#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 0.62 -3.43 -0.67 5.02 -1.26 -4.91 118.16 113.53 3jx8 n LYS 24 Ca 0.00 0.30 -0.37 0.00 -2.02 0.00 0.00 58.31 56.22 3jx8 n LYS 24 Cb 0.00 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.36 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 -2.49 4.23 -0.14 1.97 3.52 -1.26 -0.02 118.95 124.77 3jx8 s ARG 25 Ca -0.34 0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 3jx8 s ARG 25 Cb 0.11 -3.48 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3jx8 s ARG 25 CO 0.57 0.09 -0.15 0.42 -0.81 0.00 0.00 175.30 175.42 3jx8 s ILE 26 N 0.89 1.62 -0.03 4.11 -1.09 0.14 -4.94 121.20 121.90 3jx8 s ILE 26 Ca 0.19 -0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 57.76 3jx8 s ILE 26 Cb -0.14 -1.50 -0.05 0.00 -1.58 0.00 0.00 42.46 39.18 3jx8 s ILE 26 CO 0.07 0.47 0.48 -1.81 -1.23 0.00 0.00 174.94 172.91 3jx8 s ASP 27 N 1.35 6.83 0.27 3.58 1.01 -1.26 -0.82 116.67 127.63 3jx8 s ASP 27 Ca 0.02 0.99 -0.30 0.00 0.71 0.00 0.00 52.55 53.97 3jx8 s ASP 27 Cb -0.13 -2.29 -0.13 0.00 1.01 0.00 0.00 42.92 41.37 3jx8 s ASP 27 CO -0.09 0.19 1.40 0.61 0.21 0.00 0.00 175.17 177.49 3jx8 n GLY 28 N 2.34 0.78 0.21 0.21 0.00 -0.27 -4.88 105.19 103.58 3jx8 n GLY 28 Ca -0.10 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.48 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 1.87 0.63 0.00 1.61 6.94 -1.26 -4.77 115.26 120.28 3jx8 n ASN 29 Ca 0.10 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 3jx8 n ASN 29 Cb 0.33 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 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 0.96 0.55 3.10 4.83 0.00 -1.26 -5.00 105.19 108.37 3jx8 n GLY 30 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.06 5.24 0.22 1.61 0.01 -1.26 -5.05 114.94 113.65 3jx8 s ASN 31 Ca 0.00 -2.54 -0.30 0.00 -0.71 0.00 0.00 52.86 49.31 3jx8 s ASN 31 Cb 0.00 -1.84 -0.09 0.00 0.41 0.00 0.00 41.25 39.73 3jx8 s ASN 31 CO 0.00 -0.44 1.22 -2.84 -1.51 0.00 0.00 177.10 173.53 3jx8 s PRO 32 N 0.40 4.48 -0.03 -0.60 0.02 -1.26 -0.78 135.00 137.23 3jx8 s PRO 32 Ca 0.14 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.15 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 -0.04 -0.09 -0.22 -2.00 -0.33 0.00 0.00 177.00 174.33 3jx8 s GLU 33 N -0.56 1.87 -0.18 5.54 2.12 -0.36 -4.81 118.70 122.33 3jx8 s GLU 33 Ca 0.52 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 55.02 3jx8 s GLU 33 Cb -0.34 -1.75 -0.03 0.00 0.26 0.00 0.00 34.13 32.27 3jx8 s GLU 33 CO 0.39 0.42 0.01 0.99 -0.54 0.00 0.00 175.26 176.54 3jx8 s THR 34 N -0.38 4.29 -0.08 -1.70 2.01 -1.26 -1.44 115.64 117.08 3jx8 s THR 34 Ca 0.05 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.87 3jx8 s THR 34 Cb -0.10 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.50 3jx8 s THR 34 CO 0.00 0.46 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.10 3jx8 s ARG 35 N 0.52 2.22 -0.21 4.92 0.52 0.31 -4.99 118.95 122.24 3jx8 s ARG 35 Ca 0.00 -0.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 3jx8 s ARG 35 Cb -0.14 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 3jx8 s ARG 35 CO 0.02 0.07 0.67 -1.21 0.02 0.00 0.00 175.30 174.86 3jx8 s GLU 36 N 0.60 4.19 -0.17 3.54 2.02 -1.26 -1.11 118.70 126.51 3jx8 s GLU 36 Ca -0.15 0.66 -0.05 0.00 0.02 0.00 0.00 54.97 55.46 3jx8 s GLU 36 Cb -0.16 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 3jx8 s GLU 36 CO 0.05 -0.32 -0.01 0.42 0.02 0.00 0.00 175.26 175.41 3jx8 s ILE 37 N 2.18 4.08 0.07 -1.63 1.01 -0.11 -4.99 121.20 121.81 3jx8 s ILE 37 Ca 0.29 -0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.35 3jx8 s ILE 37 Cb -0.16 -2.81 -0.07 0.00 0.01 0.00 0.00 42.46 39.44 3jx8 s ILE 37 CO 0.10 0.48 1.39 -0.75 0.00 0.00 0.00 174.94 176.15 3jx8 s LYS 38 N 0.46 4.31 0.02 2.79 2.20 -1.26 -3.90 119.74 124.36 3jx8 s LYS 38 Ca -0.02 2.02 -0.03 0.00 -0.36 0.00 0.00 55.97 57.58 3jx8 s LYS 38 Cb -0.14 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3jx8 s LYS 38 CO 0.02 -0.48 0.04 0.96 -0.36 0.00 0.00 175.35 175.54 3jx8 s ILE 39 N 1.58 0.11 0.89 5.43 -4.36 -1.26 -4.86 121.20 118.72 3jx8 s ILE 39 Ca 0.64 -0.89 -0.14 0.00 -0.26 0.00 0.00 60.65 60.00 3jx8 s ILE 39 Cb -0.34 -0.44 0.14 0.00 1.25 0.00 0.00 42.46 43.06 3jx8 s ILE 39 CO 0.29 -0.49 1.22 -0.44 0.24 0.00 0.00 174.94 175.76 3jx8 s SER 40 N -1.57 3.77 0.54 4.36 0.01 -1.26 -4.76 113.70 114.79 3jx8 s SER 40 Ca -0.13 0.63 -0.20 0.00 1.31 0.00 0.00 55.95 57.56 3jx8 s SER 40 Cb -0.07 -0.97 -0.06 0.00 0.21 0.00 0.00 66.02 65.12 3jx8 s SER 40 CO -0.01 -2.36 1.14 -0.62 0.41 0.00 0.00 173.24 171.80 3jx8 s ASP 41 N -4.58 5.70 0.05 2.44 2.15 -1.26 -4.91 116.67 116.25 3jx8 s ASP 41 Ca 0.67 2.20 0.00 0.00 0.43 0.00 0.00 52.55 55.85 3jx8 s ASP 41 Cb -0.09 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 3jx8 s ASP 41 CO 0.51 -1.23 -0.05 -0.72 -0.17 0.00 0.00 175.17 173.51 3jx8 s TYR 42 N -1.75 0.54 0.00 -5.34 -0.85 -1.26 -4.56 117.35 104.13 3jx8 s TYR 42 Ca 0.73 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 3jx8 s TYR 42 Cb -0.25 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.74 3jx8 s TYR 42 CO 0.28 -0.22 0.87 -0.40 -1.52 0.00 0.00 175.55 174.56 3jx8 n ASP 43 N 0.82 1.69 -3.77 -0.18 5.68 -0.40 -4.33 116.55 116.06 3jx8 n ASP 43 Ca -0.19 -1.74 -0.13 0.00 -0.50 0.00 0.00 54.79 52.23 3jx8 n ASP 43 Cb 0.58 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.74 0.52 -0.06 0.11 2.12 -1.20 -0.54 118.70 118.90 3jx8 s GLU 44 Ca 0.00 0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.45 3jx8 s GLU 44 Cb 0.00 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3jx8 s GLU 44 CO 0.00 -0.11 -0.17 0.42 -0.54 0.00 0.00 175.26 174.85 3jx8 s ILE 45 N -0.65 1.49 -0.27 -3.70 1.01 -0.16 -0.48 121.20 118.44 3jx8 s ILE 45 Ca -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 3jx8 s ILE 45 Cb -0.04 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.16 3jx8 s ILE 45 CO 0.02 0.43 -0.01 -0.89 0.00 0.00 0.00 174.94 174.49 3jx8 s THR 46 N 0.30 3.18 -0.16 2.92 2.01 0.84 -0.73 115.64 123.99 3jx8 s THR 46 Ca -0.10 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 60.89 3jx8 s THR 46 Cb -0.14 -2.66 0.04 0.00 0.01 0.00 0.00 72.50 69.75 3jx8 s THR 46 CO 0.04 0.11 -0.09 0.12 -0.69 0.00 0.00 174.62 174.12 3jx8 s PHE 47 N 1.36 1.93 -0.12 4.92 5.36 0.35 -1.33 117.98 130.44 3jx8 s PHE 47 Ca -0.00 -1.17 0.03 0.00 -0.96 0.00 0.00 56.93 54.83 3jx8 s PHE 47 Cb -0.17 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 3jx8 s PHE 47 CO -0.02 -0.64 -0.23 0.08 -1.46 0.00 0.00 175.22 172.95 3jx8 s VAL 48 N 1.56 2.05 -3.48 3.12 1.01 -0.06 -1.14 120.40 123.47 3jx8 s VAL 48 Ca 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3jx8 s VAL 48 Cb -0.15 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3jx8 s VAL 48 CO -0.08 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3jx8 n GLY 49 N 3.76 0.77 1.05 4.51 0.00 -0.35 -4.27 105.19 110.65 3jx8 n GLY 49 Ca -0.19 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 2.09 3.28 -4.73 1.61 3.41 -1.26 -2.08 113.62 115.93 3jx8 n SER 50 Ca 0.00 -1.95 -0.32 0.00 -0.26 0.00 0.00 58.87 56.34 3jx8 n SER 50 Cb 0.00 -0.21 0.10 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.43 2.05 -0.39 7.33 0.00 -1.26 -4.29 121.76 123.78 3jx8 s ALA 51 Ca 0.35 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 3jx8 s ALA 51 Cb 0.21 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.95 3jx8 s ALA 51 CO 0.29 -1.97 0.84 -0.51 0.00 0.00 0.00 175.76 174.41 3jx8 s ASP 52 N -2.63 6.56 -0.23 0.00 1.01 -0.76 -1.39 116.67 119.22 3jx8 s ASP 52 Ca 0.68 0.33 -0.04 0.00 0.71 0.00 0.00 52.55 54.22 3jx8 s ASP 52 Cb -0.23 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 3jx8 s ASP 52 CO 0.50 -0.83 -0.02 0.12 0.21 0.00 0.00 175.17 175.16 3jx8 s PHE 53 N 3.30 3.00 -0.20 4.23 2.19 0.70 -0.96 117.98 130.24 3jx8 s PHE 53 Ca 0.34 -0.93 -0.08 0.00 0.33 0.00 0.00 56.93 56.59 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 0.19 -0.54 0.07 -1.21 1.83 0.00 0.00 175.22 175.56 3jx8 s GLU 54 N 1.48 3.94 0.02 10.12 2.02 0.67 -1.08 118.70 135.88 3jx8 s GLU 54 Ca 0.05 -0.36 0.04 0.00 0.02 0.00 0.00 54.97 54.72 3jx8 s GLU 54 Cb -0.15 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 3jx8 s GLU 54 CO -0.02 0.18 -0.12 -0.47 0.02 0.00 0.00 175.26 174.85 3jx8 s TYR 55 N 0.62 1.05 0.05 1.61 5.04 -0.40 -1.22 117.35 124.11 3jx8 s TYR 55 Ca 0.04 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 3jx8 s TYR 55 Cb -0.13 -0.65 -0.03 0.00 0.35 0.00 0.00 41.96 41.50 3jx8 s TYR 55 CO 0.01 0.00 -0.05 -1.21 -1.34 0.00 0.00 175.55 172.96 3jx8 s GLU 56 N -0.78 0.57 0.23 4.97 0.41 -0.97 -4.18 118.70 118.95 3jx8 s GLU 56 Ca 0.02 -0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 53.32 3jx8 s GLU 56 Cb -0.06 -0.06 -0.09 0.00 -1.78 0.00 0.00 34.13 32.14 3jx8 s GLU 56 CO 0.00 -0.03 0.90 -0.65 -0.49 0.00 0.00 175.26 175.00 3jx8 s GLN 57 N -2.63 4.78 -0.12 1.61 -0.21 -1.26 -3.07 119.66 118.76 3jx8 s GLN 57 Ca -0.02 1.41 -0.28 0.00 0.02 0.00 0.00 55.36 56.48 3jx8 s GLN 57 Cb -0.02 -3.25 0.07 0.00 1.00 0.00 0.00 33.01 30.81 3jx8 s GLN 57 CO -0.04 0.52 0.67 0.45 -2.12 0.00 0.00 175.29 174.77 3jx8 s SER 58 N -1.20 -0.66 0.00 5.90 0.15 -0.02 -4.92 113.70 112.94 3jx8 s SER 58 Ca 0.40 0.94 0.17 0.00 0.70 0.00 0.00 55.95 58.16 3jx8 s SER 58 Cb -0.25 0.84 0.57 0.00 -1.71 0.00 0.00 66.02 65.48 3jx8 s SER 58 CO 0.30 -0.47 1.43 -0.90 1.20 0.00 0.00 173.24 174.80 3jx8 n ASP 59 N 1.56 1.74 -4.34 5.45 5.68 -1.26 -3.39 116.55 122.00 3jx8 n ASP 59 Ca -0.17 -1.83 -0.29 0.00 -0.50 0.00 0.00 54.79 52.00 3jx8 n ASP 59 Cb 0.56 -0.16 0.17 0.00 -1.14 0.00 0.00 41.12 40.56 3jx8 n ASP 59 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3jx8 s LYS 60 N -1.68 0.57 0.38 0.11 1.02 -1.26 -4.99 119.74 113.88 3jx8 s LYS 60 Ca 0.29 -0.09 -0.26 0.00 0.02 0.00 0.00 55.97 55.92 3jx8 s LYS 60 Cb 0.15 -1.81 -0.12 0.00 -0.52 0.00 0.00 37.83 35.54 3jx8 s LYS 60 CO 0.22 -2.51 1.08 0.00 -0.92 0.00 0.00 175.35 173.22 3jx8 n ALA 61 N -3.91 0.37 -1.76 5.17 0.00 -1.26 -4.80 120.51 114.32 3jx8 n ALA 61 Ca 0.12 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 3jx8 n ALA 61 Cb 0.60 -2.11 0.02 0.00 0.00 0.00 0.00 19.45 17.96 3jx8 n ALA 61 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jx8 s PRO 62 N -1.90 3.53 -0.02 0.00 0.04 -1.26 -4.90 135.00 130.48 3jx8 s PRO 62 Ca 0.61 2.41 -0.02 0.00 0.04 0.00 0.00 61.00 64.03 3jx8 s PRO 62 Cb -0.59 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.40 3jx8 s PRO 62 CO 0.59 -0.94 0.07 -0.47 0.04 0.00 0.00 177.00 176.29 3jx8 s TYR 63 N -1.22 -0.07 -0.02 0.56 5.04 -1.10 -4.76 117.35 115.78 3jx8 s TYR 63 Ca 0.64 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 3jx8 s TYR 63 Cb -0.44 0.02 0.02 0.00 0.35 0.00 0.00 41.96 41.92 3jx8 s TYR 63 CO 0.55 -0.04 0.01 -1.17 -1.34 0.00 0.00 175.55 173.57 3jx8 s LEU 64 N 0.04 1.27 -0.02 6.97 2.96 -1.25 -1.94 118.68 126.71 3jx8 s LEU 64 Ca -0.00 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3jx8 s LEU 64 Cb -0.01 -0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.56 3jx8 s LEU 64 CO 0.00 -0.09 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.36 3jx8 s SER 65 N 0.87 0.59 -0.04 3.68 0.15 -0.19 -0.94 113.70 117.82 3jx8 s SER 65 Ca -0.08 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.53 3jx8 s SER 65 Cb -0.11 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 3jx8 s SER 65 CO -0.02 -0.02 -0.13 -0.69 1.20 0.00 0.00 173.24 173.58 3jx8 s VAL 66 N 0.50 1.09 -0.15 4.45 1.01 -0.27 -1.01 120.40 126.01 3jx8 s VAL 66 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3jx8 s VAL 66 Cb -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.35 3jx8 s VAL 66 CO -0.01 0.33 -0.14 -0.89 0.00 0.00 0.00 175.10 174.39 3jx8 s THR 67 N 0.23 1.59 0.11 3.92 2.01 0.12 -0.53 115.64 123.09 3jx8 s THR 67 Ca -0.06 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 3jx8 s THR 67 Cb -0.11 -1.50 0.05 0.00 0.01 0.00 0.00 72.50 70.94 3jx8 s THR 67 CO 0.02 0.44 0.47 -0.51 -0.69 0.00 0.00 174.62 174.34 3jx8 s ILE 68 N 1.48 0.05 0.10 1.82 2.07 -0.52 -0.97 121.20 125.22 3jx8 s ILE 68 Ca 0.05 -0.38 -0.36 0.00 -1.41 0.00 0.00 60.65 58.55 3jx8 s ILE 68 Cb -0.13 -1.07 -0.17 0.00 0.13 0.00 0.00 42.46 41.21 3jx8 s ILE 68 CO -0.11 -0.21 1.17 0.47 -1.91 0.00 0.00 174.94 174.36 3jx8 n ASP 69 N -0.07 0.97 -0.30 4.50 9.92 -1.24 -1.22 116.55 129.12 3jx8 n ASP 69 Ca -0.17 1.14 0.17 0.00 -0.53 0.00 0.00 54.79 55.40 3jx8 n ASP 69 Cb 0.63 -1.12 0.43 0.00 -0.64 0.00 0.00 41.12 40.43 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 3.61 0.54 0.00 -1.24 4.11 -1.27 0.25 114.58 120.58 3jx8 h GLU 70 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3jx8 h GLU 70 Cb 1.37 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3jx8 h GLU 70 CO 0.71 0.36 0.00 0.27 0.07 0.00 0.00 179.01 180.42 3jx8 n ASN 71 N -4.63 0.69 0.07 3.06 6.94 -1.26 -3.41 115.26 116.72 3jx8 n ASN 71 Ca 0.22 0.63 0.12 0.00 -0.02 0.00 0.00 54.58 55.53 3jx8 n ASN 71 Cb 0.67 -0.79 0.18 0.00 -2.36 0.00 0.00 39.78 37.48 3jx8 n ASN 71 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3jx8 h LEU 72 N 0.00 0.00 -0.95 -4.53 3.38 -1.28 -3.35 115.31 108.58 3jx8 h LEU 72 Ca 0.00 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.90 3jx8 h LEU 72 Cb 0.49 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 3jx8 h LEU 72 CO 0.00 0.10 0.58 -0.26 0.09 0.00 0.00 178.44 178.94 3jx8 h PHE 73 N 0.00 1.04 0.00 1.13 0.04 -1.65 -1.15 116.94 116.35 3jx8 h PHE 73 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3jx8 h PHE 73 Cb 0.75 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 3jx8 h PHE 73 CO 0.00 0.38 -0.00 -0.44 -0.60 0.00 0.00 178.31 177.64 3jx8 h ASP 74 N 0.89 0.00 -0.54 2.17 3.32 -1.81 -2.19 116.42 118.25 3jx8 h ASP 74 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3jx8 h ASP 74 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3jx8 h ASP 74 CO -0.29 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.01 3jx8 n TYR 75 N -3.13 1.07 -4.72 4.55 4.02 -0.44 -4.98 117.16 113.53 3jx8 n TYR 75 Ca -0.03 -0.60 -0.24 0.00 -0.01 0.00 0.00 57.90 57.03 3jx8 n TYR 75 Cb 0.08 -0.15 -0.16 0.00 -0.02 0.00 0.00 39.34 39.09 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 -1.60 1.93 -0.15 7.72 2.96 -0.83 -1.05 118.68 127.67 3jx8 s LEU 76 Ca 0.43 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.91 3jx8 s LEU 76 Cb 0.27 -0.84 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 3jx8 s LEU 76 CO 0.22 0.15 0.27 -0.69 -1.32 0.00 0.00 176.35 174.98 3jx8 s VAL 77 N -0.06 5.31 -0.31 1.68 1.01 0.29 -4.83 120.40 123.49 3jx8 s VAL 77 Ca -0.00 0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 3jx8 s VAL 77 Cb -0.09 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 32.82 3jx8 s VAL 77 CO 0.01 0.43 0.27 0.42 0.00 0.00 0.00 175.10 176.24 3jx8 s THR 78 N 0.18 -0.29 0.16 3.92 -4.23 -1.24 -1.89 115.64 112.25 3jx8 s THR 78 Ca 0.16 -0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 59.70 3jx8 s THR 78 Cb -0.13 -0.94 0.06 0.00 1.34 0.00 0.00 72.50 72.84 3jx8 s THR 78 CO 0.04 -0.58 0.70 -1.83 -0.54 0.00 0.00 174.62 172.41 3jx8 s GLU 79 N 2.03 1.30 -0.20 3.99 -1.05 -0.60 -5.01 118.70 119.16 3jx8 s GLU 79 Ca 0.11 -0.57 -0.07 0.00 -0.15 0.00 0.00 54.97 54.29 3jx8 s GLU 79 Cb -0.15 0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3jx8 s GLU 79 CO -0.25 -0.58 0.07 0.08 0.95 0.00 0.00 175.26 175.52 3jx8 s VAL 80 N -3.65 4.70 -0.07 1.83 1.01 -1.26 -0.15 120.40 122.82 3jx8 s VAL 80 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 3jx8 s VAL 80 Cb -0.02 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.26 3jx8 s VAL 80 CO -0.07 0.43 0.16 -0.70 0.00 0.00 0.00 175.10 174.92 3jx8 s GLU 81 N 0.63 0.10 -1.37 2.72 2.12 -0.38 -4.87 118.70 117.65 3jx8 s GLU 81 Ca 0.03 0.40 -0.07 0.00 0.36 0.00 0.00 54.97 55.69 3jx8 s GLU 81 Cb -0.13 -0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.09 3jx8 s GLU 81 CO 0.01 -0.17 0.95 0.41 -0.54 0.00 0.00 175.26 175.93 3jx8 n GLY 82 N 4.25 -0.48 2.50 -1.50 0.00 -1.26 -1.35 105.19 107.34 3jx8 n GLY 82 Ca -0.26 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.80 1.61 3.12 -0.02 0.00 -1.26 -4.98 105.19 101.85 3jx8 n GLY 83 Ca -0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.66 1.72 -0.13 2.61 2.01 -0.46 -1.28 115.64 117.45 3jx8 s THR 84 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 3jx8 s THR 84 Cb 0.00 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 3jx8 s THR 84 CO 0.00 0.48 1.01 -0.22 -0.69 0.00 0.00 174.62 175.20 3jx8 s LEU 85 N 0.76 4.22 -0.18 4.42 2.96 0.37 -1.25 118.68 129.98 3jx8 s LEU 85 Ca -0.10 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.31 3jx8 s LEU 85 Cb -0.16 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.01 3jx8 s LEU 85 CO 0.01 -0.48 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.83 3jx8 s LYS 86 N 2.21 2.86 -0.16 1.98 1.02 0.79 -0.11 119.74 128.33 3jx8 s LYS 86 Ca 0.47 -0.82 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 3jx8 s LYS 86 Cb -0.18 -2.52 0.05 0.00 -0.52 0.00 0.00 37.83 34.66 3jx8 s LYS 86 CO 0.16 -0.23 0.02 0.42 -0.92 0.00 0.00 175.35 174.79 3jx8 s ILE 87 N 1.31 0.55 -0.01 2.17 1.01 -0.44 -1.56 121.20 124.23 3jx8 s ILE 87 Ca 0.04 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.02 3jx8 s ILE 87 Cb -0.13 -0.94 0.09 0.00 0.01 0.00 0.00 42.46 41.49 3jx8 s ILE 87 CO -0.12 -0.06 0.80 -0.72 0.00 0.00 0.00 174.94 174.84 3jx8 s TYR 88 N 1.86 -0.45 0.42 3.97 -0.85 -0.79 -0.88 117.35 120.63 3jx8 s TYR 88 Ca 0.01 0.49 -0.25 0.00 -0.52 0.00 0.00 57.07 56.80 3jx8 s TYR 88 Cb -0.16 0.50 -0.08 0.00 0.38 0.00 0.00 41.96 42.61 3jx8 s TYR 88 CO -0.07 -0.59 1.24 -2.14 -1.52 0.00 0.00 175.55 172.47 3jx8 s PRO 89 N -2.51 3.89 0.75 -3.49 0.02 -1.26 -0.55 135.00 131.85 3jx8 s PRO 89 Ca -0.00 2.01 -0.14 0.00 0.02 0.00 0.00 61.00 62.88 3jx8 s PRO 89 Cb -0.01 -2.63 0.05 0.00 0.02 0.00 0.00 34.50 31.93 3jx8 s PRO 89 CO -0.04 -0.51 1.18 0.15 -0.33 0.00 0.00 177.00 177.45 3jx8 s LYS 90 N -2.39 2.06 0.50 5.54 1.02 -0.21 -4.72 119.74 121.55 3jx8 s LYS 90 Ca 0.59 1.66 -0.23 0.00 0.02 0.00 0.00 55.97 58.02 3jx8 s LYS 90 Cb -0.35 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.07 3jx8 s LYS 90 CO 0.43 -1.87 1.31 -1.12 -0.92 0.00 0.00 175.35 173.18 3jx8 s SER 91 N -2.24 5.67 0.16 2.83 0.01 -1.26 -1.27 113.70 117.59 3jx8 s SER 91 Ca 0.72 2.64 -0.31 0.00 1.31 0.00 0.00 55.95 60.31 3jx8 s SER 91 Cb -0.27 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.23 3jx8 s SER 91 CO 0.47 -1.29 1.62 -0.63 0.41 0.00 0.00 173.24 173.82 3jx8 s ILE 92 N -1.35 2.58 -0.15 1.44 1.01 -0.22 -4.76 121.20 119.75 3jx8 s ILE 92 Ca 0.67 0.36 -0.37 0.00 0.00 0.00 0.00 60.65 61.30 3jx8 s ILE 92 Cb -0.37 -3.23 -0.14 0.00 0.01 0.00 0.00 42.46 38.72 3jx8 s ILE 92 CO 0.45 0.02 1.74 1.17 0.00 0.00 0.00 174.94 178.32 3jx8 n LYS 93 N 4.30 1.57 -1.84 2.79 4.81 -1.26 -0.48 118.16 128.04 3jx8 n LYS 93 Ca 0.15 0.57 -0.16 0.00 -0.87 0.00 0.00 58.31 58.00 3jx8 n LYS 93 Cb 0.38 -2.31 -0.04 0.00 0.02 0.00 0.00 35.03 33.08 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 5.36 -1.16 -0.26 1.64 4.76 -1.26 -4.87 118.16 122.37 3jx8 n LYS 94 Ca 0.24 0.92 0.09 0.00 -2.87 0.00 0.00 58.31 56.69 3jx8 n LYS 94 Cb 0.20 -5.18 0.24 0.00 -1.84 0.00 0.00 35.03 28.46 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 -1.04 2.35 2.41 0.72 0.00 0.36 -4.98 105.19 105.02 3jx8 n GLY 95 Ca -0.17 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 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 1.21 -0.96 -2.09 1.61 3.72 -1.26 -1.70 117.46 117.98 3jx8 n PHE 96 Ca 0.19 0.13 -0.13 0.00 -0.05 0.00 0.00 57.45 57.58 3jx8 n PHE 96 Cb 0.54 -3.29 -0.02 0.00 -0.94 0.00 0.00 39.48 35.77 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 -1.05 -3.97 0.04 4.37 3.02 -1.26 -4.87 115.26 111.54 3jx8 n ASN 97 Ca -0.15 0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.76 3jx8 n ASN 97 Cb 0.62 -3.46 0.53 0.00 -0.61 0.00 0.00 39.78 36.86 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 -1.41 0.28 -3.65 6.41 3.02 -0.69 -4.94 115.26 114.29 3jx8 n ASN 98 Ca -0.15 0.53 -0.02 0.00 -0.03 0.00 0.00 54.58 54.91 3jx8 n ASN 98 Cb 0.56 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 -3.53 -0.15 0.30 6.41 2.20 -1.26 -5.10 114.94 113.81 3jx8 s ASN 99 Ca 0.12 -0.20 0.05 0.00 -0.94 0.00 0.00 52.86 51.89 3jx8 s ASN 99 Cb 0.16 0.31 -0.06 0.00 -2.00 0.00 0.00 41.25 39.66 3jx8 s ASN 99 CO 0.53 -0.55 0.00 -0.94 -2.94 0.00 0.00 177.10 173.21 3jx8 s SER 100 N -2.81 2.52 0.46 3.54 1.04 -1.26 -1.06 113.70 116.14 3jx8 s SER 100 Ca 0.12 -1.28 -0.24 0.00 0.48 0.00 0.00 55.95 55.03 3jx8 s SER 100 Cb 0.01 -0.12 -0.07 0.00 0.10 0.00 0.00 66.02 65.94 3jx8 s SER 100 CO -0.02 -0.48 1.28 -0.31 0.98 0.00 0.00 173.24 174.68 3jx8 s TYR 101 N -3.17 2.69 -0.58 5.02 2.02 -0.39 -4.72 117.35 118.21 3jx8 s TYR 101 Ca 0.33 1.44 -0.16 0.00 -0.37 0.00 0.00 57.07 58.30 3jx8 s TYR 101 Cb 0.06 -3.62 0.14 0.00 -0.40 0.00 0.00 41.96 38.15 3jx8 s TYR 101 CO 0.13 -2.14 0.54 0.34 -1.57 0.00 0.00 175.55 172.86 3jx8 s ASP 102 N -0.98 6.27 -0.03 2.29 2.15 0.98 -4.85 116.67 122.49 3jx8 s ASP 102 Ca 0.63 -1.90 -0.16 0.00 0.43 0.00 0.00 52.55 51.55 3jx8 s ASP 102 Cb -0.36 -2.21 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 3jx8 s ASP 102 CO 0.44 -0.83 0.44 -0.76 -0.17 0.00 0.00 175.17 174.29 3jx8 s LEU 103 N 1.45 4.42 -0.62 -1.34 1.43 -1.26 -0.69 118.68 122.07 3jx8 s LEU 103 Ca 0.05 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 3jx8 s LEU 103 Cb -0.27 -2.64 0.21 0.00 0.03 0.00 0.00 46.19 43.53 3jx8 s LEU 103 CO 0.01 0.23 0.60 0.54 0.23 0.00 0.00 176.35 177.96 3jx8 n ARG 104 N 2.33 1.89 -1.75 1.70 5.12 0.00 -4.92 116.66 121.04 3jx8 n ARG 104 Ca -0.12 -4.33 -0.33 0.00 -1.93 0.00 0.00 57.85 51.15 3jx8 n ARG 104 Cb 0.52 -2.11 0.04 0.00 -1.16 0.00 0.00 32.46 29.75 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 -1.76 2.86 0.17 5.56 0.04 -1.26 -1.11 135.00 139.50 3jx8 s PRO 105 Ca 0.33 1.29 0.23 0.00 0.04 0.00 0.00 61.00 62.89 3jx8 s PRO 105 Cb 0.07 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.70 3jx8 s PRO 105 CO -0.10 -1.19 1.07 0.25 0.04 0.00 0.00 177.00 177.08 3jx8 n THR 106 N -2.52 0.53 -3.71 1.26 -2.24 -1.26 -4.82 114.28 101.52 3jx8 n THR 106 Ca 0.10 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3jx8 n THR 106 Cb 0.52 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 3jx8 n THR 106 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jx8 s VAL 107 N -3.32 -0.02 -0.28 2.28 1.01 -1.26 -5.07 120.40 113.74 3jx8 s VAL 107 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3jx8 s VAL 107 Cb 0.11 -0.59 0.16 0.00 0.00 0.00 0.00 36.38 36.06 3jx8 s VAL 107 CO 0.78 0.03 0.46 -0.47 0.00 0.00 0.00 175.10 175.90 3jx8 s TYR 108 N 1.11 -1.19 0.01 5.22 5.04 -1.25 -3.61 117.35 122.68 3jx8 s TYR 108 Ca -0.07 0.86 0.05 0.00 -2.44 0.00 0.00 57.07 55.46 3jx8 s TYR 108 Cb -0.07 0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.33 3jx8 s TYR 108 CO -0.09 -0.90 -0.15 0.15 -1.34 0.00 0.00 175.55 173.22 3jx8 s LYS 109 N 2.65 1.09 -0.02 4.97 1.02 -0.14 -1.83 119.74 127.47 3jx8 s LYS 109 Ca 0.13 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.53 3jx8 s LYS 109 Cb -0.13 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.10 3jx8 s LYS 109 CO -0.23 0.29 -0.08 0.42 -0.92 0.00 0.00 175.35 174.82 3jx8 s ILE 110 N -0.53 0.73 -0.06 2.17 1.01 -0.13 -0.71 121.20 123.68 3jx8 s ILE 110 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3jx8 s ILE 110 Cb -0.06 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3jx8 s ILE 110 CO 0.00 0.23 -0.11 -0.75 0.00 0.00 0.00 174.94 174.31 3jx8 s LYS 111 N 0.17 1.57 0.09 2.79 2.20 -0.18 -0.24 119.74 126.14 3jx8 s LYS 111 Ca -0.03 -0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 55.07 3jx8 s LYS 111 Cb -0.08 -1.32 0.03 0.00 -1.51 0.00 0.00 37.83 34.95 3jx8 s LYS 111 CO 0.00 0.01 0.36 0.45 -0.36 0.00 0.00 175.35 175.81 3jx8 s SER 112 N 0.71 -0.18 0.02 1.43 0.15 -0.36 -1.03 113.70 114.44 3jx8 s SER 112 Ca -0.14 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 3jx8 s SER 112 Cb -0.16 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3jx8 s SER 112 CO 0.03 -0.77 0.14 0.54 1.20 0.00 0.00 173.24 174.38 3jx8 s ASN 113 N -2.56 0.06 0.31 5.45 4.22 -0.82 -2.28 114.94 119.32 3jx8 s ASN 113 Ca 0.01 -0.31 -0.02 0.00 -2.14 0.00 0.00 52.86 50.39 3jx8 s ASN 113 Cb 0.01 0.23 -0.01 0.00 1.28 0.00 0.00 41.25 42.76 3jx8 s ASN 113 CO -0.09 -0.44 0.41 -0.94 -2.04 0.00 0.00 177.10 174.00 3jx8 s SER 114 N -1.70 0.78 0.29 3.54 1.04 -1.17 -2.72 113.70 113.77 3jx8 s SER 114 Ca -0.11 -1.43 0.07 0.00 0.48 0.00 0.00 55.95 54.96 3jx8 s SER 114 Cb -0.05 0.60 0.44 0.00 0.10 0.00 0.00 66.02 67.12 3jx8 s SER 114 CO -0.01 -1.19 1.68 0.11 0.98 0.00 0.00 173.24 174.82 3jx8 h LYS 115 N 2.20 0.19 -2.16 4.02 1.79 -1.75 -0.03 116.57 120.83 3jx8 h LYS 115 Ca -0.28 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.02 3jx8 h LYS 115 Cb 1.24 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.69 3jx8 h LYS 115 CO 0.40 0.61 0.08 -2.00 -1.08 0.00 0.00 179.45 177.46 3jx8 s GLU 116 N -4.05 0.85 -0.34 3.15 2.12 -1.26 -4.17 118.70 115.00 3jx8 s GLU 116 Ca -0.04 0.63 -0.00 0.00 0.36 0.00 0.00 54.97 55.92 3jx8 s GLU 116 Cb 0.13 0.41 0.08 0.00 0.26 0.00 0.00 34.13 35.01 3jx8 s GLU 116 CO 0.77 -0.17 0.07 -1.17 -0.54 0.00 0.00 175.26 174.21 3jx8 s LEU 117 N -0.25 4.52 0.04 2.70 2.96 -1.26 -4.10 118.68 123.28 3jx8 s LEU 117 Ca -0.04 -1.77 -0.05 0.00 -0.22 0.00 0.00 54.13 52.05 3jx8 s LEU 117 Cb -0.03 -1.71 -0.29 0.00 0.50 0.00 0.00 46.19 44.66 3jx8 s LEU 117 CO 0.04 -0.38 0.99 0.11 -1.32 0.00 0.00 176.35 175.79 3jx8 h LYS 118 N 7.89 0.29 -2.76 1.98 1.57 -1.06 -3.43 116.57 121.05 3jx8 h LYS 118 Ca -0.14 -0.49 -0.14 0.00 -1.87 0.00 0.00 60.65 58.01 3jx8 h LYS 118 Cb 1.04 0.18 -0.28 0.00 0.08 0.00 0.00 32.23 33.26 3jx8 h LYS 118 CO 0.58 1.19 -0.36 -2.00 -0.57 0.00 0.00 179.45 178.29 3jx8 s GLU 119 N -2.63 0.33 -0.15 3.15 2.12 -1.16 -0.58 118.70 119.79 3jx8 s GLU 119 Ca -0.07 0.71 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 3jx8 s GLU 119 Cb 0.07 -0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 3jx8 s GLU 119 CO 0.87 -0.16 -0.09 -1.17 -0.54 0.00 0.00 175.26 174.17 3jx8 s LEU 120 N 1.39 2.90 -0.25 2.70 2.96 -0.06 -0.98 118.68 127.33 3jx8 s LEU 120 Ca -0.09 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3jx8 s LEU 120 Cb -0.09 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.98 3jx8 s LEU 120 CO -0.11 0.15 -0.11 0.20 -1.32 0.00 0.00 176.35 175.16 3jx8 s ASN 121 N 0.44 4.34 -0.05 3.68 0.01 0.09 -0.15 114.94 123.31 3jx8 s ASN 121 Ca -0.07 -1.35 0.05 0.00 -0.71 0.00 0.00 52.86 50.78 3jx8 s ASN 121 Cb -0.15 -1.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.98 3jx8 s ASN 121 CO 0.04 -0.18 -0.19 0.28 -1.51 0.00 0.00 177.10 175.54 3jx8 s THR 122 N 1.13 1.56 -0.03 1.60 -1.32 0.27 -0.49 115.64 118.35 3jx8 s THR 122 Ca -0.08 -0.79 -0.01 0.00 -1.21 0.00 0.00 61.69 59.60 3jx8 s THR 122 Cb -0.20 -1.34 0.03 0.00 -1.51 0.00 0.00 72.50 69.49 3jx8 s THR 122 CO -0.05 0.45 0.04 -0.69 -2.21 0.00 0.00 174.62 172.15 3jx8 s VAL 123 N -0.01 -0.03 -3.75 5.08 1.01 -0.29 -1.30 120.40 121.11 3jx8 s VAL 123 Ca -0.04 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3jx8 s VAL 123 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.09 3jx8 s VAL 123 CO 0.02 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3jx8 n GLY 124 N 4.78 0.87 0.98 4.51 0.00 -0.63 -1.22 105.19 114.47 3jx8 n GLY 124 Ca -0.15 -1.98 0.09 0.00 0.00 0.00 0.00 46.02 43.99 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 3.31 -2.85 1.61 3.41 -1.24 -1.10 113.62 116.76 3jx8 n SER 125 Ca 0.00 -1.95 -0.13 0.00 -0.26 0.00 0.00 58.87 56.53 3jx8 n SER 125 Cb 0.00 -0.30 0.09 0.00 -0.26 0.00 0.00 64.21 63.74 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 1.12 -1.52 2.80 5.00 0.00 -0.88 -4.37 105.19 107.34 3jx8 n GLY 126 Ca 0.17 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.05 1.49 -0.23 1.61 0.15 -0.49 -0.72 113.70 112.46 3jx8 s SER 127 Ca 0.32 -0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 3jx8 s SER 127 Cb -0.01 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 3jx8 s SER 127 CO 0.23 -0.16 -0.05 0.12 1.20 0.00 0.00 173.24 174.57 3jx8 s PHE 128 N 1.75 2.98 -0.07 3.44 2.19 -0.27 -0.22 117.98 127.78 3jx8 s PHE 128 Ca 0.02 -1.16 0.03 0.00 0.33 0.00 0.00 56.93 56.15 3jx8 s PHE 128 Cb -0.13 -2.09 0.01 0.00 -1.31 0.00 0.00 43.02 39.50 3jx8 s PHE 128 CO -0.04 -0.62 -0.17 0.42 1.83 0.00 0.00 175.22 176.63 3jx8 s ILE 129 N 1.42 1.48 -0.16 3.12 1.01 -0.24 -0.92 121.20 126.92 3jx8 s ILE 129 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3jx8 s ILE 129 Cb -0.15 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 3jx8 s ILE 129 CO -0.04 0.43 -0.15 -0.63 0.00 0.00 0.00 174.94 174.55 3jx8 s ILE 130 N 0.42 2.71 -0.02 2.92 1.01 -0.53 -1.27 121.20 126.44 3jx8 s ILE 130 Ca -0.13 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.83 3jx8 s ILE 130 Cb -0.15 -2.15 -0.10 0.00 0.01 0.00 0.00 42.46 40.06 3jx8 s ILE 130 CO 0.05 0.51 0.13 -1.20 0.00 0.00 0.00 174.94 174.43 3jx8 n SER 131 N 4.06 3.42 -4.93 3.58 7.64 -1.26 0.02 113.62 126.15 3jx8 n SER 131 Ca -0.19 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.44 3jx8 n SER 131 Cb 0.52 1.22 0.01 0.00 -1.01 0.00 0.00 64.21 64.95 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 -2.43 3.31 0.12 1.43 1.02 -1.26 -3.27 119.74 118.65 3jx8 s LYS 132 Ca -0.03 -0.10 -0.33 0.00 0.02 0.00 0.00 55.97 55.53 3jx8 s LYS 132 Cb 0.04 -2.45 -0.13 0.00 -0.52 0.00 0.00 37.83 34.77 3jx8 s LYS 132 CO 0.28 -0.24 1.69 -2.30 -0.92 0.00 0.00 175.35 173.86 3jx8 n PRO 133 N -2.19 2.34 -4.50 -1.68 -0.02 -1.26 -4.36 135.00 123.32 3jx8 n PRO 133 Ca 0.00 0.85 -0.29 0.00 -2.02 0.00 0.00 63.50 62.04 3jx8 n PRO 133 Cb 0.56 -2.66 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 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 1.80 1.62 -0.23 3.45 2.01 0.79 -4.95 115.64 120.14 3jx8 s THR 134 Ca 0.81 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 3jx8 s THR 134 Cb -0.63 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 3jx8 s THR 134 CO 0.40 0.47 0.13 -0.75 -0.69 0.00 0.00 174.62 174.17 3jx8 s LYS 135 N 0.95 4.01 0.06 4.92 2.20 -1.26 -1.17 119.74 129.45 3jx8 s LYS 135 Ca -0.07 -0.31 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 3jx8 s LYS 135 Cb -0.15 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3jx8 s LYS 135 CO -0.02 0.09 -0.21 0.14 -0.36 0.00 0.00 175.35 175.00 3jx8 s VAL 136 N 0.93 1.67 0.00 4.02 -7.23 0.03 -4.95 120.40 114.87 3jx8 s VAL 136 Ca 0.06 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3jx8 s VAL 136 Cb -0.13 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3jx8 s VAL 136 CO 0.03 0.12 0.00 -3.20 -0.31 0.00 0.00 175.10 171.74 3jx8 n ASN 137 N 1.61 0.00 -4.78 4.85 5.15 -1.26 -2.43 115.26 118.40 3jx8 n ASN 137 Ca -0.18 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.49 3jx8 n ASN 137 Cb 0.53 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.72 3jx8 n ASN 137 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3jx8 s ARG 138 N 0.00 2.20 -0.30 1.20 3.52 -1.26 -0.67 118.95 123.64 3jx8 s ARG 138 Ca 0.00 -2.32 -0.18 0.00 -0.13 0.00 0.00 55.73 53.10 3jx8 s ARG 138 Cb 0.00 -1.64 0.20 0.00 -1.56 0.00 0.00 34.95 31.95 3jx8 s ARG 138 CO 0.00 -0.39 1.27 -2.00 -0.81 0.00 0.00 175.30 173.37 3jx8 s GLU 140 N -3.94 0.04 -0.23 5.12 2.12 0.25 -4.55 118.70 117.51 3jx8 s GLU 140 Ca 0.12 0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.50 3jx8 s GLU 140 Cb 0.01 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.44 3jx8 s GLU 140 CO 0.07 -0.01 -0.04 0.42 -0.54 0.00 0.00 175.26 175.16 3jx8 s ILE 141 N 1.53 3.32 0.34 -3.70 1.01 0.90 -0.88 121.20 123.71 3jx8 s ILE 141 Ca -0.04 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.08 3jx8 s ILE 141 Cb -0.02 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 3jx8 s ILE 141 CO -0.13 0.35 -0.03 0.20 0.00 0.00 0.00 174.94 175.33 3jx8 s ASN 142 N 1.45 3.99 -0.30 3.58 0.01 0.79 -0.03 114.94 124.43 3jx8 s ASN 142 Ca 0.04 -1.08 -0.19 0.00 -0.71 0.00 0.00 52.86 50.92 3jx8 s ASN 142 Cb -0.15 -0.45 0.19 0.00 0.41 0.00 0.00 41.25 41.24 3jx8 s ASN 142 CO -0.03 -0.23 1.24 0.00 -1.51 0.00 0.00 177.10 176.57 3jx8 s ALA 144 N -2.56 -2.44 0.00 0.60 0.00 -0.42 -0.57 121.76 116.37 3jx8 s ALA 144 Ca 0.34 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.23 3jx8 s ALA 144 Cb 0.01 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3jx8 s ALA 144 CO 0.18 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3jx8 n GLY 145 N 2.75 0.07 0.84 0.00 0.00 -0.60 -1.61 105.19 106.64 3jx8 n GLY 145 Ca -0.15 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 43.73 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 2.81 -2.90 1.61 3.41 -1.08 -1.46 113.62 116.01 3jx8 n SER 146 Ca 0.00 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3jx8 n SER 146 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.13 -0.88 3.10 5.00 0.00 -0.26 -4.16 105.19 109.12 3jx8 n GLY 147 Ca 0.13 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.03 0.14 -0.10 1.61 4.22 0.10 -1.38 114.94 118.50 3jx8 s ASN 148 Ca 0.00 -0.43 0.03 0.00 -2.14 0.00 0.00 52.86 50.31 3jx8 s ASN 148 Cb 0.00 0.21 0.01 0.00 1.28 0.00 0.00 41.25 42.75 3jx8 s ASN 148 CO 0.00 -0.45 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.74 3jx8 s VAL 149 N -2.17 1.61 -0.15 3.54 1.01 -0.62 -1.12 120.40 122.52 3jx8 s VAL 149 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3jx8 s VAL 149 Cb -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3jx8 s VAL 149 CO -0.02 0.46 -0.15 -1.61 0.00 0.00 0.00 175.10 173.78 3jx8 s GLU 150 N 0.71 2.34 -0.64 2.72 2.02 -0.09 -0.91 118.70 124.84 3jx8 s GLU 150 Ca -0.12 -0.58 -0.16 0.00 0.02 0.00 0.00 54.97 54.13 3jx8 s GLU 150 Cb -0.16 -2.12 0.15 0.00 0.10 0.00 0.00 34.13 32.10 3jx8 s GLU 150 CO 0.03 -0.22 0.63 -0.51 0.02 0.00 0.00 175.26 175.20 3jx8 s LEU 151 N 1.45 6.20 -0.06 1.80 1.43 -0.24 -1.45 118.68 127.81 3jx8 s LEU 151 Ca 0.04 -2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 51.08 3jx8 s LEU 151 Cb -0.13 -2.23 -0.28 0.00 0.03 0.00 0.00 46.19 43.58 3jx8 s LEU 151 CO -0.10 -0.82 0.62 0.03 0.23 0.00 0.00 176.35 176.30 3jx8 h ARG 152 N 8.61 0.29 -7.48 1.70 3.08 -0.70 -0.71 114.38 119.17 3jx8 h ARG 152 Ca -0.17 -0.49 -0.48 0.00 0.07 0.00 0.00 59.98 58.91 3jx8 h ARG 152 Cb 1.08 0.18 0.08 0.00 0.08 0.00 0.00 29.97 31.39 3jx8 h ARG 152 CO 0.97 1.17 0.39 0.20 -1.07 0.00 0.00 179.97 181.62 3jx8 s GLY 153 N -5.22 1.62 0.10 0.04 0.00 -1.14 -4.60 107.32 98.11 3jx8 s GLY 153 Ca -0.15 -0.49 -0.31 0.00 0.00 0.00 0.00 44.72 43.77 3jx8 s GLY 153 CO 0.83 -0.09 1.80 2.56 0.00 0.00 0.00 173.10 178.20 3jx8 s PRO 154 N -5.39 4.15 -0.18 2.90 0.04 -1.26 -4.52 135.00 130.74 3jx8 s PRO 154 Ca 0.59 2.53 -0.03 0.00 0.04 0.00 0.00 61.00 64.13 3jx8 s PRO 154 Cb -0.11 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 3jx8 s PRO 154 CO 0.50 -0.83 -0.06 0.08 0.04 0.00 0.00 177.00 176.73 3jx8 s VAL 155 N 2.96 3.50 -0.02 -0.36 1.01 0.55 -0.15 120.40 127.88 3jx8 s VAL 155 Ca 0.80 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3jx8 s VAL 155 Cb -0.44 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.41 3jx8 s VAL 155 CO 0.36 0.47 -0.04 -0.75 0.00 0.00 0.00 175.10 175.14 3jx8 s LYS 156 N 0.82 0.56 0.00 2.72 2.20 -0.32 -0.93 119.74 124.79 3jx8 s LYS 156 Ca -0.02 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 3jx8 s LYS 156 Cb -0.15 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.58 3jx8 s LYS 156 CO 0.01 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3jx8 n GLY 157 N 3.61 -0.21 0.11 5.54 0.00 -0.70 -0.79 105.19 112.75 3jx8 n GLY 157 Ca -0.21 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.14 -2.75 1.61 3.20 -1.32 -2.21 116.97 115.36 3jx8 h TYR 158 Ca 0.00 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 3jx8 h TYR 158 Cb 0.00 0.04 -0.26 0.00 1.54 0.00 0.00 36.73 38.06 3jx8 h TYR 158 CO 0.00 0.32 -0.29 0.21 -1.64 0.00 0.00 178.16 176.76 3jx8 s LYS 159 N -2.85 0.41 -0.06 1.82 2.20 0.15 -0.89 119.74 120.52 3jx8 s LYS 159 Ca -0.11 0.64 0.05 0.00 -0.36 0.00 0.00 55.97 56.19 3jx8 s LYS 159 Cb -0.00 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 3jx8 s LYS 159 CO 0.42 -0.10 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.91 3jx8 s LEU 160 N 0.76 2.19 -0.13 5.43 2.96 -0.78 -4.14 118.68 124.97 3jx8 s LEU 160 Ca -0.04 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3jx8 s LEU 160 Cb -0.06 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.24 3jx8 s LEU 160 CO -0.05 0.25 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.37 3jx8 s GLU 161 N -0.18 2.32 -0.30 1.98 2.12 -1.26 -0.96 118.70 122.41 3jx8 s GLU 161 Ca -0.03 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.71 3jx8 s GLU 161 Cb -0.14 -2.06 0.05 0.00 0.26 0.00 0.00 34.13 32.25 3jx8 s GLU 161 CO 0.03 -0.17 0.01 0.00 -0.54 0.00 0.00 175.26 174.60 3jx8 s ASN 163 N 1.27 3.94 -0.30 0.00 0.01 0.95 -1.40 114.94 119.41 3jx8 s ASN 163 Ca -0.05 -1.28 -0.11 0.00 -0.71 0.00 0.00 52.86 50.71 3jx8 s ASN 163 Cb -0.20 -0.41 0.17 0.00 0.41 0.00 0.00 41.25 41.22 3jx8 s ASN 163 CO -0.01 -0.41 0.88 0.00 -1.51 0.00 0.00 177.10 176.05 3jx8 s ALA 165 N -2.67 -2.73 0.00 0.60 0.00 -1.26 -4.07 121.76 111.64 3jx8 s ALA 165 Ca 0.35 1.88 0.00 0.00 0.00 0.00 0.00 51.96 54.19 3jx8 s ALA 165 Cb 0.07 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 21.03 3jx8 s ALA 165 CO 0.18 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3jx8 n GLY 166 N 5.27 0.98 0.56 0.00 0.00 -0.96 -1.55 105.19 109.48 3jx8 n GLY 166 Ca -0.07 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 2.85 2.13 -3.07 1.61 3.41 -1.02 -1.30 113.62 118.22 3jx8 n SER 167 Ca 0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 3jx8 n SER 167 Cb 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.30 -0.72 3.24 5.00 0.00 -0.53 -4.32 105.19 109.15 3jx8 n GLY 168 Ca 0.09 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.07 -0.07 -0.07 1.61 4.22 -0.48 -1.61 114.94 117.47 3jx8 s ASN 169 Ca 0.00 -0.29 0.03 0.00 -2.14 0.00 0.00 52.86 50.46 3jx8 s ASN 169 Cb 0.00 0.35 0.01 0.00 1.28 0.00 0.00 41.25 42.89 3jx8 s ASN 169 CO 0.00 -0.63 -0.16 -0.63 -2.04 0.00 0.00 177.10 173.64 3jx8 s ILE 170 N -2.78 1.41 -0.05 0.54 1.01 -0.66 -1.58 121.20 119.08 3jx8 s ILE 170 Ca -0.03 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3jx8 s ILE 170 Cb -0.00 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.23 3jx8 s ILE 170 CO -0.05 0.41 -0.13 -0.51 0.00 0.00 0.00 174.94 174.66 3jx8 s ILE 171 N 0.44 1.16 -0.23 2.92 2.07 -0.08 -1.05 121.20 126.43 3jx8 s ILE 171 Ca -0.13 -0.52 0.01 0.00 -1.41 0.00 0.00 60.65 58.60 3jx8 s ILE 171 Cb -0.15 -1.04 0.04 0.00 0.13 0.00 0.00 42.46 41.44 3jx8 s ILE 171 CO 0.05 0.35 -0.13 0.00 -1.91 0.00 0.00 174.94 173.29 3jx8 s ALA 172 N 0.43 2.50 -0.53 1.50 0.00 -0.04 -1.07 121.76 124.56 3jx8 s ALA 172 Ca -0.10 -1.49 0.24 0.00 0.00 0.00 0.00 51.96 50.60 3jx8 s ALA 172 Cb -0.14 -1.45 0.40 0.00 0.00 0.00 0.00 23.12 21.93 3jx8 s ALA 172 CO 0.03 -0.79 1.47 0.87 0.00 0.00 0.00 175.76 177.33 3jx8 h LYS 173 N 7.89 0.00 -0.93 0.00 1.57 -1.37 -1.43 116.57 122.29 3jx8 h LYS 173 Ca -0.32 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 3jx8 h LYS 173 Cb 1.09 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.23 3jx8 h LYS 173 CO 0.55 0.00 -0.45 0.34 -0.57 0.00 0.00 179.45 179.33 3jx8 s ASP 174 N -5.06 -1.39 0.07 0.86 -1.08 -1.13 -4.59 116.67 104.35 3jx8 s ASP 174 Ca 0.06 -1.28 0.05 0.00 -0.52 0.00 0.00 52.55 50.86 3jx8 s ASP 174 Cb 0.10 1.80 -0.04 0.00 -1.46 0.00 0.00 42.92 43.32 3jx8 s ASP 174 CO 0.69 -0.09 -0.03 0.27 0.52 0.00 0.00 175.17 176.52 3jx8 s ILE 175 N 1.26 3.83 -0.26 4.11 -4.36 0.15 -0.33 121.20 125.60 3jx8 s ILE 175 Ca 0.24 -0.96 -0.03 0.00 -0.26 0.00 0.00 60.65 59.64 3jx8 s ILE 175 Cb -0.01 -2.78 0.10 0.00 1.25 0.00 0.00 42.46 41.03 3jx8 s ILE 175 CO -0.06 0.20 0.19 -1.58 0.24 0.00 0.00 174.94 173.92 3jx8 s GLN 176 N -2.03 0.21 0.01 0.37 0.74 -0.11 -1.14 119.66 117.71 3jx8 s GLN 176 Ca 0.23 -0.23 -0.01 0.00 0.05 0.00 0.00 55.36 55.39 3jx8 s GLN 176 Cb -0.11 -1.12 -0.01 0.00 1.10 0.00 0.00 33.01 32.86 3jx8 s GLN 176 CO 0.14 -0.91 0.00 -0.51 -0.55 0.00 0.00 175.29 173.47 3jx8 s LEU 177 N 2.22 2.09 0.09 3.68 1.43 -0.86 -1.71 118.68 125.62 3jx8 s LEU 177 Ca 0.08 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.66 3jx8 s LEU 177 Cb -0.15 0.18 -0.10 0.00 0.03 0.00 0.00 46.19 46.14 3jx8 s LEU 177 CO -0.28 -0.26 1.39 0.44 0.23 0.00 0.00 176.35 177.87 3jx8 h ASP 178 N 4.85 0.75 -3.81 2.29 3.32 -1.14 -1.93 116.42 120.75 3jx8 h ASP 178 Ca -0.30 -0.50 -0.35 0.00 0.02 0.00 0.00 57.03 55.89 3jx8 h ASP 178 Cb 1.21 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 40.25 3jx8 h ASP 178 CO 0.42 1.11 -0.76 0.20 -1.72 0.00 0.00 179.24 178.49 3jx8 s ASN 179 N -6.60 0.69 -0.06 6.45 0.01 -0.07 -1.72 114.94 113.64 3jx8 s ASN 179 Ca -0.12 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 51.95 3jx8 s ASN 179 Cb 0.08 -0.15 0.01 0.00 0.41 0.00 0.00 41.25 41.60 3jx8 s ASN 179 CO 0.83 0.03 -0.11 -0.22 -1.51 0.00 0.00 177.10 176.12 3jx8 s LEU 180 N 0.14 1.63 -0.10 0.60 2.96 -0.24 -1.87 118.68 121.80 3jx8 s LEU 180 Ca -0.01 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3jx8 s LEU 180 Cb -0.05 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.87 3jx8 s LEU 180 CO -0.00 0.03 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.40 3jx8 s SER 181 N 0.65 2.13 -0.10 3.68 0.15 -0.14 -0.94 113.70 119.14 3jx8 s SER 181 Ca -0.14 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.20 3jx8 s SER 181 Cb -0.15 -0.91 0.01 0.00 -1.71 0.00 0.00 66.02 63.26 3jx8 s SER 181 CO 0.03 -0.04 -0.17 0.00 1.20 0.00 0.00 173.24 174.27 3jx8 s SER 183 N 0.84 2.08 -0.15 0.00 0.01 -0.49 -0.44 113.70 115.55 3jx8 s SER 183 Ca -0.09 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 56.86 3jx8 s SER 183 Cb -0.15 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.22 3jx8 s SER 183 CO 0.00 -0.05 -0.19 -0.22 0.41 0.00 0.00 173.24 173.20 3jx8 s LEU 184 N 1.27 1.97 -0.02 2.44 2.96 0.88 -4.21 118.68 123.97 3jx8 s LEU 184 Ca -0.03 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3jx8 s LEU 184 Cb -0.14 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3jx8 s LEU 184 CO -0.04 0.02 -0.09 0.00 -1.32 0.00 0.00 176.35 174.93 3jx8 s ALA 185 N 1.11 2.93 0.00 5.97 0.00 -1.26 -0.21 121.76 130.30 3jx8 s ALA 185 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3jx8 s ALA 185 Cb -0.14 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3jx8 s ALA 185 CO -0.07 0.59 0.00 0.45 0.00 0.00 0.00 175.76 176.74 3jx8 n SER 186 N 1.81 0.00 -0.88 0.00 2.88 -0.80 -2.27 113.62 114.36 3jx8 n SER 186 Ca -0.16 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.48 3jx8 n SER 186 Cb 0.53 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.88 2.88 -3.20 -3.46 3.41 -1.17 -1.34 113.62 111.62 3jx8 n SER 187 Ca 0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3jx8 n SER 187 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.20 -0.54 3.25 5.00 0.00 -0.42 -4.21 105.19 109.48 3jx8 n GLY 188 Ca 0.14 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 0.39 -0.09 1.61 2.12 -0.64 -1.66 118.70 120.44 3jx8 s GLU 189 Ca 0.00 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.01 3jx8 s GLU 189 Cb 0.00 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.47 3jx8 s GLU 189 CO 0.00 -0.11 -0.22 0.42 -0.54 0.00 0.00 175.26 174.81 3jx8 s ILE 190 N 0.82 1.87 -0.07 -3.70 1.01 -0.55 -1.65 121.20 118.93 3jx8 s ILE 190 Ca -0.05 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3jx8 s ILE 190 Cb -0.06 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.80 3jx8 s ILE 190 CO -0.06 0.52 -0.13 -0.70 0.00 0.00 0.00 174.94 174.57 3jx8 s GLU 191 N 0.37 1.80 -0.02 2.79 2.12 -0.22 0.08 118.70 125.63 3jx8 s GLU 191 Ca -0.17 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.73 3jx8 s GLU 191 Cb -0.17 -1.51 0.01 0.00 0.26 0.00 0.00 34.13 32.72 3jx8 s GLU 191 CO 0.08 0.00 -0.03 0.14 -0.54 0.00 0.00 175.26 174.91 3jx8 s VAL 192 N 0.76 0.33 -0.06 3.70 -7.23 -0.56 -0.86 120.40 116.50 3jx8 s VAL 192 Ca -0.13 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 3jx8 s VAL 192 Cb -0.16 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.46 3jx8 s VAL 192 CO 0.03 0.14 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.26 3jx8 s ILE 193 N 0.47 0.72 -0.93 -0.62 1.01 -0.54 -3.61 121.20 117.70 3jx8 s ILE 193 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3jx8 s ILE 193 Cb -0.08 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.67 3jx8 s ILE 193 CO -0.01 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3jx8 n GLY 194 N 4.10 0.13 2.94 6.18 0.00 -0.40 -0.68 105.19 117.47 3jx8 n GLY 194 Ca -0.23 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.00 0.33 0.01 2.61 -4.23 -0.29 -0.37 115.64 109.70 3jx8 s THR 195 Ca 0.00 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 3jx8 s THR 195 Cb 0.00 -0.28 -0.00 0.00 1.34 0.00 0.00 72.50 73.55 3jx8 s THR 195 CO 0.00 0.09 0.10 0.68 -0.54 0.00 0.00 174.62 174.95 3jx8 s VAL 196 N -0.11 0.10 -0.10 2.29 -7.23 -0.40 -2.02 120.40 112.93 3jx8 s VAL 196 Ca 0.01 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.30 3jx8 s VAL 196 Cb -0.02 -0.49 -0.07 0.00 0.56 0.00 0.00 36.38 36.37 3jx8 s VAL 196 CO -0.00 -0.44 0.28 -0.78 -0.31 0.00 0.00 175.10 173.84 3jx8 h ASP 197 N 4.21 -0.07 -3.31 4.85 3.58 -1.33 -2.63 116.42 121.72 3jx8 h ASP 197 Ca -0.31 -0.20 -0.67 0.00 0.42 0.00 0.00 57.03 56.27 3jx8 h ASP 197 Cb 1.19 0.02 -0.31 0.00 1.72 0.00 0.00 39.33 41.95 3jx8 h ASP 197 CO 0.42 0.52 -0.84 -0.13 -2.88 0.00 0.00 179.24 176.33 3jx8 s ARG 198 N -2.02 3.15 0.04 0.28 0.52 -0.70 -1.59 118.95 118.62 3jx8 s ARG 198 Ca -0.05 -0.81 0.09 0.00 -0.52 0.00 0.00 55.73 54.43 3jx8 s ARG 198 Cb -0.00 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 3jx8 s ARG 198 CO 0.18 0.14 -0.25 0.00 0.02 0.00 0.00 175.30 175.40 3jx8 s ALA 199 N 0.47 2.12 -0.10 2.13 0.00 -0.14 -1.08 121.76 125.17 3jx8 s ALA 199 Ca -0.14 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 3jx8 s ALA 199 Cb -0.17 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.53 3jx8 s ALA 199 CO 0.06 0.50 -0.07 0.45 0.00 0.00 0.00 175.76 176.70 3jx8 s SER 200 N -1.18 1.94 -0.14 0.00 0.15 -0.11 -1.24 113.70 113.11 3jx8 s SER 200 Ca 0.11 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.52 3jx8 s SER 200 Cb -0.10 -0.75 0.02 0.00 -1.71 0.00 0.00 66.02 63.48 3jx8 s SER 200 CO 0.02 -0.11 -0.18 -0.36 1.20 0.00 0.00 173.24 173.81 3jx8 s PHE 201 N 1.55 2.41 -0.05 3.44 0.08 0.63 -0.53 117.98 125.52 3jx8 s PHE 201 Ca 0.01 -1.29 0.01 0.00 0.12 0.00 0.00 56.93 55.79 3jx8 s PHE 201 Cb -0.13 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3jx8 s PHE 201 CO -0.06 -0.64 -0.07 -0.80 -0.10 0.00 0.00 175.22 173.56 3jx8 s ASN 202 N 1.13 1.17 -0.09 1.36 0.01 0.42 -0.99 114.94 117.94 3jx8 s ASN 202 Ca -0.01 -0.18 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 3jx8 s ASN 202 Cb -0.14 -0.56 0.01 0.00 0.41 0.00 0.00 41.25 40.97 3jx8 s ASN 202 CO -0.07 -0.02 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.65 3jx8 s VAL 203 N 0.81 1.51 -0.45 1.60 1.01 -0.28 -0.09 120.40 124.51 3jx8 s VAL 203 Ca -0.13 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3jx8 s VAL 203 Cb -0.15 -1.35 0.13 0.00 0.00 0.00 0.00 36.38 35.01 3jx8 s VAL 203 CO 0.01 0.44 0.22 0.00 0.00 0.00 0.00 175.10 175.77 3jx8 s ALA 204 N 0.69 2.58 0.00 5.51 0.00 0.70 -0.79 121.76 130.46 3jx8 s ALA 204 Ca -0.13 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.06 3jx8 s ALA 204 Cb -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.99 3jx8 s ALA 204 CO 0.03 -1.99 0.00 0.41 0.00 0.00 0.00 175.76 174.21 3jx8 n GLY 205 N 3.54 0.84 0.71 0.00 0.00 -0.63 -1.90 105.19 107.76 3jx8 n GLY 205 Ca 0.06 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 0.48 2.41 -2.73 1.61 3.41 -1.13 -0.09 113.62 117.57 3jx8 n SER 206 Ca 0.00 -1.72 -0.08 0.00 -0.26 0.00 0.00 58.87 56.81 3jx8 n SER 206 Cb 0.00 0.19 0.07 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.36 -2.20 2.87 5.00 0.00 -0.45 -4.36 105.19 107.43 3jx8 n GLY 207 Ca 0.12 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.74 0.19 -0.19 1.61 2.12 -0.66 -1.46 118.70 116.57 3jx8 s GLU 208 Ca 0.21 -0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.47 3jx8 s GLU 208 Cb -0.02 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.09 3jx8 s GLU 208 CO 0.15 -0.01 -0.01 0.42 -0.54 0.00 0.00 175.26 175.27 3jx8 s ILE 209 N 0.30 3.95 -0.38 -3.70 1.01 0.04 -1.48 121.20 120.94 3jx8 s ILE 209 Ca -0.03 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3jx8 s ILE 209 Cb -0.05 -2.77 0.06 0.00 0.01 0.00 0.00 42.46 39.71 3jx8 s ILE 209 CO -0.01 0.45 0.19 -0.54 0.00 0.00 0.00 174.94 175.03 3jx8 s LYS 210 N 0.80 2.60 -0.02 2.79 1.02 0.11 -1.27 119.74 125.77 3jx8 s LYS 210 Ca 0.00 -1.33 0.07 0.00 0.02 0.00 0.00 55.97 54.74 3jx8 s LYS 210 Cb -0.14 -3.64 0.13 0.00 -0.52 0.00 0.00 37.83 33.66 3jx8 s LYS 210 CO 0.02 -0.82 1.06 0.00 -0.92 0.00 0.00 175.35 174.69 3jx8 n ALA 211 N 4.87 2.15 0.26 5.17 0.00 0.26 -1.49 120.51 131.72 3jx8 n ALA 211 Ca -0.11 -1.50 0.15 0.00 0.00 0.00 0.00 53.44 51.99 3jx8 n ALA 211 Cb 0.44 -0.53 0.87 0.00 0.00 0.00 0.00 19.45 20.22 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 0.23 0.00 -0.51 0.00 0.04 -1.80 -1.05 116.94 113.85 3jx8 h PHE 212 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3jx8 h PHE 212 Cb 1.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.60 3jx8 h PHE 212 CO 0.13 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 177.59 3jx8 n ASP 213 N -3.89 4.65 -4.16 2.17 9.92 -1.26 -4.60 116.55 119.38 3jx8 n ASP 213 Ca -0.01 -2.67 -0.37 0.00 -0.53 0.00 0.00 54.79 51.20 3jx8 n ASP 213 Cb 0.16 -0.57 -0.11 0.00 -0.64 0.00 0.00 41.12 39.97 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 1.23 3.59 -0.00 0.00 0.74 0.50 -4.27 119.66 121.44 3jx8 s GLN 215 Ca 0.06 0.83 -0.01 0.00 0.05 0.00 0.00 55.36 56.30 3jx8 s GLN 215 Cb -0.23 -4.01 -0.04 0.00 1.10 0.00 0.00 33.01 29.83 3jx8 s GLN 215 CO -0.03 -1.55 0.12 0.00 -0.55 0.00 0.00 175.29 173.28 3jx8 s ALA 216 N 5.26 3.71 -0.08 1.58 0.00 -0.56 -1.27 121.76 130.39 3jx8 s ALA 216 Ca 0.58 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 3jx8 s ALA 216 Cb -0.12 -1.68 -0.20 0.00 0.00 0.00 0.00 23.12 21.13 3jx8 s ALA 216 CO 0.32 0.71 0.86 -0.09 0.00 0.00 0.00 175.76 177.57 3jx8 h ARG 217 N 3.95 -0.06 -5.50 0.00 2.43 -0.99 0.14 114.38 114.34 3jx8 h ARG 217 Ca -0.49 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.04 3jx8 h ARG 217 Cb 1.18 0.01 -0.32 0.00 -0.42 0.00 0.00 29.97 30.42 3jx8 h ARG 217 CO 0.65 0.59 -0.87 0.15 -1.51 0.00 0.00 179.97 178.98 3jx8 s LYS 218 N -3.00 2.52 -0.01 0.20 1.02 -0.62 -0.35 119.74 119.50 3jx8 s LYS 218 Ca -0.15 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.06 3jx8 s LYS 218 Cb -0.01 -2.03 -0.00 0.00 -0.52 0.00 0.00 37.83 35.26 3jx8 s LYS 218 CO 0.58 0.25 -0.07 0.00 -0.92 0.00 0.00 175.35 175.19 3jx8 s ALA 219 N 0.14 0.56 -0.13 5.17 0.00 0.01 -0.96 121.76 126.55 3jx8 s ALA 219 Ca -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 3jx8 s ALA 219 Cb -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3jx8 s ALA 219 CO 0.05 0.13 -0.13 -2.00 0.00 0.00 0.00 175.76 173.82 3jx8 s GLU 220 N -0.14 3.38 -0.11 0.00 2.12 -0.38 -0.47 118.70 123.11 3jx8 s GLU 220 Ca 0.02 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.67 3jx8 s GLU 220 Cb -0.03 -2.63 0.02 0.00 0.26 0.00 0.00 34.13 31.75 3jx8 s GLU 220 CO -0.00 0.21 -0.12 0.00 -0.54 0.00 0.00 175.26 174.81 3jx8 s ASN 222 N 1.23 2.12 -0.11 0.00 0.01 -0.16 -0.39 114.94 117.63 3jx8 s ASN 222 Ca -0.03 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 3jx8 s ASN 222 Cb -0.14 -0.93 -0.00 0.00 0.41 0.00 0.00 41.25 40.59 3jx8 s ASN 222 CO -0.04 -0.02 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.69 3jx8 s ILE 223 N 1.07 2.31 -0.17 0.60 1.01 -0.04 -1.13 121.20 124.86 3jx8 s ILE 223 Ca -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 3jx8 s ILE 223 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 3jx8 s ILE 223 CO -0.02 0.55 -0.05 0.00 0.00 0.00 0.00 174.94 175.42 3jx8 s ALA 224 N 0.39 2.89 0.00 9.38 0.00 0.03 -0.13 121.76 134.32 3jx8 s ALA 224 Ca -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3jx8 s ALA 224 Cb -0.17 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3jx8 s ALA 224 CO 0.07 0.07 0.00 -1.13 0.00 0.00 0.00 175.76 174.77 3jx8 n SER 225 N 3.84 0.00 -0.93 0.00 3.41 0.30 -1.60 113.62 118.64 3jx8 n SER 225 Ca -0.18 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3jx8 n SER 225 Cb 0.52 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.66 3jx8 n SER 225 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx8 n SER 226 N 5.16 3.15 -3.40 4.04 3.41 -1.16 -1.03 113.62 123.79 3jx8 n SER 226 Ca 0.00 -1.91 -0.27 0.00 -0.26 0.00 0.00 58.87 56.42 3jx8 n SER 226 Cb 0.00 -0.24 0.24 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.10 -3.01 2.99 5.00 0.00 0.88 -4.31 105.19 107.84 3jx8 n GLY 227 Ca 0.16 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 3jx8 n GLY 227 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jx8 s GLU 228 N -5.18 0.35 -0.04 1.61 2.02 -0.54 -1.68 118.70 115.24 3jx8 s GLU 228 Ca 0.64 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 55.11 3jx8 s GLU 228 Cb -0.07 -0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.08 3jx8 s GLU 228 CO 0.50 0.01 -0.07 0.42 0.02 0.00 0.00 175.26 176.14 3jx8 s ILE 229 N -1.10 0.67 -0.24 -1.63 1.01 -0.75 -0.78 121.20 118.37 3jx8 s ILE 229 Ca -0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 3jx8 s ILE 229 Cb -0.08 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 3jx8 s ILE 229 CO -0.00 0.24 0.02 -0.44 0.00 0.00 0.00 174.94 174.76 3jx8 s SER 230 N 0.67 4.75 0.05 3.58 0.01 -0.39 -1.05 113.70 121.31 3jx8 s SER 230 Ca -0.10 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 56.83 3jx8 s SER 230 Cb -0.13 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 3jx8 s SER 230 CO 0.01 -0.05 -0.14 0.54 0.41 0.00 0.00 173.24 174.00 3jx8 s VAL 231 N 1.53 1.14 -0.24 3.43 0.11 -0.04 -0.58 120.40 125.75 3jx8 s VAL 231 Ca 0.05 -1.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.04 3jx8 s VAL 231 Cb -0.15 -1.05 0.06 0.00 -1.53 0.00 0.00 36.38 33.71 3jx8 s VAL 231 CO 0.00 -0.04 -0.10 -0.47 -3.33 0.00 0.00 175.10 171.17 3jx8 s TYR 232 N -0.94 2.94 -0.05 1.54 5.04 -1.23 -1.13 117.35 123.52 3jx8 s TYR 232 Ca 0.01 -2.08 0.03 0.00 -2.44 0.00 0.00 57.07 52.58 3jx8 s TYR 232 Cb -0.08 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.42 3jx8 s TYR 232 CO 0.02 -0.84 -0.12 0.00 -1.34 0.00 0.00 175.55 173.27 3jx8 s ALA 233 N 1.21 1.17 -0.15 3.97 0.00 -1.07 -1.50 121.76 125.40 3jx8 s ALA 233 Ca -0.07 -0.43 0.09 0.00 0.00 0.00 0.00 51.96 51.56 3jx8 s ALA 233 Cb -0.19 -0.47 -0.23 0.00 0.00 0.00 0.00 23.12 22.22 3jx8 s ALA 233 CO -0.06 0.15 0.26 0.25 0.00 0.00 0.00 175.76 176.36 3jx8 n THR 234 N 3.53 1.55 -0.06 0.00 -2.24 0.47 -3.55 114.28 113.98 3jx8 n THR 234 Ca -0.21 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.70 3jx8 n THR 234 Cb 0.53 -1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 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 -3.06 0.24 -3.83 -0.78 7.27 0.52 -3.55 117.38 114.20 3jx8 n GLN 235 Ca -0.30 0.10 -0.16 0.00 0.07 0.00 0.00 57.00 56.71 3jx8 n GLN 235 Cb 1.08 -0.95 -0.16 0.00 2.41 0.00 0.00 30.24 32.61 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 -2.21 0.03 -0.07 1.69 -1.09 -0.79 -1.45 121.20 117.31 3jx8 s ILE 236 Ca -0.16 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 3jx8 s ILE 236 Cb 0.06 -0.15 0.02 0.00 -1.58 0.00 0.00 42.46 40.81 3jx8 s ILE 236 CO 0.21 0.11 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.72 3jx8 s LEU 237 N 1.03 1.37 -0.31 2.97 2.96 -0.46 -0.81 118.68 125.44 3jx8 s LEU 237 Ca -0.09 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3jx8 s LEU 237 Cb -0.13 -0.70 0.04 0.00 0.50 0.00 0.00 46.19 45.90 3jx8 s LEU 237 CO -0.02 -0.04 0.03 -0.62 -1.32 0.00 0.00 176.35 174.37 3jx8 s ASP 238 N 1.08 4.99 -0.23 3.68 -1.08 0.38 -0.72 116.67 124.78 3jx8 s ASP 238 Ca -0.07 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 3jx8 s ASP 238 Cb -0.14 -1.76 0.03 0.00 -1.46 0.00 0.00 42.92 39.59 3jx8 s ASP 238 CO -0.01 -0.27 -0.12 0.00 0.52 0.00 0.00 175.17 175.29 3jx8 s ALA 239 N 1.31 2.54 -0.08 3.66 0.00 0.17 -0.51 121.76 128.86 3jx8 s ALA 239 Ca -0.04 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.48 3jx8 s ALA 239 Cb -0.19 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3jx8 s ALA 239 CO 0.00 -0.74 -0.08 -0.80 0.00 0.00 0.00 175.76 174.15 3jx8 s ASN 240 N 1.26 1.68 -0.06 0.00 0.01 0.47 -1.11 114.94 117.18 3jx8 s ASN 240 Ca -0.00 -0.24 0.02 0.00 -0.71 0.00 0.00 52.86 51.93 3jx8 s ASN 240 Cb -0.16 -0.70 0.01 0.00 0.41 0.00 0.00 41.25 40.81 3jx8 s ASN 240 CO -0.08 -0.06 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.70 3jx8 s ILE 241 N 1.18 1.13 -0.33 0.60 1.01 0.32 -0.86 121.20 124.25 3jx8 s ILE 241 Ca -0.06 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3jx8 s ILE 241 Cb -0.14 -1.03 0.09 0.00 0.01 0.00 0.00 42.46 41.39 3jx8 s ILE 241 CO -0.02 0.35 0.04 -0.69 0.00 0.00 0.00 174.94 174.63 3jx8 s VAL 242 N 0.67 2.40 -3.32 2.92 1.01 0.81 -4.12 120.40 120.77 3jx8 s VAL 242 Ca -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.65 3jx8 s VAL 242 Cb -0.16 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3jx8 s VAL 242 CO 0.04 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.24 3jx8 n GLY 243 N 4.33 0.67 0.95 4.51 0.00 -1.26 -0.54 105.19 113.84 3jx8 n GLY 243 Ca 0.00 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 3.03 -3.86 1.61 3.41 -1.03 -1.40 113.62 115.37 3jx8 n SER 244 Ca 0.00 -1.92 -0.30 0.00 -0.26 0.00 0.00 58.87 56.40 3jx8 n SER 244 Cb 0.00 -0.11 0.26 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.59 1.51 -0.00 5.00 0.00 -0.20 -4.13 107.32 107.91 3jx8 s GLY 245 Ca 0.30 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3jx8 s GLY 245 CO 0.28 0.16 0.00 -0.54 0.00 0.00 0.00 173.10 173.00 3jx8 s GLU 246 N -5.09 0.00 -0.18 2.90 2.02 -0.68 -1.71 118.70 115.97 3jx8 s GLU 246 Ca 0.69 0.03 -0.01 0.00 0.02 0.00 0.00 54.97 55.70 3jx8 s GLU 246 Cb -0.14 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.03 3jx8 s GLU 246 CO 0.58 -0.03 -0.13 0.42 0.02 0.00 0.00 175.26 176.12 3jx8 s ILE 247 N 0.22 2.76 -0.19 -1.63 1.01 -0.48 -1.81 121.20 121.08 3jx8 s ILE 247 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3jx8 s ILE 247 Cb -0.03 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3jx8 s ILE 247 CO -0.01 0.49 -0.03 -1.00 0.00 0.00 0.00 174.94 174.40 3jx8 s HIS 248 N 1.14 2.99 0.08 3.97 3.76 -0.21 -1.07 115.29 125.95 3jx8 s HIS 248 Ca 0.01 -0.56 0.07 0.00 -0.15 0.00 0.00 55.06 54.42 3jx8 s HIS 248 Cb -0.14 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 3jx8 s HIS 248 CO -0.04 -0.28 -0.18 1.52 -0.85 0.00 0.00 174.74 174.91 3jx8 s TYR 249 N 0.95 1.56 0.31 1.40 1.13 0.17 -0.86 117.35 122.01 3jx8 s TYR 249 Ca 0.00 -0.43 0.04 0.00 -1.41 0.00 0.00 57.07 55.28 3jx8 s TYR 249 Cb -0.14 -0.87 -0.06 0.00 -1.10 0.00 0.00 41.96 39.78 3jx8 s TYR 249 CO 0.01 0.14 0.04 -1.59 -2.51 0.00 0.00 175.55 171.64 3jx8 s LYS 250 N -1.76 1.62 0.00 -3.49 -2.85 -0.28 -0.58 119.74 112.40 3jx8 s LYS 250 Ca 0.03 -1.89 0.00 0.00 -1.00 0.00 0.00 55.97 53.12 3jx8 s LYS 250 Cb -0.10 -0.90 0.00 0.00 -2.06 0.00 0.00 37.83 34.77 3jx8 s LYS 250 CO 0.03 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.74 3jx8 n GLY 251 N -0.66 0.10 2.84 0.59 0.00 -1.26 -2.60 105.19 104.19 3jx8 n GLY 251 Ca -0.03 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.34 4.33 -4.56 1.61 8.00 -1.25 -4.96 116.55 119.37 3jx8 n ASP 252 Ca 0.00 -3.65 -0.29 0.00 0.71 0.00 0.00 54.79 51.55 3jx8 n ASP 252 Cb 0.00 -0.55 0.13 0.00 -0.02 0.00 0.00 41.12 40.68 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 -3.43 1.38 -0.30 -0.24 0.04 -1.23 -4.75 135.00 126.47 3jx8 s PRO 253 Ca 0.48 -0.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.12 3jx8 s PRO 253 Cb 0.30 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.94 3jx8 s PRO 253 CO -0.14 -1.95 0.99 -1.21 0.04 0.00 0.00 177.00 174.73 3jx8 s GLU 254 N -5.71 4.07 -0.13 4.56 2.02 -0.53 -4.88 118.70 118.11 3jx8 s GLU 254 Ca 0.67 0.98 -0.08 0.00 0.02 0.00 0.00 54.97 56.56 3jx8 s GLU 254 Cb -0.08 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 3jx8 s GLU 254 CO 0.51 -0.79 0.16 -1.50 0.02 0.00 0.00 175.26 173.65 3jx8 s ILE 255 N 3.38 5.46 -0.19 -1.63 2.07 -1.26 -1.36 121.20 127.68 3jx8 s ILE 255 Ca 0.41 0.25 -0.05 0.00 -1.41 0.00 0.00 60.65 59.86 3jx8 s ILE 255 Cb -0.13 -3.44 -0.03 0.00 0.13 0.00 0.00 42.46 39.00 3jx8 s ILE 255 CO 0.13 0.58 -0.00 -0.44 -1.91 0.00 0.00 174.94 173.30 3jx8 s SER 256 N -0.75 4.86 -0.08 4.50 0.01 0.10 -4.98 113.70 117.36 3jx8 s SER 256 Ca 0.14 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.24 3jx8 s SER 256 Cb -0.12 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 3jx8 s SER 256 CO 0.03 0.09 -0.09 -0.54 0.41 0.00 0.00 173.24 173.15 3jx8 s LYS 257 N 0.84 2.89 -0.23 12.44 1.02 -1.26 -0.65 119.74 134.79 3jx8 s LYS 257 Ca 0.01 -0.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 3jx8 s LYS 257 Cb -0.14 -2.60 0.12 0.00 -0.52 0.00 0.00 37.83 34.69 3jx8 s LYS 257 CO 0.02 0.55 0.36 0.45 -0.92 0.00 0.00 175.35 175.81 3jx8 s SER 258 N -0.52 0.29 0.39 2.83 0.15 -0.27 -4.99 113.70 111.60 3jx8 s SER 258 Ca 0.07 0.29 0.01 0.00 0.70 0.00 0.00 55.95 57.02 3jx8 s SER 258 Cb -0.12 1.06 -0.00 0.00 -1.71 0.00 0.00 66.02 65.25 3jx8 s SER 258 CO 0.02 -0.29 0.02 -0.38 1.20 0.00 0.00 173.24 173.81 3jx8 n ILE 259 N 5.36 0.00 -3.28 6.45 5.41 -1.26 -0.52 119.36 131.52 3jx8 n ILE 259 Ca -0.04 -1.94 0.00 0.00 1.00 0.00 0.00 62.75 61.77 3jx8 n ILE 259 Cb 0.50 0.45 0.00 0.00 -0.71 0.00 0.00 39.64 39.88 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 -0.45 0.35 7.39 0.00 -1.26 -4.99 105.19 106.27 3jx8 n GLY 261 Ca -0.15 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.34 1.08 -3.81 1.61 3.41 -1.10 -4.93 113.62 106.54 3jx8 n SER 262 Ca 0.00 -1.45 -0.30 0.00 -0.26 0.00 0.00 58.87 56.87 3jx8 n SER 262 Cb 0.00 -0.03 0.26 0.00 -0.26 0.00 0.00 64.21 64.19 3jx8 n SER 262 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3jx8 s GLY 263 N -1.84 1.49 0.16 5.00 0.00 -0.50 -4.85 107.32 106.78 3jx8 s GLY 263 Ca 0.37 -0.70 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 3jx8 s GLY 263 CO 0.31 0.21 0.44 -1.35 0.00 0.00 0.00 173.10 172.71 3jx8 s SER 264 N -3.23 -0.23 -0.03 1.64 1.04 -0.69 -4.97 113.70 107.23 3jx8 s SER 264 Ca 0.69 -0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.77 3jx8 s SER 264 Cb -0.15 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 3jx8 s SER 264 CO 0.59 -0.94 -0.25 -0.63 0.98 0.00 0.00 173.24 173.00 3jx8 s ILE 265 N -3.84 1.95 -0.10 -1.02 1.01 -1.26 -1.38 121.20 116.56 3jx8 s ILE 265 Ca 0.07 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 3jx8 s ILE 265 Cb 0.01 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.88 3jx8 s ILE 265 CO -0.07 0.55 0.29 0.54 0.00 0.00 0.00 174.94 176.25 3jx8 s ASN 266 N -0.47 -0.29 -0.13 3.58 4.22 -0.23 -4.98 114.94 116.64 3jx8 s ASN 266 Ca 0.06 0.53 -0.11 0.00 -2.14 0.00 0.00 52.86 51.20 3jx8 s ASN 266 Cb -0.10 0.57 -0.05 0.00 1.28 0.00 0.00 41.25 42.94 3jx8 s ASN 266 CO 0.00 -0.14 0.23 -0.75 -2.04 0.00 0.00 177.10 174.40 3jx8 s LYS 267 N -0.01 3.92 0.21 3.55 2.20 -1.26 -0.66 119.74 127.70 3jx8 s LYS 267 Ca -0.02 0.01 0.10 0.00 -0.36 0.00 0.00 55.97 55.71 3jx8 s LYS 267 Cb -0.02 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 3jx8 s LYS 267 CO 0.01 0.50 -0.19 0.14 -0.36 0.00 0.00 175.35 175.45 3jx8 s VAL 268 N -0.30 2.08 -2.00 4.02 -7.23 0.25 -4.91 120.40 112.32 3jx8 s VAL 268 Ca 0.16 -2.15 0.22 0.00 -1.81 0.00 0.00 61.98 58.40 3jx8 s VAL 268 Cb -0.13 -2.07 0.63 0.00 0.56 0.00 0.00 36.38 35.37 3jx8 s VAL 268 CO 0.04 -0.37 1.69 0.29 -0.31 0.00 0.00 175.10 176.44