#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5i s LYS 2 N 0.00 3.50 -0.09 9.51 1.02 -1.26 -4.99 119.74 127.43 1r5i s LYS 2 Ca 0.00 0.98 -0.23 0.00 0.02 0.00 0.00 55.97 56.74 1r5i s LYS 2 Cb 0.00 -4.07 -0.03 0.00 -0.52 0.00 0.00 37.83 33.21 1r5i s LYS 2 CO 0.00 -1.66 0.71 -2.00 -0.92 0.00 0.00 175.35 171.48 1r5i s GLU 3 N 5.14 4.40 -0.26 1.68 2.12 -1.26 -4.98 118.70 125.54 1r5i s GLU 3 Ca 0.64 0.88 -0.07 0.00 0.36 0.00 0.00 54.97 56.78 1r5i s GLU 3 Cb -0.15 -3.47 -0.14 0.00 0.26 0.00 0.00 34.13 30.63 1r5i s GLU 3 CO 0.32 -0.01 -0.29 0.39 -0.54 0.00 0.00 175.26 175.13 1r5i n GLU 4 N 4.06 0.59 -4.04 4.30 1.02 -1.26 -5.06 120.64 120.25 1r5i n GLU 4 Ca -0.01 0.20 -0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1r5i n GLU 4 Cb 0.51 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 1r5i n GLU 4 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1r5i s HIS 5 N -2.49 0.42 -0.03 -0.32 3.76 -1.26 -5.06 115.29 110.31 1r5i s HIS 5 Ca -0.36 -0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 53.64 1r5i s HIS 5 Cb 0.12 -0.31 0.03 0.00 1.11 0.00 0.00 32.58 33.53 1r5i s HIS 5 CO 0.52 -0.36 0.04 0.08 -0.85 0.00 0.00 174.74 174.17 1r5i s VAL 6 N -3.39 -0.06 -0.21 -0.90 1.01 -1.26 -5.01 120.40 110.57 1r5i s VAL 6 Ca 0.02 0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1r5i s VAL 6 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1r5i s VAL 6 CO -0.08 0.14 -0.06 -0.63 0.00 0.00 0.00 175.10 174.47 1r5i s ILE 7 N 1.63 3.22 -0.07 2.22 1.01 -1.26 -0.95 121.20 126.99 1r5i s ILE 7 Ca -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1r5i s ILE 7 Cb -0.13 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1r5i s ILE 7 CO -0.03 0.44 -0.21 -0.63 0.00 0.00 0.00 174.94 174.51 1r5i s ILE 8 N 1.42 2.43 -0.33 2.92 1.01 0.05 -4.95 121.20 123.74 1r5i s ILE 8 Ca 0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 1r5i s ILE 8 Cb -0.14 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1r5i s ILE 8 CO -0.04 0.56 0.17 -1.58 0.00 0.00 0.00 174.94 174.05 1r5i s GLN 9 N -0.13 3.21 -0.09 2.79 0.74 -1.26 -0.41 119.66 124.51 1r5i s GLN 9 Ca -0.03 -0.81 0.04 0.00 0.05 0.00 0.00 55.36 54.61 1r5i s GLN 9 Cb -0.14 -3.62 -0.00 0.00 1.10 0.00 0.00 33.01 30.35 1r5i s GLN 9 CO 0.04 -0.49 -0.23 0.00 -0.55 0.00 0.00 175.29 174.06 1r5i s ALA 10 N 1.60 2.04 0.06 1.58 0.00 -1.26 -5.01 121.76 120.77 1r5i s ALA 10 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1r5i s ALA 10 Cb -0.18 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1r5i s ALA 10 CO 0.06 0.30 -0.04 -1.83 0.00 0.00 0.00 175.76 174.25 1r5i s GLU 11 N 0.26 0.62 0.18 0.00 -1.05 -1.26 -4.26 118.70 113.18 1r5i s GLU 11 Ca -0.15 -1.12 -0.20 0.00 -0.15 0.00 0.00 54.97 53.35 1r5i s GLU 11 Cb -0.17 0.03 0.05 0.00 -0.44 0.00 0.00 34.13 33.60 1r5i s GLU 11 CO 0.07 -0.06 0.57 -0.59 0.95 0.00 0.00 175.26 176.20 1r5i s PHE 12 N -3.23 -0.34 -0.05 4.83 -0.12 -0.47 -4.97 117.98 113.63 1r5i s PHE 12 Ca 0.03 0.05 -0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1r5i s PHE 12 Cb 0.03 0.49 0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1r5i s PHE 12 CO -0.06 -0.89 0.11 -0.47 -0.05 0.00 0.00 175.22 173.86 1r5i s TYR 13 N -3.81 -0.12 -0.03 3.49 5.04 -1.26 -1.11 117.35 119.54 1r5i s TYR 13 Ca 0.05 0.33 0.04 0.00 -2.44 0.00 0.00 57.07 55.04 1r5i s TYR 13 Cb -0.01 -0.00 -0.00 0.00 0.35 0.00 0.00 41.96 42.30 1r5i s TYR 13 CO -0.08 -0.08 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.74 1r5i s LEU 14 N 0.36 1.87 0.16 6.97 2.96 0.76 -4.98 118.68 126.76 1r5i s LEU 14 Ca -0.02 -0.28 0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1r5i s LEU 14 Cb -0.04 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 1r5i s LEU 14 CO -0.01 0.12 -0.17 0.20 -1.32 0.00 0.00 176.35 175.17 1r5i s ASN 15 N 0.09 3.90 0.00 3.68 0.01 -1.26 0.64 114.94 122.00 1r5i s ASN 15 Ca -0.03 -0.64 0.11 0.00 -0.71 0.00 0.00 52.86 51.60 1r5i s ASN 15 Cb -0.10 -0.54 0.46 0.00 0.41 0.00 0.00 41.25 41.48 1r5i s ASN 15 CO 0.01 0.14 1.33 -0.81 -1.51 0.00 0.00 177.10 176.26 1r5i n PRO 16 N 0.42 1.44 0.26 -0.60 -0.04 -1.26 -4.87 135.00 130.36 1r5i n PRO 16 Ca -0.13 -0.68 0.08 0.00 -0.04 0.00 0.00 63.50 62.73 1r5i n PRO 16 Cb 0.54 -1.23 0.66 0.00 -0.04 0.00 0.00 33.50 33.43 1r5i n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1r5i h ASP 17 N 1.20 0.00 -5.33 3.54 5.19 -2.01 -3.46 116.42 115.55 1r5i h ASP 17 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 1r5i h ASP 17 Cb 0.27 0.00 0.16 0.00 0.18 0.00 0.00 39.33 39.94 1r5i h ASP 17 CO 0.00 0.00 -0.70 0.00 -3.12 0.00 0.00 179.24 175.42 1r5i n GLN 18 N -4.49 -6.02 -5.20 3.56 6.02 0.21 -5.01 117.38 106.45 1r5i n GLN 18 Ca -0.03 0.78 -0.31 0.00 -0.01 0.00 0.00 57.00 57.43 1r5i n GLN 18 Cb 0.09 -5.58 -0.17 0.00 1.02 0.00 0.00 30.24 25.61 1r5i n GLN 18 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1r5i s SER 19 N -4.23 2.96 0.34 1.08 0.01 -1.02 -4.95 113.70 107.88 1r5i s SER 19 Ca 0.00 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.80 1r5i s SER 19 Cb -0.00 -0.97 -0.06 0.00 0.21 0.00 0.00 66.02 65.19 1r5i s SER 19 CO 0.67 0.21 0.06 -0.83 0.41 0.00 0.00 173.24 173.75 1r5i s GLY 20 N 0.01 2.18 -0.16 3.44 0.00 -1.26 -0.17 107.32 111.36 1r5i s GLY 20 Ca -0.08 -1.97 -0.23 0.00 0.00 0.00 0.00 44.72 42.44 1r5i s GLY 20 CO 0.05 -1.85 0.61 1.85 0.00 0.00 0.00 173.10 173.76 1r5i s GLU 21 N -3.86 0.81 0.01 2.90 2.12 -0.27 -4.96 118.70 115.45 1r5i s GLU 21 Ca 0.35 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.28 1r5i s GLU 21 Cb 0.08 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 1r5i s GLU 21 CO 0.15 -0.16 -0.02 0.12 -0.54 0.00 0.00 175.26 174.81 1r5i s PHE 22 N -0.24 0.20 0.00 5.30 2.19 -1.26 -1.37 117.98 122.81 1r5i s PHE 22 Ca -0.04 -0.30 0.01 0.00 0.33 0.00 0.00 56.93 56.93 1r5i s PHE 22 Cb -0.03 -0.14 -0.01 0.00 -1.31 0.00 0.00 43.02 41.53 1r5i s PHE 22 CO 0.04 -0.10 -0.03 -0.06 1.83 0.00 0.00 175.22 176.90 1r5i s PHE 24 N -0.81 0.27 0.03 10.12 0.40 -0.06 -1.86 117.98 126.08 1r5i s PHE 24 Ca -0.08 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1r5i s PHE 24 Cb -0.06 -0.17 -0.02 0.00 0.51 0.00 0.00 43.02 43.28 1r5i s PHE 24 CO -0.00 -0.03 -0.07 0.16 0.70 0.00 0.00 175.22 175.97 1r5i s ASP 25 N -0.34 0.81 -0.16 1.36 3.84 0.45 -0.59 116.67 122.03 1r5i s ASP 25 Ca -0.02 -0.41 0.01 0.00 -0.00 0.00 0.00 52.55 52.13 1r5i s ASP 25 Cb -0.03 -0.00 0.02 0.00 -1.38 0.00 0.00 42.92 41.53 1r5i s ASP 25 CO -0.00 -0.11 -0.16 0.12 -0.00 0.00 0.00 175.17 175.01 1r5i s PHE 26 N -0.97 2.41 -1.64 2.11 5.36 0.16 -0.77 117.98 124.63 1r5i s PHE 26 Ca -0.06 -1.38 -0.19 0.00 -0.96 0.00 0.00 56.93 54.33 1r5i s PHE 26 Cb -0.07 -1.72 0.18 0.00 -0.34 0.00 0.00 43.02 41.07 1r5i s PHE 26 CO 0.00 -0.72 0.61 -0.25 -1.46 0.00 0.00 175.22 173.40 1r5i n ASP 27 N 4.70 -2.41 0.00 6.13 8.00 -0.13 -0.70 116.55 132.14 1r5i n ASP 27 Ca -0.19 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1r5i n ASP 27 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 41.12 39.55 1r5i n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r5i n GLY 28 N -1.13 3.06 3.76 0.44 0.00 -1.26 -5.04 105.19 105.01 1r5i n GLY 28 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1r5i n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r5i s ASP 29 N -1.13 5.55 -0.05 1.61 1.01 0.12 -5.04 116.67 118.75 1r5i s ASP 29 Ca 0.00 0.11 -0.30 0.00 0.71 0.00 0.00 52.55 53.07 1r5i s ASP 29 Cb 0.00 -1.56 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 1r5i s ASP 29 CO 0.00 0.28 1.32 -0.70 0.21 0.00 0.00 175.17 176.27 1r5i s GLU 30 N -1.67 4.30 -0.15 8.23 2.12 -1.26 0.37 118.70 130.63 1r5i s GLU 30 Ca 0.22 1.82 -0.28 0.00 0.36 0.00 0.00 54.97 57.09 1r5i s GLU 30 Cb -0.12 -3.62 -0.25 0.00 0.26 0.00 0.00 34.13 30.40 1r5i s GLU 30 CO 0.13 -0.56 0.70 0.82 -0.54 0.00 0.00 175.26 175.81 1r5i h ILE 31 N 5.07 1.69 -2.13 -3.70 2.04 -1.18 -3.40 117.51 115.89 1r5i h ILE 31 Ca -0.35 -2.32 0.18 0.00 1.00 0.00 0.00 64.86 63.37 1r5i h ILE 31 Cb 1.16 3.24 -0.12 0.00 -0.74 0.00 0.00 36.82 40.37 1r5i h ILE 31 CO 0.91 0.57 0.56 0.72 0.00 0.00 0.00 178.15 180.91 1r5i s PHE 32 N -2.23 -0.19 0.18 1.37 -0.12 -1.18 -2.04 117.98 113.77 1r5i s PHE 32 Ca -0.20 -0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 56.62 1r5i s PHE 32 Cb -0.02 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1r5i s PHE 32 CO 0.68 -0.61 0.21 -3.38 -0.05 0.00 0.00 175.22 172.07 1r5i s HIS 33 N -3.04 0.74 -0.21 3.49 -3.43 -0.99 -0.88 115.29 110.96 1r5i s HIS 33 Ca 0.10 -1.06 -0.02 0.00 -0.80 0.00 0.00 55.06 53.28 1r5i s HIS 33 Cb -0.00 -0.27 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 1r5i s HIS 33 CO -0.03 -0.69 -0.09 0.08 -2.00 0.00 0.00 174.74 172.01 1r5i s VAL 34 N -4.05 2.91 0.95 -5.38 1.01 -0.78 -1.01 120.40 114.05 1r5i s VAL 34 Ca 0.26 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1r5i s VAL 34 Cb 0.05 -2.32 0.24 0.00 0.00 0.00 0.00 36.38 34.35 1r5i s VAL 34 CO 0.06 0.43 0.75 -0.67 0.00 0.00 0.00 175.10 175.67 1r5i n ASP 35 N 4.73 -2.31 0.00 3.32 -0.08 -0.64 -4.49 116.55 117.07 1r5i n ASP 35 Ca -0.19 -0.89 0.00 0.00 -1.51 0.00 0.00 54.79 52.20 1r5i n ASP 35 Cb 0.50 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1r5i n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r5i n ALA 37 N -4.56 0.00 0.50 -1.67 0.00 -1.26 0.22 120.51 113.74 1r5i n ALA 37 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1r5i n ALA 37 Cb 0.43 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.01 1r5i n ALA 37 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1r5i h LYS 38 N 0.00 0.00 -5.80 0.00 1.57 -2.06 -3.48 116.57 106.80 1r5i h LYS 38 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1r5i h LYS 38 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1r5i h LYS 38 CO 0.00 0.00 -0.44 1.17 -0.57 0.00 0.00 179.45 179.61 1r5i n LYS 39 N -2.20 -1.44 -3.64 3.15 4.81 0.13 -5.03 118.16 113.95 1r5i n LYS 39 Ca 0.03 1.15 -0.14 0.00 -0.87 0.00 0.00 58.31 58.47 1r5i n LYS 39 Cb 0.46 -4.77 -0.08 0.00 0.02 0.00 0.00 35.03 30.66 1r5i n LYS 39 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1r5i s GLU 40 N -3.93 0.78 0.19 1.64 -1.05 -1.08 -4.85 118.70 110.41 1r5i s GLU 40 Ca 0.10 0.70 -0.30 0.00 -0.15 0.00 0.00 54.97 55.31 1r5i s GLU 40 Cb -0.03 0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 1r5i s GLU 40 CO 0.80 -0.14 1.39 0.99 0.95 0.00 0.00 175.26 179.25 1r5i s THR 41 N -0.03 3.00 -0.12 1.83 2.01 -1.26 -1.62 115.64 119.44 1r5i s THR 41 Ca -0.03 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 1r5i s THR 41 Cb -0.04 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1r5i s THR 41 CO 0.03 0.10 -0.04 0.54 -0.69 0.00 0.00 174.62 174.56 1r5i s VAL 42 N 0.40 0.79 0.26 3.82 0.11 -0.18 -4.94 120.40 120.67 1r5i s VAL 42 Ca 0.61 -0.26 -0.28 0.00 -2.93 0.00 0.00 61.98 59.12 1r5i s VAL 42 Cb -0.39 -0.93 -0.09 0.00 -1.53 0.00 0.00 36.38 33.43 1r5i s VAL 42 CO 0.37 0.23 0.93 0.26 -3.33 0.00 0.00 175.10 173.56 1r5i s TRP 43 N 1.79 3.88 0.49 1.54 0.52 -1.26 -2.35 118.94 123.55 1r5i s TRP 43 Ca 0.04 1.85 0.19 0.00 0.02 0.00 0.00 56.10 58.19 1r5i s TRP 43 Cb -0.13 -2.94 1.29 0.00 -1.15 0.00 0.00 33.47 30.54 1r5i s TRP 43 CO -0.07 0.37 2.10 -0.09 0.02 0.00 0.00 176.95 179.28 1r5i h ARG 44 N 3.81 0.00 -3.51 4.98 9.65 -1.63 -3.39 114.38 124.29 1r5i h ARG 44 Ca -0.46 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.08 1r5i h ARG 44 Cb 1.20 0.00 -0.36 0.00 -1.39 0.00 0.00 29.97 29.42 1r5i h ARG 44 CO 0.67 0.08 -0.74 -0.51 2.80 0.00 0.00 179.97 182.27 1r5i s LEU 45 N -8.46 0.79 0.55 3.80 1.43 -1.26 -5.05 118.68 110.48 1r5i s LEU 45 Ca -0.04 0.03 0.27 0.00 -1.03 0.00 0.00 54.13 53.35 1r5i s LEU 45 Cb 0.16 -0.15 1.46 0.00 0.03 0.00 0.00 46.19 47.69 1r5i s LEU 45 CO 0.65 -0.16 1.99 -0.33 0.23 0.00 0.00 176.35 178.72 1r5i h GLU 46 N 7.69 0.00 -0.46 1.70 5.08 -1.99 -1.02 114.58 125.57 1r5i h GLU 46 Ca -0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1r5i h GLU 46 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1r5i h GLU 46 CO 0.37 0.00 0.24 1.05 -1.00 0.00 0.00 179.01 179.67 1r5i h GLU 47 N 0.00 0.63 -0.96 2.33 4.11 -1.96 -2.04 114.58 116.69 1r5i h GLU 47 Ca 0.23 -0.06 0.15 0.00 0.07 0.00 0.00 59.36 59.75 1r5i h GLU 47 Cb 1.00 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 1r5i h GLU 47 CO -0.00 0.48 0.61 0.74 0.07 0.00 0.00 179.01 180.90 1r5i h PHE 48 N 0.64 0.96 0.00 2.06 0.04 -1.59 0.75 116.94 119.80 1r5i h PHE 48 Ca 0.16 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1r5i h PHE 48 Cb 0.04 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 1r5i h PHE 48 CO 0.00 0.31 -0.02 0.78 -0.60 0.00 0.00 178.31 178.78 1r5i h GLY 49 N 0.77 0.00 -1.74 -1.45 0.00 -1.50 -2.35 103.07 96.80 1r5i h GLY 49 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1r5i h GLY 49 CO -0.27 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.81 1r5i n ARG 50 N -3.16 2.31 0.00 4.80 1.74 0.25 -3.90 116.66 118.71 1r5i n ARG 50 Ca -0.01 -1.24 0.00 0.00 -0.77 0.00 0.00 57.85 55.83 1r5i n ARG 50 Cb 0.24 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1r5i n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1r5i n PHE 51 N 0.31 0.00 -3.90 -1.55 3.72 -0.93 -5.11 117.46 110.00 1r5i n PHE 51 Ca 0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.42 1r5i n PHE 51 Cb 0.51 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.00 1r5i n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r5i s ALA 52 N 0.00 -0.52 0.23 4.37 0.00 -0.95 -5.13 121.76 119.76 1r5i s ALA 52 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1r5i s ALA 52 Cb 0.00 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1r5i s ALA 52 CO 0.00 -0.84 0.32 -1.54 0.00 0.00 0.00 175.76 173.70 1r5i s SER 53 N -2.96 0.02 -0.26 0.00 1.04 -1.26 -4.54 113.70 105.73 1r5i s SER 53 Ca 0.17 -1.14 -0.17 0.00 0.48 0.00 0.00 55.95 55.29 1r5i s SER 53 Cb -0.01 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.68 1r5i s SER 53 CO 0.04 -1.00 0.66 0.12 0.98 0.00 0.00 173.24 174.04 1r5i s PHE 54 N -4.08 -0.96 -0.88 5.02 5.36 -1.26 -5.11 117.98 116.07 1r5i s PHE 54 Ca 0.30 1.99 -0.25 0.00 -0.96 0.00 0.00 56.93 58.01 1r5i s PHE 54 Cb 0.03 0.52 0.03 0.00 -0.34 0.00 0.00 43.02 43.26 1r5i s PHE 54 CO 0.10 -0.48 1.42 -2.00 -1.46 0.00 0.00 175.22 172.81 1r5i s GLU 55 N 1.33 3.34 0.43 10.12 2.56 -1.26 -4.73 118.70 130.49 1r5i s GLU 55 Ca -0.08 -0.65 0.29 0.00 0.00 0.00 0.00 54.97 54.54 1r5i s GLU 55 Cb -0.05 -4.82 1.39 0.00 2.00 0.00 0.00 34.13 32.66 1r5i s GLU 55 CO -0.15 -2.26 1.64 0.00 -0.56 0.00 0.00 175.26 173.93 1r5i h ALA 56 N 10.17 2.69 -0.92 6.30 0.00 -1.95 0.83 119.26 136.38 1r5i h ALA 56 Ca -0.02 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.22 1r5i h ALA 56 Cb 1.03 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1r5i h ALA 56 CO 1.35 -1.30 0.62 0.37 0.00 0.00 0.00 179.25 180.29 1r5i h GLN 57 N 0.11 0.30 -0.54 0.00 5.75 -1.89 0.89 115.11 119.75 1r5i h GLN 57 Ca 0.80 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 59.32 1r5i h GLN 57 Cb 2.47 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 30.91 1r5i h GLN 57 CO -0.40 0.20 0.30 0.78 -2.65 0.00 0.00 178.83 177.05 1r5i h GLY 58 N 0.31 0.76 0.93 2.39 0.00 0.30 -2.18 103.07 105.58 1r5i h GLY 58 Ca 0.48 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.61 1r5i h GLY 58 CO -0.15 0.16 0.31 0.00 0.00 0.00 0.00 176.54 176.86 1r5i h ALA 59 N 1.27 0.64 -0.81 3.60 0.00 -0.95 -1.96 119.26 121.05 1r5i h ALA 59 Ca 0.23 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1r5i h ALA 59 Cb 0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1r5i h ALA 59 CO -0.13 0.04 0.47 1.25 0.00 0.00 0.00 179.25 180.88 1r5i h LEU 60 N 0.63 0.70 -0.03 0.00 5.85 -1.24 0.44 115.31 121.66 1r5i h LEU 60 Ca 0.19 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1r5i h LEU 60 Cb -0.02 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1r5i h LEU 60 CO -0.07 0.43 0.02 0.00 -0.34 0.00 0.00 178.44 178.47 1r5i h ALA 61 N 1.42 0.04 -0.54 1.25 0.00 -0.77 -0.79 119.26 119.87 1r5i h ALA 61 Ca 0.37 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1r5i h ALA 61 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r5i h ALA 61 CO -0.21 -0.45 0.20 -0.91 0.00 0.00 0.00 179.25 177.87 1r5i h ASN 62 N 0.01 0.76 -0.56 0.00 4.21 -0.75 -2.65 115.58 116.59 1r5i h ASN 62 Ca 0.01 -0.18 -0.11 0.00 1.21 0.00 0.00 56.30 57.23 1r5i h ASN 62 Cb 0.03 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.01 1r5i h ASN 62 CO -0.00 0.74 -0.07 0.40 -1.29 0.00 0.00 177.43 177.21 1r5i h ILE 63 N 0.73 1.27 -0.70 2.81 1.08 -0.87 0.12 117.51 121.95 1r5i h ILE 63 Ca 0.18 -1.22 0.12 0.00 -0.39 0.00 0.00 64.86 63.55 1r5i h ILE 63 Cb 0.23 0.91 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 1r5i h ILE 63 CO -0.01 0.44 0.26 0.00 -0.69 0.00 0.00 178.15 178.14 1r5i h ALA 64 N 0.95 0.94 -0.12 1.87 0.00 -0.93 0.34 119.26 122.31 1r5i h ALA 64 Ca 0.15 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1r5i h ALA 64 Cb 0.63 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1r5i h ALA 64 CO 0.04 -0.21 -0.72 0.28 0.00 0.00 0.00 179.25 178.63 1r5i h VAL 65 N 0.41 1.34 -0.40 0.00 2.07 -1.28 -2.84 116.25 115.55 1r5i h VAL 65 Ca 0.37 -2.04 0.01 0.00 0.82 0.00 0.00 66.70 65.86 1r5i h VAL 65 Cb 0.53 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1r5i h VAL 65 CO -0.38 0.63 0.25 0.44 0.02 0.00 0.00 177.57 178.53 1r5i h ASP 66 N 0.39 0.42 -0.74 0.57 3.32 0.60 -0.30 116.42 120.68 1r5i h ASP 66 Ca -0.03 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.10 1r5i h ASP 66 Cb 1.31 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 1r5i h ASP 66 CO 0.13 0.30 0.40 0.50 -1.72 0.00 0.00 179.24 178.86 1r5i h LYS 67 N 0.51 0.68 -0.42 3.56 3.64 -0.32 -0.65 116.57 123.56 1r5i h LYS 67 Ca 0.16 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1r5i h LYS 67 Cb -0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1r5i h LYS 67 CO -0.06 0.45 0.19 0.00 -2.27 0.00 0.00 179.45 177.76 1r5i h ALA 68 N 1.41 0.55 -0.53 5.00 0.00 -1.14 -2.72 119.26 121.82 1r5i h ALA 68 Ca 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1r5i h ALA 68 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1r5i h ALA 68 CO -0.23 0.12 0.18 -0.91 0.00 0.00 0.00 179.25 178.41 1r5i h ASN 69 N 0.54 0.72 -0.80 0.00 2.35 -0.08 -1.92 115.58 116.38 1r5i h ASN 69 Ca 0.14 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1r5i h ASN 69 Cb 0.15 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 1r5i h ASN 69 CO -0.02 0.67 0.41 0.25 -1.65 0.00 0.00 177.43 177.10 1r5i h LEU 70 N 0.77 1.03 -0.06 1.61 5.85 -0.88 -2.04 115.31 121.59 1r5i h LEU 70 Ca 0.18 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1r5i h LEU 70 Cb 0.21 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1r5i h LEU 70 CO -0.01 0.85 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.83 1r5i h GLU 71 N 1.14 -0.03 0.00 1.25 4.22 -1.11 -0.16 114.58 119.90 1r5i h GLU 71 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.72 1r5i h GLU 71 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1r5i h GLU 71 CO -0.04 -0.02 0.00 -0.89 -2.18 0.00 0.00 179.01 175.88 1r5i n ILE 72 N -5.15 0.00 0.00 2.32 5.41 -0.77 -2.59 119.36 118.59 1r5i n ILE 72 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1r5i n ILE 72 Cb 0.08 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 1r5i n ILE 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1r5i n THR 74 N -0.33 0.00 -0.01 1.39 -1.04 -0.07 -0.68 114.28 113.54 1r5i n THR 74 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1r5i n THR 74 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1r5i n THR 74 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1r5i h LYS 75 N 0.00 0.13 -0.87 -2.82 3.64 -1.73 0.50 116.57 115.42 1r5i h LYS 75 Ca 0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1r5i h LYS 75 Cb 0.00 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1r5i h LYS 75 CO 0.00 0.19 0.57 -0.09 -2.27 0.00 0.00 179.45 177.85 1r5i h ARG 76 N 0.04 1.02 0.00 1.90 2.43 -1.18 0.85 114.38 119.45 1r5i h ARG 76 Ca 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1r5i h ARG 76 Cb 0.10 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1r5i h ARG 76 CO -0.00 0.68 0.00 -1.13 -1.51 0.00 0.00 179.97 178.00 1r5i n SER 77 N -4.46 0.00 -2.85 -3.80 3.41 -1.11 -4.84 113.62 99.96 1r5i n SER 77 Ca 0.12 -1.15 -0.17 0.00 -0.26 0.00 0.00 58.87 57.41 1r5i n SER 77 Cb 0.14 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1r5i n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1r5i n ASN 78 N -0.86 -4.62 -3.66 4.04 5.15 0.29 -3.41 115.26 112.20 1r5i n ASN 78 Ca 0.16 -0.42 -0.23 0.00 -0.60 0.00 0.00 54.58 53.48 1r5i n ASN 78 Cb 0.07 -3.96 0.06 0.00 -0.53 0.00 0.00 39.78 35.42 1r5i n ASN 78 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1r5i n TYR 79 N -4.19 -2.36 -2.69 1.20 4.02 0.17 -4.97 117.16 108.35 1r5i n TYR 79 Ca -0.04 0.93 -0.43 0.00 -0.01 0.00 0.00 57.90 58.35 1r5i n TYR 79 Cb 0.56 -4.66 -0.02 0.00 -0.02 0.00 0.00 39.34 35.20 1r5i n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1r5i s THR 80 N -3.41 4.74 0.41 -0.72 2.01 -1.22 -5.03 115.64 112.42 1r5i s THR 80 Ca 0.33 2.01 -0.12 0.00 0.31 0.00 0.00 61.69 64.22 1r5i s THR 80 Cb -0.15 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 67.99 1r5i s THR 80 CO 0.77 -0.08 0.79 -2.16 -0.69 0.00 0.00 174.62 173.25 1r5i s PRO 81 N 2.57 3.83 0.66 4.92 0.04 -1.26 -5.01 135.00 140.75 1r5i s PRO 81 Ca 0.46 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 1r5i s PRO 81 Cb -0.17 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1r5i s PRO 81 CO 0.12 -0.04 1.13 -1.50 0.04 0.00 0.00 177.00 176.75 1r5i s ILE 82 N -2.34 3.06 -0.26 0.56 2.07 -1.26 -5.00 121.20 118.03 1r5i s ILE 82 Ca 0.52 0.51 -0.10 0.00 -1.41 0.00 0.00 60.65 60.17 1r5i s ILE 82 Cb -0.10 -3.04 -0.05 0.00 0.13 0.00 0.00 42.46 39.40 1r5i s ILE 82 CO 0.29 -0.29 0.16 -0.89 -1.91 0.00 0.00 174.94 172.31 1r5i s THR 83 N -2.23 5.20 0.27 4.00 2.01 -1.26 -5.04 115.64 118.59 1r5i s THR 83 Ca 0.69 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 1r5i s THR 83 Cb -0.22 -3.46 -0.13 0.00 0.01 0.00 0.00 72.50 68.70 1r5i s THR 83 CO 0.41 0.29 1.37 0.59 -0.69 0.00 0.00 174.62 176.59 1r5i n ASN 84 N 4.78 2.73 -3.77 3.53 3.02 -1.26 -4.78 115.26 119.51 1r5i n ASN 84 Ca -0.15 1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 55.27 1r5i n ASN 84 Cb 0.52 -1.44 -0.15 0.00 -0.61 0.00 0.00 39.78 38.09 1r5i n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r5i s VAL 85 N -0.36 0.96 0.54 2.41 1.01 -0.10 -4.85 120.40 120.01 1r5i s VAL 85 Ca 0.64 -1.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1r5i s VAL 85 Cb -0.63 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1r5i s VAL 85 CO 0.53 -0.53 1.05 -0.81 0.00 0.00 0.00 175.10 175.35 1r5i n PRO 86 N 4.83 1.19 -2.25 2.72 -0.04 -1.26 -2.08 135.00 138.12 1r5i n PRO 86 Ca -0.04 0.44 -0.28 0.00 -0.04 0.00 0.00 63.50 63.58 1r5i n PRO 86 Cb 0.43 -2.22 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1r5i n PRO 86 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1r5i s PRO 87 N -2.57 3.20 -0.27 0.54 0.04 -1.26 -4.52 135.00 130.16 1r5i s PRO 87 Ca 0.71 0.29 -0.07 0.00 0.04 0.00 0.00 61.00 61.97 1r5i s PRO 87 Cb -0.45 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1r5i s PRO 87 CO 0.50 -0.61 0.07 -1.21 0.04 0.00 0.00 177.00 175.79 1r5i s GLU 88 N -5.04 3.40 -0.14 4.56 2.02 -0.13 -4.90 118.70 118.47 1r5i s GLU 88 Ca 0.53 -0.64 -0.06 0.00 0.02 0.00 0.00 54.97 54.82 1r5i s GLU 88 Cb -0.11 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1r5i s GLU 88 CO 0.48 -0.30 0.08 0.08 0.02 0.00 0.00 175.26 175.63 1r5i s VAL 89 N 1.56 4.99 -0.01 2.63 1.01 -1.26 -1.33 120.40 128.00 1r5i s VAL 89 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1r5i s VAL 89 Cb -0.16 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1r5i s VAL 89 CO 0.03 0.54 -0.04 -0.89 0.00 0.00 0.00 175.10 174.74 1r5i s THR 90 N -0.37 0.30 -0.15 3.92 2.01 -0.25 -4.96 115.64 116.14 1r5i s THR 90 Ca 0.10 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 1r5i s THR 90 Cb -0.12 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.16 1r5i s THR 90 CO 0.02 0.09 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.27 1r5i s VAL 91 N -0.01 1.16 0.26 3.82 1.01 -1.26 0.36 120.40 125.74 1r5i s VAL 91 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1r5i s VAL 91 Cb -0.02 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1r5i s VAL 91 CO -0.00 0.25 0.10 -0.76 0.00 0.00 0.00 175.10 174.68 1r5i s LEU 92 N 1.63 1.64 0.37 3.92 1.02 -0.55 -4.95 118.68 121.75 1r5i s LEU 92 Ca 0.03 -1.38 0.04 0.00 0.02 0.00 0.00 54.13 52.83 1r5i s LEU 92 Cb -0.14 0.02 -0.01 0.00 0.02 0.00 0.00 46.19 46.08 1r5i s LEU 92 CO -0.08 -0.73 0.54 0.42 0.02 0.00 0.00 176.35 176.52 1r5i s THR 93 N -3.75 4.19 0.23 5.49 -4.23 -1.26 0.19 115.64 116.50 1r5i s THR 93 Ca 0.38 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1r5i s THR 93 Cb 0.08 -3.49 0.03 0.00 1.34 0.00 0.00 72.50 70.46 1r5i s THR 93 CO 0.14 -0.25 1.64 -1.13 -0.54 0.00 0.00 174.62 174.48 1r5i h ASN 94 N 0.72 0.66 -5.02 3.99 -1.24 -1.23 -3.46 115.58 109.99 1r5i h ASN 94 Ca -0.47 -0.25 0.03 0.00 0.71 0.00 0.00 56.30 56.33 1r5i h ASN 94 Cb 1.25 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 40.10 1r5i h ASN 94 CO 0.55 0.90 0.27 -0.94 -1.29 0.00 0.00 177.43 176.93 1r5i s SER 95 N -6.79 -0.12 0.50 1.15 1.04 -1.26 -5.03 113.70 103.17 1r5i s SER 95 Ca -0.08 -0.86 -0.22 0.00 0.48 0.00 0.00 55.95 55.26 1r5i s SER 95 Cb 0.13 0.77 -0.08 0.00 0.10 0.00 0.00 66.02 66.95 1r5i s SER 95 CO 0.82 -1.49 1.14 -0.81 0.98 0.00 0.00 173.24 173.88 1r5i n PRO 96 N -0.50 1.45 -3.49 4.02 -0.04 -1.26 -4.94 135.00 130.24 1r5i n PRO 96 Ca -0.06 0.53 -0.37 0.00 -0.04 0.00 0.00 63.50 63.55 1r5i n PRO 96 Cb 0.59 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.72 1r5i n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r5i s VAL 97 N -1.32 5.01 -0.01 0.52 0.11 -1.26 -5.06 120.40 118.39 1r5i s VAL 97 Ca 0.68 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.54 1r5i s VAL 97 Cb -0.48 -3.72 0.01 0.00 -1.53 0.00 0.00 36.38 30.67 1r5i s VAL 97 CO 0.53 0.52 0.00 -0.70 -3.33 0.00 0.00 175.10 172.12 1r5i s GLU 98 N -1.25 0.03 -0.07 1.54 2.56 -1.26 -5.10 118.70 115.15 1r5i s GLU 98 Ca 0.26 0.04 -0.39 0.00 0.00 0.00 0.00 54.97 54.88 1r5i s GLU 98 Cb -0.16 -0.11 -0.18 0.00 2.00 0.00 0.00 34.13 35.68 1r5i s GLU 98 CO 0.15 -0.04 1.37 -0.11 -0.56 0.00 0.00 175.26 176.06 1r5i n LEU 99 N 3.41 1.26 0.00 2.70 -0.00 -1.26 -1.26 117.00 121.85 1r5i n LEU 99 Ca -0.17 1.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.97 1r5i n LEU 99 Cb 0.57 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1r5i n LEU 99 CO 0.25 -1.16 0.00 0.54 -0.00 0.00 0.00 177.39 177.02 1r5i n ARG 100 N 2.91 -1.01 -3.15 1.96 5.12 -0.88 -4.94 116.66 116.67 1r5i n ARG 100 Ca 0.22 0.25 -0.43 0.00 -1.93 0.00 0.00 57.85 55.96 1r5i n ARG 100 Cb 0.12 -4.55 -0.07 0.00 -1.16 0.00 0.00 32.46 26.81 1r5i n ARG 100 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1r5i s GLU 101 N -1.38 3.21 0.12 5.56 2.12 -0.39 -4.83 118.70 123.10 1r5i s GLU 101 Ca 0.00 -0.55 -0.25 0.00 0.36 0.00 0.00 54.97 54.53 1r5i s GLU 101 Cb 0.00 -3.99 -0.14 0.00 0.26 0.00 0.00 34.13 30.26 1r5i s GLU 101 CO 0.00 -1.05 0.53 -2.30 -0.54 0.00 0.00 175.26 171.91 1r5i n PRO 102 N 6.17 0.00 -1.92 4.30 -0.02 -1.26 -4.46 135.00 137.82 1r5i n PRO 102 Ca -0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 1r5i n PRO 102 Cb 0.47 -0.90 -0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1r5i n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1r5i n ASN 103 N 1.49 -0.23 -3.73 2.55 2.85 -0.24 -5.00 115.26 112.95 1r5i n ASN 103 Ca 0.15 -1.30 -0.12 0.00 -0.11 0.00 0.00 54.58 53.20 1r5i n ASN 103 Cb 0.16 0.42 -0.13 0.00 1.24 0.00 0.00 39.78 41.47 1r5i n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1r5i s VAL 104 N -2.52 -0.03 -0.02 3.44 1.01 -1.26 -1.25 120.40 119.77 1r5i s VAL 104 Ca 0.04 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1r5i s VAL 104 Cb -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1r5i s VAL 104 CO 0.03 0.05 0.53 -0.76 0.00 0.00 0.00 175.10 174.96 1r5i s LEU 105 N 1.16 4.41 -0.17 3.92 1.43 0.36 -0.61 118.68 129.17 1r5i s LEU 105 Ca -0.08 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1r5i s LEU 105 Cb -0.09 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1r5i s LEU 105 CO -0.08 0.14 -0.16 -0.63 0.23 0.00 0.00 176.35 175.85 1r5i s ILE 106 N -0.28 2.52 -0.36 -0.59 1.01 0.13 -1.32 121.20 122.31 1r5i s ILE 106 Ca 0.28 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1r5i s ILE 106 Cb -0.17 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1r5i s ILE 106 CO 0.15 0.51 0.19 0.00 0.00 0.00 0.00 174.94 175.80 1r5i s PHE 108 N 1.57 3.25 -0.25 0.00 0.08 0.16 -1.72 117.98 121.06 1r5i s PHE 108 Ca 0.03 0.43 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 1r5i s PHE 108 Cb -0.19 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.70 1r5i s PHE 108 CO 0.07 -0.23 -0.04 0.42 -0.10 0.00 0.00 175.22 175.34 1r5i s ILE 109 N 2.07 3.10 0.31 0.64 1.01 -0.57 -1.09 121.20 126.66 1r5i s ILE 109 Ca 0.15 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1r5i s ILE 109 Cb -0.16 -2.55 -0.06 0.00 0.01 0.00 0.00 42.46 39.70 1r5i s ILE 109 CO 0.10 0.21 0.08 -0.62 0.00 0.00 0.00 174.94 174.71 1r5i s ASP 110 N 1.37 1.97 -1.30 3.58 3.68 -0.44 -1.26 116.67 124.27 1r5i s ASP 110 Ca 0.01 -1.40 -0.15 0.00 2.13 0.00 0.00 52.55 53.14 1r5i s ASP 110 Cb -0.16 0.04 0.01 0.00 -1.45 0.00 0.00 42.92 41.35 1r5i s ASP 110 CO -0.03 -0.67 0.52 0.29 0.13 0.00 0.00 175.17 175.41 1r5i n LYS 111 N -0.62 -1.49 -4.29 4.34 5.02 -0.92 -0.95 118.16 119.25 1r5i n LYS 111 Ca -0.02 0.27 -0.16 0.00 -2.02 0.00 0.00 58.31 56.39 1r5i n LYS 111 Cb 0.66 -3.71 -0.10 0.00 -0.02 0.00 0.00 35.03 31.87 1r5i n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1r5i s PHE 112 N -3.78 1.45 -0.29 2.13 -0.12 -1.17 -4.49 117.98 111.71 1r5i s PHE 112 Ca 0.27 -1.30 -0.29 0.00 -0.05 0.00 0.00 56.93 55.56 1r5i s PHE 112 Cb -0.12 -0.79 0.20 0.00 -0.63 0.00 0.00 43.02 41.68 1r5i s PHE 112 CO 0.92 -0.48 1.39 -0.08 -0.05 0.00 0.00 175.22 176.92 1r5i s THR 113 N -3.83 0.00 1.02 -4.49 -1.32 -0.88 0.29 115.64 106.42 1r5i s THR 113 Ca 0.38 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 1r5i s THR 113 Cb 0.07 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.26 1r5i s THR 113 CO 0.14 0.00 1.08 -2.16 -2.21 0.00 0.00 174.62 171.47 1r5i s PRO 114 N -0.96 0.27 -0.72 7.08 0.04 -1.26 -0.92 135.00 138.53 1r5i s PRO 114 Ca 0.09 0.76 -0.06 0.00 0.04 0.00 0.00 61.00 61.84 1r5i s PRO 114 Cb -0.01 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.72 1r5i s PRO 114 CO -0.09 -2.90 2.45 -0.35 0.04 0.00 0.00 177.00 176.15 1r5i n PRO 115 N -4.33 2.12 -3.90 0.56 -0.04 -1.26 -4.75 135.00 123.40 1r5i n PRO 115 Ca 0.05 -1.31 -0.23 0.00 -0.04 0.00 0.00 63.50 61.97 1r5i n PRO 115 Cb 0.55 -2.30 -0.17 0.00 -0.04 0.00 0.00 33.50 31.55 1r5i n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1r5i s VAL 116 N 2.56 0.57 -0.01 0.52 1.01 -1.26 -5.04 120.40 118.74 1r5i s VAL 116 Ca 0.47 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 1r5i s VAL 116 Cb 0.16 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1r5i s VAL 116 CO -0.03 0.28 0.42 0.54 0.00 0.00 0.00 175.10 176.32 1r5i s VAL 117 N 1.67 0.04 -0.21 2.92 0.11 -1.26 -4.72 120.40 118.96 1r5i s VAL 117 Ca 0.01 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1r5i s VAL 117 Cb -0.13 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1r5i s VAL 117 CO -0.05 -0.19 -0.15 0.21 -3.33 0.00 0.00 175.10 171.59 1r5i s ASN 118 N -1.40 3.66 0.03 3.54 2.47 -0.97 -4.99 114.94 117.28 1r5i s ASN 118 Ca -0.12 -0.87 0.05 0.00 0.42 0.00 0.00 52.86 52.35 1r5i s ASN 118 Cb -0.03 -1.53 -0.03 0.00 -1.45 0.00 0.00 41.25 38.21 1r5i s ASN 118 CO 0.05 -0.07 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.56 1r5i s VAL 119 N 1.25 3.33 -0.10 -5.21 1.01 -1.26 -1.38 120.40 118.04 1r5i s VAL 119 Ca 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1r5i s VAL 119 Cb -0.15 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1r5i s VAL 119 CO -0.10 0.33 0.21 -0.89 0.00 0.00 0.00 175.10 174.66 1r5i s THR 120 N -1.01 -0.24 0.11 3.92 2.01 -0.36 -4.97 115.64 115.09 1r5i s THR 120 Ca 0.17 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 1r5i s THR 120 Cb -0.11 -0.36 -0.07 0.00 0.01 0.00 0.00 72.50 71.97 1r5i s THR 120 CO 0.08 0.11 0.73 0.26 -0.69 0.00 0.00 174.62 175.11 1r5i s TRP 121 N 1.98 3.83 -0.05 4.92 0.52 -1.26 -0.86 118.94 128.02 1r5i s TRP 121 Ca -0.02 1.51 0.01 0.00 0.02 0.00 0.00 56.10 57.62 1r5i s TRP 121 Cb -0.12 -2.73 0.02 0.00 -1.15 0.00 0.00 33.47 29.49 1r5i s TRP 121 CO -0.07 0.45 -0.05 -0.51 0.02 0.00 0.00 176.95 176.79 1r5i s LEU 122 N -0.78 1.29 -0.25 2.99 1.43 -0.41 -0.94 118.68 122.01 1r5i s LEU 122 Ca 0.35 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1r5i s LEU 122 Cb -0.22 -0.49 0.04 0.00 0.03 0.00 0.00 46.19 45.56 1r5i s LEU 122 CO 0.24 -0.06 -0.10 -0.60 0.23 0.00 0.00 176.35 176.06 1r5i s ARG 123 N 1.01 2.51 -1.43 1.70 3.52 -0.08 -1.39 118.95 124.79 1r5i s ARG 123 Ca -0.10 -1.18 -0.05 0.00 -0.13 0.00 0.00 55.73 54.28 1r5i s ARG 123 Cb -0.14 -2.91 0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1r5i s ARG 123 CO -0.00 -0.49 0.69 0.09 -0.81 0.00 0.00 175.30 174.78 1r5i n ASN 124 N 4.54 -1.97 0.00 -2.12 3.02 -0.71 -1.50 115.26 116.51 1r5i n ASN 124 Ca -0.15 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1r5i n ASN 124 Cb 0.45 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 1r5i n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r5i n GLY 125 N -1.71 2.88 3.78 7.41 0.00 -1.26 -5.01 105.19 111.27 1r5i n GLY 125 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1r5i n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r5i s LYS 126 N -0.11 3.97 0.17 1.61 -2.85 -0.56 -5.04 119.74 116.92 1r5i s LYS 126 Ca 0.00 -0.13 -0.31 0.00 -1.00 0.00 0.00 55.97 54.53 1r5i s LYS 126 Cb 0.00 -3.35 -0.10 0.00 -2.06 0.00 0.00 37.83 32.33 1r5i s LYS 126 CO 0.00 0.45 1.53 -2.14 0.10 0.00 0.00 175.35 175.28 1r5i s PRO 127 N -0.08 4.24 -0.12 1.78 0.02 -1.26 -0.90 135.00 138.67 1r5i s PRO 127 Ca 0.12 2.32 -0.06 0.00 0.02 0.00 0.00 61.00 63.39 1r5i s PRO 127 Cb -0.12 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1r5i s PRO 127 CO 0.01 -0.56 0.11 0.08 -0.33 0.00 0.00 177.00 176.31 1r5i s VAL 128 N 0.97 5.24 0.00 3.83 1.01 -0.11 -4.90 120.40 126.44 1r5i s VAL 128 Ca 0.68 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1r5i s VAL 128 Cb -0.43 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1r5i s VAL 128 CO 0.33 0.60 0.00 0.41 0.00 0.00 0.00 175.10 176.44 1r5i n THR 129 N 2.15 0.00 -1.69 3.92 -1.04 -1.26 -4.43 114.28 111.93 1r5i n THR 129 Ca -0.19 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.38 1r5i n THR 129 Cb 0.54 -0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 1r5i n THR 129 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1r5i n THR 130 N -2.23 0.19 0.00 12.58 -2.24 -1.26 -2.17 114.28 119.14 1r5i n THR 130 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1r5i n THR 130 Cb 0.23 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 1r5i n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r5i n GLY 131 N 3.96 2.66 3.77 3.38 0.00 -1.26 -4.87 105.19 112.83 1r5i n GLY 131 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1r5i n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r5i s VAL 132 N -2.22 3.08 0.23 1.61 -7.23 -0.92 -4.49 120.40 110.46 1r5i s VAL 132 Ca 0.00 0.93 0.01 0.00 -1.81 0.00 0.00 61.98 61.11 1r5i s VAL 132 Cb 0.00 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1r5i s VAL 132 CO 0.00 0.11 0.16 -0.94 -0.31 0.00 0.00 175.10 174.11 1r5i s SER 133 N -1.04 0.48 0.13 4.85 1.04 -0.89 -4.99 113.70 113.28 1r5i s SER 133 Ca 0.56 -1.46 -0.20 0.00 0.48 0.00 0.00 55.95 55.33 1r5i s SER 133 Cb -0.32 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1r5i s SER 133 CO 0.41 -0.88 0.50 -1.83 0.98 0.00 0.00 173.24 172.41 1r5i s GLU 134 N -4.02 1.15 0.47 4.02 -1.05 -1.26 -0.46 118.70 117.56 1r5i s GLU 134 Ca 0.39 -0.56 0.04 0.00 -0.15 0.00 0.00 54.97 54.70 1r5i s GLU 134 Cb 0.06 0.52 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 1r5i s GLU 134 CO 0.15 -0.47 0.66 0.95 0.95 0.00 0.00 175.26 177.49 1r5i s THR 135 N -3.64 3.06 0.00 1.83 -4.23 -0.16 -5.00 115.64 107.50 1r5i s THR 135 Ca 0.01 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1r5i s THR 135 Cb 0.00 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1r5i s THR 135 CO -0.11 -0.05 0.00 1.33 -0.54 0.00 0.00 174.62 175.25 1r5i n VAL 136 N -2.06 0.00 -2.85 2.29 0.24 -1.26 -4.64 118.33 110.04 1r5i n VAL 136 Ca 0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 1r5i n VAL 136 Cb 0.59 -1.92 -0.04 0.00 -1.47 0.00 0.00 33.84 31.00 1r5i n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1r5i s PHE 137 N -0.60 2.97 0.20 6.34 0.08 -1.26 -4.66 117.98 121.04 1r5i s PHE 137 Ca 0.00 0.42 -0.20 0.00 0.12 0.00 0.00 56.93 57.28 1r5i s PHE 137 Cb 0.00 -3.83 -0.08 0.00 -0.57 0.00 0.00 43.02 38.54 1r5i s PHE 137 CO 0.00 -1.01 0.70 -0.51 -0.10 0.00 0.00 175.22 174.30 1r5i s LEU 138 N 3.59 4.38 0.74 -0.37 1.43 0.71 -4.89 118.68 124.27 1r5i s LEU 138 Ca 0.36 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 1r5i s LEU 138 Cb -0.11 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.67 1r5i s LEU 138 CO 0.24 0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.81 1r5i s PRO 139 N -1.83 2.54 0.02 1.29 0.04 -1.26 -0.16 135.00 135.63 1r5i s PRO 139 Ca 0.41 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1r5i s PRO 139 Cb -0.17 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1r5i s PRO 139 CO 0.21 -1.37 -0.03 1.03 0.04 0.00 0.00 177.00 176.88 1r5i s ARG 140 N -5.03 0.26 0.57 4.56 0.52 -1.12 -4.66 118.95 114.05 1r5i s ARG 140 Ca 0.59 -0.42 0.26 0.00 -0.52 0.00 0.00 55.73 55.64 1r5i s ARG 140 Cb -0.15 -0.02 1.57 0.00 0.52 0.00 0.00 34.95 36.87 1r5i s ARG 140 CO 0.55 -0.01 2.13 0.93 0.02 0.00 0.00 175.30 178.92 1r5i h GLU 141 N 5.17 0.00 -0.06 3.54 5.08 -2.00 0.44 114.58 126.76 1r5i h GLU 141 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1r5i h GLU 141 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1r5i h GLU 141 CO 0.45 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.06 1r5i n ASP 142 N -4.06 0.76 -0.91 1.42 5.68 -1.26 -4.91 116.55 113.26 1r5i n ASP 142 Ca 0.01 -1.47 -0.11 0.00 -0.50 0.00 0.00 54.79 52.72 1r5i n ASP 142 Cb 0.27 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.18 1r5i n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1r5i n HIS 143 N -0.32 -0.14 -3.03 2.11 8.25 0.16 -5.03 115.22 117.22 1r5i n HIS 143 Ca 0.17 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.61 1r5i n HIS 143 Cb 0.20 -2.14 0.01 0.00 1.12 0.00 0.00 29.99 29.17 1r5i n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r5i n LEU 144 N -1.28 0.00 -4.42 2.41 4.77 -1.26 -4.89 117.00 112.33 1r5i n LEU 144 Ca -0.11 -0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 55.40 1r5i n LEU 144 Cb 0.41 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 1r5i n LEU 144 CO 0.16 -0.51 -0.34 -0.36 -1.33 0.00 0.00 177.39 175.01 1r5i s PHE 145 N 0.58 1.89 0.10 -1.77 0.40 0.14 -2.79 117.98 116.54 1r5i s PHE 145 Ca 0.06 -0.80 0.07 0.00 -0.60 0.00 0.00 56.93 55.66 1r5i s PHE 145 Cb -0.00 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1r5i s PHE 145 CO 0.04 0.16 -0.17 1.03 0.70 0.00 0.00 175.22 176.98 1r5i s ARG 146 N -3.79 1.02 -0.10 0.44 0.52 0.78 -2.16 118.95 115.66 1r5i s ARG 146 Ca 0.31 -1.14 -0.23 0.00 -0.52 0.00 0.00 55.73 54.14 1r5i s ARG 146 Cb 0.05 -1.10 0.05 0.00 0.52 0.00 0.00 34.95 34.48 1r5i s ARG 146 CO 0.12 0.24 0.56 0.21 0.02 0.00 0.00 175.30 176.45 1r5i s LYS 147 N -2.13 0.83 -0.02 3.54 2.20 -0.39 -0.21 119.74 123.56 1r5i s LYS 147 Ca 0.05 0.34 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 1r5i s LYS 147 Cb -0.08 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1r5i s LYS 147 CO 0.04 -0.21 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.60 1r5i s PHE 148 N -0.70 1.48 -0.01 4.03 0.40 -1.26 -1.51 117.98 120.40 1r5i s PHE 148 Ca -0.08 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1r5i s PHE 148 Cb -0.03 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 1r5i s PHE 148 CO 0.05 -0.06 -0.20 -1.01 0.70 0.00 0.00 175.22 174.70 1r5i s HIS 149 N -0.24 1.78 0.02 0.36 3.76 -0.70 -0.98 115.29 119.30 1r5i s HIS 149 Ca 0.03 -0.34 0.08 0.00 -0.15 0.00 0.00 55.06 54.68 1r5i s HIS 149 Cb -0.08 -1.14 -0.02 0.00 1.11 0.00 0.00 32.58 32.45 1r5i s HIS 149 CO 0.00 -0.02 -0.24 0.71 -0.85 0.00 0.00 174.74 174.34 1r5i s TYR 150 N -0.48 2.10 -0.26 1.40 1.51 0.39 -0.94 117.35 121.06 1r5i s TYR 150 Ca 0.08 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1r5i s TYR 150 Cb -0.08 -1.28 0.09 0.00 -0.11 0.00 0.00 41.96 40.58 1r5i s TYR 150 CO -0.01 0.07 0.11 -1.17 -1.11 0.00 0.00 175.55 173.44 1r5i s LEU 151 N -1.00 0.81 0.29 -1.29 2.96 -0.43 -2.09 118.68 117.92 1r5i s LEU 151 Ca 0.10 -1.18 -0.29 0.00 -0.22 0.00 0.00 54.13 52.54 1r5i s LEU 151 Cb -0.09 -0.43 -0.10 0.00 0.50 0.00 0.00 46.19 46.07 1r5i s LEU 151 CO 0.01 -0.41 1.23 -2.84 -1.32 0.00 0.00 176.35 173.02 1r5i s PRO 152 N 2.02 4.47 0.17 0.98 0.02 -1.26 -0.49 135.00 140.91 1r5i s PRO 152 Ca 0.07 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 62.98 1r5i s PRO 152 Cb -0.16 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1r5i s PRO 152 CO -0.28 -0.04 0.41 -0.59 -0.33 0.00 0.00 177.00 176.17 1r5i s PHE 153 N -0.95 0.08 -0.41 6.54 -0.71 -0.38 -4.91 117.98 117.23 1r5i s PHE 153 Ca 0.48 -0.43 -0.08 0.00 -1.04 0.00 0.00 56.93 55.86 1r5i s PHE 153 Cb -0.36 0.19 0.08 0.00 -1.21 0.00 0.00 43.02 41.72 1r5i s PHE 153 CO 0.46 -0.81 0.24 -1.17 -1.34 0.00 0.00 175.22 172.61 1r5i s LEU 154 N -2.90 5.11 0.46 -1.99 2.96 -1.26 -1.08 118.68 119.98 1r5i s LEU 154 Ca 0.11 -1.55 -0.21 0.00 -0.22 0.00 0.00 54.13 52.26 1r5i s LEU 154 Cb 0.01 -1.96 -0.11 0.00 0.50 0.00 0.00 46.19 44.63 1r5i s LEU 154 CO -0.03 -0.53 0.57 -2.65 -1.32 0.00 0.00 176.35 172.39 1r5i n PRO 155 N 4.87 0.62 -3.59 0.98 -0.02 -1.26 -4.78 135.00 131.82 1r5i n PRO 155 Ca -0.09 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1r5i n PRO 155 Cb 0.43 -1.60 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 1r5i n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1r5i s SER 156 N -0.99 -0.34 0.00 2.55 1.04 -1.26 -2.07 113.70 112.64 1r5i s SER 156 Ca 0.65 -0.26 0.28 0.00 0.48 0.00 0.00 55.95 57.10 1r5i s SER 156 Cb -0.55 0.53 1.15 0.00 0.10 0.00 0.00 66.02 67.25 1r5i s SER 156 CO 0.57 -0.93 1.80 0.35 0.98 0.00 0.00 173.24 176.01 1r5i n THR 157 N -0.29 0.00 -1.80 2.02 -2.24 -1.26 -4.07 114.28 106.63 1r5i n THR 157 Ca -0.15 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1r5i n THR 157 Cb 0.64 0.18 0.11 0.00 -2.10 0.00 0.00 70.33 69.16 1r5i n THR 157 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1r5i n GLU 158 N -0.48 2.65 -4.05 -0.78 0.28 -1.26 -5.03 120.64 111.97 1r5i n GLU 158 Ca 0.17 -3.74 -0.15 0.00 -0.16 0.00 0.00 57.16 53.27 1r5i n GLU 158 Cb 0.30 -1.97 -0.15 0.00 1.43 0.00 0.00 31.44 31.05 1r5i n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1r5i s ASP 159 N -3.37 0.45 -0.13 -1.84 1.01 -1.26 -5.02 116.67 106.52 1r5i s ASP 159 Ca 0.45 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.66 1r5i s ASP 159 Cb 0.39 -0.10 0.02 0.00 1.01 0.00 0.00 42.92 44.24 1r5i s ASP 159 CO -0.01 0.01 -0.15 0.54 0.21 0.00 0.00 175.17 175.77 1r5i s VAL 160 N 0.19 1.54 0.12 -1.27 0.11 -1.26 -4.70 120.40 115.13 1r5i s VAL 160 Ca -0.02 -0.64 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 1r5i s VAL 160 Cb -0.05 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1r5i s VAL 160 CO -0.00 0.45 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.88 1r5i s TYR 161 N 1.21 2.86 -0.00 1.54 1.51 0.87 -1.74 117.35 123.59 1r5i s TYR 161 Ca -0.01 -0.10 -0.07 0.00 -1.01 0.00 0.00 57.07 55.87 1r5i s TYR 161 Cb -0.14 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1r5i s TYR 161 CO -0.06 0.48 0.14 -0.51 -1.11 0.00 0.00 175.55 174.49 1r5i s ASP 162 N -2.51 0.01 -0.24 2.29 1.11 -0.49 -0.48 116.67 116.37 1r5i s ASP 162 Ca 0.25 -0.16 -0.06 0.00 0.18 0.00 0.00 52.55 52.76 1r5i s ASP 162 Cb -0.11 0.22 -0.02 0.00 1.07 0.00 0.00 42.92 44.08 1r5i s ASP 162 CO 0.17 -0.33 0.04 0.00 1.18 0.00 0.00 175.17 176.22 1r5i s ARG 164 N 1.49 3.56 -0.13 0.00 3.52 -0.04 -1.58 118.95 125.77 1r5i s ARG 164 Ca 0.06 -0.57 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 1r5i s ARG 164 Cb -0.15 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1r5i s ARG 164 CO 0.02 -0.30 -0.11 0.08 -0.81 0.00 0.00 175.30 174.18 1r5i s VAL 165 N 1.65 3.30 -0.08 7.11 1.01 0.20 -1.23 120.40 132.35 1r5i s VAL 165 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1r5i s VAL 165 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1r5i s VAL 165 CO 0.07 0.53 -0.18 -1.61 0.00 0.00 0.00 175.10 173.90 1r5i s GLU 166 N 0.19 2.87 -0.16 2.72 2.02 -0.48 -0.50 118.70 125.37 1r5i s GLU 166 Ca -0.06 -0.78 -0.19 0.00 0.02 0.00 0.00 54.97 53.96 1r5i s GLU 166 Cb -0.15 -2.38 0.05 0.00 0.10 0.00 0.00 34.13 31.75 1r5i s GLU 166 CO 0.04 0.36 0.50 -1.58 0.02 0.00 0.00 175.26 174.61 1r5i s HIS 167 N -0.07 -0.53 0.65 1.61 2.46 -1.26 -2.30 115.29 115.86 1r5i s HIS 167 Ca -0.04 1.23 0.31 0.00 0.47 0.00 0.00 55.06 57.02 1r5i s HIS 167 Cb -0.14 0.20 1.68 0.00 -0.13 0.00 0.00 32.58 34.19 1r5i s HIS 167 CO 0.04 -0.31 1.97 -1.49 -2.47 0.00 0.00 174.74 172.48 1r5i h TRP 168 N 4.96 0.00 0.00 3.88 6.55 -1.95 0.21 115.95 129.60 1r5i h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1r5i h TRP 168 Cb 1.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 1r5i h TRP 168 CO 0.41 0.00 -0.17 0.41 -1.05 0.00 0.00 178.44 178.04 1r5i n GLY 169 N -1.26 -1.43 3.90 1.49 0.00 -1.26 -4.84 105.19 101.78 1r5i n GLY 169 Ca -0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1r5i n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r5i s LEU 170 N -3.11 4.27 -0.08 0.99 1.43 0.73 -4.35 118.68 118.56 1r5i s LEU 170 Ca 0.13 0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 53.62 1r5i s LEU 170 Cb 0.18 -3.30 -0.16 0.00 0.03 0.00 0.00 46.19 42.95 1r5i s LEU 170 CO 0.59 0.06 0.71 0.44 0.23 0.00 0.00 176.35 178.38 1r5i h ASP 171 N 2.86 -0.10 -2.96 2.29 5.19 -1.88 -3.46 116.42 118.35 1r5i h ASP 171 Ca -0.46 -0.47 -0.49 0.00 -0.62 0.00 0.00 57.03 54.99 1r5i h ASP 171 Cb 1.17 0.03 -0.14 0.00 0.18 0.00 0.00 39.33 40.56 1r5i h ASP 171 CO 0.72 0.56 -0.68 -1.83 -3.12 0.00 0.00 179.24 174.90 1r5i s GLU 172 N -2.80 1.54 0.38 3.56 -1.05 -1.26 -5.10 118.70 113.97 1r5i s GLU 172 Ca -0.12 -1.78 -0.27 0.00 -0.15 0.00 0.00 54.97 52.65 1r5i s GLU 172 Cb -0.01 -1.14 -0.11 0.00 -0.44 0.00 0.00 34.13 32.43 1r5i s GLU 172 CO 0.46 0.04 1.34 -2.30 0.95 0.00 0.00 175.26 175.74 1r5i n PRO 173 N -0.57 2.22 -3.21 -4.83 -0.02 -1.26 -4.92 135.00 122.40 1r5i n PRO 173 Ca -0.05 0.78 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 1r5i n PRO 173 Cb 0.63 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1r5i n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1r5i s LEU 174 N -1.55 4.54 -0.24 2.45 2.96 0.35 -4.93 118.68 122.27 1r5i s LEU 174 Ca 0.57 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.81 1r5i s LEU 174 Cb -0.52 -2.98 0.07 0.00 0.50 0.00 0.00 46.19 43.26 1r5i s LEU 174 CO 0.61 0.26 0.04 -0.22 -1.32 0.00 0.00 176.35 175.72 1r5i s LEU 175 N -1.12 1.81 -0.18 -0.68 0.20 -1.26 -0.63 118.68 116.82 1r5i s LEU 175 Ca 0.30 -1.16 -0.11 0.00 0.69 0.00 0.00 54.13 53.86 1r5i s LEU 175 Cb -0.20 -0.80 -0.05 0.00 -0.43 0.00 0.00 46.19 44.71 1r5i s LEU 175 CO 0.21 -0.33 0.17 -0.54 -0.29 0.00 0.00 176.35 175.57 1r5i s LYS 176 N 1.68 4.13 0.53 1.98 -0.14 -0.62 -4.93 119.74 122.39 1r5i s LYS 176 Ca 0.01 -0.13 -0.01 0.00 -1.36 0.00 0.00 55.97 54.48 1r5i s LYS 176 Cb -0.17 -3.40 0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1r5i s LYS 176 CO -0.13 0.33 0.78 -1.58 -0.76 0.00 0.00 175.35 174.00 1r5i s HIS 177 N 0.24 3.09 -0.30 3.18 2.46 -1.26 -0.91 115.29 121.79 1r5i s HIS 177 Ca 0.11 0.27 -0.13 0.00 0.47 0.00 0.00 55.06 55.78 1r5i s HIS 177 Cb -0.12 -2.62 0.18 0.00 -0.13 0.00 0.00 32.58 29.89 1r5i s HIS 177 CO 0.00 -0.71 1.00 -0.46 -2.47 0.00 0.00 174.74 172.10 1r5i s TRP 178 N -2.77 -0.65 -0.33 3.88 -0.00 0.37 -4.83 118.94 114.60 1r5i s TRP 178 Ca 0.53 0.81 0.16 0.00 -0.00 0.00 0.00 56.10 57.61 1r5i s TRP 178 Cb -0.10 0.27 0.45 0.00 -0.00 0.00 0.00 33.47 34.09 1r5i s TRP 178 CO 0.40 -0.35 1.06 -0.85 -0.00 0.00 0.00 176.95 177.22 1r5i n GLU 179 N 5.30 1.20 0.00 5.86 0.28 -1.26 -0.09 120.64 131.93 1r5i n GLU 179 Ca -0.07 -2.92 0.00 0.00 -0.16 0.00 0.00 57.16 54.02 1r5i n GLU 179 Cb 0.53 -0.97 0.00 0.00 1.43 0.00 0.00 31.44 32.43 1r5i n GLU 179 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1r5i n PHE 180 N -0.25 0.00 -0.30 -1.84 -0.00 -1.26 -5.03 117.46 108.78 1r5i n PHE 180 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1r5i n PHE 180 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.31 1r5i n PHE 180 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51