 3hl7 h SER 253 Cb 0.20 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 3hl7 h SER 253 CO -0.25 0.55 0.60 0.00 -0.87 0.00 0.00 176.83 176.86 3hl7 h ALA 254 N 0.92 1.35 -0.29 5.18 0.00 -1.93 -1.43 119.26 123.07 3hl7 h ALA 254 Ca 0.10 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3hl7 h ALA 254 Cb 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hl7 h ALA 254 CO -0.00 0.31 -0.46 0.00 0.00 0.00 0.00 179.25 179.11 3hl7 h ARG 255 N 1.04 0.82 -0.64 0.00 3.08 -1.06 -1.25 114.38 116.38 3hl7 h ARG 255 Ca 0.43 -0.50 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3hl7 h ARG 255 Cb 0.27 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3hl7 h ARG 255 CO -0.20 1.13 0.39 -0.91 -1.07 0.00 0.00 179.97 179.31 3hl7 h ASN 256 N 0.59 0.64 0.45 7.04 -0.26 -0.89 0.78 115.58 123.94 3hl7 h ASN 256 Ca 0.03 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 3hl7 h ASN 256 Cb 1.06 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 3hl7 h ASN 256 CO 0.10 0.45 -0.22 0.22 -1.06 0.00 0.00 177.43 176.92 3hl7 h TYR 257 N 0.77 -0.57 -0.37 1.19 3.20 -1.15 -1.87 116.97 118.17 3hl7 h TYR 257 Ca 0.26 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3hl7 h TYR 257 Cb 0.02 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3hl7 h TYR 257 CO -0.05 -0.28 0.18 0.82 -1.64 0.00 0.00 178.16 177.18 3hl7 h ILE 258 N -0.76 1.17 0.00 1.81 2.04 -1.12 -2.76 117.51 117.89 3hl7 h ILE 258 Ca -0.06 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hl7 h ILE 258 Cb 0.54 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3hl7 h ILE 258 CO 0.10 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.43 3hl7 n GLN 259 N -4.72 0.18 0.18 2.37 6.02 0.26 -2.70 117.38 118.98 3hl7 n GLN 259 Ca -0.01 0.26 0.10 0.00 -0.01 0.00 0.00 57.00 57.34 3hl7 n GLN 259 Cb 0.11 -1.76 0.11 0.00 1.02 0.00 0.00 30.24 29.73 3hl7 n GLN 259 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3hl7 h SER 260 N 0.00 0.00 -4.18 1.08 0.02 -1.05 -3.47 113.55 105.96 3hl7 h SER 260 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 3hl7 h SER 260 Cb 0.54 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.16 3hl7 h SER 260 CO 0.00 0.11 0.38 -0.76 -1.14 0.00 0.00 176.83 175.42 3hl7 s LEU 261 N -6.12 3.49 0.17 5.07 1.43 -1.10 -4.97 118.68 116.65 3hl7 s LEU 261 Ca 0.05 1.94 -0.31 0.00 -1.03 0.00 0.00 54.13 54.79 3hl7 s LEU 261 Cb 0.06 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 3hl7 s LEU 261 CO 0.70 -1.37 1.45 -0.89 0.23 0.00 0.00 176.35 176.48 3hl7 s THR 262 N -2.31 2.93 0.49 5.49 2.01 -1.26 -4.93 115.64 118.07 3hl7 s THR 262 Ca 0.66 0.70 -0.24 0.00 0.31 0.00 0.00 61.69 63.12 3hl7 s THR 262 Cb -0.19 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 3hl7 s THR 262 CO 0.37 0.07 1.38 0.00 -0.69 0.00 0.00 174.62 175.75 3hl7 n GLN 263 N 3.45 1.96 -4.71 4.92 -0.00 -1.26 -4.94 117.38 116.80 3hl7 n GLN 263 Ca 0.11 0.71 -0.26 0.00 -0.00 0.00 0.00 57.00 57.56 3hl7 n GLN 263 Cb 0.41 -2.58 -0.16 0.00 -0.00 0.00 0.00 30.24 27.90 3hl7 n GLN 263 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 3hl7 s MET 264 N -2.62 1.82 0.53 2.61 1.75 -1.26 -4.96 119.30 117.17 3hl7 s MET 264 Ca 0.66 -0.51 -0.18 0.00 -1.25 0.00 0.00 55.69 54.41 3hl7 s MET 264 Cb -0.44 -1.51 -0.07 0.00 2.84 0.00 0.00 34.83 35.65 3hl7 s MET 264 CO 0.54 0.11 1.03 -1.25 -0.65 0.00 0.00 175.02 174.79 3hl7 s PRO 265 N 0.42 3.69 0.25 4.11 0.04 -1.26 -1.34 135.00 140.91 3hl7 s PRO 265 Ca -0.11 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 3hl7 s PRO 265 Cb -0.14 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 3hl7 s PRO 265 CO 0.04 -0.50 1.53 0.21 0.04 0.00 0.00 177.00 178.32 3hl7 s LYS 266 N -3.72 4.20 0.74 4.56 2.20 -1.26 -3.75 119.74 122.71 3hl7 s LYS 266 Ca 0.64 2.43 -0.11 0.00 -0.36 0.00 0.00 55.97 58.56 3hl7 s LYS 266 Cb -0.14 -3.09 0.04 0.00 -1.51 0.00 0.00 37.83 33.13 3hl7 s LYS 266 CO 0.28 -0.55 1.12 -1.64 -0.36 0.00 0.00 175.35 174.20 3hl7 s MET 267 N -0.05 2.52 -0.50 4.03 -1.94 0.08 -4.90 119.30 118.52 3hl7 s MET 267 Ca 0.64 0.30 -0.25 0.00 -1.71 0.00 0.00 55.69 54.66 3hl7 s MET 267 Cb -0.45 -2.01 0.03 0.00 2.01 0.00 0.00 34.83 34.42 3hl7 s MET 267 CO 0.42 -1.23 0.96 1.21 -0.01 0.00 0.00 175.02 176.36 3hl7 s ASN 268 N -4.44 6.44 0.23 3.03 3.84 -1.26 -4.92 114.94 117.86 3hl7 s ASN 268 Ca 0.59 -0.05 -0.07 0.00 0.21 0.00 0.00 52.86 53.55 3hl7 s ASN 268 Cb -0.11 -2.46 0.25 0.00 -0.55 0.00 0.00 41.25 38.38 3hl7 s ASN 268 CO 0.50 -1.16 1.89 -0.26 -2.79 0.00 0.00 177.10 175.29 3hl7 h PHE 269 N 9.21 1.09 -0.51 0.43 -1.00 -1.94 -1.15 116.94 123.07 3hl7 h PHE 269 Ca -0.25 0.03 0.13 0.00 2.81 0.00 0.00 57.97 60.69 3hl7 h PHE 269 Cb 1.07 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.24 3hl7 h PHE 269 CO 0.90 0.65 0.36 0.00 -1.61 0.00 0.00 178.31 178.61 3hl7 h ALA 270 N 1.35 2.34 0.13 2.45 0.00 -1.92 0.65 119.26 124.26 3hl7 h ALA 270 Ca 0.34 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 3hl7 h ALA 270 Cb -0.05 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hl7 h ALA 270 CO -0.10 -0.47 -0.89 -0.91 0.00 0.00 0.00 179.25 176.87 3hl7 h ASN 271 N 0.10 0.43 -0.70 0.00 2.35 -1.68 -2.67 115.58 113.42 3hl7 h ASN 271 Ca 0.24 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 55.05 3hl7 h ASN 271 Cb 0.82 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3hl7 h ASN 271 CO -0.03 1.42 0.40 0.58 -1.65 0.00 0.00 177.43 178.16 3hl7 h VAL 272 N -0.40 1.21 -0.53 2.81 2.07 -0.67 -3.01 116.25 117.73 3hl7 h VAL 272 Ca -0.17 -0.49 -0.18 0.00 0.82 0.00 0.00 66.70 66.68 3hl7 h VAL 272 Cb 1.63 0.27 -0.11 0.00 -1.52 0.00 0.00 31.29 31.56 3hl7 h VAL 272 CO 0.12 0.22 0.14 0.49 0.02 0.00 0.00 177.57 178.57 3hl7 n PHE 273 N -4.52 1.74 -1.68 1.57 3.72 0.17 -5.03 117.46 113.42 3hl7 n PHE 273 Ca 0.06 -1.30 -0.42 0.00 -0.05 0.00 0.00 57.45 55.74 3hl7 n PHE 273 Cb 0.07 -0.56 0.01 0.00 -0.94 0.00 0.00 39.48 38.05 3hl7 n PHE 273 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 3hl7 n ILE 274 N -0.63 2.36 0.00 4.37 3.06 -1.00 -1.31 119.36 126.21 3hl7 n ILE 274 Ca 0.36 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 3hl7 n ILE 274 Cb 1.19 -1.48 0.00 0.00 0.54 0.00 0.00 39.64 39.89 3hl7 n ILE 274 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hl7 n GLY 275 N 0.87 3.01 3.74 4.50 0.00 -1.26 -5.06 105.19 110.99 3hl7 n GLY 275 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3hl7 n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl7 s ALA 276 N -2.51 1.95 -0.14 4.61 0.00 -0.43 -4.93 121.76 120.31 3hl7 s ALA 276 Ca 0.00 0.31 -0.37 0.00 0.00 0.00 0.00 51.96 51.90 3hl7 s ALA 276 Cb 0.00 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.67 3hl7 s ALA 276 CO 0.00 -2.10 1.78 -1.71 0.00 0.00 0.00 175.76 173.73 3hl7 n ASN 277 N -3.76 2.90 -0.20 0.00 2.85 -1.26 -4.87 115.26 110.92 3hl7 n ASN 277 Ca 0.09 1.03 0.27 0.00 -0.11 0.00 0.00 54.58 55.86 3hl7 n ASN 277 Cb 0.53 -1.27 0.68 0.00 1.24 0.00 0.00 39.78 40.96 3hl7 n ASN 277 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hl7 h PRO 278 N 7.95 0.08 -0.54 1.20 0.11 -1.96 0.55 132.00 139.39 3hl7 h PRO 278 Ca -0.47 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3hl7 h PRO 278 Cb 1.29 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3hl7 h PRO 278 CO 0.94 0.05 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.64 3hl7 h LEU 279 N 0.08 0.98 -0.56 2.35 4.07 -1.99 -1.15 115.31 119.09 3hl7 h LEU 279 Ca 0.44 -0.30 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3hl7 h LEU 279 Cb 1.61 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 43.06 3hl7 h LEU 279 CO -0.05 1.07 0.14 0.00 -1.08 0.00 0.00 178.44 178.52 3hl7 h ALA 280 N 1.02 0.74 -0.47 1.53 0.00 -1.33 -1.49 119.26 119.26 3hl7 h ALA 280 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hl7 h ALA 280 Cb 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hl7 h ALA 280 CO 0.04 0.45 0.30 0.28 0.00 0.00 0.00 179.25 180.31 3hl7 h VAL 281 N 0.81 1.09 -0.51 0.00 2.07 -0.97 -0.94 116.25 117.78 3hl7 h VAL 281 Ca 0.18 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3hl7 h VAL 281 Cb 0.34 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hl7 h VAL 281 CO 0.00 0.11 0.30 -0.78 0.02 0.00 0.00 177.57 177.22 3hl7 h ASP 282 N 0.60 0.63 -0.36 0.57 3.58 -1.05 -1.65 116.42 118.73 3hl7 h ASP 282 Ca 0.18 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 3hl7 h ASP 282 Cb -0.03 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3hl7 h ASP 282 CO -0.06 0.51 0.15 0.25 -2.88 0.00 0.00 179.24 177.22 3hl7 h LEU 283 N 0.69 0.49 -0.56 2.28 5.85 -1.10 -2.90 115.31 120.07 3hl7 h LEU 283 Ca 0.18 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3hl7 h LEU 283 Cb 0.01 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.82 3hl7 h LEU 283 CO -0.03 0.52 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.48 3hl7 h LEU 284 N 0.44 -0.32 -2.04 2.25 4.07 -0.89 -0.67 115.31 118.14 3hl7 h LEU 284 Ca 0.12 0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 3hl7 h LEU 284 Cb 0.17 0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 3hl7 h LEU 284 CO -0.01 -0.12 -0.04 1.05 -1.08 0.00 0.00 178.44 178.24 3hl7 h GLU 285 N 0.08 0.00 0.00 1.13 4.11 -1.23 -0.46 114.58 118.22 3hl7 h GLU 285 Ca 0.28 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.64 3hl7 h GLU 285 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3hl7 h GLU 285 CO -0.50 0.04 -0.85 0.87 0.07 0.00 0.00 179.01 178.65 3hl7 h LYS 286 N 0.00 0.00 0.13 1.06 1.57 -0.96 -3.36 116.57 115.01 3hl7 h LYS 286 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 3hl7 h LYS 286 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hl7 h LYS 286 CO 0.01 0.19 -1.90 0.52 -0.57 0.00 0.00 179.45 177.70 3hl7 h MET 287 N 0.00 0.27 -1.88 3.15 2.86 -0.95 -1.54 114.93 116.84 3hl7 h MET 287 Ca -0.05 -0.45 -0.68 0.00 -2.06 0.00 0.00 59.70 56.45 3hl7 h MET 287 Cb 1.26 0.17 -0.25 0.00 0.06 0.00 0.00 31.60 32.84 3hl7 h MET 287 CO 0.03 1.16 0.87 1.28 1.06 0.00 0.00 176.91 181.31 3hl7 n LEU 288 N -3.46 7.27 -4.75 1.22 4.77 -0.21 -4.25 117.00 117.59 3hl7 n LEU 288 Ca -0.28 -4.55 -0.38 0.00 -0.03 0.00 0.00 56.01 50.77 3hl7 n LEU 288 Cb 1.05 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3hl7 n LEU 288 CO 0.45 1.70 0.18 -0.69 -1.33 0.00 0.00 177.39 177.71 3hl7 s VAL 289 N -4.30 5.10 0.07 4.08 1.01 -1.26 -4.91 120.40 120.19 3hl7 s VAL 289 Ca 0.54 0.99 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 3hl7 s VAL 289 Cb 0.43 -3.82 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 3hl7 s VAL 289 CO -0.32 0.40 1.64 0.25 0.00 0.00 0.00 175.10 177.07 3hl7 h LEU 290 N 6.10 -0.32 -8.85 3.92 5.85 -1.92 -3.39 115.31 116.71 3hl7 h LEU 290 Ca -0.44 -0.02 -0.57 0.00 0.84 0.00 0.00 57.88 57.69 3hl7 h LEU 290 Cb 1.19 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 3hl7 h LEU 290 CO 0.72 -0.19 1.29 -0.62 -0.34 0.00 0.00 178.44 179.30 3hl7 s ASP 291 N -4.90 5.82 0.62 1.25 -1.08 -1.26 -4.86 116.67 112.27 3hl7 s ASP 291 Ca -0.15 1.26 0.39 0.00 -0.52 0.00 0.00 52.55 53.52 3hl7 s ASP 291 Cb 0.05 -2.53 2.05 0.00 -1.46 0.00 0.00 42.92 41.03 3hl7 s ASP 291 CO 0.64 -1.77 2.26 0.77 0.52 0.00 0.00 175.17 177.58 3hl7 h SER 292 N 13.14 0.00 0.58 -0.34 4.64 -1.99 0.15 113.55 129.73 3hl7 h SER 292 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3hl7 h SER 292 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hl7 h SER 292 CO 1.04 0.02 -0.06 0.44 -0.87 0.00 0.00 176.83 177.40 3hl7 h ASP 293 N 0.00 0.00 -0.10 4.97 3.32 -1.94 -3.05 116.42 119.62 3hl7 h ASP 293 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hl7 h ASP 293 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3hl7 h ASP 293 CO 0.00 0.06 0.00 0.29 -1.72 0.00 0.00 179.24 177.87 3hl7 n LYS 294 N -3.29 1.76 -2.61 3.56 4.76 0.51 -4.98 118.16 117.88 3hl7 n LYS 294 Ca -0.01 -1.73 -0.38 0.00 -2.87 0.00 0.00 58.31 53.32 3hl7 n LYS 294 Cb 0.24 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 3hl7 n LYS 294 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3hl7 s ARG 295 N -1.47 4.49 0.53 1.97 0.52 -1.16 -4.95 118.95 118.88 3hl7 s ARG 295 Ca 0.24 1.55 -0.22 0.00 -0.52 0.00 0.00 55.73 56.78 3hl7 s ARG 295 Cb 0.16 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 3hl7 s ARG 295 CO 0.24 0.15 1.26 -1.50 0.02 0.00 0.00 175.30 175.46 3hl7 s ILE 296 N -1.44 2.55 0.53 1.52 2.07 -0.58 -5.02 121.20 120.83 3hl7 s ILE 296 Ca 0.50 0.40 -0.01 0.00 -1.41 0.00 0.00 60.65 60.12 3hl7 s ILE 296 Cb -0.25 -3.19 0.02 0.00 0.13 0.00 0.00 42.46 39.17 3hl7 s ILE 296 CO 0.31 -0.02 0.78 0.42 -1.91 0.00 0.00 174.94 174.52 3hl7 s THR 297 N -1.44 3.35 0.19 4.00 -4.23 -1.26 -4.90 115.64 111.35 3hl7 s THR 297 Ca 0.70 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 60.67 3hl7 s THR 297 Cb -0.34 -3.28 0.12 0.00 1.34 0.00 0.00 72.50 70.34 3hl7 s THR 297 CO 0.40 -0.22 1.84 0.00 -0.54 0.00 0.00 174.62 176.09 3hl7 h ALA 298 N 0.09 0.86 -0.58 3.99 0.00 -1.94 -0.46 119.26 121.22 3hl7 h ALA 298 Ca -0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3hl7 h ALA 298 Cb 1.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hl7 h ALA 298 CO 0.57 0.33 0.32 0.00 0.00 0.00 0.00 179.25 180.46 3hl7 h ALA 299 N 1.21 0.74 -0.51 0.00 0.00 -1.94 -1.28 119.26 117.49 3hl7 h ALA 299 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hl7 h ALA 299 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3hl7 h ALA 299 CO -0.05 0.26 0.04 1.96 0.00 0.00 0.00 179.25 181.46 3hl7 h GLN 300 N 0.78 0.87 -0.87 0.00 4.20 -1.90 -3.06 115.11 115.13 3hl7 h GLN 300 Ca 0.20 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3hl7 h GLN 300 Cb 0.04 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3hl7 h GLN 300 CO -0.03 0.88 0.58 0.00 -0.67 0.00 0.00 178.83 179.59 3hl7 h ALA 301 N 0.96 1.38 -0.02 3.87 0.00 -0.72 -2.21 119.26 122.51 3hl7 h ALA 301 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hl7 h ALA 301 Cb 0.46 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hl7 h ALA 301 CO 0.02 0.57 -0.03 -0.07 0.00 0.00 0.00 179.25 179.75 3hl7 h LEU 302 N 1.18 0.02 -0.43 0.00 3.38 -1.14 -1.40 115.31 116.92 3hl7 h LEU 302 Ca 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3hl7 h LEU 302 Cb -0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hl7 h LEU 302 CO -0.07 0.05 -0.07 0.00 0.09 0.00 0.00 178.44 178.45 3hl7 n ALA 303 N -2.53 2.72 -1.77 1.53 0.00 -0.85 -4.75 120.51 114.87 3hl7 n ALA 303 Ca -0.03 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 3hl7 n ALA 303 Cb 0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 3hl7 n ALA 303 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hl7 s HIS 304 N -2.24 2.86 0.62 0.00 5.04 -0.53 -4.93 115.29 116.11 3hl7 s HIS 304 Ca 0.35 1.53 0.40 0.00 -1.54 0.00 0.00 55.06 55.80 3hl7 s HIS 304 Cb 0.21 -3.39 2.21 0.00 0.04 0.00 0.00 32.58 31.65 3hl7 s HIS 304 CO 0.42 -1.54 2.32 0.00 -2.34 0.00 0.00 174.74 173.60 3hl7 h ALA 305 N 2.00 1.15 -0.91 1.58 0.00 -1.90 -2.03 119.26 119.15 3hl7 h ALA 305 Ca -0.49 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.54 3hl7 h ALA 305 Cb 1.25 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3hl7 h ALA 305 CO 0.60 0.01 0.58 -0.92 0.00 0.00 0.00 179.25 179.52 3hl7 h TYR 306 N 0.00 0.90 -0.58 0.00 3.20 -1.92 -2.09 116.97 116.48 3hl7 h TYR 306 Ca -0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3hl7 h TYR 306 Cb 0.03 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3hl7 h TYR 306 CO 0.00 0.35 0.05 1.19 -1.64 0.00 0.00 178.16 178.11 3hl7 n PHE 307 N -4.57 2.07 -0.34 -3.82 3.01 -0.76 -4.63 117.46 108.42 3hl7 n PHE 307 Ca 0.17 -0.78 0.16 0.00 1.01 0.00 0.00 57.45 58.02 3hl7 n PHE 307 Cb 0.42 -0.53 0.36 0.00 -0.01 0.00 0.00 39.48 39.72 3hl7 n PHE 307 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hl7 h ALA 308 N 3.70 1.71 0.00 4.37 0.00 -1.49 0.15 119.26 127.70 3hl7 h ALA 308 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hl7 h ALA 308 Cb 1.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3hl7 h ALA 308 CO 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3hl7 n GLN 309 N -4.89 0.21 -0.05 0.00 10.64 -1.26 -3.95 117.38 118.09 3hl7 n GLN 309 Ca 0.26 0.24 -0.05 0.00 -1.83 0.00 0.00 57.00 55.62 3hl7 n GLN 309 Cb 0.70 -1.78 -0.07 0.00 -0.86 0.00 0.00 30.24 28.22 3hl7 n GLN 309 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3hl7 n TYR 310 N -2.16 0.00 -2.15 2.61 4.02 -0.04 -5.05 117.16 114.39 3hl7 n TYR 310 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 3hl7 n TYR 310 Cb 0.37 -0.47 -0.03 0.00 -0.02 0.00 0.00 39.34 39.18 3hl7 n TYR 310 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3hl7 s HIS 311 N -2.23 3.22 -0.23 -0.72 2.46 0.33 -5.02 115.29 113.10 3hl7 s HIS 311 Ca -0.05 0.97 -0.03 0.00 0.47 0.00 0.00 55.06 56.41 3hl7 s HIS 311 Cb 0.03 -3.69 0.11 0.00 -0.13 0.00 0.00 32.58 28.90 3hl7 s HIS 311 CO 0.39 -2.41 0.27 0.34 -2.47 0.00 0.00 174.74 170.87 3hl7 s ASP 312 N 0.98 1.17 0.35 9.88 -1.08 -1.26 -4.99 116.67 121.72 3hl7 s ASP 312 Ca 0.64 -0.23 0.26 0.00 -0.52 0.00 0.00 52.55 52.70 3hl7 s ASP 312 Cb -0.37 0.58 1.17 0.00 -1.46 0.00 0.00 42.92 42.84 3hl7 s ASP 312 CO 0.32 -0.33 1.79 -0.65 0.52 0.00 0.00 175.17 176.82 3hl7 h PRO 313 N 8.27 0.00 -0.01 4.34 0.11 -1.95 0.22 132.00 142.98 3hl7 h PRO 313 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3hl7 h PRO 313 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hl7 h PRO 313 CO 0.29 0.00 -0.03 -0.25 -0.21 0.00 0.00 178.00 177.81 3hl7 n ASP 314 N -2.45 0.53 -2.31 -2.05 8.00 -1.26 -3.95 116.55 113.06 3hl7 n ASP 314 Ca 0.01 -1.00 -0.07 0.00 0.71 0.00 0.00 54.79 54.44 3hl7 n ASP 314 Cb 0.20 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.32 3hl7 n ASP 314 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hl7 n ASP 315 N -0.68 2.57 -3.28 -2.24 4.64 0.06 -4.88 116.55 112.75 3hl7 n ASP 315 Ca 0.20 -2.67 -0.25 0.00 -1.38 0.00 0.00 54.79 50.68 3hl7 n ASP 315 Cb 0.22 -0.42 -0.08 0.00 -1.04 0.00 0.00 41.12 39.80 3hl7 n ASP 315 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3hl7 n GLU 316 N -0.55 0.63 -1.50 -0.67 1.02 -1.21 -4.89 120.64 113.47 3hl7 n GLU 316 Ca 0.19 -3.29 -0.31 0.00 -0.02 0.00 0.00 57.16 53.73 3hl7 n GLU 316 Cb 0.88 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.93 3hl7 n GLU 316 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hl7 s PRO 317 N -0.83 2.74 0.29 3.49 0.04 -1.26 -4.98 135.00 134.49 3hl7 s PRO 317 Ca 0.34 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.49 3hl7 s PRO 317 Cb 0.12 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 3hl7 s PRO 317 CO -0.14 -1.26 0.39 0.14 0.04 0.00 0.00 177.00 176.17 3hl7 s VAL 318 N -2.96 4.57 0.36 -0.36 -7.23 -1.26 -4.22 120.40 109.30 3hl7 s VAL 318 Ca 0.59 -1.05 -0.09 0.00 -1.81 0.00 0.00 61.98 59.62 3hl7 s VAL 318 Cb -0.15 -3.58 -0.06 0.00 0.56 0.00 0.00 36.38 33.14 3hl7 s VAL 318 CO 0.54 -0.25 0.70 0.00 -0.31 0.00 0.00 175.10 175.79 3hl7 s ALA 319 N -2.10 3.42 0.81 1.32 0.00 -1.26 -5.03 121.76 118.93 3hl7 s ALA 319 Ca 0.39 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 3hl7 s ALA 319 Cb -0.09 -2.59 0.08 0.00 0.00 0.00 0.00 23.12 20.52 3hl7 s ALA 319 CO 0.29 0.10 1.18 -0.51 0.00 0.00 0.00 175.76 176.82 3hl7 s ASP 320 N -3.07 3.66 0.47 0.00 1.01 -1.26 -4.71 116.67 112.76 3hl7 s ASP 320 Ca 0.49 2.28 -0.25 0.00 0.71 0.00 0.00 52.55 55.79 3hl7 s ASP 320 Cb -0.10 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 3hl7 s ASP 320 CO 0.30 -2.62 1.42 -0.81 0.21 0.00 0.00 175.17 173.67 3hl7 n PRO 321 N -3.38 2.16 -4.03 8.23 -0.04 -1.26 -4.70 135.00 131.99 3hl7 n PRO 321 Ca 0.13 0.77 -0.30 0.00 -0.04 0.00 0.00 63.50 64.06 3hl7 n PRO 321 Cb 0.51 -2.62 -0.16 0.00 -0.04 0.00 0.00 33.50 31.18 3hl7 n PRO 321 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hl7 s TYR 322 N -1.21 2.25 -0.56 0.54 5.04 -1.26 -5.09 117.35 117.06 3hl7 s TYR 322 Ca 0.63 -1.30 -0.28 0.00 -2.44 0.00 0.00 57.07 53.68 3hl7 s TYR 322 Cb -0.44 -1.63 0.03 0.00 0.35 0.00 0.00 41.96 40.27 3hl7 s TYR 322 CO 0.56 -0.69 1.14 0.34 -1.34 0.00 0.00 175.55 175.56 3hl7 s ASP 323 N 1.46 6.45 -0.12 4.32 2.15 -1.26 -4.86 116.67 124.80 3hl7 s ASP 323 Ca 0.04 0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.26 3hl7 s ASP 323 Cb -0.13 -2.53 0.70 0.00 -0.30 0.00 0.00 42.92 40.65 3hl7 s ASP 323 CO -0.11 -1.41 1.61 0.00 -0.17 0.00 0.00 175.17 175.09 3hl7 n GLN 324 N 8.21 3.75 0.27 4.34 6.02 -1.26 -4.58 117.38 134.14 3hl7 n GLN 324 Ca 0.08 -2.87 0.13 0.00 -0.01 0.00 0.00 57.00 54.32 3hl7 n GLN 324 Cb 0.49 -1.89 0.78 0.00 1.02 0.00 0.00 30.24 30.64 3hl7 n GLN 324 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hl7 h SER 325 N 3.80 0.00 -0.14 1.08 4.64 -2.04 -0.98 113.55 119.92 3hl7 h SER 325 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3hl7 h SER 325 Cb 1.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 3hl7 h SER 325 CO 0.24 0.07 0.14 2.19 -0.87 0.00 0.00 176.83 178.60 3hl7 h PHE 326 N 0.00 0.00 -0.03 4.77 -5.15 -1.97 -2.48 116.94 112.08 3hl7 h PHE 326 Ca -0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3hl7 h PHE 326 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.33 3hl7 h PHE 326 CO 0.00 0.00 0.02 0.93 -2.00 0.00 0.00 178.31 177.26 3hl7 h GLU 327 N 0.00 0.04 -0.00 6.09 4.39 -1.54 -1.00 114.58 122.55 3hl7 h GLU 327 Ca 0.07 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3hl7 h GLU 327 Cb 0.34 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3hl7 h GLU 327 CO -0.00 0.03 -0.08 -1.13 -1.16 0.00 0.00 179.01 176.67 3hl7 n SER 328 N -4.53 0.17 -4.85 1.42 3.41 -0.93 -4.92 113.62 103.39 3hl7 n SER 328 Ca -0.03 -0.05 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 3hl7 n SER 328 Cb 0.09 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 3hl7 n SER 328 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hl7 s ARG 329 N -2.73 3.89 -0.35 4.33 0.52 -0.38 -5.06 118.95 119.17 3hl7 s ARG 329 Ca 0.22 0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.78 3hl7 s ARG 329 Cb 0.20 -3.06 0.08 0.00 0.52 0.00 0.00 34.95 32.68 3hl7 s ARG 329 CO 0.51 0.59 0.09 -0.51 0.02 0.00 0.00 175.30 175.99 3hl7 s ASP 330 N -1.50 5.00 0.30 0.23 1.11 -1.26 -5.06 116.67 115.49 3hl7 s ASP 330 Ca 0.31 -1.72 0.09 0.00 0.18 0.00 0.00 52.55 51.41 3hl7 s ASP 330 Cb -0.15 -1.74 -0.06 0.00 1.07 0.00 0.00 42.92 42.04 3hl7 s ASP 330 CO 0.17 -0.39 -0.11 -0.76 1.18 0.00 0.00 175.17 175.26 3hl7 s LEU 331 N 1.15 2.62 0.60 1.23 1.02 -1.26 -5.14 118.68 118.89 3hl7 s LEU 331 Ca 0.03 -1.15 -0.14 0.00 0.02 0.00 0.00 54.13 52.88 3hl7 s LEU 331 Cb -0.21 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 45.08 3hl7 s LEU 331 CO -0.04 -0.20 1.03 -0.76 0.02 0.00 0.00 176.35 176.41 3hl7 s LEU 332 N -3.52 3.43 0.24 1.79 1.43 -1.26 -4.87 118.68 115.92 3hl7 s LEU 332 Ca 0.30 1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 55.02 3hl7 s LEU 332 Cb 0.01 -4.51 0.42 0.00 0.03 0.00 0.00 46.19 42.14 3hl7 s LEU 332 CO 0.14 -1.02 1.76 0.40 0.23 0.00 0.00 176.35 177.86 3hl7 h ILE 333 N 0.25 0.77 -0.47 -0.59 2.04 -1.93 -1.15 117.51 116.43 3hl7 h ILE 333 Ca -0.46 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3hl7 h ILE 333 Cb 1.20 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3hl7 h ILE 333 CO 0.59 0.10 0.21 0.44 0.00 0.00 0.00 178.15 179.49 3hl7 h ASP 334 N 0.57 0.60 -0.02 1.72 3.45 -1.98 0.18 116.42 120.95 3hl7 h ASP 334 Ca 0.40 -0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.80 3hl7 h ASP 334 Cb 0.51 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3hl7 h ASP 334 CO -0.33 0.53 -0.00 -0.33 -1.57 0.00 0.00 179.24 177.54 3hl7 h GLU 335 N 0.66 0.03 -0.95 3.56 5.08 -1.63 -0.70 114.58 120.65 3hl7 h GLU 335 Ca 0.16 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3hl7 h GLU 335 Cb 0.10 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3hl7 h GLU 335 CO -0.02 0.35 0.62 -1.49 -1.00 0.00 0.00 179.01 177.48 3hl7 h TRP 336 N -0.29 1.18 -0.48 4.33 -0.00 -0.89 -1.09 115.95 118.71 3hl7 h TRP 336 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 3hl7 h TRP 336 Cb 0.34 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 3hl7 h TRP 336 CO 0.04 0.73 0.22 -0.22 -0.00 0.00 0.00 178.44 179.20 3hl7 h LYS 337 N 1.26 0.70 -0.51 0.49 3.64 -0.59 -1.66 116.57 119.91 3hl7 h LYS 337 Ca 0.35 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 3hl7 h LYS 337 Cb -0.11 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3hl7 h LYS 337 CO -0.09 0.61 -0.04 1.03 -2.27 0.00 0.00 179.45 178.69 3hl7 h SER 338 N 0.64 0.92 -0.65 4.20 0.87 -0.81 -0.45 113.55 118.27 3hl7 h SER 338 Ca 0.16 -0.33 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3hl7 h SER 338 Cb 0.15 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3hl7 h SER 338 CO -0.02 1.02 0.40 -0.07 -0.53 0.00 0.00 176.83 177.63 3hl7 h LEU 339 N 0.79 0.64 -0.61 2.23 3.38 -1.11 -0.82 115.31 119.81 3hl7 h LEU 339 Ca 0.14 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3hl7 h LEU 339 Cb 0.58 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3hl7 h LEU 339 CO 0.03 0.44 0.14 0.74 0.09 0.00 0.00 178.44 179.89 3hl7 h THR 340 N 0.77 1.25 -0.52 0.22 2.02 -1.08 -1.81 112.91 113.76 3hl7 h THR 340 Ca 0.27 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3hl7 h THR 340 Cb 0.04 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3hl7 h THR 340 CO -0.12 0.35 0.29 0.22 0.37 0.00 0.00 175.52 176.63 3hl7 h TYR 341 N 0.90 0.72 -0.42 3.16 3.20 -0.64 -1.13 116.97 122.75 3hl7 h TYR 341 Ca 0.19 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3hl7 h TYR 341 Cb 0.37 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3hl7 h TYR 341 CO 0.03 0.52 0.04 -0.44 -1.64 0.00 0.00 178.16 176.66 3hl7 h ASP 342 N 0.70 0.63 0.07 -2.11 3.32 -1.03 -1.66 116.42 116.34 3hl7 h ASP 342 Ca 0.19 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3hl7 h ASP 342 Cb 0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3hl7 h ASP 342 CO -0.03 0.67 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.60 3hl7 h GLU 343 N 0.64 0.28 -0.12 3.56 4.39 -0.72 -1.15 114.58 121.45 3hl7 h GLU 343 Ca 0.14 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3hl7 h GLU 343 Cb 0.35 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3hl7 h GLU 343 CO 0.01 0.51 -0.05 0.28 -1.16 0.00 0.00 179.01 178.59 3hl7 h VAL 344 N 0.26 1.31 -0.35 3.13 2.07 -0.70 -3.02 116.25 118.94 3hl7 h VAL 344 Ca 0.04 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 3hl7 h VAL 344 Cb 0.56 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3hl7 h VAL 344 CO 0.04 0.31 -0.15 0.40 0.02 0.00 0.00 177.57 178.18 3hl7 h ILE 345 N -0.09 1.25 -0.00 4.57 1.08 -1.21 -2.86 117.51 120.26 3hl7 h ILE 345 Ca 0.03 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 3hl7 h ILE 345 Cb 0.51 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 3hl7 h ILE 345 CO 0.02 0.39 -0.05 -1.54 -0.69 0.00 0.00 178.15 176.27 3hl7 n SER 346 N -4.16 0.16 -4.68 1.72 3.41 -0.45 -4.91 113.62 104.71 3hl7 n SER 346 Ca 0.01 -0.20 -0.45 0.00 -0.26 0.00 0.00 58.87 57.97 3hl7 n SER 346 Cb 0.37 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3hl7 n SER 346 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hl7 n PHE 347 N -1.22 2.40 -4.03 7.33 7.35 -1.08 -4.99 117.46 123.21 3hl7 n PHE 347 Ca 0.13 0.24 -0.34 0.00 -0.76 0.00 0.00 57.45 56.73 3hl7 n PHE 347 Cb 0.27 -2.56 -0.15 0.00 0.35 0.00 0.00 39.48 37.38 3hl7 n PHE 347 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3hl7 s VAL 348 N 0.77 2.53 0.93 -2.13 1.01 -1.26 -5.09 120.40 117.16 3hl7 s VAL 348 Ca 0.76 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3hl7 s VAL 348 Cb -0.63 -2.19 0.15 0.00 0.00 0.00 0.00 36.38 33.71 3hl7 s VAL 348 CO 0.39 0.36 1.10 -2.16 0.00 0.00 0.00 175.10 174.78 3hl7 s PRO 349 N 1.31 0.97 1.01 2.72 0.04 -1.26 -5.01 135.00 134.77 3hl7 s PRO 349 Ca 0.02 1.09 -0.15 0.00 0.04 0.00 0.00 61.00 62.00 3hl7 s PRO 349 Cb -0.15 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.83 3hl7 s PRO 349 CO -0.08 -2.52 1.16 -2.14 0.04 0.00 0.00 177.00 173.46 3hl7 s PRO 350 N -4.77 0.35 0.00 0.56 0.02 -1.26 -5.16 135.00 124.74 3hl7 s PRO 350 Ca 0.65 0.09 0.12 0.00 0.02 0.00 0.00 61.00 61.88 3hl7 s PRO 350 Cb -0.20 -1.77 0.71 0.00 0.02 0.00 0.00 34.50 33.26 3hl7 s PRO 350 CO 0.58 -2.69 1.14 -0.35 -0.33 0.00 0.00 177.00 175.36