#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx8 n LYS 24 N 0.00 0.50 -3.39 0.11 5.02 -1.26 -4.90 118.16 114.25 3jx8 n LYS 24 Ca 0.00 0.22 -0.38 0.00 -2.02 0.00 0.00 58.31 56.12 3jx8 n LYS 24 Cb 0.00 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 3jx8 n LYS 24 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3jx8 s ARG 25 N -2.43 4.19 -0.13 1.97 3.52 -1.26 0.35 118.95 125.15 3jx8 s ARG 25 Ca -0.33 0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 3jx8 s ARG 25 Cb 0.12 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3jx8 s ARG 25 CO 0.42 -0.02 -0.16 0.42 -0.81 0.00 0.00 175.30 175.15 3jx8 s ILE 26 N 1.25 1.64 -0.06 4.11 -1.09 0.16 -4.96 121.20 122.25 3jx8 s ILE 26 Ca 0.19 -0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 3jx8 s ILE 26 Cb -0.15 -1.49 -0.05 0.00 -1.58 0.00 0.00 42.46 39.19 3jx8 s ILE 26 CO 0.08 0.47 0.31 -1.81 -1.23 0.00 0.00 174.94 172.75 3jx8 s ASP 27 N 1.11 6.62 0.30 3.58 1.01 -1.26 -0.79 116.67 127.25 3jx8 s ASP 27 Ca -0.03 0.74 -0.30 0.00 0.71 0.00 0.00 52.55 53.67 3jx8 s ASP 27 Cb -0.14 -2.18 -0.12 0.00 1.01 0.00 0.00 42.92 41.48 3jx8 s ASP 27 CO -0.05 0.32 1.48 0.61 0.21 0.00 0.00 175.17 177.74 3jx8 n GLY 28 N 2.12 1.06 0.05 0.21 0.00 0.13 -4.89 105.19 103.86 3jx8 n GLY 28 Ca -0.15 0.42 0.15 0.00 0.00 0.00 0.00 46.02 46.43 3jx8 n GLY 28 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jx8 n ASN 29 N 1.65 0.15 0.00 1.61 6.94 -1.26 -4.77 115.26 119.58 3jx8 n ASN 29 Ca 0.07 -1.13 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 3jx8 n ASN 29 Cb 0.36 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 3jx8 n ASN 29 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3jx8 n GLY 30 N 0.98 0.67 3.08 4.83 0.00 -1.26 -5.01 105.19 108.48 3jx8 n GLY 30 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3jx8 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx8 s ASN 31 N -2.20 5.13 0.23 1.61 0.01 -1.26 -5.05 114.94 113.40 3jx8 s ASN 31 Ca 0.00 -2.68 -0.30 0.00 -0.71 0.00 0.00 52.86 49.17 3jx8 s ASN 31 Cb 0.00 -1.82 -0.09 0.00 0.41 0.00 0.00 41.25 39.75 3jx8 s ASN 31 CO 0.00 -0.39 1.18 -2.84 -1.51 0.00 0.00 177.10 173.54 3jx8 s PRO 32 N 0.19 4.52 -0.03 -0.60 0.02 -1.26 -0.80 135.00 137.04 3jx8 s PRO 32 Ca 0.15 1.89 0.04 0.00 0.02 0.00 0.00 61.00 63.10 3jx8 s PRO 32 Cb -0.21 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 3jx8 s PRO 32 CO -0.03 -0.01 -0.16 -2.00 -0.33 0.00 0.00 177.00 174.47 3jx8 s GLU 33 N -0.73 1.52 -0.19 5.54 2.12 -0.38 -4.83 118.70 121.76 3jx8 s GLU 33 Ca 0.50 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 55.19 3jx8 s GLU 33 Cb -0.33 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.64 3jx8 s GLU 33 CO 0.39 0.27 0.06 0.99 -0.54 0.00 0.00 175.26 176.43 3jx8 s THR 34 N -0.09 4.67 -0.08 -1.70 2.01 -1.26 -2.01 115.64 117.18 3jx8 s THR 34 Ca -0.00 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.96 3jx8 s THR 34 Cb -0.09 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.31 3jx8 s THR 34 CO 0.01 0.44 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.06 3jx8 s ARG 35 N 0.56 2.43 -0.15 4.92 0.52 -0.15 -4.99 118.95 122.09 3jx8 s ARG 35 Ca 0.03 -0.70 -0.22 0.00 -0.52 0.00 0.00 55.73 54.32 3jx8 s ARG 35 Cb -0.13 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 3jx8 s ARG 35 CO 0.01 0.15 0.67 -1.21 0.02 0.00 0.00 175.30 174.94 3jx8 s GLU 36 N 0.37 4.29 -0.16 3.54 2.02 -1.26 -1.25 118.70 126.25 3jx8 s GLU 36 Ca -0.15 0.73 -0.02 0.00 0.02 0.00 0.00 54.97 55.56 3jx8 s GLU 36 Cb -0.16 -3.53 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 3jx8 s GLU 36 CO 0.06 -0.14 -0.09 0.42 0.02 0.00 0.00 175.26 175.52 3jx8 s ILE 37 N 1.56 3.25 0.06 -1.63 1.01 0.34 -4.99 121.20 120.79 3jx8 s ILE 37 Ca 0.32 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 60.09 3jx8 s ILE 37 Cb -0.16 -2.41 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 3jx8 s ILE 37 CO 0.13 0.49 1.38 -0.75 0.00 0.00 0.00 174.94 176.19 3jx8 s LYS 38 N 0.67 4.31 0.03 2.79 2.36 -1.26 -3.88 119.74 124.77 3jx8 s LYS 38 Ca -0.05 1.99 -0.03 0.00 -2.55 0.00 0.00 55.97 55.33 3jx8 s LYS 38 Cb -0.15 -3.41 -0.02 0.00 -1.05 0.00 0.00 37.83 33.20 3jx8 s LYS 38 CO 0.02 -0.48 0.04 0.96 1.55 0.00 0.00 175.35 177.44 3jx8 s ILE 39 N 1.71 0.14 0.65 5.43 -4.36 -1.26 -4.85 121.20 118.66 3jx8 s ILE 39 Ca 0.64 -1.15 0.02 0.00 -0.26 0.00 0.00 60.65 59.89 3jx8 s ILE 39 Cb -0.34 -0.82 0.10 0.00 1.25 0.00 0.00 42.46 42.65 3jx8 s ILE 39 CO 0.28 -0.64 0.90 -0.94 0.24 0.00 0.00 174.94 174.79 3jx8 s SER 40 N -2.06 4.69 0.66 4.36 1.04 -1.26 -4.78 113.70 116.35 3jx8 s SER 40 Ca -0.06 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.79 3jx8 s SER 40 Cb -0.02 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3jx8 s SER 40 CO -0.04 -1.61 1.23 -0.62 0.98 0.00 0.00 173.24 173.19 3jx8 s ASP 41 N -4.66 4.61 0.02 7.02 2.15 -1.26 -4.93 116.67 119.62 3jx8 s ASP 41 Ca 0.64 2.45 -0.01 0.00 0.43 0.00 0.00 52.55 56.05 3jx8 s ASP 41 Cb -0.06 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 3jx8 s ASP 41 CO 0.42 -1.99 0.00 -0.72 -0.17 0.00 0.00 175.17 172.71 3jx8 s TYR 42 N -1.69 0.22 -0.08 -5.34 -0.85 -1.26 -4.50 117.35 103.85 3jx8 s TYR 42 Ca 0.78 -0.45 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 3jx8 s TYR 42 Cb -0.32 -0.16 0.02 0.00 0.38 0.00 0.00 41.96 41.87 3jx8 s TYR 42 CO 0.40 -0.21 0.87 -0.40 -1.52 0.00 0.00 175.55 174.69 3jx8 n ASP 43 N 1.58 1.76 -3.78 -0.18 5.68 -0.42 -4.32 116.55 116.87 3jx8 n ASP 43 Ca -0.24 -1.70 -0.13 0.00 -0.50 0.00 0.00 54.79 52.22 3jx8 n ASP 43 Cb 0.55 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 40.42 3jx8 n ASP 43 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3jx8 s GLU 44 N -0.71 0.43 -0.07 0.11 2.12 -1.17 -0.62 118.70 118.79 3jx8 s GLU 44 Ca 0.01 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.54 3jx8 s GLU 44 Cb 0.01 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.61 3jx8 s GLU 44 CO 0.01 -0.08 -0.15 0.42 -0.54 0.00 0.00 175.26 174.92 3jx8 s ILE 45 N -0.38 1.34 -0.33 -3.70 1.01 -0.43 -0.47 121.20 118.24 3jx8 s ILE 45 Ca -0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3jx8 s ILE 45 Cb -0.03 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 41.29 3jx8 s ILE 45 CO 0.01 0.40 0.07 -0.89 0.00 0.00 0.00 174.94 174.54 3jx8 s THR 46 N 0.50 3.46 -0.21 2.92 2.01 0.75 -0.77 115.64 124.31 3jx8 s THR 46 Ca -0.14 -1.28 0.02 0.00 0.31 0.00 0.00 61.69 60.60 3jx8 s THR 46 Cb -0.15 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.39 3jx8 s THR 46 CO 0.04 -0.19 -0.16 0.12 -0.69 0.00 0.00 174.62 173.75 3jx8 s PHE 47 N 1.33 2.88 -0.14 4.92 5.36 0.04 -1.28 117.98 131.09 3jx8 s PHE 47 Ca -0.02 -1.84 0.02 0.00 -0.96 0.00 0.00 56.93 54.12 3jx8 s PHE 47 Cb -0.20 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 3jx8 s PHE 47 CO 0.01 -0.82 -0.19 0.08 -1.46 0.00 0.00 175.22 172.84 3jx8 s VAL 48 N 1.25 2.34 -4.80 3.12 1.01 -0.06 -1.12 120.40 122.14 3jx8 s VAL 48 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3jx8 s VAL 48 Cb -0.16 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3jx8 s VAL 48 CO -0.10 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3jx8 n GLY 49 N 4.01 0.97 0.99 4.51 0.00 -0.62 -4.27 105.19 110.78 3jx8 n GLY 49 Ca -0.19 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.02 3jx8 n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 50 N 2.45 3.05 -4.72 1.61 3.41 -1.26 -2.42 113.62 115.73 3jx8 n SER 50 Ca 0.00 -1.97 -0.33 0.00 -0.26 0.00 0.00 58.87 56.31 3jx8 n SER 50 Cb 0.00 -0.07 0.11 0.00 -0.26 0.00 0.00 64.21 63.99 3jx8 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx8 s ALA 51 N -1.86 1.97 -0.39 7.33 0.00 -1.26 -4.21 121.76 123.34 3jx8 s ALA 51 Ca 0.32 0.71 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 3jx8 s ALA 51 Cb 0.21 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3jx8 s ALA 51 CO 0.31 -2.08 0.85 -0.51 0.00 0.00 0.00 175.76 174.32 3jx8 s ASP 52 N -2.40 6.57 -0.24 0.00 1.01 -0.66 -0.83 116.67 120.12 3jx8 s ASP 52 Ca 0.70 0.33 -0.04 0.00 0.71 0.00 0.00 52.55 54.25 3jx8 s ASP 52 Cb -0.25 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 3jx8 s ASP 52 CO 0.50 -0.84 -0.02 0.12 0.21 0.00 0.00 175.17 175.14 3jx8 s PHE 53 N 3.34 3.01 -0.23 4.23 2.19 0.89 -0.88 117.98 130.53 3jx8 s PHE 53 Ca 0.34 -0.96 -0.09 0.00 0.33 0.00 0.00 56.93 56.56 3jx8 s PHE 53 Cb -0.12 -2.13 -0.04 0.00 -1.31 0.00 0.00 43.02 39.41 3jx8 s PHE 53 CO 0.20 -0.55 0.11 -1.21 1.83 0.00 0.00 175.22 175.59 3jx8 s GLU 54 N 1.48 3.92 0.04 10.12 2.02 0.18 -0.74 118.70 135.72 3jx8 s GLU 54 Ca 0.05 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.74 3jx8 s GLU 54 Cb -0.15 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 3jx8 s GLU 54 CO -0.02 0.04 -0.15 -0.47 0.02 0.00 0.00 175.26 174.68 3jx8 s TYR 55 N 1.04 1.35 0.01 1.61 5.04 -0.56 -1.23 117.35 124.60 3jx8 s TYR 55 Ca 0.05 -0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.30 3jx8 s TYR 55 Cb -0.14 -0.80 -0.01 0.00 0.35 0.00 0.00 41.96 41.37 3jx8 s TYR 55 CO 0.04 0.05 0.03 -1.21 -1.34 0.00 0.00 175.55 173.12 3jx8 s GLU 56 N -1.20 0.29 0.20 4.97 0.41 -1.09 -4.10 118.70 118.18 3jx8 s GLU 56 Ca 0.03 -0.40 -0.30 0.00 -0.41 0.00 0.00 54.97 53.89 3jx8 s GLU 56 Cb -0.08 0.11 -0.08 0.00 -1.78 0.00 0.00 34.13 32.30 3jx8 s GLU 56 CO 0.01 -0.06 1.04 -0.65 -0.49 0.00 0.00 175.26 175.12 3jx8 s GLN 57 N -1.09 4.67 -0.08 1.61 -0.21 -1.26 -3.09 119.66 120.21 3jx8 s GLN 57 Ca -0.12 1.64 -0.22 0.00 0.02 0.00 0.00 55.36 56.69 3jx8 s GLN 57 Cb -0.07 -3.28 0.05 0.00 1.00 0.00 0.00 33.01 30.71 3jx8 s GLN 57 CO -0.00 0.21 0.51 0.45 -2.12 0.00 0.00 175.29 174.34 3jx8 s SER 58 N -0.46 -0.47 0.00 5.90 0.15 0.67 -4.93 113.70 114.57 3jx8 s SER 58 Ca 0.46 0.60 0.29 0.00 0.70 0.00 0.00 55.95 58.00 3jx8 s SER 58 Cb -0.28 0.62 1.21 0.00 -1.71 0.00 0.00 66.02 65.85 3jx8 s SER 58 CO 0.35 -0.43 1.86 0.47 1.20 0.00 0.00 173.24 176.68 3jx8 n ASP 59 N 1.57 0.31 -4.50 5.45 8.00 -1.26 -3.52 116.55 122.59 3jx8 n ASP 59 Ca -0.18 -0.28 -0.29 0.00 0.71 0.00 0.00 54.79 54.75 3jx8 n ASP 59 Cb 0.56 -0.15 0.21 0.00 -0.02 0.00 0.00 41.12 41.72 3jx8 n ASP 59 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3jx8 s LYS 60 N -2.64 -0.26 0.51 -1.24 1.02 -1.26 -4.98 119.74 110.89 3jx8 s LYS 60 Ca 0.24 0.48 -0.23 0.00 0.02 0.00 0.00 55.97 56.48 3jx8 s LYS 60 Cb 0.20 -1.66 -0.06 0.00 -0.52 0.00 0.00 37.83 35.78 3jx8 s LYS 60 CO 0.51 -3.19 1.37 0.00 -0.92 0.00 0.00 175.35 173.11 3jx8 n ALA 61 N -4.49 1.69 -1.71 5.17 0.00 -1.26 -4.84 120.51 115.07 3jx8 n ALA 61 Ca 0.05 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 3jx8 n ALA 61 Cb 0.57 -2.36 0.06 0.00 0.00 0.00 0.00 19.45 17.73 3jx8 n ALA 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3jx8 n PRO 62 N -0.66 1.18 -3.74 0.00 -0.04 -1.26 -4.92 135.00 125.56 3jx8 n PRO 62 Ca 0.08 0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3jx8 n PRO 62 Cb 0.43 -2.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.30 3jx8 n PRO 62 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3jx8 s TYR 63 N -1.39 -0.43 -0.04 0.54 5.04 -1.10 -4.80 117.35 115.17 3jx8 s TYR 63 Ca 0.80 1.03 -0.00 0.00 -2.44 0.00 0.00 57.07 56.46 3jx8 s TYR 63 Cb -0.39 0.15 0.03 0.00 0.35 0.00 0.00 41.96 42.10 3jx8 s TYR 63 CO 0.43 -0.22 0.00 -1.17 -1.34 0.00 0.00 175.55 173.25 3jx8 s LEU 64 N 0.45 0.95 -0.03 6.97 2.96 -1.25 -1.67 118.68 127.06 3jx8 s LEU 64 Ca -0.02 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3jx8 s LEU 64 Cb -0.04 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.37 3jx8 s LEU 64 CO -0.02 -0.13 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.22 3jx8 s SER 65 N 1.33 1.46 -0.08 3.68 0.15 0.07 -0.51 113.70 119.80 3jx8 s SER 65 Ca -0.05 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.38 3jx8 s SER 65 Cb -0.13 -0.43 0.01 0.00 -1.71 0.00 0.00 66.02 63.76 3jx8 s SER 65 CO -0.02 0.08 -0.12 -0.69 1.20 0.00 0.00 173.24 173.68 3jx8 s VAL 66 N 0.23 1.20 -0.20 4.45 1.01 -0.38 -0.87 120.40 125.85 3jx8 s VAL 66 Ca -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3jx8 s VAL 66 Cb -0.10 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3jx8 s VAL 66 CO 0.01 0.38 -0.11 -0.89 0.00 0.00 0.00 175.10 174.48 3jx8 s THR 67 N 0.88 2.81 0.14 3.92 2.01 0.58 -0.97 115.64 125.00 3jx8 s THR 67 Ca -0.10 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 3jx8 s THR 67 Cb -0.15 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 70.16 3jx8 s THR 67 CO 0.01 0.48 0.45 -0.51 -0.69 0.00 0.00 174.62 174.36 3jx8 s ILE 68 N 1.30 0.05 0.17 1.82 2.07 -0.85 -1.30 121.20 124.47 3jx8 s ILE 68 Ca 0.04 -0.57 -0.33 0.00 -1.41 0.00 0.00 60.65 58.38 3jx8 s ILE 68 Cb -0.14 -1.25 -0.16 0.00 0.13 0.00 0.00 42.46 41.04 3jx8 s ILE 68 CO -0.06 -0.24 1.11 0.47 -1.91 0.00 0.00 174.94 174.31 3jx8 n ASP 69 N -0.27 1.11 -0.15 4.50 9.92 -1.23 -1.24 116.55 129.20 3jx8 n ASP 69 Ca -0.15 1.14 0.07 0.00 -0.53 0.00 0.00 54.79 55.32 3jx8 n ASP 69 Cb 0.64 -1.19 0.38 0.00 -0.64 0.00 0.00 41.12 40.30 3jx8 n ASP 69 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 3jx8 h GLU 70 N 3.11 0.67 0.00 -1.24 4.11 -1.29 -0.72 114.58 119.23 3jx8 h GLU 70 Ca -0.42 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3jx8 h GLU 70 Cb 1.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3jx8 h GLU 70 CO 0.68 0.45 0.00 -2.95 0.07 0.00 0.00 179.01 177.26 3jx8 h ASN 71 N 0.69 0.00 1.21 3.06 -1.07 -1.88 -3.23 115.58 114.37 3jx8 h ASN 71 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.65 3jx8 h ASN 71 Cb 0.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 3jx8 h ASN 71 CO -0.09 0.00 -0.60 -0.07 0.07 0.00 0.00 177.43 176.74 3jx8 h LEU 72 N 0.00 0.00 -1.22 6.14 3.38 -1.47 -3.30 115.31 118.84 3jx8 h LEU 72 Ca 0.00 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.04 3jx8 h LEU 72 Cb 0.44 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3jx8 h LEU 72 CO 0.00 0.03 0.58 -0.26 0.09 0.00 0.00 178.44 178.88 3jx8 h PHE 73 N 0.00 0.90 -0.03 1.13 0.04 -1.65 -0.81 116.94 116.52 3jx8 h PHE 73 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3jx8 h PHE 73 Cb 0.91 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 3jx8 h PHE 73 CO 0.00 0.35 0.10 -0.44 -0.60 0.00 0.00 178.31 177.72 3jx8 h ASP 74 N 0.78 0.00 -0.52 2.17 3.32 -1.81 -2.28 116.42 118.08 3jx8 h ASP 74 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3jx8 h ASP 74 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3jx8 h ASP 74 CO -0.21 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.09 3jx8 n TYR 75 N -3.26 0.74 -5.04 4.55 4.02 -0.31 -4.98 117.16 112.87 3jx8 n TYR 75 Ca -0.02 -0.51 -0.30 0.00 -0.01 0.00 0.00 57.90 57.06 3jx8 n TYR 75 Cb 0.18 -0.03 -0.15 0.00 -0.02 0.00 0.00 39.34 39.31 3jx8 n TYR 75 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3jx8 s LEU 76 N -1.08 2.11 -0.16 7.72 2.96 -0.86 -0.18 118.68 129.19 3jx8 s LEU 76 Ca 0.36 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 3jx8 s LEU 76 Cb 0.19 -1.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 3jx8 s LEU 76 CO 0.23 0.27 0.23 -0.69 -1.32 0.00 0.00 176.35 175.08 3jx8 s VAL 77 N -0.70 5.35 -0.32 1.68 1.01 0.52 -4.78 120.40 123.16 3jx8 s VAL 77 Ca 0.10 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 3jx8 s VAL 77 Cb -0.10 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 32.86 3jx8 s VAL 77 CO 0.01 0.44 0.25 0.42 0.00 0.00 0.00 175.10 176.22 3jx8 s THR 78 N 0.16 -0.19 0.21 3.92 -4.23 -1.24 -1.94 115.64 112.34 3jx8 s THR 78 Ca 0.14 -0.91 -0.22 0.00 -1.18 0.00 0.00 61.69 59.52 3jx8 s THR 78 Cb -0.12 -0.95 0.05 0.00 1.34 0.00 0.00 72.50 72.81 3jx8 s THR 78 CO 0.03 -0.67 0.67 -1.83 -0.54 0.00 0.00 174.62 172.28 3jx8 s GLU 79 N 1.85 1.52 -0.16 3.99 -1.05 -0.57 -5.01 118.70 119.27 3jx8 s GLU 79 Ca 0.12 -0.72 -0.04 0.00 -0.15 0.00 0.00 54.97 54.18 3jx8 s GLU 79 Cb -0.17 0.59 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 3jx8 s GLU 79 CO -0.21 -0.68 -0.01 0.08 0.95 0.00 0.00 175.26 175.38 3jx8 s VAL 80 N -3.81 4.16 -0.15 1.83 1.01 -1.26 -0.38 120.40 121.80 3jx8 s VAL 80 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3jx8 s VAL 80 Cb -0.03 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.57 3jx8 s VAL 80 CO -0.03 0.49 0.35 -0.70 0.00 0.00 0.00 175.10 175.22 3jx8 s GLU 81 N 0.26 0.31 -1.36 2.72 2.12 -0.52 -4.87 118.70 117.37 3jx8 s GLU 81 Ca -0.01 0.73 -0.05 0.00 0.36 0.00 0.00 54.97 56.00 3jx8 s GLU 81 Cb -0.13 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.24 3jx8 s GLU 81 CO 0.02 -0.18 0.71 0.41 -0.54 0.00 0.00 175.26 175.69 3jx8 n GLY 82 N 4.43 -0.40 2.46 -1.50 0.00 -1.26 -2.15 105.19 106.77 3jx8 n GLY 82 Ca -0.21 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 3jx8 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx8 n GLY 83 N -1.58 1.40 3.10 -0.02 0.00 -1.26 -4.99 105.19 101.84 3jx8 n GLY 83 Ca -0.07 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 3jx8 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jx8 s THR 84 N -2.43 1.79 0.02 2.61 2.01 -0.91 -1.30 115.64 117.42 3jx8 s THR 84 Ca 0.00 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 3jx8 s THR 84 Cb 0.00 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 3jx8 s THR 84 CO 0.00 0.50 1.17 -0.22 -0.69 0.00 0.00 174.62 175.38 3jx8 s LEU 85 N 1.01 4.35 -0.18 4.42 2.96 0.39 -1.43 118.68 130.18 3jx8 s LEU 85 Ca -0.04 1.92 -0.00 0.00 -0.22 0.00 0.00 54.13 55.78 3jx8 s LEU 85 Cb -0.15 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.01 3jx8 s LEU 85 CO -0.04 -0.47 -0.07 -0.54 -1.32 0.00 0.00 176.35 173.91 3jx8 s LYS 86 N 1.36 1.63 -0.19 1.98 1.02 0.49 -0.17 119.74 125.86 3jx8 s LYS 86 Ca 0.57 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.89 3jx8 s LYS 86 Cb -0.27 -2.19 0.05 0.00 -0.52 0.00 0.00 37.83 34.90 3jx8 s LYS 86 CO 0.27 -0.45 -0.01 0.42 -0.92 0.00 0.00 175.35 174.66 3jx8 s ILE 87 N 1.54 0.93 -0.04 2.17 1.01 -0.41 -1.51 121.20 124.91 3jx8 s ILE 87 Ca -0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 3jx8 s ILE 87 Cb -0.16 -1.27 0.10 0.00 0.01 0.00 0.00 42.46 41.15 3jx8 s ILE 87 CO -0.08 -0.06 0.89 -0.72 0.00 0.00 0.00 174.94 174.97 3jx8 s TYR 88 N 1.68 -0.38 0.41 3.97 -0.85 -0.82 -0.88 117.35 120.50 3jx8 s TYR 88 Ca -0.01 0.36 -0.25 0.00 -0.52 0.00 0.00 57.07 56.65 3jx8 s TYR 88 Cb -0.17 0.51 -0.08 0.00 0.38 0.00 0.00 41.96 42.60 3jx8 s TYR 88 CO -0.07 -0.52 1.28 -2.14 -1.52 0.00 0.00 175.55 172.58 3jx8 s PRO 89 N -2.59 3.93 0.77 -3.49 0.02 -1.26 -0.35 135.00 132.03 3jx8 s PRO 89 Ca 0.02 2.09 -0.14 0.00 0.02 0.00 0.00 61.00 63.00 3jx8 s PRO 89 Cb -0.01 -2.70 0.06 0.00 0.02 0.00 0.00 34.50 31.88 3jx8 s PRO 89 CO -0.06 -0.50 1.19 0.15 -0.33 0.00 0.00 177.00 177.45 3jx8 s LYS 90 N -2.31 1.88 0.58 5.54 1.02 0.74 -4.71 119.74 122.49 3jx8 s LYS 90 Ca 0.58 1.69 -0.20 0.00 0.02 0.00 0.00 55.97 58.07 3jx8 s LYS 90 Cb -0.36 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 3jx8 s LYS 90 CO 0.46 -2.02 1.25 -1.12 -0.92 0.00 0.00 175.35 173.01 3jx8 s SER 91 N -2.23 5.16 0.14 2.83 0.01 -1.26 -2.00 113.70 116.35 3jx8 s SER 91 Ca 0.72 2.50 -0.31 0.00 1.31 0.00 0.00 55.95 60.17 3jx8 s SER 91 Cb -0.27 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.25 3jx8 s SER 91 CO 0.49 -1.62 1.53 -0.63 0.41 0.00 0.00 173.24 173.41 3jx8 s ILE 92 N -1.49 2.86 -0.06 1.44 1.01 -0.44 -4.77 121.20 119.75 3jx8 s ILE 92 Ca 0.76 0.59 -0.36 0.00 0.00 0.00 0.00 60.65 61.64 3jx8 s ILE 92 Cb -0.34 -3.38 -0.14 0.00 0.01 0.00 0.00 42.46 38.61 3jx8 s ILE 92 CO 0.37 0.04 1.67 1.17 0.00 0.00 0.00 174.94 178.19 3jx8 n LYS 93 N 4.16 1.66 -1.43 2.79 4.81 -1.26 0.05 118.16 128.94 3jx8 n LYS 93 Ca 0.13 0.60 -0.15 0.00 -0.87 0.00 0.00 58.31 58.03 3jx8 n LYS 93 Cb 0.40 -2.34 -0.06 0.00 0.02 0.00 0.00 35.03 33.04 3jx8 n LYS 93 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3jx8 n LYS 94 N 4.81 -1.11 -0.18 1.64 4.76 -1.26 -4.87 118.16 121.94 3jx8 n LYS 94 Ca 0.22 1.01 0.11 0.00 -2.87 0.00 0.00 58.31 56.78 3jx8 n LYS 94 Cb 0.22 -5.17 0.26 0.00 -1.84 0.00 0.00 35.03 28.50 3jx8 n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jx8 n GLY 95 N -0.99 1.38 2.30 0.72 0.00 0.11 -4.97 105.19 103.74 3jx8 n GLY 95 Ca -0.15 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 3jx8 n GLY 95 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3jx8 n PHE 96 N 1.17 -0.61 -2.06 1.61 3.72 -1.26 -1.26 117.46 118.76 3jx8 n PHE 96 Ca 0.19 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.41 3jx8 n PHE 96 Cb 0.52 -3.05 -0.04 0.00 -0.94 0.00 0.00 39.48 35.98 3jx8 n PHE 96 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3jx8 n ASN 97 N -0.78 -5.07 0.06 4.37 3.02 -1.26 -4.89 115.26 110.72 3jx8 n ASN 97 Ca -0.17 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.72 3jx8 n ASN 97 Cb 0.61 -4.35 0.44 0.00 -0.61 0.00 0.00 39.78 35.87 3jx8 n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3jx8 n ASN 98 N -1.59 0.52 -3.71 6.41 3.02 -0.39 -4.94 115.26 114.57 3jx8 n ASN 98 Ca -0.20 0.46 -0.03 0.00 -0.03 0.00 0.00 54.58 54.77 3jx8 n ASN 98 Cb 0.64 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 3jx8 n ASN 98 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3jx8 s ASN 99 N -3.90 -0.18 0.27 6.41 2.20 -1.26 -5.10 114.94 113.38 3jx8 s ASN 99 Ca 0.11 -0.33 0.03 0.00 -0.94 0.00 0.00 52.86 51.73 3jx8 s ASN 99 Cb 0.15 0.43 -0.06 0.00 -2.00 0.00 0.00 41.25 39.78 3jx8 s ASN 99 CO 0.59 -0.79 0.06 -0.94 -2.94 0.00 0.00 177.10 173.08 3jx8 s SER 100 N -2.90 1.69 0.37 3.54 1.04 -1.26 -1.33 113.70 114.85 3jx8 s SER 100 Ca 0.12 -1.34 -0.27 0.00 0.48 0.00 0.00 55.95 54.93 3jx8 s SER 100 Cb -0.01 0.05 -0.10 0.00 0.10 0.00 0.00 66.02 66.07 3jx8 s SER 100 CO 0.00 -0.64 1.30 -0.31 0.98 0.00 0.00 173.24 174.57 3jx8 s TYR 101 N -3.54 2.94 -0.63 5.02 2.02 -0.84 -4.74 117.35 117.57 3jx8 s TYR 101 Ca 0.35 1.41 -0.20 0.00 -0.37 0.00 0.00 57.07 58.27 3jx8 s TYR 101 Cb 0.08 -3.67 0.10 0.00 -0.40 0.00 0.00 41.96 38.07 3jx8 s TYR 101 CO 0.13 -1.96 0.79 0.34 -1.57 0.00 0.00 175.55 173.28 3jx8 s ASP 102 N -0.62 6.21 -0.03 2.29 2.15 0.15 -4.85 116.67 121.97 3jx8 s ASP 102 Ca 0.53 -1.38 -0.19 0.00 0.43 0.00 0.00 52.55 51.94 3jx8 s ASP 102 Cb -0.39 -2.33 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 3jx8 s ASP 102 CO 0.51 -1.18 0.52 -0.76 -0.17 0.00 0.00 175.17 174.08 3jx8 s LEU 103 N 2.97 4.40 -0.69 -1.34 1.43 -1.26 -0.67 118.68 123.52 3jx8 s LEU 103 Ca 0.15 1.03 0.05 0.00 -1.03 0.00 0.00 54.13 54.33 3jx8 s LEU 103 Cb -0.21 -2.79 0.17 0.00 0.03 0.00 0.00 46.19 43.39 3jx8 s LEU 103 CO 0.06 0.13 0.50 0.54 0.23 0.00 0.00 176.35 177.81 3jx8 n ARG 104 N 2.74 1.77 -1.97 1.70 5.12 0.03 -4.94 116.66 121.11 3jx8 n ARG 104 Ca -0.09 -4.42 -0.33 0.00 -1.93 0.00 0.00 57.85 51.09 3jx8 n ARG 104 Cb 0.51 -2.25 0.02 0.00 -1.16 0.00 0.00 32.46 29.59 3jx8 n ARG 104 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3jx8 s PRO 105 N -1.43 3.19 0.07 5.56 0.04 -1.26 -0.69 135.00 140.48 3jx8 s PRO 105 Ca 0.26 1.25 0.17 0.00 0.04 0.00 0.00 61.00 62.72 3jx8 s PRO 105 Cb -0.03 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 3jx8 s PRO 105 CO -0.17 -0.92 0.86 1.79 0.04 0.00 0.00 177.00 178.60 3jx8 h THR 106 N 0.33 0.50 -3.54 1.26 1.35 -1.97 -3.46 112.91 107.38 3jx8 h THR 106 Ca -0.47 -1.98 -0.22 0.00 -0.55 0.00 0.00 66.41 63.20 3jx8 h THR 106 Cb 1.23 2.04 -0.28 0.00 -1.73 0.00 0.00 68.15 69.41 3jx8 h THR 106 CO 0.57 0.28 -0.64 -0.69 -0.25 0.00 0.00 175.52 174.79 3jx8 s VAL 107 N -2.93 -0.00 -0.26 6.82 1.01 -1.26 -5.06 120.40 118.71 3jx8 s VAL 107 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3jx8 s VAL 107 Cb 0.09 -0.11 0.15 0.00 0.00 0.00 0.00 36.38 36.50 3jx8 s VAL 107 CO 0.81 0.01 0.42 -0.47 0.00 0.00 0.00 175.10 175.86 3jx8 s TYR 108 N 0.12 -0.99 0.00 5.22 5.04 -1.25 -3.53 117.35 121.96 3jx8 s TYR 108 Ca -0.01 0.85 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 3jx8 s TYR 108 Cb -0.01 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.35 3jx8 s TYR 108 CO -0.00 -0.80 -0.06 0.15 -1.34 0.00 0.00 175.55 173.49 3jx8 s LYS 109 N 2.59 0.50 -0.02 4.97 1.02 -0.42 -1.66 119.74 126.72 3jx8 s LYS 109 Ca 0.13 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.86 3jx8 s LYS 109 Cb -0.15 -0.46 0.01 0.00 -0.52 0.00 0.00 37.83 36.71 3jx8 s LYS 109 CO -0.20 0.12 -0.08 0.42 -0.92 0.00 0.00 175.35 174.70 3jx8 s ILE 110 N -0.29 0.68 -0.08 2.17 1.01 -0.06 -0.31 121.20 124.33 3jx8 s ILE 110 Ca 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3jx8 s ILE 110 Cb -0.03 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.83 3jx8 s ILE 110 CO -0.00 0.22 -0.15 -0.54 0.00 0.00 0.00 174.94 174.47 3jx8 s LYS 111 N 0.26 2.00 0.05 2.79 3.01 -0.05 -0.65 119.74 127.15 3jx8 s LYS 111 Ca -0.04 -0.51 -0.14 0.00 -1.01 0.00 0.00 55.97 54.27 3jx8 s LYS 111 Cb -0.08 -1.63 0.02 0.00 -1.01 0.00 0.00 37.83 35.13 3jx8 s LYS 111 CO 0.00 0.03 0.32 0.45 0.51 0.00 0.00 175.35 176.67 3jx8 s SER 112 N 0.68 -0.14 0.04 2.83 0.15 -0.37 -0.75 113.70 116.13 3jx8 s SER 112 Ca -0.14 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 3jx8 s SER 112 Cb -0.16 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 3jx8 s SER 112 CO 0.04 -0.65 -0.03 0.54 1.20 0.00 0.00 173.24 174.34 3jx8 s ASN 113 N -2.17 0.37 0.36 5.45 4.22 -0.67 -2.66 114.94 119.84 3jx8 s ASN 113 Ca -0.04 -0.76 -0.00 0.00 -2.14 0.00 0.00 52.86 49.92 3jx8 s ASN 113 Cb -0.00 0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.69 3jx8 s ASN 113 CO -0.04 -0.46 0.48 -0.94 -2.04 0.00 0.00 177.10 174.09 3jx8 s SER 114 N -2.23 1.15 0.14 3.54 1.04 -1.18 -2.69 113.70 113.47 3jx8 s SER 114 Ca -0.04 -1.58 -0.11 0.00 0.48 0.00 0.00 55.95 54.70 3jx8 s SER 114 Cb -0.01 0.68 -0.06 0.00 0.10 0.00 0.00 66.02 66.73 3jx8 s SER 114 CO -0.06 -1.32 1.44 0.11 0.98 0.00 0.00 173.24 174.40 3jx8 h LYS 115 N 2.07 0.91 -2.57 4.02 1.79 -1.75 0.19 116.57 121.23 3jx8 h LYS 115 Ca -0.28 -0.53 -0.10 0.00 -2.18 0.00 0.00 60.65 57.57 3jx8 h LYS 115 Cb 1.24 0.04 -0.23 0.00 -1.58 0.00 0.00 32.23 31.70 3jx8 h LYS 115 CO 0.38 1.17 -0.14 -2.00 -1.08 0.00 0.00 179.45 177.78 3jx8 s GLU 116 N -4.27 0.60 -0.37 3.15 2.12 -1.26 -4.13 118.70 114.53 3jx8 s GLU 116 Ca -0.11 0.60 -0.03 0.00 0.36 0.00 0.00 54.97 55.79 3jx8 s GLU 116 Cb 0.11 0.29 0.09 0.00 0.26 0.00 0.00 34.13 34.87 3jx8 s GLU 116 CO 0.89 -0.09 0.14 -1.17 -0.54 0.00 0.00 175.26 174.49 3jx8 s LEU 117 N 0.08 4.80 -0.00 2.70 2.96 -1.26 -4.01 118.68 123.94 3jx8 s LEU 117 Ca -0.01 -1.74 -0.13 0.00 -0.22 0.00 0.00 54.13 52.03 3jx8 s LEU 117 Cb -0.03 -1.80 -0.33 0.00 0.50 0.00 0.00 46.19 44.52 3jx8 s LEU 117 CO 0.01 -0.45 0.86 0.11 -1.32 0.00 0.00 176.35 175.57 3jx8 h LYS 118 N 8.05 0.46 -3.01 1.98 1.57 -1.09 -3.43 116.57 121.11 3jx8 h LYS 118 Ca -0.16 -0.79 -0.19 0.00 -1.87 0.00 0.00 60.65 57.63 3jx8 h LYS 118 Cb 1.05 0.30 -0.30 0.00 0.08 0.00 0.00 32.23 33.36 3jx8 h LYS 118 CO 0.64 1.38 -0.48 -2.00 -0.57 0.00 0.00 179.45 178.42 3jx8 s GLU 119 N -2.59 0.21 -0.15 3.15 2.12 -1.13 -0.25 118.70 120.05 3jx8 s GLU 119 Ca -0.12 0.55 -0.00 0.00 0.36 0.00 0.00 54.97 55.75 3jx8 s GLU 119 Cb 0.05 -0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.31 3jx8 s GLU 119 CO 0.90 -0.17 -0.13 -1.17 -0.54 0.00 0.00 175.26 174.16 3jx8 s LEU 120 N 1.32 2.64 -0.27 2.70 2.96 0.12 -1.31 118.68 126.85 3jx8 s LEU 120 Ca -0.09 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3jx8 s LEU 120 Cb -0.10 -1.61 0.06 0.00 0.50 0.00 0.00 46.19 45.04 3jx8 s LEU 120 CO -0.09 0.11 -0.08 0.20 -1.32 0.00 0.00 176.35 175.17 3jx8 s ASN 121 N 0.68 4.54 -0.04 3.68 0.01 0.05 -0.14 114.94 123.72 3jx8 s ASN 121 Ca -0.06 -1.40 0.05 0.00 -0.71 0.00 0.00 52.86 50.73 3jx8 s ASN 121 Cb -0.15 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.92 3jx8 s ASN 121 CO 0.02 -0.21 -0.19 0.28 -1.51 0.00 0.00 177.10 175.49 3jx8 s THR 122 N 1.12 1.59 -0.03 1.60 -1.32 0.16 -0.78 115.64 117.97 3jx8 s THR 122 Ca -0.08 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 3jx8 s THR 122 Cb -0.20 -1.35 0.03 0.00 -1.51 0.00 0.00 72.50 69.47 3jx8 s THR 122 CO -0.04 0.45 0.01 -0.69 -2.21 0.00 0.00 174.62 172.13 3jx8 s VAL 123 N -0.09 0.15 -3.06 5.08 1.01 -0.28 -1.69 120.40 121.53 3jx8 s VAL 123 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3jx8 s VAL 123 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3jx8 s VAL 123 CO 0.02 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3jx8 n GLY 124 N 4.30 0.80 0.93 4.51 0.00 -0.64 -1.58 105.19 113.51 3jx8 n GLY 124 Ca -0.23 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 43.85 3jx8 n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 125 N 0.00 3.23 -2.61 1.61 3.41 -1.23 -1.15 113.62 116.88 3jx8 n SER 125 Ca 0.00 -1.94 -0.07 0.00 -0.26 0.00 0.00 58.87 56.60 3jx8 n SER 125 Cb 0.00 -0.28 0.05 0.00 -0.26 0.00 0.00 64.21 63.71 3jx8 n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 126 N 1.06 -0.31 2.90 5.00 0.00 -1.02 -4.33 105.19 108.50 3jx8 n GLY 126 Ca 0.16 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 3jx8 n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jx8 s SER 127 N -2.24 1.07 -0.20 1.61 0.15 -0.01 -1.12 113.70 112.97 3jx8 s SER 127 Ca 0.20 -0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.70 3jx8 s SER 127 Cb -0.01 -0.49 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 3jx8 s SER 127 CO 0.13 -0.05 -0.15 0.12 1.20 0.00 0.00 173.24 174.50 3jx8 s PHE 128 N 0.93 2.89 -0.08 3.44 2.19 -0.42 -0.08 117.98 126.86 3jx8 s PHE 128 Ca -0.11 -1.57 0.03 0.00 0.33 0.00 0.00 56.93 55.61 3jx8 s PHE 128 Cb -0.14 -1.97 0.01 0.00 -1.31 0.00 0.00 43.02 39.60 3jx8 s PHE 128 CO 0.00 -0.76 -0.16 0.42 1.83 0.00 0.00 175.22 176.55 3jx8 s ILE 129 N 1.31 1.45 -0.16 3.12 1.01 0.08 -0.40 121.20 127.61 3jx8 s ILE 129 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 3jx8 s ILE 129 Cb -0.14 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 3jx8 s ILE 129 CO -0.09 0.43 -0.12 -0.63 0.00 0.00 0.00 174.94 174.52 3jx8 s ILE 130 N 0.59 2.99 -0.04 2.92 1.01 -0.45 -1.50 121.20 126.72 3jx8 s ILE 130 Ca -0.15 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 59.91 3jx8 s ILE 130 Cb -0.16 -2.29 -0.10 0.00 0.01 0.00 0.00 42.46 39.92 3jx8 s ILE 130 CO 0.05 0.50 0.16 -1.20 0.00 0.00 0.00 174.94 174.45 3jx8 n SER 131 N 4.02 3.14 -4.95 3.58 7.64 -1.26 0.08 113.62 125.87 3jx8 n SER 131 Ca -0.19 -0.06 -0.24 0.00 1.01 0.00 0.00 58.87 59.39 3jx8 n SER 131 Cb 0.52 1.28 -0.02 0.00 -1.01 0.00 0.00 64.21 64.98 3jx8 n SER 131 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3jx8 s LYS 132 N -2.39 3.48 0.20 1.43 1.02 -1.26 -3.42 119.74 118.79 3jx8 s LYS 132 Ca -0.02 -0.50 -0.32 0.00 0.02 0.00 0.00 55.97 55.15 3jx8 s LYS 132 Cb 0.04 -2.80 -0.15 0.00 -0.52 0.00 0.00 37.83 34.41 3jx8 s LYS 132 CO 0.28 0.32 1.15 -2.30 -0.92 0.00 0.00 175.35 173.89 3jx8 n PRO 133 N -1.34 1.27 -3.84 -1.68 -0.02 -1.26 -4.43 135.00 123.71 3jx8 n PRO 133 Ca -0.06 0.45 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 3jx8 n PRO 133 Cb 0.56 -1.94 -0.17 0.00 -0.02 0.00 0.00 33.50 31.93 3jx8 n PRO 133 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3jx8 s THR 134 N -0.34 0.22 -0.24 3.45 2.01 0.75 -4.94 115.64 116.55 3jx8 s THR 134 Ca 0.70 0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 3jx8 s THR 134 Cb -0.81 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 3jx8 s THR 134 CO 0.53 0.20 0.16 -0.75 -0.69 0.00 0.00 174.62 174.07 3jx8 s LYS 135 N 1.59 4.06 0.00 4.92 2.20 -1.26 -1.07 119.74 130.18 3jx8 s LYS 135 Ca -0.02 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.39 3jx8 s LYS 135 Cb -0.13 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 3jx8 s LYS 135 CO -0.03 0.05 -0.22 0.14 -0.36 0.00 0.00 175.35 174.92 3jx8 s VAL 136 N 1.09 1.78 0.00 4.02 -7.23 -0.25 -4.95 120.40 114.85 3jx8 s VAL 136 Ca 0.07 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3jx8 s VAL 136 Cb -0.14 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.31 3jx8 s VAL 136 CO 0.05 0.42 0.00 -3.20 -0.31 0.00 0.00 175.10 172.06 3jx8 n ASN 137 N 2.30 0.00 -4.70 4.85 5.15 -1.26 -2.44 115.26 119.16 3jx8 n ASN 137 Ca -0.16 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.51 3jx8 n ASN 137 Cb 0.52 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.69 3jx8 n ASN 137 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3jx8 s ARG 138 N 0.00 2.13 -0.30 1.20 0.52 -1.26 -0.72 118.95 120.52 3jx8 s ARG 138 Ca 0.00 -2.32 -0.19 0.00 -0.52 0.00 0.00 55.73 52.70 3jx8 s ARG 138 Cb 0.00 -1.51 0.20 0.00 0.52 0.00 0.00 34.95 34.17 3jx8 s ARG 138 CO 0.00 -0.30 1.31 -2.00 0.02 0.00 0.00 175.30 174.33 3jx8 s GLU 140 N -3.83 0.01 -0.19 3.54 2.12 0.65 -4.47 118.70 116.53 3jx8 s GLU 140 Ca 0.13 0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.45 3jx8 s GLU 140 Cb 0.04 0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 3jx8 s GLU 140 CO 0.07 -0.00 -0.04 0.42 -0.54 0.00 0.00 175.26 175.17 3jx8 s ILE 141 N 1.76 3.65 0.31 -3.70 1.01 0.12 -0.70 121.20 123.65 3jx8 s ILE 141 Ca -0.01 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.27 3jx8 s ILE 141 Cb -0.01 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.77 3jx8 s ILE 141 CO -0.14 0.45 -0.03 0.20 0.00 0.00 0.00 174.94 175.43 3jx8 s ASN 142 N 0.90 2.86 -0.29 3.58 0.01 0.80 -0.09 114.94 122.71 3jx8 s ASN 142 Ca -0.00 -1.26 -0.20 0.00 -0.71 0.00 0.00 52.86 50.69 3jx8 s ASN 142 Cb -0.15 -0.19 0.14 0.00 0.41 0.00 0.00 41.25 41.47 3jx8 s ASN 142 CO 0.01 -0.41 1.03 0.00 -1.51 0.00 0.00 177.10 176.22 3jx8 s ALA 144 N -3.02 -2.16 0.00 0.60 0.00 -0.68 -0.67 121.76 115.83 3jx8 s ALA 144 Ca 0.32 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.33 3jx8 s ALA 144 Cb 0.06 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.56 3jx8 s ALA 144 CO 0.14 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3jx8 n GLY 145 N 3.00 0.51 0.67 0.00 0.00 -0.73 -1.62 105.19 107.03 3jx8 n GLY 145 Ca -0.16 -2.29 0.08 0.00 0.00 0.00 0.00 46.02 43.66 3jx8 n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 146 N 0.00 2.44 -2.84 1.61 3.41 -1.04 -1.36 113.62 115.84 3jx8 n SER 146 Ca 0.00 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 3jx8 n SER 146 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3jx8 n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 147 N 0.92 -0.25 3.16 5.00 0.00 -0.30 -4.22 105.19 109.50 3jx8 n GLY 147 Ca 0.10 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 3jx8 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx8 s ASN 148 N -1.00 0.01 -0.07 1.61 4.22 -0.27 -1.45 114.94 117.99 3jx8 s ASN 148 Ca 0.00 -0.27 0.05 0.00 -2.14 0.00 0.00 52.86 50.50 3jx8 s ASN 148 Cb 0.00 0.26 -0.00 0.00 1.28 0.00 0.00 41.25 42.78 3jx8 s ASN 148 CO 0.00 -0.47 -0.23 -0.69 -2.04 0.00 0.00 177.10 173.67 3jx8 s VAL 149 N -1.99 1.90 -0.13 3.54 1.01 -0.54 -1.30 120.40 122.90 3jx8 s VAL 149 Ca -0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 3jx8 s VAL 149 Cb -0.04 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3jx8 s VAL 149 CO -0.01 0.53 -0.07 -1.61 0.00 0.00 0.00 175.10 173.94 3jx8 s GLU 150 N 0.13 1.46 -0.87 2.72 2.02 0.46 -1.38 118.70 123.24 3jx8 s GLU 150 Ca -0.11 -0.30 -0.17 0.00 0.02 0.00 0.00 54.97 54.41 3jx8 s GLU 150 Cb -0.15 -1.67 0.17 0.00 0.10 0.00 0.00 34.13 32.58 3jx8 s GLU 150 CO 0.06 -0.31 0.95 -0.51 0.02 0.00 0.00 175.26 175.47 3jx8 s LEU 151 N 1.70 5.83 0.07 1.80 1.43 -0.39 -1.35 118.68 127.78 3jx8 s LEU 151 Ca 0.04 -2.31 0.03 0.00 -1.03 0.00 0.00 54.13 50.85 3jx8 s LEU 151 Cb -0.13 -2.31 -0.25 0.00 0.03 0.00 0.00 46.19 43.53 3jx8 s LEU 151 CO -0.08 -0.85 1.10 0.03 0.23 0.00 0.00 176.35 176.78 3jx8 h ARG 152 N 8.37 0.12 -7.43 1.70 3.08 -0.64 -1.48 114.38 118.10 3jx8 h ARG 152 Ca 0.12 -0.21 -0.47 0.00 0.07 0.00 0.00 59.98 59.48 3jx8 h ARG 152 Cb 1.03 0.08 0.08 0.00 0.08 0.00 0.00 29.97 31.24 3jx8 h ARG 152 CO 0.95 1.03 0.34 0.20 -1.07 0.00 0.00 179.97 181.41 3jx8 s GLY 153 N -4.78 1.62 0.16 0.04 0.00 -1.12 -4.67 107.32 98.57 3jx8 s GLY 153 Ca -0.03 -0.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.75 3jx8 s GLY 153 CO 0.84 -0.23 1.72 -4.14 0.00 0.00 0.00 173.10 171.30 3jx8 s PRO 154 N -5.35 4.15 -0.14 2.90 0.02 -1.26 -4.46 135.00 130.86 3jx8 s PRO 154 Ca 0.59 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 64.13 3jx8 s PRO 154 Cb -0.11 -3.31 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 3jx8 s PRO 154 CO 0.48 -0.75 -0.09 0.08 -0.33 0.00 0.00 177.00 176.39 3jx8 s VAL 155 N 1.82 3.42 -0.01 3.83 1.01 0.92 -0.18 120.40 131.21 3jx8 s VAL 155 Ca 0.76 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3jx8 s VAL 155 Cb -0.47 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3jx8 s VAL 155 CO 0.33 0.51 0.01 -0.75 0.00 0.00 0.00 175.10 175.21 3jx8 s LYS 156 N 0.35 0.04 0.00 2.72 2.20 -0.23 -0.76 119.74 124.06 3jx8 s LYS 156 Ca -0.08 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 3jx8 s LYS 156 Cb -0.15 -0.21 0.00 0.00 -1.51 0.00 0.00 37.83 35.96 3jx8 s LYS 156 CO 0.04 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 3jx8 n GLY 157 N 3.78 0.04 0.07 5.54 0.00 -0.52 -1.10 105.19 113.01 3jx8 n GLY 157 Ca -0.22 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 3jx8 n GLY 157 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3jx8 h TYR 158 N 0.00 -0.06 -3.27 1.61 3.20 -1.45 -1.92 116.97 115.08 3jx8 h TYR 158 Ca 0.00 -0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 3jx8 h TYR 158 Cb 0.00 0.02 -0.32 0.00 1.54 0.00 0.00 36.73 37.97 3jx8 h TYR 158 CO 0.00 0.12 -0.61 0.21 -1.64 0.00 0.00 178.16 176.25 3jx8 s LYS 159 N -1.89 0.09 -0.06 1.82 2.20 0.11 -0.58 119.74 121.42 3jx8 s LYS 159 Ca -0.04 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 55.98 3jx8 s LYS 159 Cb -0.00 -0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 3jx8 s LYS 159 CO 0.14 -0.16 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.59 3jx8 s LEU 160 N 1.14 2.32 -0.15 5.43 2.96 -0.72 -4.17 118.68 125.49 3jx8 s LEU 160 Ca -0.09 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.42 3jx8 s LEU 160 Cb -0.11 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.17 3jx8 s LEU 160 CO -0.06 0.27 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.46 3jx8 s GLU 161 N -0.30 1.69 -0.31 1.98 2.12 -1.26 -1.15 118.70 121.46 3jx8 s GLU 161 Ca 0.01 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 3jx8 s GLU 161 Cb -0.13 -1.95 0.04 0.00 0.26 0.00 0.00 34.13 32.35 3jx8 s GLU 161 CO 0.02 -0.35 0.05 0.00 -0.54 0.00 0.00 175.26 174.45 3jx8 s ASN 163 N 1.36 3.96 -0.30 0.00 0.01 0.87 -1.19 114.94 119.65 3jx8 s ASN 163 Ca -0.02 -1.32 -0.10 0.00 -0.71 0.00 0.00 52.86 50.70 3jx8 s ASN 163 Cb -0.19 -0.41 0.18 0.00 0.41 0.00 0.00 41.25 41.24 3jx8 s ASN 163 CO 0.01 -0.46 0.94 0.00 -1.51 0.00 0.00 177.10 176.08 3jx8 s ALA 165 N -2.69 -3.09 0.00 0.60 0.00 -1.26 -4.00 121.76 111.32 3jx8 s ALA 165 Ca 0.36 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3jx8 s ALA 165 Cb 0.09 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3jx8 s ALA 165 CO 0.19 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.98 3jx8 n GLY 166 N 5.42 0.56 0.45 0.00 0.00 -0.86 -1.78 105.19 108.98 3jx8 n GLY 166 Ca -0.06 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.35 3jx8 n GLY 166 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 167 N 0.96 1.90 -2.83 1.61 3.41 -1.07 -1.05 113.62 116.55 3jx8 n SER 167 Ca 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 3jx8 n SER 167 Cb 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3jx8 n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 168 N 1.34 0.29 3.31 5.00 0.00 -0.47 -4.27 105.19 110.40 3jx8 n GLY 168 Ca 0.08 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 3jx8 n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx8 s ASN 169 N -1.00 -0.25 -0.05 1.61 4.22 -0.53 -1.75 114.94 117.20 3jx8 s ASN 169 Ca 0.00 -0.16 0.03 0.00 -2.14 0.00 0.00 52.86 50.59 3jx8 s ASN 169 Cb 0.00 0.44 0.00 0.00 1.28 0.00 0.00 41.25 42.98 3jx8 s ASN 169 CO 0.00 -0.75 -0.13 -0.63 -2.04 0.00 0.00 177.10 173.55 3jx8 s ILE 170 N -3.09 1.13 -0.03 0.54 1.01 -0.76 -1.47 121.20 118.53 3jx8 s ILE 170 Ca -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.14 3jx8 s ILE 170 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3jx8 s ILE 170 CO -0.07 0.34 -0.12 -0.51 0.00 0.00 0.00 174.94 174.59 3jx8 s ILE 171 N 0.30 1.01 -0.27 2.92 2.07 -0.48 -1.07 121.20 125.68 3jx8 s ILE 171 Ca -0.07 -0.48 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 3jx8 s ILE 171 Cb -0.12 -0.89 0.07 0.00 0.13 0.00 0.00 42.46 41.65 3jx8 s ILE 171 CO 0.02 0.31 -0.06 0.00 -1.91 0.00 0.00 174.94 173.29 3jx8 s ALA 172 N 0.18 2.46 -0.75 1.50 0.00 -0.13 -1.26 121.76 123.77 3jx8 s ALA 172 Ca -0.04 -1.81 0.26 0.00 0.00 0.00 0.00 51.96 50.37 3jx8 s ALA 172 Cb -0.10 -1.62 0.70 0.00 0.00 0.00 0.00 23.12 22.10 3jx8 s ALA 172 CO 0.01 -1.30 1.64 1.63 0.00 0.00 0.00 175.76 177.74 3jx8 n LYS 173 N 4.46 0.23 -2.96 0.00 5.02 -0.56 -1.14 118.16 123.21 3jx8 n LYS 173 Ca -0.10 0.14 -0.01 0.00 -2.02 0.00 0.00 58.31 56.32 3jx8 n LYS 173 Cb 0.42 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3jx8 n LYS 173 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3jx8 s ASP 174 N -4.18 -1.19 0.07 4.39 -1.08 -1.13 -4.61 116.67 108.93 3jx8 s ASP 174 Ca 0.10 -0.89 0.08 0.00 -0.52 0.00 0.00 52.55 51.31 3jx8 s ASP 174 Cb 0.14 1.53 -0.03 0.00 -1.46 0.00 0.00 42.92 43.10 3jx8 s ASP 174 CO 0.63 -0.10 -0.18 0.27 0.52 0.00 0.00 175.17 176.32 3jx8 s ILE 175 N 1.53 2.84 -0.28 4.11 -4.36 -0.69 -0.06 121.20 124.30 3jx8 s ILE 175 Ca 0.20 -1.28 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 3jx8 s ILE 175 Cb -0.00 -2.24 0.10 0.00 1.25 0.00 0.00 42.46 41.57 3jx8 s ILE 175 CO -0.08 0.26 0.15 -1.58 0.24 0.00 0.00 174.94 173.93 3jx8 s GLN 176 N -1.68 0.20 0.06 0.37 0.74 0.06 -1.05 119.66 118.35 3jx8 s GLN 176 Ca 0.16 -0.42 0.01 0.00 0.05 0.00 0.00 55.36 55.17 3jx8 s GLN 176 Cb -0.11 -1.14 -0.03 0.00 1.10 0.00 0.00 33.01 32.83 3jx8 s GLN 176 CO 0.07 -0.98 -0.06 -0.51 -0.55 0.00 0.00 175.29 173.26 3jx8 s LEU 177 N 2.15 2.36 0.09 3.68 1.43 -0.66 -1.44 118.68 126.29 3jx8 s LEU 177 Ca 0.08 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3jx8 s LEU 177 Cb -0.16 -0.05 -0.20 0.00 0.03 0.00 0.00 46.19 45.81 3jx8 s LEU 177 CO -0.33 -0.35 1.21 0.44 0.23 0.00 0.00 176.35 177.54 3jx8 h ASP 178 N 3.87 0.70 -3.67 2.29 3.32 -1.19 -1.41 116.42 120.33 3jx8 h ASP 178 Ca -0.35 -0.61 -0.27 0.00 0.02 0.00 0.00 57.03 55.83 3jx8 h ASP 178 Cb 1.18 -0.22 -0.30 0.00 0.22 0.00 0.00 39.33 40.21 3jx8 h ASP 178 CO 0.51 1.42 -0.73 0.20 -1.72 0.00 0.00 179.24 178.92 3jx8 s ASN 179 N -7.23 0.13 -0.04 6.45 0.01 0.26 -1.64 114.94 112.88 3jx8 s ASN 179 Ca -0.07 -0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.09 3jx8 s ASN 179 Cb 0.07 -0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.70 3jx8 s ASN 179 CO 0.90 -0.04 -0.07 -0.22 -1.51 0.00 0.00 177.10 176.17 3jx8 s LEU 180 N 0.36 1.57 -0.06 0.60 2.96 -0.36 -1.76 118.68 121.99 3jx8 s LEU 180 Ca -0.03 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3jx8 s LEU 180 Cb -0.05 -0.50 0.03 0.00 0.50 0.00 0.00 46.19 46.17 3jx8 s LEU 180 CO -0.01 0.00 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.46 3jx8 s SER 181 N 0.56 1.39 -0.10 3.68 0.15 -0.30 -0.81 113.70 118.27 3jx8 s SER 181 Ca -0.08 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.49 3jx8 s SER 181 Cb -0.12 -0.45 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 3jx8 s SER 181 CO 0.01 -0.15 -0.19 0.00 1.20 0.00 0.00 173.24 174.10 3jx8 s SER 183 N 0.60 1.66 -0.13 0.00 0.01 -0.33 -0.62 113.70 114.89 3jx8 s SER 183 Ca -0.14 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3jx8 s SER 183 Cb -0.17 -0.75 0.02 0.00 0.21 0.00 0.00 66.02 65.33 3jx8 s SER 183 CO 0.04 -0.00 -0.12 -0.22 0.41 0.00 0.00 173.24 173.35 3jx8 s LEU 184 N 0.84 1.53 -0.01 2.44 2.96 -0.10 -4.17 118.68 122.16 3jx8 s LEU 184 Ca -0.12 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3jx8 s LEU 184 Cb -0.15 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 3jx8 s LEU 184 CO 0.02 -0.07 -0.01 0.00 -1.32 0.00 0.00 176.35 174.97 3jx8 s ALA 185 N 1.49 3.22 0.00 5.97 0.00 -1.26 -0.49 121.76 130.69 3jx8 s ALA 185 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3jx8 s ALA 185 Cb -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3jx8 s ALA 185 CO -0.09 0.63 0.00 0.45 0.00 0.00 0.00 175.76 176.76 3jx8 n SER 186 N 1.53 0.00 -0.91 0.00 2.88 -0.70 -2.04 113.62 114.38 3jx8 n SER 186 Ca -0.15 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.48 3jx8 n SER 186 Cb 0.53 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.17 3jx8 n SER 186 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3jx8 n SER 187 N 1.11 3.13 -3.12 -3.46 3.41 -1.14 -1.21 113.62 112.35 3jx8 n SER 187 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3jx8 n SER 187 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3jx8 n SER 187 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 188 N 1.07 0.39 3.36 5.00 0.00 -0.22 -4.19 105.19 110.60 3jx8 n GLY 188 Ca 0.16 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 3jx8 n GLY 188 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jx8 s GLU 189 N 0.00 0.51 -0.11 1.61 2.12 -0.72 -1.79 118.70 120.33 3jx8 s GLU 189 Ca 0.00 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.10 3jx8 s GLU 189 Cb 0.00 0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.56 3jx8 s GLU 189 CO 0.00 -0.10 -0.21 0.42 -0.54 0.00 0.00 175.26 174.83 3jx8 s ILE 190 N 0.72 1.86 -0.08 -3.70 1.01 -0.78 -1.82 121.20 118.41 3jx8 s ILE 190 Ca -0.04 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3jx8 s ILE 190 Cb -0.05 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.79 3jx8 s ILE 190 CO -0.05 0.51 -0.20 -0.70 0.00 0.00 0.00 174.94 174.51 3jx8 s GLU 191 N 0.59 2.42 -0.02 2.79 2.12 -0.24 -0.23 118.70 126.14 3jx8 s GLU 191 Ca -0.14 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.51 3jx8 s GLU 191 Cb -0.17 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.31 3jx8 s GLU 191 CO 0.04 0.16 -0.07 0.14 -0.54 0.00 0.00 175.26 174.99 3jx8 s VAL 192 N 0.34 0.61 -0.04 3.70 -7.23 -0.68 -0.95 120.40 116.15 3jx8 s VAL 192 Ca -0.14 -0.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 3jx8 s VAL 192 Cb -0.16 -0.54 0.02 0.00 0.56 0.00 0.00 36.38 36.26 3jx8 s VAL 192 CO 0.06 0.19 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.39 3jx8 s ILE 193 N 0.14 0.36 0.00 -0.62 1.01 -0.29 -3.82 121.20 117.98 3jx8 s ILE 193 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3jx8 s ILE 193 Cb -0.07 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.98 3jx8 s ILE 193 CO -0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3jx8 n GLY 194 N 4.09 0.22 2.84 6.18 0.00 0.00 -1.70 105.19 116.82 3jx8 n GLY 194 Ca -0.26 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 3jx8 n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jx8 s THR 195 N -2.98 0.09 0.01 2.61 -4.23 -0.22 -0.92 115.64 110.00 3jx8 s THR 195 Ca 0.00 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 3jx8 s THR 195 Cb 0.00 -0.15 -0.01 0.00 1.34 0.00 0.00 72.50 73.69 3jx8 s THR 195 CO 0.00 0.08 0.06 0.68 -0.54 0.00 0.00 174.62 174.89 3jx8 s VAL 196 N 0.53 0.08 -0.04 2.29 -7.23 -0.35 -1.65 120.40 114.03 3jx8 s VAL 196 Ca -0.05 -0.69 -0.17 0.00 -1.81 0.00 0.00 61.98 59.26 3jx8 s VAL 196 Cb -0.07 -0.31 -0.11 0.00 0.56 0.00 0.00 36.38 36.44 3jx8 s VAL 196 CO -0.01 -0.38 0.72 -0.78 -0.31 0.00 0.00 175.10 174.34 3jx8 h ASP 197 N 4.69 -0.32 -3.45 4.85 3.58 -1.25 -2.76 116.42 121.77 3jx8 h ASP 197 Ca -0.30 -0.14 -0.57 0.00 0.42 0.00 0.00 57.03 56.44 3jx8 h ASP 197 Cb 1.20 0.08 -0.33 0.00 1.72 0.00 0.00 39.33 42.01 3jx8 h ASP 197 CO 0.42 0.16 -0.84 -0.13 -2.88 0.00 0.00 179.24 175.97 3jx8 s ARG 198 N -3.32 2.09 0.02 0.28 0.52 -0.65 -1.70 118.95 116.19 3jx8 s ARG 198 Ca -0.10 -0.57 0.06 0.00 -0.52 0.00 0.00 55.73 54.61 3jx8 s ARG 198 Cb 0.01 -1.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.78 3jx8 s ARG 198 CO 0.33 0.09 -0.17 0.00 0.02 0.00 0.00 175.30 175.57 3jx8 s ALA 199 N 0.51 1.45 -0.14 2.13 0.00 -0.02 -1.22 121.76 124.47 3jx8 s ALA 199 Ca -0.15 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 3jx8 s ALA 199 Cb -0.16 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3jx8 s ALA 199 CO 0.05 0.32 -0.08 0.45 0.00 0.00 0.00 175.76 176.51 3jx8 s SER 200 N -0.89 2.54 -0.18 0.00 0.15 0.01 -1.25 113.70 114.09 3jx8 s SER 200 Ca 0.05 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3jx8 s SER 200 Cb -0.08 -0.93 0.01 0.00 -1.71 0.00 0.00 66.02 63.31 3jx8 s SER 200 CO 0.01 -0.14 -0.16 -0.36 1.20 0.00 0.00 173.24 173.79 3jx8 s PHE 201 N 1.64 2.80 -0.04 3.44 0.08 0.17 -0.20 117.98 125.87 3jx8 s PHE 201 Ca 0.03 -1.31 0.01 0.00 0.12 0.00 0.00 56.93 55.78 3jx8 s PHE 201 Cb -0.14 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 3jx8 s PHE 201 CO -0.08 -0.64 -0.05 -0.80 -0.10 0.00 0.00 175.22 173.54 3jx8 s ASN 202 N 1.13 0.92 -0.06 1.36 0.01 0.21 -0.70 114.94 117.80 3jx8 s ASN 202 Ca 0.01 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 3jx8 s ASN 202 Cb -0.14 -0.38 0.02 0.00 0.41 0.00 0.00 41.25 41.16 3jx8 s ASN 202 CO -0.06 -0.02 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.76 3jx8 s VAL 203 N 0.66 0.68 -0.41 1.60 1.01 -0.07 -0.92 120.40 122.94 3jx8 s VAL 203 Ca -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3jx8 s VAL 203 Cb -0.12 -0.71 0.12 0.00 0.00 0.00 0.00 36.38 35.67 3jx8 s VAL 203 CO 0.00 0.27 0.19 0.00 0.00 0.00 0.00 175.10 175.57 3jx8 s ALA 204 N 1.17 2.22 0.00 5.51 0.00 0.35 -0.47 121.76 130.54 3jx8 s ALA 204 Ca -0.07 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.42 3jx8 s ALA 204 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.11 3jx8 s ALA 204 CO -0.01 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.21 3jx8 n GLY 205 N 3.83 0.91 0.45 0.00 0.00 -0.72 -1.73 105.19 107.92 3jx8 n GLY 205 Ca 0.06 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.34 3jx8 n GLY 205 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 206 N 0.00 1.88 -2.64 1.61 3.41 -1.12 -0.58 113.62 116.17 3jx8 n SER 206 Ca 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 3jx8 n SER 206 Cb 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3jx8 n SER 206 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 207 N 1.42 -2.45 3.00 5.00 0.00 -0.35 -4.32 105.19 107.49 3jx8 n GLY 207 Ca 0.09 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3jx8 n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jx8 s GLU 208 N -2.64 0.16 -0.19 1.61 2.12 -0.74 -1.66 118.70 117.36 3jx8 s GLU 208 Ca 0.00 0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.55 3jx8 s GLU 208 Cb 0.00 -0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 3jx8 s GLU 208 CO 0.00 -0.07 0.02 0.42 -0.54 0.00 0.00 175.26 175.09 3jx8 s ILE 209 N 0.47 4.21 -0.41 -3.70 1.01 -0.16 -1.86 121.20 120.76 3jx8 s ILE 209 Ca -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 3jx8 s ILE 209 Cb -0.05 -2.90 0.09 0.00 0.01 0.00 0.00 42.46 39.62 3jx8 s ILE 209 CO -0.02 0.44 0.22 -0.54 0.00 0.00 0.00 174.94 175.04 3jx8 s LYS 210 N 0.76 2.35 -0.02 2.79 1.02 0.68 -1.33 119.74 125.99 3jx8 s LYS 210 Ca 0.01 -1.60 0.10 0.00 0.02 0.00 0.00 55.97 54.50 3jx8 s LYS 210 Cb -0.14 -3.65 0.18 0.00 -0.52 0.00 0.00 37.83 33.70 3jx8 s LYS 210 CO 0.02 -0.98 1.08 0.00 -0.92 0.00 0.00 175.35 174.54 3jx8 n ALA 211 N 4.76 2.22 0.15 5.17 0.00 0.01 -1.68 120.51 131.13 3jx8 n ALA 211 Ca -0.07 -1.68 0.15 0.00 0.00 0.00 0.00 53.44 51.83 3jx8 n ALA 211 Cb 0.42 -0.55 0.71 0.00 0.00 0.00 0.00 19.45 20.02 3jx8 n ALA 211 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3jx8 h PHE 212 N 0.36 0.00 -0.54 0.00 0.04 -1.79 -1.67 116.94 113.33 3jx8 h PHE 212 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3jx8 h PHE 212 Cb 1.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.64 3jx8 h PHE 212 CO 0.15 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 177.61 3jx8 n ASP 213 N -4.31 5.13 -4.08 2.17 9.92 -1.26 -4.56 116.55 119.56 3jx8 n ASP 213 Ca 0.03 -2.80 -0.34 0.00 -0.53 0.00 0.00 54.79 51.15 3jx8 n ASP 213 Cb 0.34 -0.62 -0.13 0.00 -0.64 0.00 0.00 41.12 40.06 3jx8 n ASP 213 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3jx8 s GLN 215 N 1.04 3.35 -0.06 0.00 0.74 -0.10 -4.27 119.66 120.37 3jx8 s GLN 215 Ca 0.09 0.51 -0.05 0.00 0.05 0.00 0.00 55.36 55.96 3jx8 s GLN 215 Cb -0.21 -4.10 -0.04 0.00 1.10 0.00 0.00 33.01 29.76 3jx8 s GLN 215 CO -0.06 -1.87 0.16 0.00 -0.55 0.00 0.00 175.29 172.97 3jx8 s ALA 216 N 5.90 3.89 -0.08 1.58 0.00 -0.56 -1.21 121.76 131.29 3jx8 s ALA 216 Ca 0.53 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 3jx8 s ALA 216 Cb -0.11 -1.90 -0.22 0.00 0.00 0.00 0.00 23.12 20.89 3jx8 s ALA 216 CO 0.26 0.68 0.95 -0.09 0.00 0.00 0.00 175.76 177.57 3jx8 h ARG 217 N 4.39 -0.03 -5.24 0.00 2.43 -1.02 0.73 114.38 115.64 3jx8 h ARG 217 Ca -0.52 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.06 3jx8 h ARG 217 Cb 1.21 0.01 -0.32 0.00 -0.42 0.00 0.00 29.97 30.44 3jx8 h ARG 217 CO 0.63 0.67 -0.85 0.15 -1.51 0.00 0.00 179.97 179.06 3jx8 s LYS 218 N -3.15 2.12 0.03 0.20 1.02 -0.69 -0.78 119.74 118.50 3jx8 s LYS 218 Ca -0.16 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.20 3jx8 s LYS 218 Cb -0.01 -1.75 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 3jx8 s LYS 218 CO 0.63 0.20 -0.11 0.00 -0.92 0.00 0.00 175.35 175.15 3jx8 s ALA 219 N 0.21 0.92 -0.11 5.17 0.00 -0.41 -0.84 121.76 126.70 3jx8 s ALA 219 Ca -0.09 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3jx8 s ALA 219 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3jx8 s ALA 219 CO 0.04 0.15 -0.20 -2.00 0.00 0.00 0.00 175.76 173.75 3jx8 s GLU 220 N -1.10 3.16 -0.11 0.00 2.12 -0.38 -0.92 118.70 121.47 3jx8 s GLU 220 Ca -0.01 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.53 3jx8 s GLU 220 Cb -0.08 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.91 3jx8 s GLU 220 CO 0.01 0.20 -0.17 0.00 -0.54 0.00 0.00 175.26 174.75 3jx8 s ASN 222 N 0.84 1.79 -0.11 0.00 0.01 0.12 -0.45 114.94 117.13 3jx8 s ASN 222 Ca -0.09 -0.25 0.04 0.00 -0.71 0.00 0.00 52.86 51.84 3jx8 s ASN 222 Cb -0.15 -0.73 0.00 0.00 0.41 0.00 0.00 41.25 40.78 3jx8 s ASN 222 CO 0.00 -0.07 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.67 3jx8 s ILE 223 N 1.26 2.02 -0.17 0.60 1.01 -0.15 -0.89 121.20 124.89 3jx8 s ILE 223 Ca -0.04 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 3jx8 s ILE 223 Cb -0.14 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 3jx8 s ILE 223 CO -0.03 0.55 -0.07 0.00 0.00 0.00 0.00 174.94 175.40 3jx8 s ALA 224 N 0.48 2.84 0.00 9.38 0.00 0.38 -0.54 121.76 134.30 3jx8 s ALA 224 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3jx8 s ALA 224 Cb -0.17 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3jx8 s ALA 224 CO 0.06 0.05 0.00 0.45 0.00 0.00 0.00 175.76 176.32 3jx8 n SER 225 N 3.87 0.00 -1.07 0.00 2.88 0.37 -1.76 113.62 117.91 3jx8 n SER 225 Ca -0.18 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 3jx8 n SER 225 Cb 0.52 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.21 3jx8 n SER 225 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3jx8 n SER 226 N 1.57 3.43 -3.66 -3.46 3.41 -1.21 -1.64 113.62 112.05 3jx8 n SER 226 Ca 0.00 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 3jx8 n SER 226 Cb 0.00 -0.32 0.24 0.00 -0.26 0.00 0.00 64.21 63.88 3jx8 n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 227 N 1.28 -2.44 2.90 5.00 0.00 0.25 -4.28 105.19 107.91 3jx8 n GLY 227 Ca 0.19 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 3jx8 n GLY 227 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jx8 s GLU 228 N -5.63 0.15 -0.04 1.61 2.12 -0.66 -1.92 118.70 114.33 3jx8 s GLU 228 Ca 0.73 -0.07 0.04 0.00 0.36 0.00 0.00 54.97 56.03 3jx8 s GLU 228 Cb -0.06 -0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.18 3jx8 s GLU 228 CO 0.55 0.04 -0.14 0.42 -0.54 0.00 0.00 175.26 175.59 3jx8 s ILE 229 N -0.05 1.20 -0.21 -3.70 1.01 -0.57 -0.99 121.20 117.88 3jx8 s ILE 229 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 3jx8 s ILE 229 Cb -0.01 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.44 3jx8 s ILE 229 CO -0.00 0.35 -0.10 -0.44 0.00 0.00 0.00 174.94 174.75 3jx8 s SER 230 N 0.07 3.90 0.07 3.58 0.01 -0.44 -1.26 113.70 119.62 3jx8 s SER 230 Ca -0.03 -0.64 0.05 0.00 1.31 0.00 0.00 55.95 56.64 3jx8 s SER 230 Cb -0.10 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 3jx8 s SER 230 CO 0.01 -0.05 -0.14 0.54 0.41 0.00 0.00 173.24 174.01 3jx8 s VAL 231 N 1.36 1.13 -0.27 3.43 0.11 -0.10 -0.81 120.40 125.25 3jx8 s VAL 231 Ca 0.04 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.80 3jx8 s VAL 231 Cb -0.15 -1.08 0.08 0.00 -1.53 0.00 0.00 36.38 33.70 3jx8 s VAL 231 CO -0.07 -0.20 0.01 -0.47 -3.33 0.00 0.00 175.10 171.04 3jx8 s TYR 232 N -1.24 2.33 -0.06 1.54 5.04 -1.24 -1.41 117.35 122.31 3jx8 s TYR 232 Ca -0.02 -1.90 0.05 0.00 -2.44 0.00 0.00 57.07 52.77 3jx8 s TYR 232 Cb -0.10 -1.81 -0.01 0.00 0.35 0.00 0.00 41.96 40.39 3jx8 s TYR 232 CO 0.02 -0.82 -0.24 0.00 -1.34 0.00 0.00 175.55 173.18 3jx8 s ALA 233 N 1.41 2.06 -0.07 3.97 0.00 -1.12 -1.50 121.76 126.51 3jx8 s ALA 233 Ca 0.02 -0.97 0.14 0.00 0.00 0.00 0.00 51.96 51.14 3jx8 s ALA 233 Cb -0.18 -0.67 -0.23 0.00 0.00 0.00 0.00 23.12 22.03 3jx8 s ALA 233 CO -0.12 0.37 0.57 0.25 0.00 0.00 0.00 175.76 176.83 3jx8 n THR 234 N 3.09 1.57 0.00 0.00 -2.24 0.25 -3.62 114.28 113.34 3jx8 n THR 234 Ca -0.18 -0.81 -0.02 0.00 -2.27 0.00 0.00 64.05 60.78 3jx8 n THR 234 Cb 0.52 -0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 3jx8 n THR 234 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3jx8 n GLN 235 N -3.00 0.04 -4.41 -0.78 7.27 0.04 -3.37 117.38 113.17 3jx8 n GLN 235 Ca -0.19 0.02 -0.22 0.00 0.07 0.00 0.00 57.00 56.67 3jx8 n GLN 235 Cb 1.07 -0.56 -0.16 0.00 2.41 0.00 0.00 30.24 32.99 3jx8 n GLN 235 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3jx8 s ILE 236 N -2.04 0.86 -0.10 1.69 -1.09 -0.82 -0.65 121.20 119.05 3jx8 s ILE 236 Ca -0.02 -0.33 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 3jx8 s ILE 236 Cb 0.01 -0.81 0.02 0.00 -1.58 0.00 0.00 42.46 40.10 3jx8 s ILE 236 CO 0.03 0.29 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.75 3jx8 s LEU 237 N 0.69 1.08 -0.35 2.97 2.96 -0.26 -1.28 118.68 124.48 3jx8 s LEU 237 Ca -0.12 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.47 3jx8 s LEU 237 Cb -0.14 -0.75 0.04 0.00 0.50 0.00 0.00 46.19 45.84 3jx8 s LEU 237 CO 0.02 -0.13 0.13 -0.62 -1.32 0.00 0.00 176.35 174.43 3jx8 s ASP 238 N 1.71 5.37 -0.25 3.68 2.15 -0.10 -0.83 116.67 128.40 3jx8 s ASP 238 Ca 0.04 -1.20 -0.03 0.00 0.43 0.00 0.00 52.55 51.79 3jx8 s ASP 238 Cb -0.13 -1.89 0.01 0.00 -0.30 0.00 0.00 42.92 40.62 3jx8 s ASP 238 CO -0.07 -0.36 -0.03 0.00 -0.17 0.00 0.00 175.17 174.55 3jx8 s ALA 239 N 1.40 2.81 -0.05 3.66 0.00 0.15 0.02 121.76 129.74 3jx8 s ALA 239 Ca -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.62 3jx8 s ALA 239 Cb -0.20 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.16 3jx8 s ALA 239 CO 0.03 -0.68 -0.06 -0.80 0.00 0.00 0.00 175.76 174.25 3jx8 s ASN 240 N 1.42 1.26 -0.04 0.00 0.01 0.40 -1.26 114.94 116.72 3jx8 s ASN 240 Ca 0.03 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 3jx8 s ASN 240 Cb -0.16 -0.57 0.01 0.00 0.41 0.00 0.00 41.25 40.95 3jx8 s ASN 240 CO -0.03 -0.04 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.81 3jx8 s ILE 241 N 0.95 0.78 -0.31 0.60 1.01 0.12 -0.98 121.20 123.36 3jx8 s ILE 241 Ca -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3jx8 s ILE 241 Cb -0.14 -0.74 0.09 0.00 0.01 0.00 0.00 42.46 41.68 3jx8 s ILE 241 CO 0.00 0.27 0.04 -0.69 0.00 0.00 0.00 174.94 174.56 3jx8 s VAL 242 N 0.62 1.80 -3.10 2.92 1.01 0.30 -4.18 120.40 119.77 3jx8 s VAL 242 Ca -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 59.97 3jx8 s VAL 242 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3jx8 s VAL 242 CO 0.01 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.20 3jx8 n GLY 243 N 4.47 0.58 1.01 4.51 0.00 -1.26 -0.48 105.19 114.02 3jx8 n GLY 243 Ca -0.01 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.33 3jx8 n GLY 243 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 244 N 0.00 3.15 -3.84 1.61 3.41 -1.06 -1.04 113.62 115.84 3jx8 n SER 244 Ca 0.00 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 3jx8 n SER 244 Cb 0.00 -0.12 0.24 0.00 -0.26 0.00 0.00 64.21 64.07 3jx8 n SER 244 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3jx8 s GLY 245 N -1.69 1.58 -0.00 5.00 0.00 -0.65 -4.09 107.32 107.48 3jx8 s GLY 245 Ca 0.32 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3jx8 s GLY 245 CO 0.29 -0.06 -0.03 -0.54 0.00 0.00 0.00 173.10 172.76 3jx8 s GLU 246 N -5.40 0.28 -0.17 2.90 2.02 -0.81 -2.04 118.70 115.49 3jx8 s GLU 246 Ca 0.71 -0.13 -0.00 0.00 0.02 0.00 0.00 54.97 55.56 3jx8 s GLU 246 Cb -0.10 -0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.86 3jx8 s GLU 246 CO 0.56 0.07 -0.13 0.42 0.02 0.00 0.00 175.26 176.20 3jx8 s ILE 247 N -0.10 2.78 -0.19 -1.63 1.01 -0.64 -1.51 121.20 120.93 3jx8 s ILE 247 Ca 0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3jx8 s ILE 247 Cb -0.01 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3jx8 s ILE 247 CO -0.00 0.50 -0.07 -1.00 0.00 0.00 0.00 174.94 174.37 3jx8 s HIS 248 N 0.92 2.92 0.10 3.97 3.76 -0.39 -1.08 115.29 125.50 3jx8 s HIS 248 Ca -0.03 -0.80 0.08 0.00 -0.15 0.00 0.00 55.06 54.15 3jx8 s HIS 248 Cb -0.15 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 3jx8 s HIS 248 CO -0.01 -0.40 -0.19 1.52 -0.85 0.00 0.00 174.74 174.81 3jx8 s TYR 249 N 1.02 1.67 0.33 1.40 1.13 0.28 -0.92 117.35 122.26 3jx8 s TYR 249 Ca -0.00 -0.44 0.04 0.00 -1.41 0.00 0.00 57.07 55.26 3jx8 s TYR 249 Cb -0.15 -0.90 -0.06 0.00 -1.10 0.00 0.00 41.96 39.75 3jx8 s TYR 249 CO -0.00 0.19 0.06 -1.59 -2.51 0.00 0.00 175.55 171.70 3jx8 s LYS 250 N -2.03 1.66 0.00 -3.49 -2.85 -0.50 0.12 119.74 112.66 3jx8 s LYS 250 Ca 0.06 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 3jx8 s LYS 250 Cb -0.09 -0.82 0.00 0.00 -2.06 0.00 0.00 37.83 34.85 3jx8 s LYS 250 CO 0.04 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.69 3jx8 n GLY 251 N -0.69 -0.21 2.67 0.59 0.00 -1.26 -2.80 105.19 103.48 3jx8 n GLY 251 Ca -0.02 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 3jx8 n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jx8 n ASP 252 N -0.39 4.11 -4.75 1.61 8.00 -1.26 -4.97 116.55 118.89 3jx8 n ASP 252 Ca 0.00 -3.59 -0.29 0.00 0.71 0.00 0.00 54.79 51.63 3jx8 n ASP 252 Cb 0.00 -0.52 0.15 0.00 -0.02 0.00 0.00 41.12 40.73 3jx8 n ASP 252 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx8 s PRO 253 N -3.40 0.93 -0.21 -0.24 0.04 -1.22 -4.75 135.00 126.15 3jx8 s PRO 253 Ca 0.46 0.36 -0.29 0.00 0.04 0.00 0.00 61.00 61.58 3jx8 s PRO 253 Cb 0.35 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 33.09 3jx8 s PRO 253 CO -0.14 -2.36 1.04 -1.21 0.04 0.00 0.00 177.00 174.36 3jx8 s GLU 254 N -5.18 4.29 -0.13 4.56 2.02 0.18 -4.87 118.70 119.57 3jx8 s GLU 254 Ca 0.64 1.37 -0.05 0.00 0.02 0.00 0.00 54.97 56.95 3jx8 s GLU 254 Cb -0.16 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 3jx8 s GLU 254 CO 0.55 -0.58 0.04 -1.50 0.02 0.00 0.00 175.26 173.79 3jx8 s ILE 255 N 3.00 4.65 -0.21 -1.63 2.07 -1.26 -1.10 121.20 126.72 3jx8 s ILE 255 Ca 0.45 -0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.53 3jx8 s ILE 255 Cb -0.16 -3.02 -0.02 0.00 0.13 0.00 0.00 42.46 39.39 3jx8 s ILE 255 CO 0.08 0.55 0.01 -0.44 -1.91 0.00 0.00 174.94 173.24 3jx8 s SER 256 N -0.39 4.87 -0.04 4.50 0.01 -0.01 -4.98 113.70 117.66 3jx8 s SER 256 Ca 0.09 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.14 3jx8 s SER 256 Cb -0.12 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.23 3jx8 s SER 256 CO 0.02 0.04 -0.03 -0.54 0.41 0.00 0.00 173.24 173.14 3jx8 s LYS 257 N 1.17 2.80 -0.29 12.44 1.02 -1.26 -0.68 119.74 134.94 3jx8 s LYS 257 Ca 0.03 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.47 3jx8 s LYS 257 Cb -0.14 -2.66 0.18 0.00 -0.52 0.00 0.00 37.83 34.68 3jx8 s LYS 257 CO 0.02 0.66 0.54 0.45 -0.92 0.00 0.00 175.35 176.09 3jx8 s SER 258 N -1.13 -0.97 0.39 2.83 0.15 -0.39 -4.98 113.70 109.59 3jx8 s SER 258 Ca 0.15 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.37 3jx8 s SER 258 Cb -0.11 1.86 -0.00 0.00 -1.71 0.00 0.00 66.02 66.06 3jx8 s SER 258 CO 0.05 -0.28 0.03 -0.38 1.20 0.00 0.00 173.24 173.86 3jx8 n ILE 259 N 5.41 0.00 -2.60 6.45 5.41 -1.26 -0.70 119.36 132.07 3jx8 n ILE 259 Ca -0.01 -1.93 0.00 0.00 1.00 0.00 0.00 62.75 61.82 3jx8 n ILE 259 Cb 0.51 0.47 0.00 0.00 -0.71 0.00 0.00 39.64 39.91 3jx8 n ILE 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3jx8 n GLY 261 N 0.04 -0.42 0.33 7.39 0.00 -1.26 -4.99 105.19 106.28 3jx8 n GLY 261 Ca -0.14 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.46 3jx8 n GLY 261 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 262 N -3.48 1.00 -3.24 1.61 3.41 -1.06 -4.90 113.62 106.94 3jx8 n SER 262 Ca 0.00 -1.55 -0.21 0.00 -0.26 0.00 0.00 58.87 56.85 3jx8 n SER 262 Cb 0.00 -0.05 0.18 0.00 -0.26 0.00 0.00 64.21 64.08 3jx8 n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 263 N 1.01 -2.77 3.39 5.00 0.00 -0.21 -4.83 105.19 106.77 3jx8 n GLY 263 Ca 0.16 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 3jx8 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx8 s SER 264 N -3.54 -0.44 -0.07 1.61 1.04 -0.86 -4.97 113.70 106.47 3jx8 s SER 264 Ca 0.50 -0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.98 3jx8 s SER 264 Cb -0.05 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3jx8 s SER 264 CO 0.39 -0.85 -0.24 -0.63 0.98 0.00 0.00 173.24 172.89 3jx8 s ILE 265 N -3.26 2.01 -0.05 -1.02 1.01 -1.26 -1.61 121.20 117.02 3jx8 s ILE 265 Ca -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 3jx8 s ILE 265 Cb -0.00 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.77 3jx8 s ILE 265 CO -0.08 0.56 0.13 0.54 0.00 0.00 0.00 174.94 176.08 3jx8 s ASN 266 N -0.02 -0.13 -0.04 3.58 4.22 -0.24 -4.99 114.94 117.32 3jx8 s ASN 266 Ca -0.08 0.26 -0.17 0.00 -2.14 0.00 0.00 52.86 50.73 3jx8 s ASN 266 Cb -0.15 0.26 -0.05 0.00 1.28 0.00 0.00 41.25 42.59 3jx8 s ASN 266 CO 0.05 -0.05 0.47 -0.75 -2.04 0.00 0.00 177.10 174.78 3jx8 s LYS 267 N 0.12 4.16 0.25 3.55 2.20 -1.26 -0.56 119.74 128.20 3jx8 s LYS 267 Ca -0.00 0.48 0.10 0.00 -0.36 0.00 0.00 55.97 56.19 3jx8 s LYS 267 Cb -0.01 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 3jx8 s LYS 267 CO -0.00 0.43 -0.18 0.14 -0.36 0.00 0.00 175.35 175.38 3jx8 s VAL 268 N -0.28 2.18 -2.00 4.02 -7.23 0.12 -4.89 120.40 112.31 3jx8 s VAL 268 Ca 0.26 -2.32 0.20 0.00 -1.81 0.00 0.00 61.98 58.30 3jx8 s VAL 268 Cb -0.16 -2.19 0.56 0.00 0.56 0.00 0.00 36.38 35.14 3jx8 s VAL 268 CO 0.13 -0.47 1.56 0.29 -0.31 0.00 0.00 175.10 176.30