#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itv s ASP 2 N 0.00 6.71 0.52 1.67 3.68 -1.26 -4.01 116.67 123.98 1itv s ASP 2 Ca 0.00 0.79 0.26 0.00 2.13 0.00 0.00 52.55 55.73 1itv s ASP 2 Cb 0.00 -2.41 1.38 0.00 -1.45 0.00 0.00 42.92 40.44 1itv s ASP 2 CO 0.00 -0.56 1.97 0.00 0.13 0.00 0.00 175.17 176.71 1itv h ALA 3 N 7.95 2.54 0.00 3.66 0.00 -1.95 -0.05 119.26 131.41 1itv h ALA 3 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1itv h ALA 3 Cb 1.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1itv h ALA 3 CO 0.87 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1itv n ASN 5 N -1.83 2.17 -4.73 0.00 4.13 -0.03 -4.93 115.26 110.03 1itv n ASN 5 Ca 0.03 -1.58 -0.41 0.00 1.68 0.00 0.00 54.58 54.30 1itv n ASN 5 Cb 0.21 0.31 -0.04 0.00 -1.54 0.00 0.00 39.78 38.73 1itv n ASN 5 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1itv s VAL 6 N -2.34 4.36 -0.23 2.41 1.01 -0.93 -4.97 120.40 119.71 1itv s VAL 6 Ca 0.22 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 63.91 1itv s VAL 6 Cb 0.19 -4.21 -0.16 0.00 0.00 0.00 0.00 36.38 32.19 1itv s VAL 6 CO 0.49 0.26 0.02 0.59 0.00 0.00 0.00 175.10 176.46 1itv n ASN 7 N 2.97 1.89 -3.99 3.32 3.02 -1.26 -4.88 115.26 116.33 1itv n ASN 7 Ca 0.04 0.40 -0.31 0.00 -0.03 0.00 0.00 54.58 54.68 1itv n ASN 7 Cb 0.48 -0.92 -0.16 0.00 -0.61 0.00 0.00 39.78 38.58 1itv n ASN 7 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1itv s ILE 8 N -2.41 1.73 0.26 2.41 1.01 -1.26 -3.90 121.20 119.04 1itv s ILE 8 Ca -0.31 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 1itv s ILE 8 Cb 0.08 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.58 1itv s ILE 8 CO 0.55 0.02 0.94 -0.36 0.00 0.00 0.00 174.94 176.09 1itv s PHE 9 N 1.32 3.90 0.30 3.97 0.40 -1.26 -4.94 117.98 121.67 1itv s PHE 9 Ca -0.05 1.88 0.00 0.00 -0.60 0.00 0.00 56.93 58.16 1itv s PHE 9 Cb -0.18 -2.97 0.51 0.00 0.51 0.00 0.00 43.02 40.88 1itv s PHE 9 CO -0.07 0.37 1.92 -0.44 0.70 0.00 0.00 175.22 177.70 1itv h ASP 10 N 3.86 0.92 -4.34 1.36 3.32 -1.28 -3.45 116.42 116.81 1itv h ASP 10 Ca -0.46 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.64 1itv h ASP 10 Cb 1.20 -0.20 -0.22 0.00 0.22 0.00 0.00 39.33 40.33 1itv h ASP 10 CO 0.67 0.61 0.46 0.00 -1.72 0.00 0.00 179.24 179.26 1itv s ALA 11 N -5.92 -1.89 0.02 3.45 0.00 -1.16 -4.37 121.76 111.90 1itv s ALA 11 Ca -0.12 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1itv s ALA 11 Cb 0.20 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1itv s ALA 11 CO 0.80 -0.33 -0.09 0.42 0.00 0.00 0.00 175.76 176.56 1itv s ILE 12 N -1.19 0.68 -0.12 0.00 1.01 -1.26 -0.19 121.20 120.13 1itv s ILE 12 Ca -0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1itv s ILE 12 Cb -0.00 -0.63 0.10 0.00 0.01 0.00 0.00 42.46 41.94 1itv s ILE 12 CO 0.03 -0.02 0.84 0.00 0.00 0.00 0.00 174.94 175.80 1itv s ALA 13 N -0.63 -1.85 -0.16 9.38 0.00 -0.05 -4.57 121.76 123.87 1itv s ALA 13 Ca -0.01 1.50 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 1itv s ALA 13 Cb -0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1itv s ALA 13 CO 0.00 -0.33 0.66 -2.00 0.00 0.00 0.00 175.76 174.09 1itv s GLU 14 N -1.00 4.29 -0.28 0.00 2.12 -1.26 -0.06 118.70 122.51 1itv s GLU 14 Ca -0.06 0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.99 1itv s GLU 14 Cb -0.01 -3.53 0.08 0.00 0.26 0.00 0.00 34.13 30.93 1itv s GLU 14 CO 0.05 -0.14 0.03 0.42 -0.54 0.00 0.00 175.26 175.08 1itv s ILE 15 N 1.57 1.28 0.00 -3.70 1.01 -0.23 -4.27 121.20 116.86 1itv s ILE 15 Ca 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1itv s ILE 15 Cb -0.16 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1itv s ILE 15 CO 0.12 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1itv n GLY 16 N 4.71 1.55 2.15 6.18 0.00 -1.26 -2.79 105.19 115.73 1itv n GLY 16 Ca -0.05 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1itv n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1itv n ASN 17 N 4.38 5.44 -3.98 1.61 4.13 -1.26 -4.92 115.26 120.65 1itv n ASN 17 Ca 0.00 -3.51 -0.09 0.00 1.68 0.00 0.00 54.58 52.66 1itv n ASN 17 Cb 0.00 -0.89 -0.08 0.00 -1.54 0.00 0.00 39.78 37.27 1itv n ASN 17 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1itv s GLN 18 N -3.10 1.06 -0.13 3.52 -0.21 -1.12 -4.81 119.66 114.87 1itv s GLN 18 Ca 0.53 -1.19 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 1itv s GLN 18 Cb 0.43 0.34 -0.02 0.00 1.00 0.00 0.00 33.01 34.77 1itv s GLN 18 CO 0.05 -0.36 -0.11 -1.17 -2.12 0.00 0.00 175.29 171.58 1itv s LEU 19 N -2.97 2.86 -0.12 2.90 1.98 0.00 -1.07 118.68 122.26 1itv s LEU 19 Ca 0.16 -0.26 -0.01 0.00 -2.89 0.00 0.00 54.13 51.13 1itv s LEU 19 Cb 0.04 -1.65 -0.02 0.00 0.66 0.00 0.00 46.19 45.22 1itv s LEU 19 CO -0.01 0.19 -0.07 -0.31 -1.89 0.00 0.00 176.35 174.26 1itv s TYR 20 N 0.21 2.94 -0.08 5.38 2.02 0.91 -0.64 117.35 128.10 1itv s TYR 20 Ca -0.07 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1itv s TYR 20 Cb -0.15 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1itv s TYR 20 CO 0.04 0.02 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.31 1itv s LEU 21 N 0.03 2.18 -0.02 -1.29 2.01 -0.51 -0.87 118.68 120.21 1itv s LEU 21 Ca -0.01 -0.49 0.07 0.00 0.01 0.00 0.00 54.13 53.71 1itv s LEU 21 Cb -0.14 -1.42 -0.02 0.00 0.01 0.00 0.00 46.19 44.62 1itv s LEU 21 CO 0.03 0.22 -0.24 -0.36 1.01 0.00 0.00 176.35 177.02 1itv s PHE 22 N -0.01 2.40 -0.30 0.29 0.40 0.73 -1.00 117.98 120.50 1itv s PHE 22 Ca -0.08 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.76 1itv s PHE 22 Cb -0.15 -1.51 0.13 0.00 0.51 0.00 0.00 43.02 42.00 1itv s PHE 22 CO 0.05 0.03 0.72 0.21 0.70 0.00 0.00 175.22 176.93 1itv s LYS 23 N -0.73 0.54 -1.05 0.44 2.47 0.37 -0.83 119.74 120.95 1itv s LYS 23 Ca 0.11 1.29 -0.24 0.00 -1.56 0.00 0.00 55.97 55.56 1itv s LYS 23 Cb -0.10 0.69 0.03 0.00 -1.46 0.00 0.00 37.83 36.99 1itv s LYS 23 CO -0.00 -0.17 0.63 -0.25 0.16 0.00 0.00 175.35 175.71 1itv n ASP 24 N 5.18 -4.09 0.00 1.43 8.00 -1.26 -1.08 116.55 124.72 1itv n ASP 24 Ca -0.13 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1itv n ASP 24 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1itv n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1itv n GLY 25 N -1.93 0.40 3.26 0.44 0.00 -0.75 -5.01 105.19 101.60 1itv n GLY 25 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1itv n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itv s LYS 26 N -0.55 1.11 0.08 1.61 1.02 -0.24 -2.15 119.74 120.61 1itv s LYS 26 Ca 0.00 -1.50 -0.10 0.00 0.02 0.00 0.00 55.97 54.39 1itv s LYS 26 Cb 0.00 -0.60 0.01 0.00 -0.52 0.00 0.00 37.83 36.72 1itv s LYS 26 CO 0.00 0.03 0.23 1.52 -0.92 0.00 0.00 175.35 176.21 1itv s TYR 27 N -3.37 0.07 0.10 3.18 -0.85 -0.15 -0.48 117.35 115.87 1itv s TYR 27 Ca 0.19 -0.44 0.02 0.00 -0.52 0.00 0.00 57.07 56.33 1itv s TYR 27 Cb 0.03 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1itv s TYR 27 CO 0.02 -0.54 -0.07 -1.58 -1.52 0.00 0.00 175.55 171.86 1itv s TRP 28 N -3.57 0.93 0.16 -3.49 0.51 -0.17 -0.63 118.94 112.68 1itv s TRP 28 Ca 0.02 -0.86 0.10 0.00 -2.12 0.00 0.00 56.10 53.25 1itv s TRP 28 Cb 0.03 -0.53 -0.04 0.00 -0.81 0.00 0.00 33.47 32.12 1itv s TRP 28 CO -0.10 -0.11 -0.22 1.03 -0.51 0.00 0.00 176.95 177.04 1itv s ARG 29 N -3.63 1.35 -0.12 4.98 0.52 -0.40 -1.42 118.95 120.24 1itv s ARG 29 Ca 0.11 -1.39 -0.10 0.00 -0.52 0.00 0.00 55.73 53.83 1itv s ARG 29 Cb 0.04 -1.62 0.03 0.00 0.52 0.00 0.00 34.95 33.92 1itv s ARG 29 CO -0.04 0.36 0.30 0.12 0.02 0.00 0.00 175.30 176.07 1itv s PHE 30 N -1.57 -0.35 -0.05 -0.53 2.19 0.18 -0.16 117.98 117.69 1itv s PHE 30 Ca 0.15 0.85 0.05 0.00 0.33 0.00 0.00 56.93 58.31 1itv s PHE 30 Cb -0.08 0.12 -0.00 0.00 -1.31 0.00 0.00 43.02 41.74 1itv s PHE 30 CO 0.07 -0.18 -0.20 -1.12 1.83 0.00 0.00 175.22 175.62 1itv s SER 31 N 0.38 2.53 0.47 6.13 0.01 -1.26 -0.82 113.70 121.14 1itv s SER 31 Ca -0.02 -0.42 -0.24 0.00 1.31 0.00 0.00 55.95 56.58 1itv s SER 31 Cb -0.04 -0.75 -0.08 0.00 0.21 0.00 0.00 66.02 65.36 1itv s SER 31 CO -0.02 0.18 1.35 -0.62 0.41 0.00 0.00 173.24 174.54 1itv n GLU 32 N 3.13 1.99 0.00 12.44 -0.58 -1.26 -4.76 120.64 131.60 1itv n GLU 32 Ca -0.18 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1itv n GLU 32 Cb 0.53 -2.52 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 1itv n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1itv n GLY 33 N 0.72 3.88 3.76 0.62 0.00 -1.26 -4.98 105.19 107.93 1itv n GLY 33 Ca 0.07 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1itv n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1itv s ARG 34 N -2.63 4.29 0.00 1.61 1.81 -1.26 -1.92 118.95 120.84 1itv s ARG 34 Ca 0.00 2.29 0.00 0.00 -1.72 0.00 0.00 55.73 56.30 1itv s ARG 34 Cb 0.00 -3.07 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 1itv s ARG 34 CO 0.00 -0.32 0.00 0.41 -0.68 0.00 0.00 175.30 174.71 1itv n GLY 35 N 1.29 1.09 3.75 -3.53 0.00 -1.26 -4.96 105.19 101.58 1itv n GLY 35 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1itv n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1itv s SER 36 N -2.84 6.63 0.21 1.61 0.01 -0.81 -5.03 113.70 113.49 1itv s SER 36 Ca 0.00 2.71 0.02 0.00 1.31 0.00 0.00 55.95 59.99 1itv s SER 36 Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1itv s SER 36 CO 0.00 -0.70 0.04 -0.13 0.41 0.00 0.00 173.24 172.86 1itv s ARG 37 N -0.69 1.24 0.29 12.44 3.00 -1.26 -4.65 118.95 129.32 1itv s ARG 37 Ca 0.58 -1.64 -0.29 0.00 0.00 0.00 0.00 55.73 54.38 1itv s ARG 37 Cb -0.42 -0.27 -0.10 0.00 0.00 0.00 0.00 34.95 34.16 1itv s ARG 37 CO 0.46 -0.20 1.32 -1.25 0.00 0.00 0.00 175.30 175.63 1itv s PRO 38 N -3.97 4.36 -0.19 3.54 0.04 -1.26 -4.70 135.00 132.83 1itv s PRO 38 Ca 0.30 2.18 -0.09 0.00 0.04 0.00 0.00 61.00 63.43 1itv s PRO 38 Cb 0.07 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 1itv s PRO 38 CO 0.08 -0.22 0.12 -0.65 0.04 0.00 0.00 177.00 176.37 1itv s GLN 39 N -1.19 4.08 0.00 4.56 -0.21 0.77 -4.93 119.66 122.75 1itv s GLN 39 Ca 0.52 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1itv s GLN 39 Cb -0.39 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.24 1itv s GLN 39 CO 0.48 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 174.41 1itv n GLY 40 N 3.35 0.84 3.81 3.09 0.00 -1.26 -1.27 105.19 113.75 1itv n GLY 40 Ca -0.16 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 1itv n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1itv s PRO 41 N -1.85 3.46 0.32 1.61 0.04 -1.26 -5.01 135.00 132.31 1itv s PRO 41 Ca 0.00 1.14 0.10 0.00 0.04 0.00 0.00 61.00 62.28 1itv s PRO 41 Cb 0.00 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1itv s PRO 41 CO 0.00 -0.69 -0.11 -0.06 0.04 0.00 0.00 177.00 176.18 1itv s PHE 42 N -2.51 2.40 -0.23 0.56 0.40 0.19 -4.95 117.98 113.83 1itv s PHE 42 Ca 0.62 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 56.43 1itv s PHE 42 Cb -0.15 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.08 1itv s PHE 42 CO 0.36 0.62 0.14 -0.51 0.70 0.00 0.00 175.22 176.53 1itv s LEU 43 N -3.59 4.00 0.19 -0.37 2.01 -1.26 -0.97 118.68 118.68 1itv s LEU 43 Ca 0.32 0.07 -0.12 0.00 0.01 0.00 0.00 54.13 54.41 1itv s LEU 43 Cb -0.01 -2.07 0.22 0.00 0.01 0.00 0.00 46.19 44.35 1itv s LEU 43 CO 0.16 0.07 1.72 0.40 1.01 0.00 0.00 176.35 179.71 1itv h ILE 44 N 5.07 0.71 -0.43 -0.59 2.04 -1.73 -1.47 117.51 121.10 1itv h ILE 44 Ca -0.38 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 65.50 1itv h ILE 44 Cb 1.17 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1itv h ILE 44 CO 0.65 0.05 0.30 0.00 0.00 0.00 0.00 178.15 179.15 1itv h ALA 45 N 1.41 2.29 -0.31 1.87 0.00 -1.80 0.90 119.26 123.62 1itv h ALA 45 Ca 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1itv h ALA 45 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1itv h ALA 45 CO -0.34 -0.40 0.00 -0.44 0.00 0.00 0.00 179.25 178.07 1itv h ASP 46 N 0.09 0.44 0.00 0.00 5.19 -1.65 -2.82 116.42 117.66 1itv h ASP 46 Ca 0.20 -0.08 -0.30 0.00 -0.62 0.00 0.00 57.03 56.23 1itv h ASP 46 Cb 0.69 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.03 1itv h ASP 46 CO -0.02 0.50 -2.15 1.17 -3.12 0.00 0.00 179.24 175.62 1itv n LYS 47 N -4.30 0.52 -3.32 3.56 4.81 -0.26 -4.78 118.16 114.38 1itv n LYS 47 Ca 0.01 0.11 -0.26 0.00 -0.87 0.00 0.00 58.31 57.31 1itv n LYS 47 Cb 0.23 -1.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.80 1itv n LYS 47 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1itv n TRP 48 N -3.08 2.54 0.27 5.64 8.01 0.30 -4.97 117.44 126.15 1itv n TRP 48 Ca -0.36 -3.98 0.14 0.00 -1.31 0.00 0.00 57.50 51.99 1itv n TRP 48 Cb 0.89 -0.50 0.74 0.00 -2.01 0.00 0.00 31.31 30.43 1itv n TRP 48 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1itv h PRO 49 N 4.02 0.00 0.00 -0.99 0.13 -1.65 -2.06 132.00 131.45 1itv h PRO 49 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1itv h PRO 49 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1itv h PRO 49 CO 0.73 0.00 -0.27 0.00 -0.23 0.00 0.00 178.00 178.23 1itv n ALA 50 N -1.83 2.80 -1.81 -0.56 0.00 -1.26 -4.91 120.51 112.94 1itv n ALA 50 Ca -0.02 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 1itv n ALA 50 Cb 0.26 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1itv n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1itv s LEU 51 N -3.48 3.93 1.01 0.00 1.43 -0.78 -4.99 118.68 115.81 1itv s LEU 51 Ca 0.11 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 1itv s LEU 51 Cb 0.16 -4.53 0.21 0.00 0.03 0.00 0.00 46.19 42.06 1itv s LEU 51 CO 0.63 -0.47 1.25 -2.16 0.23 0.00 0.00 176.35 175.83 1itv s PRO 52 N -3.17 0.29 0.07 1.29 0.04 -1.26 -4.94 135.00 127.32 1itv s PRO 52 Ca 0.63 -0.23 -0.25 0.00 0.04 0.00 0.00 61.00 61.19 1itv s PRO 52 Cb -0.11 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.48 1itv s PRO 52 CO 0.15 -2.68 1.64 0.07 0.04 0.00 0.00 177.00 176.22 1itv h ARG 53 N -1.84 -0.11 -5.04 4.56 -0.00 -1.98 -3.42 114.38 106.54 1itv h ARG 53 Ca -0.45 0.01 -0.66 0.00 -0.00 0.00 0.00 59.98 58.88 1itv h ARG 53 Cb 1.26 0.03 -0.30 0.00 -0.00 0.00 0.00 29.97 30.96 1itv h ARG 53 CO 0.41 0.00 -0.77 0.15 -0.00 0.00 0.00 179.97 179.76 1itv s LYS 54 N -5.82 3.25 0.44 0.08 1.02 -1.26 -1.82 119.74 115.64 1itv s LYS 54 Ca -0.14 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 1itv s LYS 54 Cb 0.05 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1itv s LYS 54 CO 0.65 -0.17 0.70 -0.51 -0.92 0.00 0.00 175.35 175.10 1itv s LEU 55 N 1.34 3.72 -0.14 3.17 1.43 -1.26 -4.85 118.68 122.09 1itv s LEU 55 Ca 0.04 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 53.87 1itv s LEU 55 Cb -0.14 -3.52 -0.15 0.00 0.03 0.00 0.00 46.19 42.41 1itv s LEU 55 CO -0.06 -0.56 0.01 0.47 0.23 0.00 0.00 176.35 176.44 1itv n ASP 56 N -2.10 1.92 -3.62 2.29 10.43 0.67 -4.47 116.55 121.67 1itv n ASP 56 Ca -0.01 -0.02 -0.04 0.00 2.57 0.00 0.00 54.79 57.30 1itv n ASP 56 Cb 0.56 0.64 -0.02 0.00 1.84 0.00 0.00 41.12 44.14 1itv n ASP 56 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1itv s SER 57 N -4.79 -0.09 -0.02 -2.24 1.04 -1.19 -4.62 113.70 101.80 1itv s SER 57 Ca -0.09 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.20 1itv s SER 57 Cb 0.04 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1itv s SER 57 CO 0.51 -0.14 0.31 0.54 0.98 0.00 0.00 173.24 175.44 1itv s VAL 58 N -2.14 0.06 0.00 5.02 0.11 -1.26 -0.48 120.40 121.72 1itv s VAL 58 Ca 0.10 -0.46 -0.20 0.00 -2.93 0.00 0.00 61.98 58.48 1itv s VAL 58 Cb -0.01 -0.60 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1itv s VAL 58 CO -0.04 -0.25 0.45 0.72 -3.33 0.00 0.00 175.10 172.65 1itv s PHE 59 N -1.27 -0.34 -0.13 1.54 -0.12 -0.34 -4.62 117.98 112.70 1itv s PHE 59 Ca -0.13 0.47 -0.03 0.00 -0.05 0.00 0.00 56.93 57.19 1itv s PHE 59 Cb -0.05 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1itv s PHE 59 CO 0.04 -0.52 -0.04 -2.00 -0.05 0.00 0.00 175.22 172.65 1itv s GLU 60 N -1.77 3.45 -0.04 1.99 2.12 -1.26 -0.75 118.70 122.44 1itv s GLU 60 Ca -0.10 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 1itv s GLU 60 Cb -0.02 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.46 1itv s GLU 60 CO 0.03 0.37 1.53 -1.21 -0.54 0.00 0.00 175.26 175.44 1itv s GLU 61 N 0.02 4.22 0.47 4.30 2.02 -0.28 -4.89 118.70 124.56 1itv s GLU 61 Ca 0.01 2.07 0.28 0.00 0.02 0.00 0.00 54.97 57.35 1itv s GLU 61 Cb -0.13 -3.79 1.34 0.00 0.10 0.00 0.00 34.13 31.65 1itv s GLU 61 CO 0.03 -0.74 1.77 -1.35 0.02 0.00 0.00 175.26 174.99 1itv h PRO 62 N 8.73 0.18 0.00 0.39 0.11 -1.97 -1.32 132.00 138.12 1itv h PRO 62 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1itv h PRO 62 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1itv h PRO 62 CO 0.94 0.12 -0.23 1.28 -0.21 0.00 0.00 178.00 179.89 1itv n LEU 63 N -4.42 0.46 0.28 2.35 4.77 -1.26 -4.68 117.00 114.50 1itv n LEU 63 Ca 0.27 0.09 0.16 0.00 -0.03 0.00 0.00 56.01 56.49 1itv n LEU 63 Cb 1.11 -0.56 0.82 0.00 -2.33 0.00 0.00 43.42 42.47 1itv n LEU 63 CO 0.32 -0.45 1.02 0.77 -1.33 0.00 0.00 177.39 177.73 1itv h SER 64 N -0.24 0.00 -0.11 -1.43 4.64 -1.99 -3.46 113.55 110.96 1itv h SER 64 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1itv h SER 64 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1itv h SER 64 CO 0.00 0.07 -0.04 0.29 -0.87 0.00 0.00 176.83 176.27 1itv n LYS 65 N -3.41 -0.71 -2.04 4.77 4.76 -0.50 -4.99 118.16 116.05 1itv n LYS 65 Ca -0.02 0.37 -0.38 0.00 -2.87 0.00 0.00 58.31 55.41 1itv n LYS 65 Cb 0.22 -4.02 0.01 0.00 -1.84 0.00 0.00 35.03 29.39 1itv n LYS 65 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1itv s LYS 66 N -1.34 3.67 -0.22 1.97 1.02 -1.26 -4.66 119.74 118.92 1itv s LYS 66 Ca 0.00 2.07 -0.06 0.00 0.02 0.00 0.00 55.97 58.00 1itv s LYS 66 Cb 0.00 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 1itv s LYS 66 CO 0.00 -0.71 0.01 -0.51 -0.92 0.00 0.00 175.35 173.23 1itv s LEU 67 N -2.91 3.23 -0.23 3.17 1.43 0.23 -1.13 118.68 122.47 1itv s LEU 67 Ca 0.63 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1itv s LEU 67 Cb -0.36 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1itv s LEU 67 CO 0.44 0.01 0.13 -0.36 0.23 0.00 0.00 176.35 176.80 1itv s PHE 68 N 1.33 3.27 -0.10 0.29 0.08 0.07 -0.46 117.98 122.46 1itv s PHE 68 Ca 0.04 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.23 1itv s PHE 68 Cb -0.15 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.06 1itv s PHE 68 CO 0.01 0.02 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.90 1itv s PHE 69 N 1.03 2.65 -0.03 0.36 0.40 0.27 -1.19 117.98 121.47 1itv s PHE 69 Ca 0.06 -0.76 0.07 0.00 -0.60 0.00 0.00 56.93 55.71 1itv s PHE 69 Cb -0.14 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1itv s PHE 69 CO 0.04 -0.25 -0.25 -0.06 0.70 0.00 0.00 175.22 175.39 1itv s PHE 70 N 0.17 2.37 -0.23 0.36 0.40 0.37 -0.95 117.98 120.47 1itv s PHE 70 Ca -0.11 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 55.72 1itv s PHE 70 Cb -0.16 -1.52 0.13 0.00 0.51 0.00 0.00 43.02 41.97 1itv s PHE 70 CO 0.06 -0.05 0.40 0.45 0.70 0.00 0.00 175.22 176.78 1itv s SER 71 N -0.55 0.02 1.62 1.36 0.15 -0.59 -0.24 113.70 115.47 1itv s SER 71 Ca 0.08 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1itv s SER 71 Cb -0.11 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1itv s SER 71 CO -0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1itv n GLY 72 N 5.38 3.20 2.05 9.45 0.00 -1.26 -1.49 105.19 122.52 1itv n GLY 72 Ca -0.05 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1itv n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itv n ARG 73 N 13.85 2.35 -4.88 1.61 1.74 -1.20 -3.99 116.66 126.13 1itv n ARG 73 Ca 0.00 -2.68 -0.28 0.00 -0.77 0.00 0.00 57.85 54.12 1itv n ARG 73 Cb 0.00 -2.06 -0.15 0.00 -1.02 0.00 0.00 32.46 29.23 1itv n ARG 73 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1itv s GLN 74 N -2.89 1.68 -0.03 5.56 -0.21 -0.55 -2.81 119.66 120.41 1itv s GLN 74 Ca 0.50 -0.99 0.02 0.00 0.02 0.00 0.00 55.36 54.92 1itv s GLN 74 Cb 0.42 -1.78 0.01 0.00 1.00 0.00 0.00 33.01 32.66 1itv s GLN 74 CO 0.10 0.47 -0.09 0.54 -2.12 0.00 0.00 175.29 174.19 1itv s VAL 75 N -0.74 0.82 0.00 1.09 0.11 -0.33 -1.55 120.40 119.80 1itv s VAL 75 Ca 0.10 -0.37 0.08 0.00 -2.93 0.00 0.00 61.98 58.86 1itv s VAL 75 Cb -0.09 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1itv s VAL 75 CO 0.01 0.26 -0.25 0.26 -3.33 0.00 0.00 175.10 172.06 1itv s TRP 76 N 0.29 2.38 -0.23 1.54 0.51 -0.13 -1.89 118.94 121.41 1itv s TRP 76 Ca -0.05 -0.39 -0.00 0.00 -2.12 0.00 0.00 56.10 53.54 1itv s TRP 76 Cb -0.10 -1.47 0.06 0.00 -0.81 0.00 0.00 33.47 31.15 1itv s TRP 76 CO 0.01 0.05 -0.03 0.08 -0.51 0.00 0.00 176.95 176.56 1itv s VAL 77 N -0.71 1.27 -0.12 4.03 1.01 -0.41 -0.57 120.40 124.90 1itv s VAL 77 Ca 0.11 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1itv s VAL 77 Cb -0.10 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1itv s VAL 77 CO 0.01 -0.14 0.28 -0.31 0.00 0.00 0.00 175.10 174.94 1itv s TYR 78 N 1.51 3.53 -0.69 5.22 1.51 0.39 -1.12 117.35 127.71 1itv s TYR 78 Ca -0.04 0.65 0.05 0.00 -1.01 0.00 0.00 57.07 56.72 1itv s TYR 78 Cb -0.18 -2.26 0.17 0.00 -0.11 0.00 0.00 41.96 39.58 1itv s TYR 78 CO -0.07 0.40 0.50 0.25 -1.11 0.00 0.00 175.55 175.52 1itv n THR 79 N 2.97 1.49 0.00 -0.71 -2.24 0.00 -0.60 114.28 115.20 1itv n THR 79 Ca -0.14 -4.80 0.00 0.00 -2.27 0.00 0.00 64.05 56.85 1itv n THR 79 Cb 0.52 -2.15 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 1itv n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itv n GLY 80 N 1.94 1.66 0.03 3.38 0.00 -1.26 -3.16 105.19 107.78 1itv n GLY 80 Ca 0.21 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1itv n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itv n ALA 81 N 7.41 3.36 -2.66 4.61 0.00 -1.26 -4.88 120.51 127.08 1itv n ALA 81 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1itv n ALA 81 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1itv n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1itv s SER 82 N -4.04 7.09 -0.01 0.00 0.15 -1.19 -5.04 113.70 110.66 1itv s SER 82 Ca 0.02 1.36 -0.01 0.00 0.70 0.00 0.00 55.95 58.03 1itv s SER 82 Cb 0.14 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1itv s SER 82 CO 0.82 -0.64 0.07 0.54 1.20 0.00 0.00 173.24 175.23 1itv s VAL 83 N 3.09 4.70 -0.21 4.45 0.11 -1.26 -0.82 120.40 130.46 1itv s VAL 83 Ca 0.44 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1itv s VAL 83 Cb -0.15 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.60 1itv s VAL 83 CO 0.07 0.37 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.84 1itv s LEU 84 N -1.66 2.62 0.00 2.54 1.98 -0.27 -4.99 118.68 118.89 1itv s LEU 84 Ca 0.22 -0.96 0.00 0.00 -2.89 0.00 0.00 54.13 50.50 1itv s LEU 84 Cb -0.12 -1.45 0.00 0.00 0.66 0.00 0.00 46.19 45.28 1itv s LEU 84 CO 0.13 -0.10 0.00 0.61 -1.89 0.00 0.00 176.35 175.10 1itv n GLY 85 N 4.57 0.63 3.78 7.98 0.00 -1.26 -1.28 105.19 119.59 1itv n GLY 85 Ca -0.17 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.36 1itv n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1itv s PRO 86 N -0.90 3.40 0.17 1.61 0.04 -1.26 -5.02 135.00 133.04 1itv s PRO 86 Ca 0.00 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.71 1itv s PRO 86 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1itv s PRO 86 CO 0.00 -0.81 -0.15 1.03 0.04 0.00 0.00 177.00 177.12 1itv s ARG 87 N -3.26 1.21 0.56 4.56 0.52 -0.79 -4.93 118.95 116.82 1itv s ARG 87 Ca 0.72 -1.45 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 1itv s ARG 87 Cb -0.23 -1.06 -0.05 0.00 0.52 0.00 0.00 34.95 34.12 1itv s ARG 87 CO 0.27 0.19 1.03 1.03 0.02 0.00 0.00 175.30 177.83 1itv s ARG 88 N -3.22 3.58 0.55 3.54 0.52 -1.26 -1.19 118.95 121.48 1itv s ARG 88 Ca 0.17 1.10 0.30 0.00 -0.52 0.00 0.00 55.73 56.78 1itv s ARG 88 Cb -0.03 -2.08 1.63 0.00 0.52 0.00 0.00 34.95 35.00 1itv s ARG 88 CO 0.05 -0.59 2.14 -0.07 0.02 0.00 0.00 175.30 176.85 1itv h LEU 89 N 0.63 0.00 -0.44 2.53 3.38 -1.88 -1.28 115.31 118.25 1itv h LEU 89 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1itv h LEU 89 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1itv h LEU 89 CO 0.59 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 1itv n ASP 90 N -3.58 0.38 0.00 -0.43 5.68 -1.25 -1.15 116.55 116.20 1itv n ASP 90 Ca -0.02 0.60 0.12 0.00 -0.50 0.00 0.00 54.79 54.99 1itv n ASP 90 Cb 0.19 -0.68 0.57 0.00 -1.14 0.00 0.00 41.12 40.07 1itv n ASP 90 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1itv n LYS 91 N -1.92 0.21 -0.04 0.11 4.76 -0.48 -1.55 118.16 119.24 1itv n LYS 91 Ca 0.02 0.07 0.07 0.00 -2.87 0.00 0.00 58.31 55.60 1itv n LYS 91 Cb 0.19 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 31.96 1itv n LYS 91 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1itv n LEU 92 N -1.37 2.31 0.00 -0.35 4.32 -0.30 -4.93 117.00 116.68 1itv n LEU 92 Ca 0.09 -1.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.90 1itv n LEU 92 Cb 0.23 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1itv n LEU 92 CO 0.20 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1itv n GLY 93 N 0.76 0.69 3.77 -0.72 0.00 -0.60 -0.73 105.19 108.36 1itv n GLY 93 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1itv n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1itv s LEU 94 N 0.00 4.23 0.93 0.99 1.43 -1.06 -4.68 118.68 120.52 1itv s LEU 94 Ca 0.00 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1itv s LEU 94 Cb 0.00 -4.05 0.15 0.00 0.03 0.00 0.00 46.19 42.32 1itv s LEU 94 CO 0.00 -0.46 1.10 -0.83 0.23 0.00 0.00 176.35 176.38 1itv s GLY 95 N -1.35 1.64 0.56 -3.19 0.00 -1.26 -3.77 107.32 99.95 1itv s GLY 95 Ca 0.55 0.20 0.34 0.00 0.00 0.00 0.00 44.72 45.82 1itv s GLY 95 CO 0.32 0.69 2.06 0.00 0.00 0.00 0.00 173.10 176.17 1itv h ALA 96 N -1.80 1.04 -0.03 3.20 0.00 -1.98 -2.72 119.26 116.97 1itv h ALA 96 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1itv h ALA 96 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1itv h ALA 96 CO 0.49 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 1itv n ASP 97 N -3.19 0.92 -4.58 0.00 3.85 -1.26 -4.74 116.55 107.55 1itv n ASP 97 Ca -0.01 -1.37 -0.43 0.00 -0.71 0.00 0.00 54.79 52.28 1itv n ASP 97 Cb 0.26 -0.02 -0.05 0.00 -1.35 0.00 0.00 41.12 39.97 1itv n ASP 97 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1itv s VAL 98 N -1.97 4.61 -0.40 2.12 1.01 -1.03 -4.90 120.40 119.85 1itv s VAL 98 Ca 0.39 0.85 0.23 0.00 0.00 0.00 0.00 61.98 63.45 1itv s VAL 98 Cb 0.20 -4.32 0.16 0.00 0.00 0.00 0.00 36.38 32.42 1itv s VAL 98 CO 0.32 -0.62 1.35 0.00 0.00 0.00 0.00 175.10 176.15 1itv h ALA 99 N 8.73 0.74 -2.10 5.51 0.00 -1.89 -3.46 119.26 126.78 1itv h ALA 99 Ca -0.24 0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.87 1itv h ALA 99 Cb 1.08 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 1itv h ALA 99 CO 0.97 0.00 0.57 1.14 0.00 0.00 0.00 179.25 181.93 1itv s GLN 100 N -3.26 0.92 -0.18 0.00 -2.07 -1.26 -3.27 119.66 110.53 1itv s GLN 100 Ca 0.04 -0.48 -0.00 0.00 -1.82 0.00 0.00 55.36 53.10 1itv s GLN 100 Cb 0.08 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 1itv s GLN 100 CO 0.72 -0.42 -0.16 0.08 -1.32 0.00 0.00 175.29 174.20 1itv s VAL 101 N -3.03 2.44 -1.85 3.63 1.01 -1.26 -4.54 120.40 116.80 1itv s VAL 101 Ca 0.11 -0.82 0.19 0.00 0.00 0.00 0.00 61.98 61.46 1itv s VAL 101 Cb -0.00 -2.05 0.42 0.00 0.00 0.00 0.00 36.38 34.76 1itv s VAL 101 CO -0.01 0.51 1.35 0.35 0.00 0.00 0.00 175.10 177.30 1itv n THR 102 N 4.52 0.71 0.00 3.92 -2.24 0.11 -3.93 114.28 117.38 1itv n THR 102 Ca -0.20 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1itv n THR 102 Cb 0.51 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1itv n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itv n GLY 103 N 1.22 0.16 3.50 3.38 0.00 -1.22 -1.30 105.19 110.92 1itv n GLY 103 Ca 0.18 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 1itv n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itv s ALA 104 N -2.00 -1.71 -0.01 4.61 0.00 -0.98 -0.88 121.76 120.79 1itv s ALA 104 Ca 0.00 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1itv s ALA 104 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1itv s ALA 104 CO 0.00 -0.41 0.19 -0.51 0.00 0.00 0.00 175.76 175.04 1itv s LEU 105 N -1.36 1.32 0.21 0.00 1.43 -0.29 -4.03 118.68 115.96 1itv s LEU 105 Ca -0.10 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 1itv s LEU 105 Cb -0.00 0.86 -0.08 0.00 0.03 0.00 0.00 46.19 47.00 1itv s LEU 105 CO 0.07 -0.38 1.03 -0.13 0.23 0.00 0.00 176.35 177.17 1itv s ARG 106 N -1.31 4.70 0.00 1.70 0.52 -1.26 0.10 118.95 123.40 1itv s ARG 106 Ca -0.14 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 1itv s ARG 106 Cb -0.07 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.13 1itv s ARG 106 CO 0.02 0.26 0.00 0.45 0.02 0.00 0.00 175.30 176.05 1itv n SER 107 N 1.93 0.00 -3.26 0.23 2.88 -0.29 -4.83 113.62 110.29 1itv n SER 107 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1itv n SER 107 Cb 0.47 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.21 1itv n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1itv n GLY 108 N 5.00 -3.83 3.68 0.46 0.00 -1.26 -4.70 105.19 104.54 1itv n GLY 108 Ca 0.00 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.26 1itv n GLY 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1itv n ARG 109 N -5.68 2.54 -1.95 1.61 0.63 -1.26 -1.40 116.66 111.15 1itv n ARG 109 Ca 0.14 0.93 -0.10 0.00 -0.92 0.00 0.00 57.85 57.89 1itv n ARG 109 Cb 0.59 -2.80 -0.02 0.00 0.45 0.00 0.00 32.46 30.69 1itv n ARG 109 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1itv n GLY 110 N 4.23 0.28 3.19 5.14 0.00 -1.26 -5.03 105.19 111.74 1itv n GLY 110 Ca 0.20 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1itv n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itv s LYS 111 N -4.05 0.90 0.18 1.61 -0.14 -0.50 -2.73 119.74 115.01 1itv s LYS 111 Ca 0.00 -1.23 -0.00 0.00 -1.36 0.00 0.00 55.97 53.38 1itv s LYS 111 Cb 0.00 -0.55 -0.04 0.00 -1.68 0.00 0.00 37.83 35.56 1itv s LYS 111 CO 0.00 0.08 0.07 -1.64 -0.76 0.00 0.00 175.35 173.10 1itv s MET 112 N -3.04 1.11 -0.18 1.68 -1.94 -0.12 -1.13 119.30 115.67 1itv s MET 112 Ca 0.08 -1.56 0.01 0.00 -1.71 0.00 0.00 55.69 52.51 1itv s MET 112 Cb -0.01 0.08 0.03 0.00 2.01 0.00 0.00 34.83 36.94 1itv s MET 112 CO -0.00 -0.28 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.09 1itv s LEU 113 N -3.14 2.04 -0.19 -0.03 1.02 0.28 -0.65 118.68 118.02 1itv s LEU 113 Ca 0.30 -0.71 -0.09 0.00 0.02 0.00 0.00 54.13 53.66 1itv s LEU 113 Cb 0.07 -1.24 -0.05 0.00 0.02 0.00 0.00 46.19 44.99 1itv s LEU 113 CO 0.07 -0.09 0.10 -0.76 0.02 0.00 0.00 176.35 175.68 1itv s LEU 114 N 1.42 4.03 0.10 1.79 1.43 -0.61 -1.14 118.68 125.70 1itv s LEU 114 Ca 0.02 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1itv s LEU 114 Cb -0.15 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1itv s LEU 114 CO -0.10 0.19 0.07 -0.36 0.23 0.00 0.00 176.35 176.38 1itv s PHE 115 N 0.30 3.12 -0.44 0.29 0.40 -0.06 -1.27 117.98 120.32 1itv s PHE 115 Ca 0.06 0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1itv s PHE 115 Cb -0.12 -1.57 0.17 0.00 0.51 0.00 0.00 43.02 42.02 1itv s PHE 115 CO -0.01 0.51 0.52 0.45 0.70 0.00 0.00 175.22 177.40 1itv s SER 116 N -2.53 -0.03 1.66 1.36 0.15 -0.43 0.09 113.70 113.97 1itv s SER 116 Ca 0.29 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 55.03 1itv s SER 116 Cb -0.12 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1itv s SER 116 CO 0.21 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1itv n GLY 117 N 3.46 3.20 0.00 9.45 0.00 -1.26 -2.35 105.19 117.68 1itv n GLY 117 Ca 0.18 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1itv n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itv n ARG 118 N 13.32 0.03 -4.14 1.61 1.74 -1.26 -4.85 116.66 123.11 1itv n ARG 118 Ca 0.00 0.06 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 1itv n ARG 118 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1itv n ARG 118 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1itv s ARG 119 N -2.97 2.80 0.07 5.56 0.52 -0.99 -0.57 118.95 123.37 1itv s ARG 119 Ca 0.13 -1.07 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 1itv s ARG 119 Cb 0.17 -2.51 0.04 0.00 0.52 0.00 0.00 34.95 33.16 1itv s ARG 119 CO 0.47 0.42 0.42 -0.48 0.02 0.00 0.00 175.30 176.14 1itv s LEU 120 N -3.60 0.36 0.12 2.53 0.05 -0.43 -1.31 118.68 116.40 1itv s LEU 120 Ca 0.32 -0.10 0.02 0.00 0.05 0.00 0.00 54.13 54.42 1itv s LEU 120 Cb -0.08 1.81 -0.04 0.00 -2.05 0.00 0.00 46.19 45.82 1itv s LEU 120 CO 0.23 -0.74 -0.04 0.26 -0.55 0.00 0.00 176.35 175.52 1itv s TRP 121 N -2.94 0.98 0.01 3.48 0.51 -0.40 -0.36 118.94 120.23 1itv s TRP 121 Ca -0.02 -0.97 -0.15 0.00 -2.12 0.00 0.00 56.10 52.83 1itv s TRP 121 Cb 0.00 -0.57 -0.06 0.00 -0.81 0.00 0.00 33.47 32.04 1itv s TRP 121 CO -0.06 -0.20 0.43 0.50 -0.51 0.00 0.00 176.95 177.12 1itv s ARG 122 N -3.88 3.96 -0.15 4.98 3.52 -1.25 -1.57 118.95 124.57 1itv s ARG 122 Ca 0.16 0.46 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 1itv s ARG 122 Cb 0.06 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1itv s ARG 122 CO -0.02 0.68 -0.15 0.12 -0.81 0.00 0.00 175.30 175.12 1itv s PHE 123 N -1.09 2.24 -0.32 5.12 5.36 0.18 -0.28 117.98 129.19 1itv s PHE 123 Ca 0.25 -1.24 -0.25 0.00 -0.96 0.00 0.00 56.93 54.73 1itv s PHE 123 Cb -0.17 -1.62 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 1itv s PHE 123 CO 0.14 -0.66 0.87 0.34 -1.46 0.00 0.00 175.22 174.45 1itv s ASP 124 N 1.36 6.72 0.23 6.13 2.15 -0.52 -0.95 116.67 131.79 1itv s ASP 124 Ca 0.03 0.74 -0.05 0.00 0.43 0.00 0.00 52.55 53.69 1itv s ASP 124 Cb -0.13 -2.44 0.22 0.00 -0.30 0.00 0.00 42.92 40.26 1itv s ASP 124 CO -0.09 -0.70 1.74 1.62 -0.17 0.00 0.00 175.17 177.57 1itv h VAL 125 N 5.65 1.25 -0.22 1.11 3.04 -1.82 0.67 116.25 125.93 1itv h VAL 125 Ca -0.23 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.49 1itv h VAL 125 Cb 1.09 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 1itv h VAL 125 CO 0.93 0.36 0.13 0.50 -1.01 0.00 0.00 177.57 178.48 1itv h LYS 126 N 0.94 0.29 -0.00 4.17 3.64 -1.93 -2.92 116.57 120.77 1itv h LYS 126 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1itv h LYS 126 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1itv h LYS 126 CO 0.01 0.24 -0.44 0.00 -2.27 0.00 0.00 179.45 176.99 1itv n ALA 127 N -2.17 3.40 -3.80 5.00 0.00 -1.20 -4.94 120.51 116.79 1itv n ALA 127 Ca -0.03 -0.32 -0.28 0.00 0.00 0.00 0.00 53.44 52.81 1itv n ALA 127 Cb 0.05 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.38 1itv n ALA 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1itv n GLN 128 N -1.50 -6.41 -4.01 0.00 1.13 0.21 -4.97 117.38 101.83 1itv n GLN 128 Ca 0.06 0.68 -0.13 0.00 -1.94 0.00 0.00 57.00 55.67 1itv n GLN 128 Cb 0.34 -5.63 -0.13 0.00 0.11 0.00 0.00 30.24 24.92 1itv n GLN 128 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1itv s MET 129 N -6.49 0.28 0.32 -1.09 -1.94 -1.11 -4.59 119.30 104.68 1itv s MET 129 Ca 0.62 -0.31 -0.29 0.00 -1.71 0.00 0.00 55.69 54.00 1itv s MET 129 Cb -0.30 -0.15 -0.10 0.00 2.01 0.00 0.00 34.83 36.29 1itv s MET 129 CO 0.79 0.03 1.28 0.08 -0.01 0.00 0.00 175.02 177.19 1itv s VAL 130 N -0.57 2.83 0.46 -6.03 1.01 0.09 -1.44 120.40 116.74 1itv s VAL 130 Ca -0.04 0.83 -0.23 0.00 0.00 0.00 0.00 61.98 62.54 1itv s VAL 130 Cb -0.04 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1itv s VAL 130 CO -0.00 0.20 1.15 -1.81 0.00 0.00 0.00 175.10 174.63 1itv s ASP 131 N -0.53 6.21 0.00 3.32 1.01 0.61 -4.87 116.67 122.42 1itv s ASP 131 Ca 0.48 2.25 0.00 0.00 0.71 0.00 0.00 52.55 56.00 1itv s ASP 131 Cb -0.39 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 40.95 1itv s ASP 131 CO 0.51 -0.88 0.90 -0.81 0.21 0.00 0.00 175.17 175.10 1itv n PRO 132 N -0.50 0.00 -2.72 8.23 -0.04 -1.26 -3.82 135.00 134.88 1itv n PRO 132 Ca 0.07 0.56 -0.43 0.00 -0.04 0.00 0.00 63.50 63.66 1itv n PRO 132 Cb 0.49 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1itv n PRO 132 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1itv n ARG 133 N -1.99 3.72 0.00 0.54 1.74 -1.26 -4.49 116.66 114.92 1itv n ARG 133 Ca 0.00 -3.90 0.00 0.00 -0.77 0.00 0.00 57.85 53.18 1itv n ARG 133 Cb 0.00 -2.84 0.00 0.00 -1.02 0.00 0.00 32.46 28.60 1itv n ARG 133 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1itv n SER 134 N 3.71 0.14 -4.68 0.55 3.41 -1.25 -5.02 113.62 110.47 1itv n SER 134 Ca 0.35 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.50 1itv n SER 134 Cb 0.38 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1itv n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itv s ALA 135 N -0.03 3.67 0.06 7.33 0.00 -1.26 -3.78 121.76 127.74 1itv s ALA 135 Ca 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.12 1itv s ALA 135 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1itv s ALA 135 CO 0.00 -1.17 -0.04 -1.12 0.00 0.00 0.00 175.76 173.44 1itv s SER 136 N 2.63 0.58 -0.24 0.00 0.01 0.52 -4.98 113.70 112.22 1itv s SER 136 Ca 0.74 -0.97 -0.19 0.00 1.31 0.00 0.00 55.95 56.84 1itv s SER 136 Cb -0.39 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1itv s SER 136 CO 0.32 -0.56 0.57 -1.83 0.41 0.00 0.00 173.24 172.15 1itv s GLU 137 N -3.77 4.13 0.21 12.44 -1.05 -1.26 -1.32 118.70 128.08 1itv s GLU 137 Ca 0.06 0.46 -0.12 0.00 -0.15 0.00 0.00 54.97 55.22 1itv s GLU 137 Cb 0.07 -3.62 0.27 0.00 -0.44 0.00 0.00 34.13 30.40 1itv s GLU 137 CO -0.09 -0.32 1.64 0.28 0.95 0.00 0.00 175.26 177.72 1itv h VAL 138 N 5.32 0.41 -1.02 1.83 2.07 -1.15 -2.37 116.25 121.35 1itv h VAL 138 Ca -0.29 -0.02 0.26 0.00 0.82 0.00 0.00 66.70 67.47 1itv h VAL 138 Cb 1.14 0.36 -0.12 0.00 -1.52 0.00 0.00 31.29 31.15 1itv h VAL 138 CO 0.75 0.01 0.61 -0.78 0.02 0.00 0.00 177.57 178.17 1itv h ASP 139 N 0.04 0.62 0.30 0.57 3.58 -1.81 0.46 116.42 120.17 1itv h ASP 139 Ca 0.32 0.14 -0.21 0.00 0.42 0.00 0.00 57.03 57.70 1itv h ASP 139 Cb 0.50 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 1itv h ASP 139 CO -0.61 0.06 -0.84 0.08 -2.88 0.00 0.00 179.24 175.06 1itv h ARG 140 N 0.51 0.41 0.00 0.28 0.11 -1.83 -2.81 114.38 111.06 1itv h ARG 140 Ca 0.66 -0.39 -0.22 0.00 0.10 0.00 0.00 59.98 60.12 1itv h ARG 140 Cb 1.35 0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.50 1itv h ARG 140 CO -0.47 1.05 -1.11 1.98 0.10 0.00 0.00 179.97 181.52 1itv h MET 141 N 0.26 0.01 -2.15 0.08 4.05 -1.09 -3.39 114.93 112.69 1itv h MET 141 Ca -0.06 -0.01 -0.58 0.00 -0.28 0.00 0.00 59.70 58.77 1itv h MET 141 Cb 1.45 0.00 -0.40 0.00 -0.80 0.00 0.00 31.60 31.85 1itv h MET 141 CO 0.15 0.93 -0.87 1.19 0.23 0.00 0.00 176.91 178.54 1itv n PHE 142 N -3.31 1.35 -1.91 1.39 3.01 0.15 -4.21 117.46 113.92 1itv n PHE 142 Ca -0.03 -3.82 -0.41 0.00 1.01 0.00 0.00 57.45 54.21 1itv n PHE 142 Cb 0.96 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 40.01 1itv n PHE 142 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1itv s PRO 143 N -1.63 4.20 0.00 -1.08 0.04 -1.06 -2.80 135.00 132.66 1itv s PRO 143 Ca 0.36 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1itv s PRO 143 Cb 0.14 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1itv s PRO 143 CO -0.08 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1itv n GLY 144 N 1.00 3.07 3.76 0.56 0.00 -1.26 -4.18 105.19 108.14 1itv n GLY 144 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1itv n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itv s VAL 145 N -2.82 3.96 0.36 1.61 1.01 -1.12 -4.98 120.40 118.43 1itv s VAL 145 Ca 0.00 1.81 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 1itv s VAL 145 Cb 0.00 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 1itv s VAL 145 CO 0.00 0.31 1.35 -2.16 0.00 0.00 0.00 175.10 174.60 1itv s PRO 146 N -1.65 4.19 0.58 2.72 0.04 -1.26 -4.90 135.00 134.72 1itv s PRO 146 Ca 0.46 2.30 0.36 0.00 0.04 0.00 0.00 61.00 64.16 1itv s PRO 146 Cb -0.24 -2.96 1.60 0.00 0.04 0.00 0.00 34.50 32.93 1itv s PRO 146 CO 0.31 -0.36 2.07 -0.07 0.04 0.00 0.00 177.00 178.99 1itv h LEU 147 N 3.10 0.00 -3.82 -3.56 -0.00 -1.99 -3.04 115.31 106.01 1itv h LEU 147 Ca -0.50 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 56.89 1itv h LEU 147 Cb 1.23 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 41.62 1itv h LEU 147 CO 0.64 0.00 0.37 -0.90 -0.00 0.00 0.00 178.44 178.55 1itv n ASP 148 N -3.09 4.86 -4.74 -0.43 5.75 -1.26 -4.59 116.55 113.06 1itv n ASP 148 Ca -0.00 -3.73 -0.42 0.00 -0.01 0.00 0.00 54.79 50.63 1itv n ASP 148 Cb 0.25 -0.78 -0.03 0.00 -1.03 0.00 0.00 41.12 39.54 1itv n ASP 148 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1itv s THR 149 N -3.95 2.63 -0.81 2.12 -4.23 -1.15 -4.86 115.64 105.39 1itv s THR 149 Ca 0.56 0.50 0.22 0.00 -1.18 0.00 0.00 61.69 61.79 1itv s THR 149 Cb 0.46 -3.32 -0.19 0.00 1.34 0.00 0.00 72.50 70.79 1itv s THR 149 CO 0.03 0.06 0.94 0.00 -0.54 0.00 0.00 174.62 175.12 1itv n HIS 150 N 2.92 0.05 -3.65 3.99 1.44 -0.17 -4.73 115.22 115.07 1itv n HIS 150 Ca 0.09 0.01 -0.09 0.00 -2.01 0.00 0.00 57.72 55.72 1itv n HIS 150 Cb 0.40 -0.17 -0.07 0.00 0.12 0.00 0.00 29.99 30.26 1itv n HIS 150 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1itv s ASP 151 N -3.36 -0.83 -0.12 4.39 3.68 -1.22 -4.86 116.67 114.35 1itv s ASP 151 Ca 0.06 1.41 0.01 0.00 2.13 0.00 0.00 52.55 56.16 1itv s ASP 151 Cb 0.16 1.33 0.02 0.00 -1.45 0.00 0.00 42.92 42.97 1itv s ASP 151 CO 0.84 -0.23 -0.14 -0.69 0.13 0.00 0.00 175.17 175.08 1itv s VAL 152 N 1.22 1.43 0.05 1.11 1.01 -0.42 -0.41 120.40 124.39 1itv s VAL 152 Ca -0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1itv s VAL 152 Cb -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1itv s VAL 152 CO -0.13 0.43 0.06 0.72 0.00 0.00 0.00 175.10 176.19 1itv s PHE 153 N 1.22 0.30 -0.13 5.22 -0.71 -0.70 -2.32 117.98 120.85 1itv s PHE 153 Ca -0.02 -0.71 -0.05 0.00 -1.04 0.00 0.00 56.93 55.11 1itv s PHE 153 Cb -0.14 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 1itv s PHE 153 CO -0.05 -0.39 0.06 -1.14 -1.34 0.00 0.00 175.22 172.36 1itv s GLN 154 N -3.22 3.44 -0.14 1.99 0.74 -1.26 0.01 119.66 121.23 1itv s GLN 154 Ca 0.00 -0.30 -0.06 0.00 0.05 0.00 0.00 55.36 55.06 1itv s GLN 154 Cb 0.03 -3.05 0.06 0.00 1.10 0.00 0.00 33.01 31.14 1itv s GLN 154 CO -0.07 0.59 0.30 0.12 -0.55 0.00 0.00 175.29 175.68 1itv s PHE 155 N -0.54 -0.46 -1.17 1.67 5.36 0.54 -4.19 117.98 119.19 1itv s PHE 155 Ca 0.11 1.02 -0.17 0.00 -0.96 0.00 0.00 56.93 56.93 1itv s PHE 155 Cb -0.12 0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 1itv s PHE 155 CO 0.02 -0.32 0.77 0.54 -1.46 0.00 0.00 175.22 174.76 1itv n ARG 156 N 4.73 -1.65 -1.48 10.12 1.74 -1.26 -1.71 116.66 127.15 1itv n ARG 156 Ca -0.17 0.48 -0.17 0.00 -0.77 0.00 0.00 57.85 57.23 1itv n ARG 156 Cb 0.52 -4.30 -0.07 0.00 -1.02 0.00 0.00 32.46 27.58 1itv n ARG 156 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1itv n GLU 157 N -4.16 -1.40 -4.14 5.56 4.71 -1.26 -4.96 120.64 115.00 1itv n GLU 157 Ca -0.12 1.00 -0.16 0.00 -0.01 0.00 0.00 57.16 57.87 1itv n GLU 157 Cb 0.61 -5.32 -0.12 0.00 -1.01 0.00 0.00 31.44 25.60 1itv n GLU 157 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1itv s LYS 158 N -3.41 0.73 0.00 3.49 1.02 -0.69 -5.00 119.74 115.88 1itv s LYS 158 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 54.94 1itv s LYS 158 Cb 0.00 -0.59 -0.05 0.00 -0.52 0.00 0.00 37.83 36.67 1itv s LYS 158 CO 0.00 0.12 0.36 0.00 -0.92 0.00 0.00 175.35 174.90 1itv s ALA 159 N -1.54 3.74 -0.12 5.17 0.00 -1.01 -0.34 121.76 127.66 1itv s ALA 159 Ca -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1itv s ALA 159 Cb -0.09 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.78 1itv s ALA 159 CO 0.01 0.54 -0.13 0.71 0.00 0.00 0.00 175.76 176.89 1itv s TYR 160 N -1.17 1.91 -0.28 0.00 1.51 0.10 -0.26 117.35 119.16 1itv s TYR 160 Ca 0.25 -0.97 -0.08 0.00 -1.01 0.00 0.00 57.07 55.26 1itv s TYR 160 Cb -0.15 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1itv s TYR 160 CO 0.13 -0.54 0.10 -0.06 -1.11 0.00 0.00 175.55 174.07 1itv s PHE 161 N 1.31 3.13 -0.04 2.71 0.40 -0.34 -1.73 117.98 123.43 1itv s PHE 161 Ca -0.00 -0.67 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 1itv s PHE 161 Cb -0.14 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.06 1itv s PHE 161 CO -0.06 -0.47 0.32 0.00 0.70 0.00 0.00 175.22 175.71 1itv s GLN 163 N -1.10 0.43 5.61 0.00 -0.44 -0.83 -1.00 119.66 122.32 1itv s GLN 163 Ca 0.21 0.89 0.00 0.00 -2.50 0.00 0.00 55.36 53.96 1itv s GLN 163 Cb -0.15 0.05 0.00 0.00 -1.64 0.00 0.00 33.01 31.27 1itv s GLN 163 CO 0.10 -0.17 0.00 -3.47 0.50 0.00 0.00 175.29 172.26 1itv n ASP 164 N 4.41 0.00 -0.92 6.67 2.03 -1.26 -1.60 116.55 125.88 1itv n ASP 164 Ca -0.21 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.19 1itv n ASP 164 Cb 0.55 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.20 1itv n ASP 164 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1itv n ARG 165 N 14.00 2.17 -4.04 -0.67 1.85 -1.25 -4.58 116.66 124.13 1itv n ARG 165 Ca 0.00 -1.80 -0.26 0.00 -1.00 0.00 0.00 57.85 54.78 1itv n ARG 165 Cb 0.00 -1.42 -0.03 0.00 -1.05 0.00 0.00 32.46 29.96 1itv n ARG 165 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1itv s PHE 166 N -1.42 1.97 0.03 2.89 0.40 -0.62 -2.43 117.98 118.79 1itv s PHE 166 Ca 0.35 -0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1itv s PHE 166 Cb 0.19 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 1itv s PHE 166 CO 0.25 -0.19 -0.02 1.52 0.70 0.00 0.00 175.22 177.48 1itv s TYR 167 N -2.72 0.31 -0.28 0.36 -0.85 0.25 -1.97 117.35 112.45 1itv s TYR 167 Ca 0.32 -0.64 0.03 0.00 -0.52 0.00 0.00 57.07 56.27 1itv s TYR 167 Cb -0.00 -0.23 0.07 0.00 0.38 0.00 0.00 41.96 42.18 1itv s TYR 167 CO 0.19 -0.24 -0.07 -1.58 -1.52 0.00 0.00 175.55 172.33 1itv s TRP 168 N -2.04 3.33 0.15 -3.49 0.51 0.73 -1.86 118.94 116.27 1itv s TRP 168 Ca -0.11 -2.44 -0.28 0.00 -2.12 0.00 0.00 56.10 51.15 1itv s TRP 168 Cb -0.06 -2.12 -0.07 0.00 -0.81 0.00 0.00 33.47 30.41 1itv s TRP 168 CO -0.03 -0.89 0.88 0.50 -0.51 0.00 0.00 176.95 176.90 1itv s ARG 169 N 1.07 4.68 -0.04 4.98 3.52 -0.14 -1.20 118.95 131.82 1itv s ARG 169 Ca -0.05 1.33 0.05 0.00 -0.13 0.00 0.00 55.73 56.93 1itv s ARG 169 Cb -0.20 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1itv s ARG 169 CO -0.06 0.40 -0.20 0.08 -0.81 0.00 0.00 175.30 174.72 1itv s VAL 170 N -0.63 1.63 0.38 7.11 1.01 0.64 -1.10 120.40 129.45 1itv s VAL 170 Ca 0.41 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1itv s VAL 170 Cb -0.24 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 1itv s VAL 170 CO 0.28 0.46 -0.03 -0.44 0.00 0.00 0.00 175.10 175.38 1itv s SER 171 N -0.08 3.78 0.03 3.32 0.01 -0.97 -2.40 113.70 117.39 1itv s SER 171 Ca -0.02 -1.30 0.08 0.00 1.31 0.00 0.00 55.95 56.01 1itv s SER 171 Cb -0.12 -0.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 1itv s SER 171 CO 0.02 -0.36 -0.24 -0.94 0.41 0.00 0.00 173.24 172.13 1itv s SER 172 N -3.66 2.87 -0.21 2.44 1.04 -1.26 -2.41 113.70 112.51 1itv s SER 172 Ca 0.34 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.21 1itv s SER 172 Cb 0.07 -0.27 0.06 0.00 0.10 0.00 0.00 66.02 65.99 1itv s SER 172 CO 0.17 0.24 0.02 -0.13 0.98 0.00 0.00 173.24 174.52 1itv s ARG 173 N -1.08 0.84 -0.94 4.02 0.52 0.18 -4.92 118.95 117.57 1itv s ARG 173 Ca 0.10 -0.56 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 1itv s ARG 173 Cb -0.09 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.18 1itv s ARG 173 CO 0.01 -0.65 0.66 -1.13 0.02 0.00 0.00 175.30 174.22 1itv n SER 174 N 4.97 -5.19 -0.22 0.23 3.41 -1.26 -1.76 113.62 113.80 1itv n SER 174 Ca -0.09 -0.92 -0.03 0.00 -0.26 0.00 0.00 58.87 57.57 1itv n SER 174 Cb 0.46 -2.43 -0.01 0.00 -0.26 0.00 0.00 64.21 61.97 1itv n SER 174 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1itv n GLU 175 N -3.24 -1.16 -4.37 4.33 4.07 -1.26 -4.99 120.64 114.02 1itv n GLU 175 Ca -0.20 0.45 -0.23 0.00 -0.06 0.00 0.00 57.16 57.12 1itv n GLU 175 Cb 0.63 -4.40 -0.11 0.00 -0.06 0.00 0.00 31.44 27.49 1itv n GLU 175 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1itv s LEU 176 N -0.65 2.46 0.02 4.31 1.43 -0.72 -5.15 118.68 120.39 1itv s LEU 176 Ca 0.00 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.29 1itv s LEU 176 Cb 0.00 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.28 1itv s LEU 176 CO 0.00 -0.00 -0.24 0.20 0.23 0.00 0.00 176.35 176.54 1itv s ASN 177 N -2.80 2.87 -0.06 2.29 0.02 -1.26 -0.65 114.94 115.36 1itv s ASN 177 Ca 0.19 -0.52 -0.22 0.00 -1.02 0.00 0.00 52.86 51.28 1itv s ASN 177 Cb -0.06 -0.28 0.05 0.00 0.02 0.00 0.00 41.25 40.99 1itv s ASN 177 CO 0.08 0.25 0.50 0.00 0.02 0.00 0.00 177.10 177.95 1itv s GLN 178 N -1.00 0.83 0.25 -0.60 -2.07 -1.01 -4.38 119.66 111.68 1itv s GLN 178 Ca 0.10 0.16 -0.30 0.00 -1.82 0.00 0.00 55.36 53.50 1itv s GLN 178 Cb -0.09 0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 32.12 1itv s GLN 178 CO 0.01 -0.23 1.27 0.08 -1.32 0.00 0.00 175.29 175.10 1itv s VAL 179 N -1.00 3.14 0.00 3.63 1.01 -1.26 -2.28 120.40 123.64 1itv s VAL 179 Ca -0.10 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1itv s VAL 179 Cb -0.03 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1itv s VAL 179 CO 0.06 0.20 0.21 -0.90 0.00 0.00 0.00 175.10 174.67 1itv n ASP 180 N 1.86 0.42 -3.54 3.32 3.85 -0.25 -4.91 116.55 117.30 1itv n ASP 180 Ca 0.03 -0.71 -0.12 0.00 -0.71 0.00 0.00 54.79 53.28 1itv n ASP 180 Cb 0.43 0.54 -0.05 0.00 -1.35 0.00 0.00 41.12 40.70 1itv n ASP 180 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 1itv s GLN 181 N -0.54 0.82 -0.03 0.11 0.74 -1.22 -5.01 119.66 114.53 1itv s GLN 181 Ca 0.00 0.05 0.02 0.00 0.05 0.00 0.00 55.36 55.48 1itv s GLN 181 Cb 0.00 0.39 0.01 0.00 1.10 0.00 0.00 33.01 34.50 1itv s GLN 181 CO 0.00 -0.29 -0.08 0.08 -0.55 0.00 0.00 175.29 174.46 1itv s VAL 182 N -1.70 0.70 0.21 1.34 1.01 -1.26 -0.97 120.40 119.74 1itv s VAL 182 Ca -0.03 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1itv s VAL 182 Cb -0.00 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.78 1itv s VAL 182 CO 0.01 0.23 0.89 -0.83 0.00 0.00 0.00 175.10 175.40 1itv s GLY 183 N 0.34 -0.11 0.14 4.51 0.00 -0.78 -4.99 107.32 106.43 1itv s GLY 183 Ca -0.05 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 1itv s GLY 183 CO 0.00 0.18 0.91 -0.19 0.00 0.00 0.00 173.10 174.01 1itv s TYR 184 N -3.27 3.86 0.08 1.90 1.51 -1.26 -0.58 117.35 119.59 1itv s TYR 184 Ca 0.13 1.78 -0.21 0.00 -1.01 0.00 0.00 57.07 57.76 1itv s TYR 184 Cb -0.03 -2.97 -0.11 0.00 -0.11 0.00 0.00 41.96 38.73 1itv s TYR 184 CO 0.05 0.32 1.61 0.28 -1.11 0.00 0.00 175.55 176.70 1itv h VAL 185 N 3.72 1.16 -0.06 0.71 2.07 -1.78 0.67 116.25 122.73 1itv h VAL 185 Ca -0.44 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1itv h VAL 185 Cb 1.21 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1itv h VAL 185 CO 0.70 0.14 -0.00 0.71 0.02 0.00 0.00 177.57 179.14 1itv h THR 186 N 0.06 1.26 0.08 2.57 1.35 -1.82 -2.08 112.91 114.33 1itv h THR 186 Ca 0.05 -0.79 -0.13 0.00 -0.55 0.00 0.00 66.41 64.98 1itv h THR 186 Cb 0.18 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1itv h THR 186 CO -0.00 0.22 -0.62 1.88 -0.25 0.00 0.00 175.52 176.74 1itv h TYR 187 N -0.18 0.30 0.00 4.73 0.99 -1.82 -0.50 116.97 120.49 1itv h TYR 187 Ca 0.02 -0.22 -0.10 0.00 2.00 0.00 0.00 58.73 60.43 1itv h TYR 187 Cb 0.35 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 1itv h TYR 187 CO 0.04 1.24 -0.48 -0.44 -0.00 0.00 0.00 178.16 178.52 1itv h ASP 188 N -0.64 0.00 -3.49 3.88 3.45 -1.03 -3.33 116.42 115.27 1itv h ASP 188 Ca -0.12 0.00 -0.42 0.00 0.43 0.00 0.00 57.03 56.91 1itv h ASP 188 Cb 1.40 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 40.02 1itv h ASP 188 CO 0.06 0.48 -0.73 -0.63 -1.57 0.00 0.00 179.24 176.84 1itv s ILE 189 N -3.22 1.57 0.00 0.35 1.01 -0.78 -4.68 121.20 115.45 1itv s ILE 189 Ca 0.02 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.56 1itv s ILE 189 Cb 0.09 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1itv s ILE 189 CO 0.72 -0.60 0.00 0.18 0.00 0.00 0.00 174.94 175.25 1itv n LEU 190 N -0.20 0.00 -3.99 2.97 4.32 -1.25 -3.81 117.00 115.04 1itv n LEU 190 Ca -0.10 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.63 1itv n LEU 190 Cb 0.60 -0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 1itv n LEU 190 CO 0.33 0.00 -0.26 0.00 -1.22 0.00 0.00 177.39 176.24 1itv n GLN 191 N -1.75 -2.97 -2.56 3.23 6.02 -1.15 -4.19 117.38 114.01 1itv n GLN 191 Ca 0.00 0.37 -0.39 0.00 -0.01 0.00 0.00 57.00 56.97 1itv n GLN 191 Cb 0.00 -4.40 -0.05 0.00 1.02 0.00 0.00 30.24 26.81 1itv n GLN 191 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1itv s PRO 193 N -1.82 4.37 0.00 0.00 0.04 -1.26 -4.63 135.00 131.70 1itv s PRO 193 Ca 0.49 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1itv s PRO 193 Cb -0.27 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1itv s PRO 193 CO 0.34 -0.03 0.00 0.39 0.04 0.00 0.00 177.00 177.73 1itv n GLU 194 N 0.61 2.31 0.00 4.56 1.02 -1.26 -5.07 120.64 122.81 1itv n GLU 194 Ca 0.02 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1itv n GLU 194 Cb 0.46 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.97 1itv n GLU 194 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06