#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx8 s ARG 25 N 0.00 4.23 -0.15 1.64 3.52 -1.26 0.53 118.95 127.46 3jx8 s ARG 25 Ca 0.00 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 3jx8 s ARG 25 Cb 0.00 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 3jx8 s ARG 25 CO 0.00 -0.07 -0.14 0.42 -0.81 0.00 0.00 175.30 174.70 3jx8 s ILE 26 N 1.38 1.56 0.02 4.11 -1.09 0.36 -4.95 121.20 122.59 3jx8 s ILE 26 Ca 0.25 -0.62 -0.19 0.00 -2.23 0.00 0.00 60.65 57.85 3jx8 s ILE 26 Cb -0.15 -1.47 -0.06 0.00 -1.58 0.00 0.00 42.46 39.20 3jx8 s ILE 26 CO 0.10 0.46 0.55 -1.81 -1.23 0.00 0.00 174.94 173.01 3jx8 s ASP 27 N 1.49 6.97 0.42 3.58 1.01 -1.26 -0.68 116.67 128.19 3jx8 s ASP 27 Ca 0.05 1.15 -0.27 0.00 0.71 0.00 0.00 52.55 54.20 3jx8 s ASP 27 Cb -0.13 -2.34 -0.10 0.00 1.01 0.00 0.00 42.92 41.36 3jx8 s ASP 27 CO -0.11 0.19 1.46 -0.83 0.21 0.00 0.00 175.17 176.10 3jx8 s GLY 28 N -0.62 2.93 0.00 0.21 0.00 0.05 -4.90 107.32 104.98 3jx8 s GLY 28 Ca 0.29 1.53 0.23 0.00 0.00 0.00 0.00 44.72 46.77 3jx8 s GLY 28 CO 0.17 2.19 1.73 1.16 0.00 0.00 0.00 173.10 178.35 3jx8 n ASN 29 N 0.10 0.88 0.00 1.64 6.94 -1.26 -4.79 115.26 118.77 3jx8 n ASN 29 Ca 0.03 -1.48 0.00 0.00 -0.02 0.00 0.00 54.58 53.11 3jx8 n ASN 29 Cb 0.40 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 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 1.01 0.75 3.06 4.83 0.00 -1.26 -5.00 105.19 108.58 3jx8 n GLY 30 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.50 5.02 0.28 1.61 0.01 -1.26 -5.05 114.94 113.05 3jx8 s ASN 31 Ca 0.00 -2.87 -0.29 0.00 -0.71 0.00 0.00 52.86 48.99 3jx8 s ASN 31 Cb 0.00 -1.80 -0.10 0.00 0.41 0.00 0.00 41.25 39.76 3jx8 s ASN 31 CO 0.00 -0.34 1.15 -2.16 -1.51 0.00 0.00 177.10 174.24 3jx8 s PRO 32 N -0.09 4.58 -0.02 -0.60 0.04 -1.26 -0.57 135.00 137.08 3jx8 s PRO 32 Ca 0.17 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.14 3jx8 s PRO 32 Cb -0.22 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 3jx8 s PRO 32 CO -0.03 0.11 -0.14 -2.00 0.04 0.00 0.00 177.00 174.99 3jx8 s GLU 33 N -1.42 1.21 -0.16 4.56 2.12 -0.52 -4.80 118.70 119.69 3jx8 s GLU 33 Ca 0.46 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 55.23 3jx8 s GLU 33 Cb -0.33 -1.15 -0.03 0.00 0.26 0.00 0.00 34.13 32.87 3jx8 s GLU 33 CO 0.43 0.28 0.01 0.99 -0.54 0.00 0.00 175.26 176.43 3jx8 s THR 34 N -0.23 4.36 -0.10 -1.70 2.01 -1.26 -1.88 115.64 116.84 3jx8 s THR 34 Ca 0.03 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.87 3jx8 s THR 34 Cb -0.07 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3jx8 s THR 34 CO -0.00 0.48 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.12 3jx8 s ARG 35 N 0.28 2.32 -0.08 4.92 0.52 -0.28 -5.00 118.95 121.64 3jx8 s ARG 35 Ca 0.00 -0.61 -0.25 0.00 -0.52 0.00 0.00 55.73 54.36 3jx8 s ARG 35 Cb -0.13 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 3jx8 s ARG 35 CO 0.02 0.00 0.77 -1.21 0.02 0.00 0.00 175.30 174.89 3jx8 s GLU 36 N 0.79 4.42 -0.13 3.54 2.02 -1.26 -1.12 118.70 126.96 3jx8 s GLU 36 Ca -0.11 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.86 3jx8 s GLU 36 Cb -0.16 -3.48 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 3jx8 s GLU 36 CO 0.01 -0.04 -0.14 0.42 0.02 0.00 0.00 175.26 175.54 3jx8 s ILE 37 N 1.12 2.99 -0.03 -1.63 1.01 0.57 -4.99 121.20 120.24 3jx8 s ILE 37 Ca 0.40 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 3jx8 s ILE 37 Cb -0.18 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3jx8 s ILE 37 CO 0.18 0.53 1.25 -0.75 0.00 0.00 0.00 174.94 176.15 3jx8 s LYS 38 N 0.35 4.34 0.03 2.79 2.36 -1.26 -3.90 119.74 124.45 3jx8 s LYS 38 Ca -0.11 1.75 -0.01 0.00 -2.55 0.00 0.00 55.97 55.05 3jx8 s LYS 38 Cb -0.16 -3.54 -0.03 0.00 -1.05 0.00 0.00 37.83 33.05 3jx8 s LYS 38 CO 0.06 -0.46 -0.02 0.96 1.55 0.00 0.00 175.35 177.44 3jx8 s ILE 39 N 2.14 0.15 0.80 5.43 -4.36 -1.26 -4.87 121.20 119.23 3jx8 s ILE 39 Ca 0.58 -1.28 -0.10 0.00 -0.26 0.00 0.00 60.65 59.59 3jx8 s ILE 39 Cb -0.27 -0.81 0.10 0.00 1.25 0.00 0.00 42.46 42.73 3jx8 s ILE 39 CO 0.24 -0.70 1.14 -0.44 0.24 0.00 0.00 174.94 175.41 3jx8 s SER 40 N -2.09 4.31 0.66 4.36 0.01 -1.26 -4.77 113.70 114.92 3jx8 s SER 40 Ca -0.06 0.49 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 3jx8 s SER 40 Cb -0.02 -0.93 -0.00 0.00 0.21 0.00 0.00 66.02 65.27 3jx8 s SER 40 CO -0.05 -1.97 1.17 -0.62 0.41 0.00 0.00 173.24 172.18 3jx8 s ASP 41 N -4.63 4.88 0.03 2.44 2.15 -1.26 -4.92 116.67 115.36 3jx8 s ASP 41 Ca 0.64 2.22 -0.03 0.00 0.43 0.00 0.00 52.55 55.81 3jx8 s ASP 41 Cb -0.09 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 3jx8 s ASP 41 CO 0.48 -1.79 0.04 -0.72 -0.17 0.00 0.00 175.17 173.00 3jx8 s TYR 42 N -2.00 0.26 0.00 -5.34 -0.85 -1.26 -4.54 117.35 103.62 3jx8 s TYR 42 Ca 0.72 -0.58 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 3jx8 s TYR 42 Cb -0.26 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 41.89 3jx8 s TYR 42 CO 0.39 -0.30 0.86 -0.40 -1.52 0.00 0.00 175.55 174.58 3jx8 n ASP 43 N 0.98 1.70 -3.76 -0.18 5.68 -0.34 -4.37 116.55 116.26 3jx8 n ASP 43 Ca -0.20 -1.72 -0.13 0.00 -0.50 0.00 0.00 54.79 52.24 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 -0.72 0.49 -0.06 0.11 2.12 -1.19 -0.61 118.70 118.85 3jx8 s GLU 44 Ca 0.00 0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.58 3jx8 s GLU 44 Cb 0.00 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.62 3jx8 s GLU 44 CO 0.00 -0.10 -0.17 0.42 -0.54 0.00 0.00 175.26 174.87 3jx8 s ILE 45 N -0.39 1.45 -0.28 -3.70 1.01 -0.47 -0.23 121.20 118.60 3jx8 s ILE 45 Ca -0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3jx8 s ILE 45 Cb -0.03 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.21 3jx8 s ILE 45 CO 0.02 0.42 -0.02 -0.89 0.00 0.00 0.00 174.94 174.47 3jx8 s THR 46 N 0.24 3.06 -0.14 2.92 2.01 0.52 -0.60 115.64 123.65 3jx8 s THR 46 Ca -0.09 -1.16 -0.00 0.00 0.31 0.00 0.00 61.69 60.75 3jx8 s THR 46 Cb -0.14 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.75 3jx8 s THR 46 CO 0.04 0.03 -0.10 0.12 -0.69 0.00 0.00 174.62 174.02 3jx8 s PHE 47 N 1.31 1.84 -0.14 4.92 5.36 0.96 -1.40 117.98 130.83 3jx8 s PHE 47 Ca -0.02 -1.03 0.02 0.00 -0.96 0.00 0.00 56.93 54.93 3jx8 s PHE 47 Cb -0.18 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 3jx8 s PHE 47 CO -0.02 -0.60 -0.18 0.08 -1.46 0.00 0.00 175.22 173.03 3jx8 s VAL 48 N 1.59 1.80 -5.00 3.12 1.01 -0.52 -0.61 120.40 121.80 3jx8 s VAL 48 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3jx8 s VAL 48 Cb -0.13 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3jx8 s VAL 48 CO -0.09 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3jx8 n GLY 49 N 4.34 0.30 0.99 4.51 0.00 -0.73 -4.23 105.19 110.37 3jx8 n GLY 49 Ca -0.19 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.13 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 3.00 2.97 -4.74 1.61 3.41 -1.26 -2.17 113.62 116.43 3jx8 n SER 50 Ca 0.00 -1.92 -0.35 0.00 -0.26 0.00 0.00 58.87 56.34 3jx8 n SER 50 Cb 0.00 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.61 2.33 -0.39 7.33 0.00 -1.26 -4.16 121.76 124.00 3jx8 s ALA 51 Ca 0.36 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3jx8 s ALA 51 Cb 0.21 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3jx8 s ALA 51 CO 0.30 -1.52 1.09 -0.51 0.00 0.00 0.00 175.76 175.12 3jx8 s ASP 52 N -1.93 6.78 -0.22 0.00 1.01 -0.77 -1.27 116.67 120.26 3jx8 s ASP 52 Ca 0.75 0.75 -0.04 0.00 0.71 0.00 0.00 52.55 54.72 3jx8 s ASP 52 Cb -0.29 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.10 3jx8 s ASP 52 CO 0.40 -1.05 -0.04 0.12 0.21 0.00 0.00 175.17 174.82 3jx8 s PHE 53 N 4.00 2.97 -0.24 4.23 2.19 0.35 -1.18 117.98 130.30 3jx8 s PHE 53 Ca 0.46 -0.97 -0.08 0.00 0.33 0.00 0.00 56.93 56.67 3jx8 s PHE 53 Cb -0.10 -2.11 -0.04 0.00 -1.31 0.00 0.00 43.02 39.47 3jx8 s PHE 53 CO 0.23 -0.56 0.10 -1.21 1.83 0.00 0.00 175.22 175.61 3jx8 s GLU 54 N 1.47 3.79 0.06 10.12 2.02 0.16 -0.79 118.70 135.54 3jx8 s GLU 54 Ca 0.05 -0.41 0.08 0.00 0.02 0.00 0.00 54.97 54.71 3jx8 s GLU 54 Cb -0.14 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 3jx8 s GLU 54 CO -0.03 -0.09 -0.21 -0.47 0.02 0.00 0.00 175.26 174.48 3jx8 s TYR 55 N 1.38 1.86 0.02 1.61 5.04 -0.42 -1.52 117.35 125.32 3jx8 s TYR 55 Ca 0.06 -0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 3jx8 s TYR 55 Cb -0.15 -1.09 -0.02 0.00 0.35 0.00 0.00 41.96 41.06 3jx8 s TYR 55 CO 0.05 0.12 -0.00 -1.21 -1.34 0.00 0.00 175.55 173.17 3jx8 s GLU 56 N -1.34 0.39 0.26 4.97 0.41 -1.08 -4.08 118.70 118.22 3jx8 s GLU 56 Ca 0.08 -0.67 -0.29 0.00 -0.41 0.00 0.00 54.97 53.68 3jx8 s GLU 56 Cb -0.09 0.14 -0.09 0.00 -1.78 0.00 0.00 34.13 32.31 3jx8 s GLU 56 CO 0.02 -0.07 0.95 -0.65 -0.49 0.00 0.00 175.26 175.02 3jx8 s GLN 57 N -1.82 4.80 -0.10 1.61 -0.21 -1.26 -3.06 119.66 119.62 3jx8 s GLN 57 Ca -0.12 1.47 -0.30 0.00 0.02 0.00 0.00 55.36 56.43 3jx8 s GLN 57 Cb -0.07 -3.19 0.07 0.00 1.00 0.00 0.00 33.01 30.82 3jx8 s GLN 57 CO -0.02 0.47 0.71 0.45 -2.12 0.00 0.00 175.29 174.78 3jx8 s SER 58 N -1.25 -0.66 0.00 5.90 0.15 0.16 -4.92 113.70 113.08 3jx8 s SER 58 Ca 0.43 0.86 0.28 0.00 0.70 0.00 0.00 55.95 58.22 3jx8 s SER 58 Cb -0.25 0.72 1.14 0.00 -1.71 0.00 0.00 66.02 65.93 3jx8 s SER 58 CO 0.31 -0.51 1.84 0.47 1.20 0.00 0.00 173.24 176.54 3jx8 n ASP 59 N 1.29 0.19 -4.00 5.45 8.00 -1.26 -3.40 116.55 122.82 3jx8 n ASP 59 Ca -0.17 0.04 -0.30 0.00 0.71 0.00 0.00 54.79 55.07 3jx8 n ASP 59 Cb 0.57 -0.24 0.24 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.83 -1.28 0.51 -1.24 1.02 -1.26 -4.96 119.74 109.71 3jx8 s LYS 60 Ca 0.19 0.21 -0.23 0.00 0.02 0.00 0.00 55.97 56.15 3jx8 s LYS 60 Cb 0.19 -1.56 -0.06 0.00 -0.52 0.00 0.00 37.83 35.87 3jx8 s LYS 60 CO 0.54 -3.81 1.39 0.00 -0.92 0.00 0.00 175.35 172.55 3jx8 n ALA 61 N -4.88 1.76 -1.76 5.17 0.00 -1.26 -4.82 120.51 114.73 3jx8 n ALA 61 Ca 0.10 0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 3jx8 n ALA 61 Cb 0.58 -2.37 0.02 0.00 0.00 0.00 0.00 19.45 17.69 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 -2.72 3.46 -0.04 0.00 0.04 -1.26 -4.89 135.00 129.59 3jx8 s PRO 62 Ca 0.68 2.24 -0.06 0.00 0.04 0.00 0.00 61.00 63.90 3jx8 s PRO 62 Cb -0.43 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.67 3jx8 s PRO 62 CO 0.52 -0.94 0.15 -0.47 0.04 0.00 0.00 177.00 176.31 3jx8 s TYR 63 N -1.29 -0.09 -0.08 0.56 5.04 -1.03 -4.76 117.35 115.70 3jx8 s TYR 63 Ca 0.66 0.22 -0.03 0.00 -2.44 0.00 0.00 57.07 55.47 3jx8 s TYR 63 Cb -0.40 0.02 0.04 0.00 0.35 0.00 0.00 41.96 41.97 3jx8 s TYR 63 CO 0.49 -0.16 0.17 -1.17 -1.34 0.00 0.00 175.55 173.54 3jx8 s LEU 64 N -0.47 0.33 -0.05 6.97 2.96 -1.25 -1.71 118.68 125.45 3jx8 s LEU 64 Ca -0.06 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3jx8 s LEU 64 Cb -0.04 0.39 0.01 0.00 0.50 0.00 0.00 46.19 47.05 3jx8 s LEU 64 CO 0.01 -0.19 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.19 3jx8 s SER 65 N 1.68 1.55 -0.07 3.68 0.15 0.34 -0.31 113.70 120.71 3jx8 s SER 65 Ca -0.04 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.39 3jx8 s SER 65 Cb -0.12 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.54 3jx8 s SER 65 CO -0.06 0.03 -0.17 -0.69 1.20 0.00 0.00 173.24 173.55 3jx8 s VAL 66 N 0.60 1.47 -0.15 4.45 1.01 -0.28 -0.98 120.40 126.52 3jx8 s VAL 66 Ca -0.12 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3jx8 s VAL 66 Cb -0.14 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3jx8 s VAL 66 CO 0.03 0.43 -0.21 -0.89 0.00 0.00 0.00 175.10 174.45 3jx8 s THR 67 N 0.49 2.12 0.17 3.92 2.01 0.35 -1.12 115.64 123.57 3jx8 s THR 67 Ca -0.15 -0.95 -0.23 0.00 0.31 0.00 0.00 61.69 60.67 3jx8 s THR 67 Cb -0.16 -1.86 0.07 0.00 0.01 0.00 0.00 72.50 70.56 3jx8 s THR 67 CO 0.05 0.54 0.63 -0.51 -0.69 0.00 0.00 174.62 174.65 3jx8 s ILE 68 N 0.94 0.00 0.15 1.82 2.07 -0.79 -1.15 121.20 124.25 3jx8 s ILE 68 Ca -0.04 -0.13 -0.34 0.00 -1.41 0.00 0.00 60.65 58.74 3jx8 s ILE 68 Cb -0.15 -1.13 -0.16 0.00 0.13 0.00 0.00 42.46 41.16 3jx8 s ILE 68 CO -0.05 0.00 1.28 0.47 -1.91 0.00 0.00 174.94 174.74 3jx8 n ASP 69 N -0.38 1.76 -0.28 4.50 9.92 -1.24 -1.44 116.55 129.39 3jx8 n ASP 69 Ca -0.15 1.13 0.20 0.00 -0.53 0.00 0.00 54.79 55.44 3jx8 n ASP 69 Cb 0.64 -1.25 0.50 0.00 -0.64 0.00 0.00 41.12 40.37 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 4.04 0.41 0.00 -1.24 4.11 -1.15 -0.40 114.58 120.36 3jx8 h GLU 70 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3jx8 h GLU 70 Cb 1.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3jx8 h GLU 70 CO 0.75 0.27 0.00 0.27 0.07 0.00 0.00 179.01 180.37 3jx8 n ASN 71 N -4.55 0.51 0.06 3.06 6.94 -1.26 -3.52 115.26 116.50 3jx8 n ASN 71 Ca 0.22 0.61 0.11 0.00 -0.02 0.00 0.00 54.58 55.50 3jx8 n ASN 71 Cb 0.76 -0.72 -0.02 0.00 -2.36 0.00 0.00 39.78 37.45 3jx8 n ASN 71 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3jx8 n LEU 72 N -2.04 0.62 -0.34 -4.53 4.77 -0.16 -3.98 117.00 111.35 3jx8 n LEU 72 Ca 0.03 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.31 3jx8 n LEU 72 Cb 0.26 -0.06 0.30 0.00 -2.33 0.00 0.00 43.42 41.58 3jx8 n LEU 72 CO 0.21 -0.09 1.17 -0.26 -1.33 0.00 0.00 177.39 177.08 3jx8 h PHE 73 N 0.00 0.99 -0.05 -1.77 0.04 -1.66 -0.28 116.94 114.21 3jx8 h PHE 73 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.82 3jx8 h PHE 73 Cb 0.92 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 3jx8 h PHE 73 CO 0.00 0.21 0.12 -0.44 -0.60 0.00 0.00 178.31 177.60 3jx8 h ASP 74 N 0.72 0.00 -0.54 2.17 3.32 -1.82 -1.55 116.42 118.73 3jx8 h ASP 74 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 3jx8 h ASP 74 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3jx8 h ASP 74 CO -0.39 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.91 3jx8 n TYR 75 N -3.33 0.72 -5.29 4.55 4.02 -0.12 -4.99 117.16 112.72 3jx8 n TYR 75 Ca -0.02 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.90 57.10 3jx8 n TYR 75 Cb 0.20 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.35 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 -1.05 2.09 -0.17 7.72 2.96 -0.58 -0.72 118.68 128.93 3jx8 s LEU 76 Ca 0.38 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 3jx8 s LEU 76 Cb 0.20 -1.35 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 3jx8 s LEU 76 CO 0.26 0.32 0.22 -0.69 -1.32 0.00 0.00 176.35 175.15 3jx8 s VAL 77 N -0.60 5.35 -0.33 1.68 1.01 0.16 -4.83 120.40 122.83 3jx8 s VAL 77 Ca 0.10 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3jx8 s VAL 77 Cb -0.10 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.87 3jx8 s VAL 77 CO -0.01 0.43 0.32 0.42 0.00 0.00 0.00 175.10 176.27 3jx8 s THR 78 N 0.26 -0.33 0.22 3.92 -4.23 -1.24 -1.73 115.64 112.52 3jx8 s THR 78 Ca 0.13 -0.80 -0.22 0.00 -1.18 0.00 0.00 61.69 59.62 3jx8 s THR 78 Cb -0.12 -0.86 0.04 0.00 1.34 0.00 0.00 72.50 72.91 3jx8 s THR 78 CO 0.02 -0.56 0.70 -1.83 -0.54 0.00 0.00 174.62 172.41 3jx8 s GLU 79 N 1.85 1.52 -0.13 3.99 -1.05 -0.48 -5.01 118.70 119.40 3jx8 s GLU 79 Ca 0.13 -0.75 -0.04 0.00 -0.15 0.00 0.00 54.97 54.17 3jx8 s GLU 79 Cb -0.15 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 3jx8 s GLU 79 CO -0.17 -0.69 0.01 0.08 0.95 0.00 0.00 175.26 175.44 3jx8 s VAL 80 N -3.78 4.33 -0.21 1.83 1.01 -1.26 -0.19 120.40 122.13 3jx8 s VAL 80 Ca 0.07 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3jx8 s VAL 80 Cb -0.04 -2.88 0.07 0.00 0.00 0.00 0.00 36.38 33.54 3jx8 s VAL 80 CO -0.01 0.54 0.52 -0.70 0.00 0.00 0.00 175.10 175.45 3jx8 s GLU 81 N -0.24 0.51 -1.52 2.72 2.12 -0.68 -4.88 118.70 116.73 3jx8 s GLU 81 Ca 0.06 0.97 -0.05 0.00 0.36 0.00 0.00 54.97 56.30 3jx8 s GLU 81 Cb -0.12 0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.34 3jx8 s GLU 81 CO 0.02 -0.16 0.56 0.41 -0.54 0.00 0.00 175.26 175.56 3jx8 n GLY 82 N 4.32 -0.52 2.40 -1.50 0.00 -1.26 -1.58 105.19 107.04 3jx8 n GLY 82 Ca -0.22 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.45 1.18 3.09 -0.02 0.00 -1.26 -4.98 105.19 101.75 3jx8 n GLY 83 Ca -0.10 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.58 1.72 -0.03 2.61 2.01 -0.62 -1.20 115.64 117.55 3jx8 s THR 84 Ca 0.00 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 3jx8 s THR 84 Cb 0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3jx8 s THR 84 CO 0.00 0.48 1.11 -0.22 -0.69 0.00 0.00 174.62 175.30 3jx8 s LEU 85 N 1.06 4.31 -0.17 4.42 2.96 0.68 -1.68 118.68 130.27 3jx8 s LEU 85 Ca -0.03 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 3jx8 s LEU 85 Cb -0.14 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.01 3jx8 s LEU 85 CO -0.05 -0.46 -0.11 -0.54 -1.32 0.00 0.00 176.35 173.87 3jx8 s LYS 86 N 1.69 2.07 -0.16 1.98 1.02 0.73 -0.35 119.74 126.72 3jx8 s LYS 86 Ca 0.54 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 3jx8 s LYS 86 Cb -0.23 -2.18 0.04 0.00 -0.52 0.00 0.00 37.83 34.94 3jx8 s LYS 86 CO 0.24 -0.33 -0.03 0.42 -0.92 0.00 0.00 175.35 174.73 3jx8 s ILE 87 N 1.48 0.91 0.01 2.17 1.01 -0.50 -1.38 121.20 124.91 3jx8 s ILE 87 Ca 0.02 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 3jx8 s ILE 87 Cb -0.14 -1.14 0.10 0.00 0.01 0.00 0.00 42.46 41.29 3jx8 s ILE 87 CO -0.09 0.09 0.87 -0.72 0.00 0.00 0.00 174.94 175.08 3jx8 s TYR 88 N 1.72 -0.36 0.48 3.97 -0.85 -0.70 -1.43 117.35 120.18 3jx8 s TYR 88 Ca 0.01 0.21 -0.22 0.00 -0.52 0.00 0.00 57.07 56.55 3jx8 s TYR 88 Cb -0.15 0.54 -0.07 0.00 0.38 0.00 0.00 41.96 42.66 3jx8 s TYR 88 CO -0.07 -0.58 1.14 -2.14 -1.52 0.00 0.00 175.55 172.38 3jx8 s PRO 89 N -3.18 3.66 0.73 -3.49 0.02 -1.26 -0.66 135.00 130.81 3jx8 s PRO 89 Ca 0.05 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 62.63 3jx8 s PRO 89 Cb -0.01 -2.28 0.04 0.00 0.02 0.00 0.00 34.50 32.26 3jx8 s PRO 89 CO -0.09 -0.62 1.13 0.15 -0.33 0.00 0.00 177.00 177.24 3jx8 s LYS 90 N -2.88 2.36 0.55 5.54 1.02 0.10 -4.73 119.74 121.69 3jx8 s LYS 90 Ca 0.66 1.42 -0.21 0.00 0.02 0.00 0.00 55.97 57.85 3jx8 s LYS 90 Cb -0.26 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 3jx8 s LYS 90 CO 0.31 -1.60 1.32 -1.12 -0.92 0.00 0.00 175.35 173.35 3jx8 s SER 91 N -2.70 5.33 0.15 2.83 0.01 -1.26 -1.75 113.70 116.31 3jx8 s SER 91 Ca 0.67 2.67 -0.31 0.00 1.31 0.00 0.00 55.95 60.28 3jx8 s SER 91 Cb -0.21 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.29 3jx8 s SER 91 CO 0.48 -1.52 1.59 -0.63 0.41 0.00 0.00 173.24 173.56 3jx8 s ILE 92 N -1.36 2.67 -0.14 1.44 1.01 -0.49 -4.76 121.20 119.57 3jx8 s ILE 92 Ca 0.72 0.44 -0.37 0.00 0.00 0.00 0.00 60.65 61.44 3jx8 s ILE 92 Cb -0.38 -3.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.67 3jx8 s ILE 92 CO 0.44 0.03 1.77 1.17 0.00 0.00 0.00 174.94 178.35 3jx8 n LYS 93 N 4.25 1.67 -1.68 2.79 4.81 -1.26 -0.08 118.16 128.65 3jx8 n LYS 93 Ca 0.14 0.61 -0.14 0.00 -0.87 0.00 0.00 58.31 58.05 3jx8 n LYS 93 Cb 0.39 -2.37 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 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 5.60 -1.05 -0.16 1.64 4.76 -1.26 -4.88 118.16 122.81 3jx8 n LYS 94 Ca 0.24 0.91 0.12 0.00 -2.87 0.00 0.00 58.31 56.71 3jx8 n LYS 94 Cb 0.22 -5.08 0.21 0.00 -1.84 0.00 0.00 35.03 28.53 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 -1.15 1.59 2.28 0.72 0.00 0.89 -4.97 105.19 104.55 3jx8 n GLY 95 Ca -0.15 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 1.45 -0.60 -1.63 1.61 3.72 -1.26 -1.81 117.46 118.93 3jx8 n PHE 96 Ca 0.19 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.39 3jx8 n PHE 96 Cb 0.60 -2.95 -0.08 0.00 -0.94 0.00 0.00 39.48 36.11 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 -0.64 -5.16 0.13 4.37 3.02 -1.26 -4.87 115.26 110.85 3jx8 n ASN 97 Ca -0.16 0.44 0.13 0.00 -0.03 0.00 0.00 54.58 54.96 3jx8 n ASN 97 Cb 0.61 -4.56 0.36 0.00 -0.61 0.00 0.00 39.78 35.58 3jx8 n ASN 97 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3jx8 h ASN 98 N 0.00 0.00 -5.12 6.41 2.35 -1.73 -3.47 115.58 114.02 3jx8 h ASN 98 Ca -0.40 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.46 3jx8 h ASN 98 Cb 1.27 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.57 3jx8 h ASN 98 CO 0.58 0.00 0.36 0.54 -1.65 0.00 0.00 177.43 177.26 3jx8 s ASN 99 N -4.86 -0.26 0.28 5.81 2.20 -1.26 -5.10 114.94 111.75 3jx8 s ASN 99 Ca 0.10 -0.42 0.05 0.00 -0.94 0.00 0.00 52.86 51.64 3jx8 s ASN 99 Cb 0.11 0.59 -0.06 0.00 -2.00 0.00 0.00 41.25 39.89 3jx8 s ASN 99 CO 0.61 -1.07 -0.00 -0.94 -2.94 0.00 0.00 177.10 172.76 3jx8 s SER 100 N -2.88 2.38 0.43 3.54 1.04 -1.26 -1.40 113.70 115.54 3jx8 s SER 100 Ca 0.10 -1.26 -0.25 0.00 0.48 0.00 0.00 55.95 55.02 3jx8 s SER 100 Cb -0.03 -0.09 -0.08 0.00 0.10 0.00 0.00 66.02 65.92 3jx8 s SER 100 CO 0.02 -0.48 1.30 -0.31 0.98 0.00 0.00 173.24 174.75 3jx8 s TYR 101 N -3.22 2.75 -0.52 5.02 2.02 -0.72 -4.73 117.35 117.95 3jx8 s TYR 101 Ca 0.32 1.41 -0.15 0.00 -0.37 0.00 0.00 57.07 58.28 3jx8 s TYR 101 Cb 0.06 -3.66 0.12 0.00 -0.40 0.00 0.00 41.96 38.08 3jx8 s TYR 101 CO 0.12 -2.15 0.47 0.34 -1.57 0.00 0.00 175.55 172.76 3jx8 s ASP 102 N -0.82 6.13 -0.08 2.29 2.15 0.19 -4.85 116.67 121.67 3jx8 s ASP 102 Ca 0.59 -1.75 -0.16 0.00 0.43 0.00 0.00 52.55 51.67 3jx8 s ASP 102 Cb -0.37 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 3jx8 s ASP 102 CO 0.48 -0.81 0.41 -0.76 -0.17 0.00 0.00 175.17 174.31 3jx8 s LEU 103 N 1.58 4.35 -0.71 -1.34 1.43 -1.26 -0.49 118.68 122.24 3jx8 s LEU 103 Ca 0.03 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 3jx8 s LEU 103 Cb -0.29 -2.58 0.19 0.00 0.03 0.00 0.00 46.19 43.55 3jx8 s LEU 103 CO 0.03 0.15 0.59 0.54 0.23 0.00 0.00 176.35 177.89 3jx8 n ARG 104 N 2.92 2.09 -1.76 1.70 5.12 0.14 -4.94 116.66 121.92 3jx8 n ARG 104 Ca -0.11 -4.54 -0.33 0.00 -1.93 0.00 0.00 57.85 50.94 3jx8 n ARG 104 Cb 0.52 -2.29 0.05 0.00 -1.16 0.00 0.00 32.46 29.57 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 -1.75 2.81 0.10 5.56 0.04 -1.26 -0.77 135.00 139.73 3jx8 s PRO 105 Ca 0.29 1.38 0.23 0.00 0.04 0.00 0.00 61.00 62.94 3jx8 s PRO 105 Cb 0.01 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3jx8 s PRO 105 CO -0.13 -1.24 0.98 0.25 0.04 0.00 0.00 177.00 176.90 3jx8 n THR 106 N -2.41 0.32 -3.74 1.26 -2.24 -1.26 -4.84 114.28 101.37 3jx8 n THR 106 Ca 0.10 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 3jx8 n THR 106 Cb 0.52 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.30 -0.00 -0.29 2.28 1.01 -1.26 -5.06 120.40 113.77 3jx8 s VAL 107 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3jx8 s VAL 107 Cb 0.13 -0.52 0.19 0.00 0.00 0.00 0.00 36.38 36.18 3jx8 s VAL 107 CO 0.81 0.00 0.58 -0.47 0.00 0.00 0.00 175.10 176.02 3jx8 s TYR 108 N 0.32 -1.62 0.00 5.22 5.04 -1.25 -3.66 117.35 121.41 3jx8 s TYR 108 Ca -0.01 1.41 0.02 0.00 -2.44 0.00 0.00 57.07 56.05 3jx8 s TYR 108 Cb -0.03 0.43 -0.01 0.00 0.35 0.00 0.00 41.96 42.70 3jx8 s TYR 108 CO -0.01 -0.94 -0.07 0.15 -1.34 0.00 0.00 175.55 173.34 3jx8 s LYS 109 N 2.82 0.52 -0.01 4.97 1.02 -0.30 -1.86 119.74 126.90 3jx8 s LYS 109 Ca 0.17 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.87 3jx8 s LYS 109 Cb -0.13 -0.48 -0.00 0.00 -0.52 0.00 0.00 37.83 36.70 3jx8 s LYS 109 CO -0.23 0.13 -0.09 0.42 -0.92 0.00 0.00 175.35 174.66 3jx8 s ILE 110 N -0.33 0.70 -0.05 2.17 1.01 -0.32 -0.50 121.20 123.88 3jx8 s ILE 110 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3jx8 s ILE 110 Cb -0.04 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.86 3jx8 s ILE 110 CO -0.00 0.20 -0.05 -0.75 0.00 0.00 0.00 174.94 174.34 3jx8 s LYS 111 N -0.12 0.91 0.02 2.79 2.47 -0.15 -0.66 119.74 125.00 3jx8 s LYS 111 Ca 0.02 -0.14 -0.22 0.00 -1.56 0.00 0.00 55.97 54.07 3jx8 s LYS 111 Cb -0.04 -0.89 0.05 0.00 -1.46 0.00 0.00 37.83 35.49 3jx8 s LYS 111 CO -0.00 -0.07 0.51 0.45 0.16 0.00 0.00 175.35 176.40 3jx8 s SER 112 N 0.88 -0.43 0.04 1.43 0.15 -0.57 -0.50 113.70 114.69 3jx8 s SER 112 Ca -0.12 0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 3jx8 s SER 112 Cb -0.14 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.60 3jx8 s SER 112 CO 0.01 -0.66 -0.02 0.54 1.20 0.00 0.00 173.24 174.30 3jx8 s ASN 113 N -1.78 0.39 0.28 5.45 4.22 -0.69 -2.62 114.94 120.18 3jx8 s ASN 113 Ca -0.07 -0.81 -0.06 0.00 -2.14 0.00 0.00 52.86 49.77 3jx8 s ASN 113 Cb -0.01 0.17 -0.01 0.00 1.28 0.00 0.00 41.25 42.68 3jx8 s ASN 113 CO 0.01 -0.50 0.41 -0.94 -2.04 0.00 0.00 177.10 174.04 3jx8 s SER 114 N -2.41 0.36 0.22 3.54 1.04 -1.17 -2.46 113.70 112.82 3jx8 s SER 114 Ca -0.01 -1.24 -0.05 0.00 0.48 0.00 0.00 55.95 55.13 3jx8 s SER 114 Cb 0.02 0.58 0.21 0.00 0.10 0.00 0.00 66.02 66.93 3jx8 s SER 114 CO -0.07 -1.15 1.72 0.11 0.98 0.00 0.00 173.24 174.83 3jx8 h LYS 115 N 2.27 0.95 -2.48 4.02 1.79 -1.76 0.47 116.57 121.83 3jx8 h LYS 115 Ca -0.29 -0.26 -0.09 0.00 -2.18 0.00 0.00 60.65 57.83 3jx8 h LYS 115 Cb 1.25 -0.11 -0.22 0.00 -1.58 0.00 0.00 32.23 31.56 3jx8 h LYS 115 CO 0.40 0.92 -0.09 -2.00 -1.08 0.00 0.00 179.45 177.60 3jx8 s GLU 116 N -5.07 0.66 -0.37 3.15 2.12 -1.26 -4.03 118.70 113.89 3jx8 s GLU 116 Ca -0.11 0.60 -0.02 0.00 0.36 0.00 0.00 54.97 55.81 3jx8 s GLU 116 Cb 0.14 0.32 0.09 0.00 0.26 0.00 0.00 34.13 34.94 3jx8 s GLU 116 CO 0.83 -0.11 0.14 -1.17 -0.54 0.00 0.00 175.26 174.41 3jx8 s LEU 117 N 0.00 4.86 0.03 2.70 2.96 -1.26 -4.05 118.68 123.92 3jx8 s LEU 117 Ca -0.02 -1.84 0.00 0.00 -0.22 0.00 0.00 54.13 52.05 3jx8 s LEU 117 Cb -0.03 -1.78 -0.26 0.00 0.50 0.00 0.00 46.19 44.61 3jx8 s LEU 117 CO 0.02 -0.45 0.95 0.11 -1.32 0.00 0.00 176.35 175.65 3jx8 h LYS 118 N 7.99 0.18 -2.67 1.98 1.57 -1.08 -3.43 116.57 121.11 3jx8 h LYS 118 Ca -0.14 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 3jx8 h LYS 118 Cb 1.05 0.12 -0.28 0.00 0.08 0.00 0.00 32.23 33.19 3jx8 h LYS 118 CO 0.64 1.04 -0.38 -2.00 -0.57 0.00 0.00 179.45 178.18 3jx8 s GLU 119 N -2.64 0.31 -0.15 3.15 2.12 -1.14 -0.98 118.70 119.38 3jx8 s GLU 119 Ca -0.06 0.84 -0.04 0.00 0.36 0.00 0.00 54.97 56.08 3jx8 s GLU 119 Cb 0.07 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 3jx8 s GLU 119 CO 0.85 -0.21 -0.02 -1.17 -0.54 0.00 0.00 175.26 174.17 3jx8 s LEU 120 N 1.99 3.38 -0.27 2.70 2.96 -0.02 -1.36 118.68 128.06 3jx8 s LEU 120 Ca -0.05 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3jx8 s LEU 120 Cb -0.11 -1.81 0.07 0.00 0.50 0.00 0.00 46.19 44.85 3jx8 s LEU 120 CO -0.12 0.21 -0.02 0.20 -1.32 0.00 0.00 176.35 175.31 3jx8 s ASN 121 N 0.13 4.17 -0.05 3.68 0.01 0.24 -0.16 114.94 122.95 3jx8 s ASN 121 Ca 0.00 -1.50 0.06 0.00 -0.71 0.00 0.00 52.86 50.71 3jx8 s ASN 121 Cb -0.13 -1.29 -0.01 0.00 0.41 0.00 0.00 41.25 40.23 3jx8 s ASN 121 CO 0.02 -0.29 -0.24 0.28 -1.51 0.00 0.00 177.10 175.37 3jx8 s THR 122 N 1.27 1.95 -0.03 1.60 -1.32 -0.02 -0.03 115.64 119.07 3jx8 s THR 122 Ca -0.00 -1.01 -0.00 0.00 -1.21 0.00 0.00 61.69 59.47 3jx8 s THR 122 Cb -0.19 -1.65 0.03 0.00 -1.51 0.00 0.00 72.50 69.18 3jx8 s THR 122 CO -0.09 0.54 0.01 -0.69 -2.21 0.00 0.00 174.62 172.18 3jx8 s VAL 123 N -0.14 0.15 -2.67 5.08 1.01 0.22 -1.23 120.40 122.83 3jx8 s VAL 123 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3jx8 s VAL 123 Cb -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.97 3jx8 s VAL 123 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3jx8 n GLY 124 N 4.34 0.72 1.22 4.51 0.00 -0.56 -1.77 105.19 113.65 3jx8 n GLY 124 Ca -0.23 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 43.82 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 0.69 3.73 -2.78 1.61 3.41 -1.25 -1.43 113.62 117.60 3jx8 n SER 125 Ca 0.00 -1.99 -0.12 0.00 -0.26 0.00 0.00 58.87 56.50 3jx8 n SER 125 Cb 0.00 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 63.62 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 1.46 -1.54 2.93 5.00 0.00 -0.92 -4.35 105.19 107.77 3jx8 n GLY 126 Ca 0.22 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.87 1.12 -0.20 1.61 0.15 -0.40 -1.30 113.70 111.82 3jx8 s SER 127 Ca 0.29 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.79 3jx8 s SER 127 Cb -0.01 -0.53 0.03 0.00 -1.71 0.00 0.00 66.02 63.80 3jx8 s SER 127 CO 0.21 -0.02 -0.17 0.12 1.20 0.00 0.00 173.24 174.58 3jx8 s PHE 128 N 0.79 2.90 -0.09 3.44 2.19 -0.34 -0.50 117.98 126.38 3jx8 s PHE 128 Ca -0.12 -1.77 0.03 0.00 0.33 0.00 0.00 56.93 55.41 3jx8 s PHE 128 Cb -0.14 -1.93 0.01 0.00 -1.31 0.00 0.00 43.02 39.64 3jx8 s PHE 128 CO 0.01 -0.81 -0.19 0.42 1.83 0.00 0.00 175.22 176.48 3jx8 s ILE 129 N 1.26 1.70 -0.17 3.12 1.01 0.03 -0.33 121.20 127.82 3jx8 s ILE 129 Ca 0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3jx8 s ILE 129 Cb -0.15 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 3jx8 s ILE 129 CO -0.11 0.48 -0.10 -0.63 0.00 0.00 0.00 174.94 174.58 3jx8 s ILE 130 N 0.46 3.08 -0.01 2.92 1.01 -0.30 -1.30 121.20 127.05 3jx8 s ILE 130 Ca -0.17 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 59.91 3jx8 s ILE 130 Cb -0.17 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 3jx8 s ILE 130 CO 0.07 0.48 0.09 -1.20 0.00 0.00 0.00 174.94 174.39 3jx8 n SER 131 N 4.18 3.85 -4.93 3.58 7.64 -1.26 -0.42 113.62 126.26 3jx8 n SER 131 Ca -0.18 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.44 3jx8 n SER 131 Cb 0.52 1.11 0.03 0.00 -1.01 0.00 0.00 64.21 64.85 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 -2.30 2.95 0.25 1.43 1.02 -1.26 -3.09 119.74 118.73 3jx8 s LYS 132 Ca -0.02 -0.15 -0.31 0.00 0.02 0.00 0.00 55.97 55.51 3jx8 s LYS 132 Cb 0.03 -2.35 -0.12 0.00 -0.52 0.00 0.00 37.83 34.87 3jx8 s LYS 132 CO 0.21 -0.58 1.65 -2.30 -0.92 0.00 0.00 175.35 173.40 3jx8 n PRO 133 N -2.44 2.70 -4.10 -1.68 -0.02 -1.26 -4.31 135.00 123.89 3jx8 n PRO 133 Ca 0.04 0.97 -0.22 0.00 -2.02 0.00 0.00 63.50 62.26 3jx8 n PRO 133 Cb 0.58 -2.77 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 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 0.54 0.67 -0.18 3.45 2.01 0.26 -4.96 115.64 117.43 3jx8 s THR 134 Ca 0.69 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 3jx8 s THR 134 Cb -0.51 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3jx8 s THR 134 CO 0.41 0.28 0.05 -0.75 -0.69 0.00 0.00 174.62 173.92 3jx8 s LYS 135 N 1.24 3.92 0.06 4.92 2.20 -1.26 -1.23 119.74 129.58 3jx8 s LYS 135 Ca -0.05 -0.35 0.07 0.00 -0.36 0.00 0.00 55.97 55.27 3jx8 s LYS 135 Cb -0.14 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 3jx8 s LYS 135 CO -0.02 0.30 -0.20 0.14 -0.36 0.00 0.00 175.35 175.21 3jx8 s VAL 136 N 0.29 1.58 0.00 4.02 -7.23 0.25 -4.94 120.40 114.37 3jx8 s VAL 136 Ca 0.03 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 3jx8 s VAL 136 Cb -0.12 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.42 3jx8 s VAL 136 CO 0.00 0.10 0.00 -3.20 -0.31 0.00 0.00 175.10 171.69 3jx8 n ASN 137 N 1.65 0.00 -4.52 4.85 5.15 -1.26 -2.44 115.26 118.68 3jx8 n ASN 137 Ca -0.18 0.04 -0.28 0.00 -0.60 0.00 0.00 54.58 53.56 3jx8 n ASN 137 Cb 0.54 -0.09 -0.09 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.18 2.00 0.00 1.20 0.52 -1.26 -0.58 118.95 120.65 3jx8 s ARG 138 Ca 0.00 -2.22 0.00 0.00 -0.52 0.00 0.00 55.73 52.99 3jx8 s ARG 138 Cb 0.00 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3jx8 s ARG 138 CO 0.00 -0.31 0.00 -1.91 0.02 0.00 0.00 175.30 173.10 3jx8 n GLU 140 N -1.03 0.00 -3.75 3.54 2.13 -0.15 -4.48 120.64 116.90 3jx8 n GLU 140 Ca -0.11 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.35 3jx8 n GLU 140 Cb 0.66 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.25 3jx8 n GLU 140 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3jx8 s ILE 141 N 0.00 4.40 0.34 6.31 1.01 0.81 -0.84 121.20 133.23 3jx8 s ILE 141 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 60.60 3jx8 s ILE 141 Cb 0.00 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 3jx8 s ILE 141 CO 0.00 0.33 -0.02 0.20 0.00 0.00 0.00 174.94 175.46 3jx8 s ASN 142 N 1.60 4.07 -0.30 3.58 0.01 0.78 -0.29 114.94 124.39 3jx8 s ASN 142 Ca 0.06 -1.03 -0.17 0.00 -0.71 0.00 0.00 52.86 51.01 3jx8 s ASN 142 Cb -0.15 -0.49 0.19 0.00 0.41 0.00 0.00 41.25 41.21 3jx8 s ASN 142 CO 0.04 -0.22 1.20 0.00 -1.51 0.00 0.00 177.10 176.61 3jx8 s ALA 144 N -2.54 -2.50 0.00 0.60 0.00 -0.37 -0.84 121.76 116.12 3jx8 s ALA 144 Ca 0.34 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.30 3jx8 s ALA 144 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3jx8 s ALA 144 CO 0.19 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3jx8 n GLY 145 N 3.05 0.54 0.50 0.00 0.00 -0.57 -1.50 105.19 107.21 3jx8 n GLY 145 Ca -0.17 -2.28 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 1.97 -2.91 1.61 3.41 -1.14 -1.22 113.62 115.33 3jx8 n SER 146 Ca 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 3jx8 n SER 146 Cb 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.05 0.16 3.33 5.00 0.00 -0.52 -4.17 105.19 110.04 3jx8 n GLY 147 Ca 0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.04 -0.05 1.61 4.22 -0.42 -1.58 114.94 117.68 3jx8 s ASN 148 Ca 0.00 -0.63 0.00 0.00 -2.14 0.00 0.00 52.86 50.09 3jx8 s ASN 148 Cb 0.00 0.44 0.02 0.00 1.28 0.00 0.00 41.25 42.99 3jx8 s ASN 148 CO 0.00 -0.87 -0.04 -0.69 -2.04 0.00 0.00 177.10 173.47 3jx8 s VAL 149 N -3.89 0.53 -0.14 3.54 1.01 -0.89 -1.20 120.40 119.37 3jx8 s VAL 149 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3jx8 s VAL 149 Cb 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.84 3jx8 s VAL 149 CO -0.06 0.24 -0.14 -1.61 0.00 0.00 0.00 175.10 173.53 3jx8 s GLU 150 N 1.20 2.25 -0.86 2.72 2.02 0.55 -1.53 118.70 125.05 3jx8 s GLU 150 Ca -0.07 -0.54 -0.16 0.00 0.02 0.00 0.00 54.97 54.23 3jx8 s GLU 150 Cb -0.14 -2.06 0.19 0.00 0.10 0.00 0.00 34.13 32.23 3jx8 s GLU 150 CO -0.02 -0.22 0.88 -0.51 0.02 0.00 0.00 175.26 175.41 3jx8 s LEU 151 N 1.46 6.20 0.00 1.80 1.43 -0.33 -1.15 118.68 128.09 3jx8 s LEU 151 Ca 0.04 -2.48 -0.00 0.00 -1.03 0.00 0.00 54.13 50.66 3jx8 s LEU 151 Cb -0.13 -2.27 -0.26 0.00 0.03 0.00 0.00 46.19 43.55 3jx8 s LEU 151 CO -0.10 -0.73 0.84 0.03 0.23 0.00 0.00 176.35 176.62 3jx8 h ARG 152 N 8.13 0.20 -7.46 1.70 3.08 -1.02 -0.91 114.38 118.10 3jx8 h ARG 152 Ca 0.12 -0.34 -0.49 0.00 0.07 0.00 0.00 59.98 59.35 3jx8 h ARG 152 Cb 1.04 0.13 0.08 0.00 0.08 0.00 0.00 29.97 31.29 3jx8 h ARG 152 CO 0.87 1.03 0.39 0.20 -1.07 0.00 0.00 179.97 181.39 3jx8 s GLY 153 N -4.99 1.62 0.13 0.04 0.00 -1.13 -4.68 107.32 98.32 3jx8 s GLY 153 Ca -0.08 -0.41 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 3jx8 s GLY 153 CO 0.84 -0.03 1.56 2.56 0.00 0.00 0.00 173.10 178.03 3jx8 s PRO 154 N -5.35 4.23 -0.16 2.90 0.04 -1.26 -4.52 135.00 130.88 3jx8 s PRO 154 Ca 0.58 2.30 -0.04 0.00 0.04 0.00 0.00 61.00 63.89 3jx8 s PRO 154 Cb -0.11 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3jx8 s PRO 154 CO 0.51 -0.62 -0.03 0.08 0.04 0.00 0.00 177.00 176.98 3jx8 s VAL 155 N 1.59 3.90 -0.01 -0.36 1.01 0.16 -0.58 120.40 126.12 3jx8 s VAL 155 Ca 0.70 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3jx8 s VAL 155 Cb -0.41 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3jx8 s VAL 155 CO 0.31 0.49 -0.00 -0.75 0.00 0.00 0.00 175.10 175.15 3jx8 s LYS 156 N 0.42 0.11 0.00 2.72 2.20 -0.37 -0.83 119.74 123.99 3jx8 s LYS 156 Ca -0.04 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 3jx8 s LYS 156 Cb -0.14 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 3jx8 s LYS 156 CO 0.03 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3jx8 n GLY 157 N 3.42 0.01 0.08 5.54 0.00 -0.86 -0.59 105.19 112.78 3jx8 n GLY 157 Ca -0.17 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 -3.26 1.61 3.20 -1.46 -2.03 116.97 115.03 3jx8 h TYR 158 Ca 0.00 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 3jx8 h TYR 158 Cb 0.00 0.00 -0.33 0.00 1.54 0.00 0.00 36.73 37.94 3jx8 h TYR 158 CO 0.00 0.59 -0.62 0.21 -1.64 0.00 0.00 178.16 176.70 3jx8 s LYS 159 N -2.18 0.07 -0.06 1.82 2.20 0.25 -0.11 119.74 121.73 3jx8 s LYS 159 Ca -0.18 0.38 0.06 0.00 -0.36 0.00 0.00 55.97 55.86 3jx8 s LYS 159 Cb 0.03 -0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.13 3jx8 s LYS 159 CO 0.36 -0.19 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.76 3jx8 s LEU 160 N 1.32 2.17 -0.12 5.43 2.96 -0.76 -4.09 118.68 125.59 3jx8 s LEU 160 Ca -0.07 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 3jx8 s LEU 160 Cb -0.12 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.19 3jx8 s LEU 160 CO -0.06 0.25 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.41 3jx8 s GLU 161 N -0.18 1.90 -0.29 1.98 2.12 -1.26 -1.33 118.70 121.64 3jx8 s GLU 161 Ca -0.03 -0.41 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 3jx8 s GLU 161 Cb -0.14 -1.80 0.06 0.00 0.26 0.00 0.00 34.13 32.52 3jx8 s GLU 161 CO 0.04 -0.21 -0.02 0.00 -0.54 0.00 0.00 175.26 174.52 3jx8 s ASN 163 N 1.22 3.74 -0.30 0.00 0.01 0.60 -1.56 114.94 118.66 3jx8 s ASN 163 Ca -0.05 -1.21 -0.17 0.00 -0.71 0.00 0.00 52.86 50.72 3jx8 s ASN 163 Cb -0.20 -0.35 0.17 0.00 0.41 0.00 0.00 41.25 41.28 3jx8 s ASN 163 CO -0.03 -0.22 1.18 0.00 -1.51 0.00 0.00 177.10 176.52 3jx8 s ALA 165 N -2.62 -3.69 0.00 0.60 0.00 -1.26 -4.06 121.76 110.73 3jx8 s ALA 165 Ca 0.33 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3jx8 s ALA 165 Cb 0.03 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.60 3jx8 s ALA 165 CO 0.17 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.91 3jx8 n GLY 166 N 5.39 0.83 0.77 0.00 0.00 -0.89 -1.52 105.19 109.76 3jx8 n GLY 166 Ca -0.08 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 2.54 2.58 -2.75 1.61 3.41 -1.00 -1.27 113.62 118.75 3jx8 n SER 167 Ca 0.00 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 3jx8 n SER 167 Cb 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.24 -0.03 3.27 5.00 0.00 -0.36 -4.35 105.19 109.96 3jx8 n GLY 168 Ca 0.12 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.23 -0.08 1.61 4.22 -0.61 -1.61 114.94 117.24 3jx8 s ASN 169 Ca 0.00 0.11 0.05 0.00 -2.14 0.00 0.00 52.86 50.87 3jx8 s ASN 169 Cb 0.00 0.34 -0.00 0.00 1.28 0.00 0.00 41.25 42.87 3jx8 s ASN 169 CO 0.00 -0.49 -0.23 -0.63 -2.04 0.00 0.00 177.10 173.71 3jx8 s ILE 170 N -1.51 1.94 -0.04 0.54 1.01 -0.40 -2.09 121.20 120.65 3jx8 s ILE 170 Ca -0.12 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.58 3jx8 s ILE 170 Cb -0.04 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.77 3jx8 s ILE 170 CO 0.04 0.54 -0.11 -0.51 0.00 0.00 0.00 174.94 174.89 3jx8 s ILE 171 N 0.15 0.96 -0.25 2.92 2.07 -0.58 -0.80 121.20 125.68 3jx8 s ILE 171 Ca -0.12 -0.44 0.02 0.00 -1.41 0.00 0.00 60.65 58.70 3jx8 s ILE 171 Cb -0.16 -0.86 0.06 0.00 0.13 0.00 0.00 42.46 41.63 3jx8 s ILE 171 CO 0.06 0.30 -0.10 0.00 -1.91 0.00 0.00 174.94 173.29 3jx8 s ALA 172 N 0.27 2.38 -0.66 1.50 0.00 -0.41 -1.18 121.76 123.66 3jx8 s ALA 172 Ca -0.05 -1.62 0.25 0.00 0.00 0.00 0.00 51.96 50.54 3jx8 s ALA 172 Cb -0.11 -1.52 0.63 0.00 0.00 0.00 0.00 23.12 22.12 3jx8 s ALA 172 CO 0.01 -1.15 1.65 0.87 0.00 0.00 0.00 175.76 177.14 3jx8 h LYS 173 N 7.83 0.00 -0.80 0.00 1.57 -1.40 -1.05 116.57 122.72 3jx8 h LYS 173 Ca -0.20 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 3jx8 h LYS 173 Cb 1.05 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.19 3jx8 h LYS 173 CO 0.45 0.00 -0.39 0.34 -0.57 0.00 0.00 179.45 179.29 3jx8 s ASP 174 N -4.75 -1.19 0.12 0.86 -1.08 -1.06 -4.58 116.67 104.98 3jx8 s ASP 174 Ca 0.09 -1.08 0.05 0.00 -0.52 0.00 0.00 52.55 51.09 3jx8 s ASP 174 Cb 0.11 1.54 -0.04 0.00 -1.46 0.00 0.00 42.92 43.08 3jx8 s ASP 174 CO 0.64 -0.08 0.02 0.27 0.52 0.00 0.00 175.17 176.54 3jx8 s ILE 175 N 1.29 4.03 -0.33 4.11 -4.36 -0.25 -0.66 121.20 125.03 3jx8 s ILE 175 Ca 0.23 -1.09 0.01 0.00 -0.26 0.00 0.00 60.65 59.54 3jx8 s ILE 175 Cb 0.01 -2.96 0.14 0.00 1.25 0.00 0.00 42.46 40.90 3jx8 s ILE 175 CO -0.07 0.04 0.30 -1.58 0.24 0.00 0.00 174.94 173.87 3jx8 s GLN 176 N -2.55 0.45 0.13 0.37 0.74 -0.01 -1.46 119.66 117.35 3jx8 s GLN 176 Ca 0.27 -0.55 0.05 0.00 0.05 0.00 0.00 55.36 55.19 3jx8 s GLN 176 Cb -0.11 -0.78 -0.04 0.00 1.10 0.00 0.00 33.01 33.18 3jx8 s GLN 176 CO 0.19 -1.11 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.19 3jx8 s LEU 177 N 1.88 2.46 0.02 3.68 1.43 -0.79 -2.03 118.68 125.32 3jx8 s LEU 177 Ca 0.13 -0.89 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 3jx8 s LEU 177 Cb -0.15 -0.48 -0.24 0.00 0.03 0.00 0.00 46.19 45.35 3jx8 s LEU 177 CO -0.19 -0.21 1.12 0.44 0.23 0.00 0.00 176.35 177.73 3jx8 h ASP 178 N 3.21 0.63 -3.78 2.29 3.32 -1.22 -2.22 116.42 118.66 3jx8 h ASP 178 Ca -0.38 -0.76 -0.39 0.00 0.02 0.00 0.00 57.03 55.52 3jx8 h ASP 178 Cb 1.20 -0.19 -0.31 0.00 0.22 0.00 0.00 39.33 40.25 3jx8 h ASP 178 CO 0.56 1.31 -0.77 0.20 -1.72 0.00 0.00 179.24 178.82 3jx8 s ASN 179 N -6.90 0.94 -0.04 6.45 0.01 0.85 -1.43 114.94 114.81 3jx8 s ASN 179 Ca -0.12 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 3jx8 s ASN 179 Cb 0.04 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.45 3jx8 s ASN 179 CO 0.85 0.04 -0.11 -0.22 -1.51 0.00 0.00 177.10 176.15 3jx8 s LEU 180 N 0.25 1.77 -0.06 0.60 2.96 -0.14 -1.83 118.68 122.23 3jx8 s LEU 180 Ca -0.03 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3jx8 s LEU 180 Cb -0.08 -0.67 0.03 0.00 0.50 0.00 0.00 46.19 45.97 3jx8 s LEU 180 CO 0.00 0.07 0.03 -0.55 -1.32 0.00 0.00 176.35 174.58 3jx8 s SER 181 N 0.27 1.31 -0.09 3.68 0.15 -0.44 -0.98 113.70 117.61 3jx8 s SER 181 Ca -0.05 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.62 3jx8 s SER 181 Cb -0.11 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 3jx8 s SER 181 CO 0.01 -0.21 -0.22 0.00 1.20 0.00 0.00 173.24 174.03 3jx8 s SER 183 N 0.32 1.22 -0.11 0.00 0.01 -0.60 -0.28 113.70 114.26 3jx8 s SER 183 Ca -0.16 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 56.99 3jx8 s SER 183 Cb -0.17 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.61 3jx8 s SER 183 CO 0.07 -0.10 -0.12 -0.22 0.41 0.00 0.00 173.24 173.28 3jx8 s LEU 184 N 1.29 1.52 -0.00 2.44 0.20 0.34 -4.15 118.68 120.32 3jx8 s LEU 184 Ca -0.05 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.42 3jx8 s LEU 184 Cb -0.14 -0.99 -0.03 0.00 -0.43 0.00 0.00 46.19 44.60 3jx8 s LEU 184 CO -0.02 -0.04 -0.08 0.00 -0.29 0.00 0.00 176.35 175.91 3jx8 s ALA 185 N 1.30 2.96 0.00 5.97 0.00 -1.26 -0.54 121.76 130.18 3jx8 s ALA 185 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3jx8 s ALA 185 Cb -0.14 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.89 3jx8 s ALA 185 CO -0.05 0.60 0.00 0.45 0.00 0.00 0.00 175.76 176.76 3jx8 n SER 186 N 1.65 0.00 -0.82 0.00 2.88 -0.62 -2.10 113.62 114.61 3jx8 n SER 186 Ca -0.16 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3jx8 n SER 186 Cb 0.52 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.16 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 1.40 3.05 -2.49 -3.46 3.41 -1.16 -1.56 113.62 112.80 3jx8 n SER 187 Ca 0.00 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3jx8 n SER 187 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.89 0.70 3.28 5.00 0.00 -0.40 -4.29 105.19 110.37 3jx8 n GLY 188 Ca 0.14 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 0.63 0.45 -0.07 1.61 2.12 -0.63 -1.62 118.70 121.18 3jx8 s GLU 189 Ca 0.00 0.59 0.05 0.00 0.36 0.00 0.00 54.97 55.97 3jx8 s GLU 189 Cb 0.00 0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.56 3jx8 s GLU 189 CO 0.00 -0.08 -0.23 0.42 -0.54 0.00 0.00 175.26 174.84 3jx8 s ILE 190 N 0.44 1.90 -0.05 -3.70 1.01 -0.74 -1.28 121.20 118.79 3jx8 s ILE 190 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3jx8 s ILE 190 Cb -0.04 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.82 3jx8 s ILE 190 CO -0.02 0.53 -0.10 -0.70 0.00 0.00 0.00 174.94 174.65 3jx8 s GLU 191 N 0.07 1.26 -0.02 2.79 2.12 0.02 -0.32 118.70 124.62 3jx8 s GLU 191 Ca -0.09 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 54.94 3jx8 s GLU 191 Cb -0.15 -1.11 0.01 0.00 0.26 0.00 0.00 34.13 33.14 3jx8 s GLU 191 CO 0.05 0.04 -0.05 0.14 -0.54 0.00 0.00 175.26 174.90 3jx8 s VAL 192 N 0.54 0.45 -0.06 3.70 -7.23 -0.67 -1.29 120.40 115.85 3jx8 s VAL 192 Ca -0.10 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.92 3jx8 s VAL 192 Cb -0.13 -0.44 0.02 0.00 0.56 0.00 0.00 36.38 36.39 3jx8 s VAL 192 CO 0.02 0.17 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.30 3jx8 s ILE 193 N 0.41 0.63 0.00 -0.62 1.01 -0.40 -3.74 121.20 118.48 3jx8 s ILE 193 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3jx8 s ILE 193 Cb -0.08 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3jx8 s ILE 193 CO -0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3jx8 n GLY 194 N 4.36 -0.06 2.96 6.18 0.00 -0.54 -1.09 105.19 117.00 3jx8 n GLY 194 Ca -0.19 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.79 0.38 0.01 2.61 -4.23 -0.53 -1.32 115.64 108.78 3jx8 s THR 195 Ca 0.00 -0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 60.18 3jx8 s THR 195 Cb 0.00 -0.33 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 3jx8 s THR 195 CO 0.00 0.07 0.12 0.68 -0.54 0.00 0.00 174.62 174.96 3jx8 s VAL 196 N -0.20 0.10 -0.08 2.29 -7.23 -0.26 -1.89 120.40 113.13 3jx8 s VAL 196 Ca 0.01 -0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 59.29 3jx8 s VAL 196 Cb -0.02 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 3jx8 s VAL 196 CO -0.00 -0.44 0.34 -0.78 -0.31 0.00 0.00 175.10 173.91 3jx8 h ASP 197 N 4.11 -0.14 -3.51 4.85 3.58 -1.31 -2.86 116.42 121.15 3jx8 h ASP 197 Ca -0.31 -0.14 -0.63 0.00 0.42 0.00 0.00 57.03 56.37 3jx8 h ASP 197 Cb 1.19 0.04 -0.33 0.00 1.72 0.00 0.00 39.33 41.95 3jx8 h ASP 197 CO 0.43 0.40 -0.86 -0.13 -2.88 0.00 0.00 179.24 176.20 3jx8 s ARG 198 N -2.29 2.54 0.03 0.28 0.52 -0.52 -1.79 118.95 117.72 3jx8 s ARG 198 Ca -0.05 -0.75 0.05 0.00 -0.52 0.00 0.00 55.73 54.46 3jx8 s ARG 198 Cb -0.00 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 3jx8 s ARG 198 CO 0.19 0.18 -0.16 0.00 0.02 0.00 0.00 175.30 175.53 3jx8 s ALA 199 N 0.31 1.36 -0.09 2.13 0.00 -0.36 -0.97 121.76 124.15 3jx8 s ALA 199 Ca -0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3jx8 s ALA 199 Cb -0.16 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.72 3jx8 s ALA 199 CO 0.06 0.29 -0.03 0.45 0.00 0.00 0.00 175.76 176.53 3jx8 s SER 200 N -0.94 1.82 -0.14 0.00 0.15 -0.15 -1.09 113.70 113.35 3jx8 s SER 200 Ca 0.04 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.54 3jx8 s SER 200 Cb -0.08 -0.61 0.01 0.00 -1.71 0.00 0.00 66.02 63.64 3jx8 s SER 200 CO 0.01 -0.16 -0.22 -0.36 1.20 0.00 0.00 173.24 173.71 3jx8 s PHE 201 N 1.84 2.63 -0.03 3.44 0.08 0.46 -0.51 117.98 125.89 3jx8 s PHE 201 Ca 0.05 -1.33 0.01 0.00 0.12 0.00 0.00 56.93 55.78 3jx8 s PHE 201 Cb -0.12 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3jx8 s PHE 201 CO -0.06 -0.61 -0.04 -0.80 -0.10 0.00 0.00 175.22 173.61 3jx8 s ASN 202 N 0.83 0.76 -0.07 1.36 0.01 0.61 -0.91 114.94 117.54 3jx8 s ASN 202 Ca -0.07 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 3jx8 s ASN 202 Cb -0.15 -0.33 0.01 0.00 0.41 0.00 0.00 41.25 41.19 3jx8 s ASN 202 CO -0.02 -0.04 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.71 3jx8 s VAL 203 N 0.74 1.17 -0.42 1.60 1.01 -0.25 -0.50 120.40 123.74 3jx8 s VAL 203 Ca -0.09 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3jx8 s VAL 203 Cb -0.12 -1.08 0.12 0.00 0.00 0.00 0.00 36.38 35.30 3jx8 s VAL 203 CO -0.00 0.37 0.19 0.00 0.00 0.00 0.00 175.10 175.65 3jx8 s ALA 204 N 0.75 2.53 0.00 5.51 0.00 0.29 -0.75 121.76 130.09 3jx8 s ALA 204 Ca -0.13 -2.63 0.00 0.00 0.00 0.00 0.00 51.96 49.20 3jx8 s ALA 204 Cb -0.16 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.02 3jx8 s ALA 204 CO 0.03 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.28 3jx8 n GLY 205 N 3.76 0.91 0.52 0.00 0.00 -0.72 -1.60 105.19 108.07 3jx8 n GLY 205 Ca 0.05 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.26 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 0.90 1.66 -2.36 1.61 3.41 -1.15 -0.67 113.62 117.02 3jx8 n SER 206 Ca 0.00 -1.52 -0.02 0.00 -0.26 0.00 0.00 58.87 57.07 3jx8 n SER 206 Cb 0.00 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.21 -1.83 2.97 5.00 0.00 -0.60 -4.35 105.19 107.58 3jx8 n GLY 207 Ca 0.18 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.19 0.11 -0.19 1.61 2.12 -0.64 -1.70 118.70 116.82 3jx8 s GLU 208 Ca 0.05 0.19 -0.05 0.00 0.36 0.00 0.00 54.97 55.52 3jx8 s GLU 208 Cb -0.00 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 3jx8 s GLU 208 CO 0.04 -0.05 0.00 0.42 -0.54 0.00 0.00 175.26 175.13 3jx8 s ILE 209 N 0.30 4.06 -0.39 -3.70 1.01 -0.29 -1.79 121.20 120.40 3jx8 s ILE 209 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 3jx8 s ILE 209 Cb -0.03 -2.82 0.06 0.00 0.01 0.00 0.00 42.46 39.68 3jx8 s ILE 209 CO -0.01 0.44 0.21 -0.54 0.00 0.00 0.00 174.94 175.04 3jx8 s LYS 210 N 0.80 2.63 -0.01 2.79 1.02 0.56 -1.57 119.74 125.96 3jx8 s LYS 210 Ca 0.01 -1.34 0.02 0.00 0.02 0.00 0.00 55.97 54.67 3jx8 s LYS 210 Cb -0.14 -3.69 0.03 0.00 -0.52 0.00 0.00 37.83 33.50 3jx8 s LYS 210 CO 0.02 -0.84 0.94 0.00 -0.92 0.00 0.00 175.35 174.55 3jx8 n ALA 211 N 4.90 1.89 -0.05 5.17 0.00 0.08 -1.67 120.51 130.82 3jx8 n ALA 211 Ca -0.11 -1.08 0.16 0.00 0.00 0.00 0.00 53.44 52.42 3jx8 n ALA 211 Cb 0.44 -0.41 0.60 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 0.23 -0.59 0.00 0.04 -1.80 -0.60 116.94 114.22 3jx8 h PHE 212 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3jx8 h PHE 212 Cb 1.29 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3jx8 h PHE 212 CO 0.08 0.10 0.00 -0.25 -0.60 0.00 0.00 178.31 177.63 3jx8 n ASP 213 N -4.43 4.70 -4.13 2.17 9.92 -1.26 -4.55 116.55 118.96 3jx8 n ASP 213 Ca 0.10 -2.52 -0.36 0.00 -0.53 0.00 0.00 54.79 51.49 3jx8 n ASP 213 Cb 0.51 -0.59 -0.12 0.00 -0.64 0.00 0.00 41.12 40.28 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 1.17 3.38 -0.07 0.00 0.74 -0.43 -4.23 119.66 120.22 3jx8 s GLN 215 Ca 0.06 0.47 -0.05 0.00 0.05 0.00 0.00 55.36 55.89 3jx8 s GLN 215 Cb -0.22 -4.09 -0.04 0.00 1.10 0.00 0.00 33.01 29.76 3jx8 s GLN 215 CO -0.04 -1.83 0.16 0.00 -0.55 0.00 0.00 175.29 173.03 3jx8 s ALA 216 N 5.73 3.90 -0.04 1.58 0.00 -0.60 -1.10 121.76 131.24 3jx8 s ALA 216 Ca 0.51 -0.70 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 3jx8 s ALA 216 Cb -0.10 -1.92 -0.18 0.00 0.00 0.00 0.00 23.12 20.91 3jx8 s ALA 216 CO 0.26 0.68 1.07 -0.09 0.00 0.00 0.00 175.76 177.67 3jx8 h ARG 217 N 4.47 -0.14 -5.22 0.00 2.43 -1.12 0.91 114.38 115.72 3jx8 h ARG 217 Ca -0.52 0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.08 3jx8 h ARG 217 Cb 1.21 0.03 -0.32 0.00 -0.42 0.00 0.00 29.97 30.47 3jx8 h ARG 217 CO 0.63 0.34 -0.84 0.15 -1.51 0.00 0.00 179.97 178.74 3jx8 s LYS 218 N -3.83 1.93 0.02 0.20 1.02 -0.74 -0.57 119.74 117.77 3jx8 s LYS 218 Ca -0.15 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.25 3jx8 s LYS 218 Cb 0.01 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.67 3jx8 s LYS 218 CO 0.58 0.21 -0.08 0.00 -0.92 0.00 0.00 175.35 175.14 3jx8 s ALA 219 N 0.16 0.60 -0.11 5.17 0.00 -0.16 -1.22 121.76 126.20 3jx8 s ALA 219 Ca -0.07 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3jx8 s ALA 219 Cb -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3jx8 s ALA 219 CO 0.03 0.09 -0.23 -2.00 0.00 0.00 0.00 175.76 173.65 3jx8 s GLU 220 N -0.75 3.01 -0.09 0.00 2.12 -0.25 -1.00 118.70 121.75 3jx8 s GLU 220 Ca -0.02 -0.86 0.05 0.00 0.36 0.00 0.00 54.97 54.49 3jx8 s GLU 220 Cb -0.06 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 3jx8 s GLU 220 CO 0.00 0.10 -0.24 0.00 -0.54 0.00 0.00 175.26 174.59 3jx8 s ASN 222 N 0.21 1.41 -0.09 0.00 0.01 -0.08 -1.01 114.94 115.38 3jx8 s ASN 222 Ca -0.14 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 3jx8 s ASN 222 Cb -0.17 -0.60 0.01 0.00 0.41 0.00 0.00 41.25 40.90 3jx8 s ASN 222 CO 0.07 -0.06 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.81 3jx8 s ILE 223 N 1.07 1.53 -0.15 0.60 1.01 -0.16 -1.09 121.20 124.00 3jx8 s ILE 223 Ca -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3jx8 s ILE 223 Cb -0.14 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3jx8 s ILE 223 CO -0.01 0.44 -0.09 0.00 0.00 0.00 0.00 174.94 175.29 3jx8 s ALA 224 N 0.64 2.75 0.00 9.38 0.00 0.07 -0.23 121.76 134.36 3jx8 s ALA 224 Ca -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3jx8 s ALA 224 Cb -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3jx8 s ALA 224 CO 0.04 0.11 0.00 0.45 0.00 0.00 0.00 175.76 176.36 3jx8 n SER 225 N 3.76 0.00 -0.99 0.00 2.88 -0.01 -1.76 113.62 117.50 3jx8 n SER 225 Ca -0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3jx8 n SER 225 Cb 0.52 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.19 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 2.38 3.28 -3.43 -3.46 3.41 -1.21 -1.67 113.62 112.93 3jx8 n SER 226 Ca 0.00 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.38 3jx8 n SER 226 Cb 0.00 -0.28 0.25 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.17 -3.08 2.91 5.00 0.00 0.15 -4.29 105.19 107.04 3jx8 n GLY 227 Ca 0.17 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 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 -5.26 0.12 -0.06 1.61 2.02 -0.69 -1.49 118.70 114.94 3jx8 s GLU 228 Ca 0.67 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 55.50 3jx8 s GLU 228 Cb -0.08 -0.01 0.02 0.00 0.10 0.00 0.00 34.13 34.15 3jx8 s GLU 228 CO 0.52 -0.00 -0.10 0.42 0.02 0.00 0.00 175.26 176.12 3jx8 s ILE 229 N -0.39 0.97 -0.21 -1.63 1.01 -0.47 -1.13 121.20 119.34 3jx8 s ILE 229 Ca -0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 3jx8 s ILE 229 Cb -0.03 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 3jx8 s ILE 229 CO -0.00 0.32 -0.02 -0.44 0.00 0.00 0.00 174.94 174.80 3jx8 s SER 230 N 0.74 4.59 0.04 3.58 0.01 -0.61 -1.03 113.70 121.02 3jx8 s SER 230 Ca -0.14 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 56.85 3jx8 s SER 230 Cb -0.15 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.26 3jx8 s SER 230 CO 0.03 0.01 -0.09 0.54 0.41 0.00 0.00 173.24 174.14 3jx8 s VAL 231 N 1.29 0.65 -0.26 3.43 0.11 -0.10 -0.75 120.40 124.78 3jx8 s VAL 231 Ca 0.04 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 3jx8 s VAL 231 Cb -0.14 -0.68 0.07 0.00 -1.53 0.00 0.00 36.38 34.09 3jx8 s VAL 231 CO -0.00 -0.30 -0.01 -0.47 -3.33 0.00 0.00 175.10 170.98 3jx8 s TYR 232 N -1.25 2.39 -0.02 1.54 5.04 -1.24 -1.09 117.35 122.72 3jx8 s TYR 232 Ca -0.07 -1.86 0.06 0.00 -2.44 0.00 0.00 57.07 52.76 3jx8 s TYR 232 Cb -0.09 -1.73 -0.01 0.00 0.35 0.00 0.00 41.96 40.47 3jx8 s TYR 232 CO 0.01 -0.80 -0.20 0.00 -1.34 0.00 0.00 175.55 173.22 3jx8 s ALA 233 N 1.39 1.68 -0.18 3.97 0.00 -1.09 -1.56 121.76 125.99 3jx8 s ALA 233 Ca -0.01 -0.85 0.12 0.00 0.00 0.00 0.00 51.96 51.22 3jx8 s ALA 233 Cb -0.19 -0.45 -0.23 0.00 0.00 0.00 0.00 23.12 22.25 3jx8 s ALA 233 CO -0.09 0.39 0.13 0.25 0.00 0.00 0.00 175.76 176.44 3jx8 n THR 234 N 2.68 1.47 -0.03 0.00 -2.24 0.32 -3.74 114.28 112.75 3jx8 n THR 234 Ca -0.16 -0.78 -0.08 0.00 -2.27 0.00 0.00 64.05 60.77 3jx8 n THR 234 Cb 0.53 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.95 0.19 -4.42 -0.78 7.27 0.26 -3.47 117.38 113.49 3jx8 n GLN 235 Ca -0.33 0.08 -0.22 0.00 0.07 0.00 0.00 57.00 56.61 3jx8 n GLN 235 Cb 1.10 -0.82 -0.16 0.00 2.41 0.00 0.00 30.24 32.77 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 0.87 -0.06 1.69 -1.09 -0.88 -0.65 121.20 118.86 3jx8 s ILE 236 Ca -0.12 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3jx8 s ILE 236 Cb 0.04 -0.80 0.02 0.00 -1.58 0.00 0.00 42.46 40.14 3jx8 s ILE 236 CO 0.16 0.28 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.88 3jx8 s LEU 237 N 0.52 1.19 -0.32 2.97 2.96 -0.34 -0.99 118.68 124.68 3jx8 s LEU 237 Ca -0.09 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3jx8 s LEU 237 Cb -0.13 -0.55 0.06 0.00 0.50 0.00 0.00 46.19 46.08 3jx8 s LEU 237 CO 0.02 -0.08 0.03 -0.62 -1.32 0.00 0.00 176.35 174.37 3jx8 s ASP 238 N 1.21 4.92 -0.27 3.68 -1.08 -0.17 -0.80 116.67 124.16 3jx8 s ASP 238 Ca -0.06 -1.43 -0.04 0.00 -0.52 0.00 0.00 52.55 50.50 3jx8 s ASP 238 Cb -0.14 -1.72 0.01 0.00 -1.46 0.00 0.00 42.92 39.62 3jx8 s ASP 238 CO -0.02 -0.30 0.01 0.00 0.52 0.00 0.00 175.17 175.38 3jx8 s ALA 239 N 1.21 2.89 -0.07 3.66 0.00 0.31 0.28 121.76 130.03 3jx8 s ALA 239 Ca -0.03 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.53 3jx8 s ALA 239 Cb -0.20 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.03 3jx8 s ALA 239 CO -0.02 -0.82 -0.10 -0.80 0.00 0.00 0.00 175.76 174.02 3jx8 s ASN 240 N 1.42 1.72 -0.04 0.00 0.01 -0.18 -0.89 114.94 116.98 3jx8 s ASN 240 Ca 0.02 -0.27 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 3jx8 s ASN 240 Cb -0.17 -0.76 0.01 0.00 0.41 0.00 0.00 41.25 40.75 3jx8 s ASN 240 CO -0.01 -0.02 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.85 3jx8 s ILE 241 N 0.96 0.80 -0.33 0.60 1.01 0.05 -0.99 121.20 123.29 3jx8 s ILE 241 Ca -0.09 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3jx8 s ILE 241 Cb -0.15 -0.75 0.10 0.00 0.01 0.00 0.00 42.46 41.67 3jx8 s ILE 241 CO 0.00 0.27 0.08 -0.69 0.00 0.00 0.00 174.94 174.61 3jx8 s VAL 242 N 0.58 1.61 -2.78 2.92 1.01 0.68 -4.19 120.40 120.22 3jx8 s VAL 242 Ca -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 59.95 3jx8 s VAL 242 Cb -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3jx8 s VAL 242 CO 0.01 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.07 3jx8 n GLY 243 N 4.48 0.66 1.12 4.51 0.00 -1.26 -0.83 105.19 113.86 3jx8 n GLY 243 Ca 0.01 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 3.34 -3.62 1.61 3.41 -1.11 -1.37 113.62 115.88 3jx8 n SER 244 Ca 0.00 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.33 3jx8 n SER 244 Cb 0.00 -0.23 0.25 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.51 1.61 -0.02 5.00 0.00 -0.67 -4.22 107.32 107.52 3jx8 s GLY 245 Ca 0.38 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 3jx8 s GLY 245 CO 0.31 -0.17 0.03 -0.54 0.00 0.00 0.00 173.10 172.74 3jx8 s GLU 246 N -5.55 0.02 -0.20 2.90 2.02 -0.56 -1.93 118.70 115.40 3jx8 s GLU 246 Ca 0.73 0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.77 3jx8 s GLU 246 Cb -0.07 -0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.09 3jx8 s GLU 246 CO 0.55 -0.05 -0.04 0.42 0.02 0.00 0.00 175.26 176.16 3jx8 s ILE 247 N 0.33 3.48 -0.17 -1.63 1.01 -0.70 -1.37 121.20 122.15 3jx8 s ILE 247 Ca -0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3jx8 s ILE 247 Cb -0.04 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 3jx8 s ILE 247 CO -0.01 0.44 -0.05 -1.00 0.00 0.00 0.00 174.94 174.32 3jx8 s HIS 248 N 1.18 2.96 0.10 3.97 3.76 -0.20 -1.29 115.29 125.77 3jx8 s HIS 248 Ca 0.02 -0.56 0.06 0.00 -0.15 0.00 0.00 55.06 54.43 3jx8 s HIS 248 Cb -0.14 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 3jx8 s HIS 248 CO -0.01 -0.24 -0.15 1.52 -0.85 0.00 0.00 174.74 175.01 3jx8 s TYR 249 N 0.76 1.40 0.35 1.40 1.13 -0.24 -0.92 117.35 121.22 3jx8 s TYR 249 Ca -0.02 -0.50 0.04 0.00 -1.41 0.00 0.00 57.07 55.18 3jx8 s TYR 249 Cb -0.15 -0.75 -0.05 0.00 -1.10 0.00 0.00 41.96 39.91 3jx8 s TYR 249 CO 0.02 0.13 0.08 -1.59 -2.51 0.00 0.00 175.55 171.67 3jx8 s LYS 250 N -2.22 1.74 0.00 -3.49 -2.85 -0.25 -0.22 119.74 112.45 3jx8 s LYS 250 Ca 0.05 -2.00 0.00 0.00 -1.00 0.00 0.00 55.97 53.02 3jx8 s LYS 250 Cb -0.08 -0.81 0.00 0.00 -2.06 0.00 0.00 37.83 34.89 3jx8 s LYS 250 CO 0.03 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.62 3jx8 n GLY 251 N -0.76 -0.09 2.75 0.59 0.00 -1.26 -2.66 105.19 103.75 3jx8 n GLY 251 Ca -0.04 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.47 4.01 -4.59 1.61 8.00 -1.25 -4.97 116.55 118.88 3jx8 n ASP 252 Ca 0.00 -3.58 -0.29 0.00 0.71 0.00 0.00 54.79 51.63 3jx8 n ASP 252 Cb 0.00 -0.54 0.14 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.36 1.19 -0.28 -0.24 0.04 -1.23 -4.75 135.00 126.37 3jx8 s PRO 253 Ca 0.47 -0.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.24 3jx8 s PRO 253 Cb 0.32 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.99 3jx8 s PRO 253 CO -0.14 -2.11 0.94 -1.21 0.04 0.00 0.00 177.00 174.53 3jx8 s GLU 254 N -5.58 4.10 -0.17 4.56 2.02 0.17 -4.88 118.70 118.92 3jx8 s GLU 254 Ca 0.66 0.98 -0.09 0.00 0.02 0.00 0.00 54.97 56.54 3jx8 s GLU 254 Cb -0.10 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 3jx8 s GLU 254 CO 0.52 -0.70 0.13 -1.50 0.02 0.00 0.00 175.26 173.73 3jx8 s ILE 255 N 3.20 5.45 -0.22 -1.63 2.07 -1.26 -1.20 121.20 127.61 3jx8 s ILE 255 Ca 0.39 0.20 -0.07 0.00 -1.41 0.00 0.00 60.65 59.76 3jx8 s ILE 255 Cb -0.14 -3.45 -0.03 0.00 0.13 0.00 0.00 42.46 38.97 3jx8 s ILE 255 CO 0.11 0.51 0.05 -0.44 -1.91 0.00 0.00 174.94 173.26 3jx8 s SER 256 N -0.14 5.23 -0.05 4.50 0.01 0.02 -4.98 113.70 118.29 3jx8 s SER 256 Ca 0.11 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.25 3jx8 s SER 256 Cb -0.11 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.17 3jx8 s SER 256 CO 0.00 0.05 -0.01 -0.54 0.41 0.00 0.00 173.24 173.15 3jx8 s LYS 257 N 1.09 2.85 -0.24 12.44 1.02 -1.26 -0.53 119.74 135.11 3jx8 s LYS 257 Ca 0.04 -0.52 -0.05 0.00 0.02 0.00 0.00 55.97 55.46 3jx8 s LYS 257 Cb -0.14 -2.70 0.13 0.00 -0.52 0.00 0.00 37.83 34.59 3jx8 s LYS 257 CO 0.03 0.66 0.46 0.45 -0.92 0.00 0.00 175.35 176.03 3jx8 s SER 258 N -1.13 -0.34 0.35 2.83 0.15 -0.07 -4.98 113.70 110.52 3jx8 s SER 258 Ca 0.15 0.75 0.02 0.00 0.70 0.00 0.00 55.95 57.57 3jx8 s SER 258 Cb -0.11 1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 65.68 3jx8 s SER 258 CO 0.05 -0.26 0.06 -0.38 1.20 0.00 0.00 173.24 173.91 3jx8 n ILE 259 N 5.39 0.00 -2.99 6.45 5.41 -1.26 -0.77 119.36 131.59 3jx8 n ILE 259 Ca -0.06 -1.86 0.00 0.00 1.00 0.00 0.00 62.75 61.84 3jx8 n ILE 259 Cb 0.50 0.53 0.00 0.00 -0.71 0.00 0.00 39.64 39.96 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 0.08 -0.25 0.47 7.39 0.00 -1.26 -4.98 105.19 106.63 3jx8 n GLY 261 Ca -0.10 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.40 1.39 -3.48 1.61 3.41 -1.11 -4.92 113.62 107.11 3jx8 n SER 262 Ca 0.00 -1.76 -0.29 0.00 -0.26 0.00 0.00 58.87 56.56 3jx8 n SER 262 Cb 0.00 -0.12 0.25 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 1.03 -2.90 3.36 5.00 0.00 -0.47 -4.85 105.19 106.35 3jx8 n GLY 263 Ca 0.14 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.21 -0.37 -0.09 1.61 1.04 -0.81 -4.97 113.70 105.90 3jx8 s SER 264 Ca 0.68 0.08 0.03 0.00 0.48 0.00 0.00 55.95 57.21 3jx8 s SER 264 Cb -0.07 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 3jx8 s SER 264 CO 0.53 -0.71 -0.18 -0.63 0.98 0.00 0.00 173.24 173.24 3jx8 s ILE 265 N -2.54 2.69 -0.02 -1.02 1.01 -1.26 -1.72 121.20 118.34 3jx8 s ILE 265 Ca -0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 3jx8 s ILE 265 Cb -0.01 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3jx8 s ILE 265 CO -0.03 0.55 0.06 0.54 0.00 0.00 0.00 174.94 176.06 3jx8 s ASN 266 N -0.00 -0.06 -0.01 3.58 4.22 -0.41 -5.00 114.94 117.26 3jx8 s ASN 266 Ca -0.06 0.11 -0.12 0.00 -2.14 0.00 0.00 52.86 50.65 3jx8 s ASN 266 Cb -0.15 0.12 -0.05 0.00 1.28 0.00 0.00 41.25 42.45 3jx8 s ASN 266 CO 0.05 -0.02 0.35 -0.75 -2.04 0.00 0.00 177.10 174.69 3jx8 s LYS 267 N 0.01 3.80 0.17 3.55 2.20 -1.26 -1.08 119.74 127.12 3jx8 s LYS 267 Ca -0.00 0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.94 3jx8 s LYS 267 Cb -0.01 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3jx8 s LYS 267 CO 0.00 0.69 -0.14 0.14 -0.36 0.00 0.00 175.35 175.68 3jx8 s VAL 268 N -1.13 1.51 -2.00 4.02 -7.23 0.70 -4.89 120.40 111.38 3jx8 s VAL 268 Ca 0.24 -2.03 0.20 0.00 -1.81 0.00 0.00 61.98 58.58 3jx8 s VAL 268 Cb -0.15 -1.86 0.58 0.00 0.56 0.00 0.00 36.38 35.51 3jx8 s VAL 268 CO 0.13 -0.56 1.60 0.29 -0.31 0.00 0.00 175.10 176.24