#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij2 s MET 9 N 0.00 4.05 0.00 -0.41 1.75 -1.26 -3.92 119.30 119.51 3ij2 s MET 9 Ca 0.00 -0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.43 3ij2 s MET 9 Cb 0.00 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 34.05 3ij2 s MET 9 CO 0.00 -0.17 0.00 0.41 -0.65 0.00 0.00 175.02 174.61 3ij2 n GLY 10 N 4.53 0.81 3.39 2.11 0.00 -1.26 -5.13 105.19 109.64 3ij2 n GLY 10 Ca -0.10 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3ij2 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij2 s GLU 11 N -0.66 1.41 -0.02 1.61 2.02 -1.25 -5.13 118.70 116.67 3ij2 s GLU 11 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 53.65 3ij2 s GLU 11 Cb 0.00 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.34 3ij2 s GLU 11 CO 0.00 0.45 -0.01 -0.06 0.02 0.00 0.00 175.26 175.66 3ij2 s PHE 12 N -1.05 0.32 1.03 1.61 0.08 -1.26 -5.14 117.98 113.57 3ij2 s PHE 12 Ca 0.14 -0.03 -0.12 0.00 0.12 0.00 0.00 56.93 57.05 3ij2 s PHE 12 Cb -0.10 -0.34 0.21 0.00 -0.57 0.00 0.00 43.02 42.22 3ij2 s PHE 12 CO 0.06 -0.09 1.08 -1.54 -0.10 0.00 0.00 175.22 174.63 3ij2 s SER 13 N 0.63 2.09 -0.03 1.36 1.04 -1.26 -4.95 113.70 112.59 3ij2 s SER 13 Ca -0.06 1.76 0.15 0.00 0.48 0.00 0.00 55.95 58.28 3ij2 s SER 13 Cb -0.09 -2.38 -0.24 0.00 0.10 0.00 0.00 66.02 63.41 3ij2 s SER 13 CO -0.01 -3.55 0.33 0.52 0.98 0.00 0.00 173.24 171.51 3ij2 n VAL 14 N -4.50 0.03 -3.82 5.02 0.31 -1.26 -4.77 118.33 109.34 3ij2 n VAL 14 Ca 0.07 -0.36 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 3ij2 n VAL 14 Cb 0.54 0.12 -0.17 0.00 -0.91 0.00 0.00 33.84 33.42 3ij2 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ij2 s ASP 16 N 1.82 6.49 0.01 0.00 1.01 -1.26 -4.91 116.67 119.83 3ij2 s ASP 16 Ca 0.03 1.76 -0.05 0.00 0.71 0.00 0.00 52.55 55.01 3ij2 s ASP 16 Cb -0.14 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.25 3ij2 s ASP 16 CO -0.07 -0.68 0.08 -0.94 0.21 0.00 0.00 175.17 173.77 3ij2 s SER 17 N -2.40 0.12 -0.13 0.27 1.04 -1.26 -2.09 113.70 109.25 3ij2 s SER 17 Ca 0.63 -0.35 -0.00 0.00 0.48 0.00 0.00 55.95 56.70 3ij2 s SER 17 Cb -0.13 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.20 3ij2 s SER 17 CO 0.23 -0.38 -0.07 -0.69 0.98 0.00 0.00 173.24 173.31 3ij2 s VAL 18 N -1.65 1.07 0.04 5.02 1.01 -0.32 -4.85 120.40 120.73 3ij2 s VAL 18 Ca -0.13 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3ij2 s VAL 18 Cb -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3ij2 s VAL 18 CO -0.00 0.31 0.02 -0.44 0.00 0.00 0.00 175.10 174.99 3ij2 s SER 19 N 1.68 5.24 0.05 3.32 0.01 -1.26 -2.22 113.70 120.51 3ij2 s SER 19 Ca 0.04 -0.03 -0.21 0.00 1.31 0.00 0.00 55.95 57.06 3ij2 s SER 19 Cb -0.13 -1.36 0.05 0.00 0.21 0.00 0.00 66.02 64.78 3ij2 s SER 19 CO -0.08 0.23 0.49 0.54 0.41 0.00 0.00 173.24 174.83 3ij2 s VAL 20 N -1.21 0.04 -0.12 3.43 0.11 0.11 -5.00 120.40 117.76 3ij2 s VAL 20 Ca 0.23 -0.31 -0.22 0.00 -2.93 0.00 0.00 61.98 58.75 3ij2 s VAL 20 Cb -0.12 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 3ij2 s VAL 20 CO 0.15 -0.17 0.67 0.26 -3.33 0.00 0.00 175.10 172.68 3ij2 s TRP 21 N -2.49 3.50 -0.62 1.54 0.52 -1.26 -1.74 118.94 118.39 3ij2 s TRP 21 Ca -0.05 1.12 0.01 0.00 0.02 0.00 0.00 56.10 57.20 3ij2 s TRP 21 Cb -0.01 -2.79 0.16 0.00 -1.15 0.00 0.00 33.47 29.68 3ij2 s TRP 21 CO -0.02 0.00 0.41 0.08 0.02 0.00 0.00 176.95 177.44 3ij2 s VAL 22 N 1.19 3.26 0.08 4.03 1.01 0.11 -4.85 120.40 125.22 3ij2 s VAL 22 Ca 0.34 -3.35 -0.09 0.00 0.00 0.00 0.00 61.98 58.88 3ij2 s VAL 22 Cb -0.17 -3.15 -0.27 0.00 0.00 0.00 0.00 36.38 32.79 3ij2 s VAL 22 CO 0.15 -0.88 1.15 1.23 0.00 0.00 0.00 175.10 176.74 3ij2 h GLY 23 N 6.53 0.50 -6.04 4.51 0.00 -1.84 -2.90 103.07 103.82 3ij2 h GLY 23 Ca -0.00 -1.10 -0.73 0.00 0.00 0.00 0.00 47.33 45.50 3ij2 h GLY 23 CO 0.72 0.97 2.68 1.34 0.00 0.00 0.00 176.54 182.25 3ij2 n ASP 24 N -3.68 5.27 -4.31 0.19 -0.08 -1.26 -4.52 116.55 108.16 3ij2 n ASP 24 Ca -0.11 -2.96 -0.32 0.00 -1.51 0.00 0.00 54.79 49.89 3ij2 n ASP 24 Cb 0.98 -1.54 -0.15 0.00 2.34 0.00 0.00 41.12 42.74 3ij2 n ASP 24 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 3ij2 s LYS 25 N 1.50 3.20 0.00 -0.67 2.20 -1.26 -4.96 119.74 119.75 3ij2 s LYS 25 Ca 0.47 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 3ij2 s LYS 25 Cb 0.13 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 3ij2 s LYS 25 CO -0.05 0.22 0.00 0.25 -0.36 0.00 0.00 175.35 175.41 3ij2 n THR 26 N 3.47 0.00 -3.98 3.43 -2.24 -1.26 -4.28 114.28 109.42 3ij2 n THR 26 Ca -0.18 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 3ij2 n THR 26 Cb 0.53 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.46 3ij2 n THR 26 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ij2 s THR 27 N -0.52 0.11 0.14 4.28 2.01 -1.26 -1.59 115.64 118.81 3ij2 s THR 27 Ca 0.00 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 3ij2 s THR 27 Cb 0.00 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.29 3ij2 s THR 27 CO 0.00 -0.47 0.39 0.00 -0.69 0.00 0.00 174.62 173.85 3ij2 n ALA 28 N 1.68 -0.93 -4.00 7.40 0.00 0.57 -4.83 120.51 120.40 3ij2 n ALA 28 Ca -0.23 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.39 3ij2 n ALA 28 Cb 0.55 0.38 -0.17 0.00 0.00 0.00 0.00 19.45 20.22 3ij2 n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ij2 s THR 29 N -2.51 1.47 0.28 0.00 2.01 -1.26 -0.88 115.64 114.74 3ij2 s THR 29 Ca 0.08 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 3ij2 s THR 29 Cb -0.02 -1.40 -0.15 0.00 0.01 0.00 0.00 72.50 70.94 3ij2 s THR 29 CO 0.04 0.44 0.64 -0.67 -0.69 0.00 0.00 174.62 174.38 3ij2 n ASP 30 N 4.80 -0.55 -0.27 3.53 2.03 0.80 -2.31 116.55 124.59 3ij2 n ASP 30 Ca -0.16 1.09 0.04 0.00 0.52 0.00 0.00 54.79 56.27 3ij2 n ASP 30 Cb 0.50 -1.07 0.17 0.00 -0.72 0.00 0.00 41.12 40.00 3ij2 n ASP 30 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3ij2 h ILE 31 N 1.22 0.82 -0.26 5.18 2.10 0.47 0.36 117.51 127.39 3ij2 h ILE 31 Ca -0.34 -0.22 0.08 0.00 1.08 0.00 0.00 64.86 65.45 3ij2 h ILE 31 Cb 1.40 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 3ij2 h ILE 31 CO 0.56 0.12 0.39 0.11 -1.08 0.00 0.00 178.15 178.26 3ij2 h LYS 32 N 0.65 0.00 0.00 2.19 1.79 -1.88 -3.44 116.57 115.88 3ij2 h LYS 32 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3ij2 h LYS 32 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3ij2 h LYS 32 CO -0.30 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.48 3ij2 n GLY 33 N -1.40 1.07 3.50 3.86 0.00 0.13 -5.08 105.19 107.27 3ij2 n GLY 33 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3ij2 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ij2 s LYS 34 N -0.24 3.27 0.23 1.61 2.20 -1.18 -4.66 119.74 120.97 3ij2 s LYS 34 Ca 0.00 -0.46 -0.24 0.00 -0.36 0.00 0.00 55.97 54.91 3ij2 s LYS 34 Cb 0.00 -4.03 -0.15 0.00 -1.51 0.00 0.00 37.83 32.14 3ij2 s LYS 34 CO 0.00 -1.26 0.37 -1.91 -0.36 0.00 0.00 175.35 172.19 3ij2 n GLU 35 N 6.72 0.00 -3.82 4.03 4.07 -1.26 -0.14 120.64 130.24 3ij2 n GLU 35 Ca -0.01 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.03 3ij2 n GLU 35 Cb 0.47 -0.91 -0.01 0.00 -0.06 0.00 0.00 31.44 30.93 3ij2 n GLU 35 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3ij2 s VAL 36 N -1.08 0.00 0.16 6.31 0.11 -0.06 -4.69 120.40 121.15 3ij2 s VAL 36 Ca 0.57 -0.86 0.11 0.00 -2.93 0.00 0.00 61.98 58.87 3ij2 s VAL 36 Cb -0.78 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 3ij2 s VAL 36 CO 0.53 0.00 -0.24 0.42 -3.33 0.00 0.00 175.10 172.47 3ij2 s THR 37 N -3.27 2.39 0.53 5.04 -4.23 -1.24 -0.32 115.64 114.54 3ij2 s THR 37 Ca 0.13 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 3ij2 s THR 37 Cb -0.04 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.73 3ij2 s THR 37 CO 0.06 -0.00 0.42 -0.69 -0.54 0.00 0.00 174.62 173.87 3ij2 s VAL 38 N -1.35 1.84 0.15 2.29 1.01 -0.62 -0.56 120.40 123.17 3ij2 s VAL 38 Ca 0.18 -1.44 0.05 0.00 0.00 0.00 0.00 61.98 60.77 3ij2 s VAL 38 Cb -0.09 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3ij2 s VAL 38 CO 0.08 0.00 0.11 -0.76 0.00 0.00 0.00 175.10 174.54 3ij2 s LEU 39 N -4.28 3.75 0.00 3.92 1.02 -1.25 -4.72 118.68 117.13 3ij2 s LEU 39 Ca 0.38 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.40 3ij2 s LEU 39 Cb -0.02 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.81 3ij2 s LEU 39 CO 0.24 0.09 0.00 0.00 0.02 0.00 0.00 176.35 176.69 3ij2 n ALA 40 N -0.20 0.81 0.02 4.21 0.00 -1.26 -4.52 120.51 119.57 3ij2 n ALA 40 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 3ij2 n ALA 40 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 3ij2 n ALA 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ij2 h GLU 41 N 0.00 -0.31 -6.97 0.00 5.08 -1.95 -3.35 114.58 107.08 3ij2 h GLU 41 Ca 0.00 0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 57.81 3ij2 h GLU 41 Cb 0.00 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.18 3ij2 h GLU 41 CO 0.00 -0.21 -0.92 0.28 -1.00 0.00 0.00 179.01 177.16 3ij2 n VAL 42 N -5.36 -1.42 -0.33 3.13 0.31 -1.26 -4.36 118.33 109.03 3ij2 n VAL 42 Ca -0.03 -0.49 -0.03 0.00 -0.01 0.00 0.00 64.34 63.77 3ij2 n VAL 42 Cb 0.28 -1.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 3ij2 n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ij2 n ASN 43 N -2.43 2.19 -4.55 4.52 5.03 -1.26 -4.59 115.26 114.17 3ij2 n ASN 43 Ca -0.24 -1.77 -0.43 0.00 0.87 0.00 0.00 54.58 53.01 3ij2 n ASN 43 Cb 0.61 -0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 38.80 3ij2 n ASN 43 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ij2 s ILE 44 N 1.76 4.20 0.00 2.41 1.01 -1.26 -3.77 121.20 125.54 3ij2 s ILE 44 Ca 0.16 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3ij2 s ILE 44 Cb 0.08 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.91 3ij2 s ILE 44 CO 0.00 -1.23 0.00 0.59 0.00 0.00 0.00 174.94 174.30 3ij2 n ASN 45 N 7.97 0.00 0.00 3.58 3.02 -1.26 -4.33 115.26 124.24 3ij2 n ASN 45 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3ij2 n ASN 45 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3ij2 n ASN 45 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ij2 n ASN 46 N 0.00 -0.26 -2.00 6.41 3.02 -1.25 -5.00 115.26 116.18 3ij2 n ASN 46 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3ij2 n ASN 46 Cb 0.00 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3ij2 n ASN 46 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ij2 n SER 47 N -0.02 0.00 0.00 6.41 3.41 -1.26 -5.05 113.62 117.10 3ij2 n SER 47 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3ij2 n SER 47 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3ij2 n SER 47 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ij2 n VAL 48 N -1.51 0.00 0.00 -3.33 0.24 -1.26 -4.25 118.33 108.22 3ij2 n VAL 48 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3ij2 n VAL 48 Cb 0.00 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 3ij2 n VAL 48 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3ij2 n PHE 49 N -0.77 0.00 0.00 6.34 3.72 -1.26 -4.52 117.46 120.97 3ij2 n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3ij2 n PHE 49 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3ij2 n PHE 49 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ij2 n ARG 50 N 7.37 0.00 -4.13 -1.08 1.74 -1.26 -5.05 116.66 114.25 3ij2 n ARG 50 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3ij2 n ARG 50 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 3ij2 n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3ij2 s GLN 51 N -4.36 3.00 0.10 5.56 -0.21 -1.26 -5.11 119.66 117.38 3ij2 s GLN 51 Ca 0.00 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 54.55 3ij2 s GLN 51 Cb 0.00 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 3ij2 s GLN 51 CO 0.00 -0.20 0.27 0.71 -2.12 0.00 0.00 175.29 173.95 3ij2 s TYR 52 N 1.28 3.50 0.04 0.91 2.02 -1.26 -4.38 117.35 119.46 3ij2 s TYR 52 Ca 0.05 0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 57.01 3ij2 s TYR 52 Cb -0.13 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3ij2 s TYR 52 CO -0.12 0.53 0.03 -0.06 -1.57 0.00 0.00 175.55 174.35 3ij2 s PHE 53 N -1.61 0.34 -0.46 2.71 0.08 -1.09 -4.93 117.98 113.01 3ij2 s PHE 53 Ca 0.36 -0.75 -0.05 0.00 0.12 0.00 0.00 56.93 56.61 3ij2 s PHE 53 Cb -0.12 -0.25 0.12 0.00 -0.57 0.00 0.00 43.02 42.20 3ij2 s PHE 53 CO 0.28 -0.36 0.29 0.12 -0.10 0.00 0.00 175.22 175.45 3ij2 s PHE 54 N -3.07 3.52 0.02 0.36 5.36 -1.26 0.06 117.98 122.97 3ij2 s PHE 54 Ca -0.01 -2.25 -0.11 0.00 -0.96 0.00 0.00 56.93 53.60 3ij2 s PHE 54 Cb 0.02 -3.33 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 3ij2 s PHE 54 CO -0.07 -0.97 0.36 -1.21 -1.46 0.00 0.00 175.22 171.88 3ij2 s GLU 55 N 1.07 3.76 -0.02 10.12 2.02 -0.71 -4.71 118.70 130.23 3ij2 s GLU 55 Ca 0.08 0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.29 3ij2 s GLU 55 Cb -0.23 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 30.90 3ij2 s GLU 55 CO -0.03 0.64 -0.05 0.99 0.02 0.00 0.00 175.26 176.83 3ij2 s THR 56 N -1.24 0.49 0.32 3.63 2.01 -1.02 -0.71 115.64 119.12 3ij2 s THR 56 Ca 0.27 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.17 3ij2 s THR 56 Cb -0.15 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 3ij2 s THR 56 CO 0.15 0.18 0.27 0.29 -0.69 0.00 0.00 174.62 174.81 3ij2 n LYS 57 N 3.51 0.40 -3.13 4.92 5.02 -0.94 -2.88 118.16 125.05 3ij2 n LYS 57 Ca -0.20 -3.19 -0.39 0.00 -2.02 0.00 0.00 58.31 52.51 3ij2 n LYS 57 Cb 0.54 2.60 -0.05 0.00 -0.02 0.00 0.00 35.03 38.10 3ij2 n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ij2 h ARG 59 N 5.84 0.25 -2.04 0.00 2.43 -1.75 -3.46 114.38 115.65 3ij2 h ARG 59 Ca -0.44 -0.01 0.23 0.00 -0.81 0.00 0.00 59.98 58.95 3ij2 h ARG 59 Cb 1.20 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.61 3ij2 h ARG 59 CO 0.71 0.16 0.63 0.00 -1.51 0.00 0.00 179.97 179.96 3ij2 s ALA 60 N -6.03 -1.88 0.02 2.80 0.00 -1.26 -5.05 121.76 110.35 3ij2 s ALA 60 Ca -0.13 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 3ij2 s ALA 60 Cb 0.22 0.56 -0.16 0.00 0.00 0.00 0.00 23.12 23.74 3ij2 s ALA 60 CO 0.76 -1.05 1.25 0.77 0.00 0.00 0.00 175.76 177.48 3ij2 h SER 61 N 2.00 -0.49 -3.87 0.00 0.02 -1.89 -3.40 113.55 105.92 3ij2 h SER 61 Ca -0.27 -0.10 -0.69 0.00 -0.84 0.00 0.00 61.79 59.90 3ij2 h SER 61 Cb 1.22 0.13 -0.36 0.00 0.14 0.00 0.00 62.40 63.52 3ij2 h SER 61 CO 0.28 -0.15 -0.33 0.20 -1.14 0.00 0.00 176.83 175.69 3ij2 s ASN 62 N -4.86 5.34 0.00 3.07 -0.87 -1.26 -1.27 114.94 115.08 3ij2 s ASN 62 Ca -0.14 -3.21 0.02 0.00 -1.57 0.00 0.00 52.86 47.96 3ij2 s ASN 62 Cb 0.02 -1.83 0.10 0.00 -0.02 0.00 0.00 41.25 39.52 3ij2 s ASN 62 CO 0.52 -0.28 1.02 -0.81 -2.57 0.00 0.00 177.10 174.99 3ij2 n PRO 63 N 2.98 0.01 -4.10 -0.60 -0.04 -1.17 -4.57 135.00 127.51 3ij2 n PRO 63 Ca 0.13 0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.91 3ij2 n PRO 63 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 3ij2 n PRO 63 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ij2 s VAL 64 N -2.89 0.15 0.50 0.52 1.01 -0.58 -4.92 120.40 114.18 3ij2 s VAL 64 Ca 0.01 -1.80 0.15 0.00 0.00 0.00 0.00 61.98 60.34 3ij2 s VAL 64 Cb 0.02 -1.80 0.28 0.00 0.00 0.00 0.00 36.38 34.87 3ij2 s VAL 64 CO 0.04 -0.66 2.13 -0.33 0.00 0.00 0.00 175.10 176.28 3ij2 h GLU 65 N 2.94 0.10 0.00 2.72 3.07 -1.95 -0.42 114.58 121.05 3ij2 h GLU 65 Ca -0.34 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3ij2 h GLU 65 Cb 1.18 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3ij2 h GLU 65 CO 0.61 0.07 -0.02 0.66 -1.40 0.00 0.00 179.01 178.92 3ij2 h SER 66 N 0.10 0.00 0.00 1.42 4.64 -1.95 -3.50 113.55 114.26 3ij2 h SER 66 Ca 0.04 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ij2 h SER 66 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ij2 h SER 66 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3ij2 n GLY 67 N 1.20 0.24 3.69 -0.77 0.00 -0.17 -3.91 105.19 105.48 3ij2 n GLY 67 Ca 0.05 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3ij2 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij2 s ARG 69 N -4.76 3.24 0.00 0.00 3.52 -0.15 -3.94 118.95 116.87 3ij2 s ARG 69 Ca 0.65 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 3ij2 s ARG 69 Cb -0.20 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.04 3ij2 s ARG 69 CO 0.58 -2.05 0.00 0.41 -0.81 0.00 0.00 175.30 173.42 3ij2 n GLY 70 N 5.31 1.12 3.86 8.12 0.00 -1.26 -4.60 105.19 117.75 3ij2 n GLY 70 Ca 0.07 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3ij2 n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ij2 s ILE 71 N -2.00 1.98 -1.06 -0.61 -0.00 -1.25 -4.94 121.20 113.32 3ij2 s ILE 71 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 60.65 60.44 3ij2 s ILE 71 Cb 0.00 -2.91 0.07 0.00 -0.00 0.00 0.00 42.46 39.62 3ij2 s ILE 71 CO 0.00 0.00 1.46 -0.62 -0.00 0.00 0.00 174.94 175.78 3ij2 s ASP 72 N -4.45 6.59 0.27 4.36 -1.08 -1.26 -4.80 116.67 116.30 3ij2 s ASP 72 Ca 0.65 -1.74 0.20 0.00 -0.52 0.00 0.00 52.55 51.14 3ij2 s ASP 72 Cb -0.11 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.82 3ij2 s ASP 72 CO 0.51 -1.38 1.61 -1.54 0.52 0.00 0.00 175.17 174.90 3ij2 n SER 73 N 8.43 0.52 0.17 -0.34 3.41 -1.26 -1.91 113.62 122.64 3ij2 n SER 73 Ca 0.35 0.71 0.05 0.00 -0.26 0.00 0.00 58.87 59.72 3ij2 n SER 73 Cb 0.50 -0.79 0.20 0.00 -0.26 0.00 0.00 64.21 63.86 3ij2 n SER 73 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ij2 h LYS 74 N 0.00 0.00 0.00 4.33 3.64 -2.00 -3.35 116.57 119.19 3ij2 h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ij2 h LYS 74 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3ij2 h LYS 74 CO 0.00 0.40 -0.76 0.72 -2.27 0.00 0.00 179.45 177.54 3ij2 n HIS 75 N -3.33 0.00 -4.91 1.91 8.25 -0.80 -4.97 115.22 111.37 3ij2 n HIS 75 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 3ij2 n HIS 75 Cb 0.61 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.56 3ij2 n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ij2 s TRP 76 N -1.73 1.71 0.14 4.41 0.52 -0.88 -1.18 118.94 121.93 3ij2 s TRP 76 Ca 0.00 -0.36 -0.03 0.00 0.02 0.00 0.00 56.10 55.73 3ij2 s TRP 76 Cb 0.00 -1.11 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 3ij2 s TRP 76 CO 0.00 -0.06 0.35 -0.80 0.02 0.00 0.00 176.95 176.46 3ij2 s ASN 77 N -0.34 6.44 0.05 2.95 0.01 0.27 -4.37 114.94 119.95 3ij2 s ASN 77 Ca 0.05 0.48 -0.06 0.00 -0.71 0.00 0.00 52.86 52.62 3ij2 s ASN 77 Cb -0.08 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.52 3ij2 s ASN 77 CO -0.00 0.05 0.11 -0.94 -1.51 0.00 0.00 177.10 174.81 3ij2 s SER 78 N -2.64 0.20 -0.27 -1.22 1.04 -1.25 -0.83 113.70 108.72 3ij2 s SER 78 Ca 0.39 -0.62 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 3ij2 s SER 78 Cb -0.12 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.33 3ij2 s SER 78 CO 0.26 -0.58 0.72 -0.72 0.98 0.00 0.00 173.24 173.90 3ij2 s TYR 79 N -3.12 -0.90 0.06 5.02 1.13 -1.20 -4.11 117.35 114.24 3ij2 s TYR 79 Ca -0.01 1.99 -0.23 0.00 -1.41 0.00 0.00 57.07 57.42 3ij2 s TYR 79 Cb 0.02 0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 41.24 3ij2 s TYR 79 CO -0.07 -0.44 0.69 0.00 -2.51 0.00 0.00 175.55 173.22 3ij2 s THR 81 N -0.48 0.83 -0.07 0.00 2.01 -0.66 -4.50 115.64 112.77 3ij2 s THR 81 Ca 0.34 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.31 3ij2 s THR 81 Cb -0.20 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 3ij2 s THR 81 CO 0.21 0.00 0.11 -0.89 -0.69 0.00 0.00 174.62 173.36 3ij2 s THR 82 N -3.37 5.10 -0.11 -0.82 2.01 -1.26 -1.10 115.64 116.08 3ij2 s THR 82 Ca 0.33 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 3ij2 s THR 82 Cb 0.06 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 3ij2 s THR 82 CO 0.15 0.51 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.62 3ij2 s THR 83 N -1.08 3.54 0.34 -0.82 2.01 0.13 -4.95 115.64 114.80 3ij2 s THR 83 Ca 0.18 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.74 3ij2 s THR 83 Cb -0.12 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 3ij2 s THR 83 CO 0.08 0.54 0.48 -1.00 -0.69 0.00 0.00 174.62 174.03 3ij2 s HIS 84 N -0.13 3.15 0.29 4.92 3.76 -1.26 -0.28 115.29 125.74 3ij2 s HIS 84 Ca 0.01 -0.17 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 3ij2 s HIS 84 Cb -0.13 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.57 3ij2 s HIS 84 CO 0.03 -0.01 0.53 -0.08 -0.85 0.00 0.00 174.74 174.36 3ij2 s THR 85 N -2.19 0.00 -0.00 1.30 -1.32 -0.95 -4.83 115.64 107.65 3ij2 s THR 85 Ca 0.44 -1.38 0.06 0.00 -1.21 0.00 0.00 61.69 59.60 3ij2 s THR 85 Cb -0.10 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.49 3ij2 s THR 85 CO 0.31 0.00 -0.20 -0.36 -2.21 0.00 0.00 174.62 172.17 3ij2 s PHE 86 N -3.56 1.75 0.03 9.09 0.08 -1.26 -1.53 117.98 122.59 3ij2 s PHE 86 Ca 0.23 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 56.99 3ij2 s PHE 86 Cb -0.01 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 3ij2 s PHE 86 CO 0.12 -0.00 -0.15 0.08 -0.10 0.00 0.00 175.22 175.17 3ij2 s VAL 87 N -0.54 1.17 -0.08 -0.44 1.01 -0.95 -4.89 120.40 115.68 3ij2 s VAL 87 Ca 0.07 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3ij2 s VAL 87 Cb -0.08 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3ij2 s VAL 87 CO -0.00 0.06 1.01 -0.75 0.00 0.00 0.00 175.10 175.41 3ij2 s LYS 88 N -1.06 4.45 0.25 2.72 2.20 -1.26 -0.90 119.74 126.14 3ij2 s LYS 88 Ca 0.03 1.40 -0.16 0.00 -0.36 0.00 0.00 55.97 56.88 3ij2 s LYS 88 Cb -0.08 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 3ij2 s LYS 88 CO 0.01 -0.26 0.56 0.00 -0.36 0.00 0.00 175.35 175.30 3ij2 s ALA 89 N 1.81 -0.64 -0.26 3.13 0.00 -0.63 -4.99 121.76 120.18 3ij2 s ALA 89 Ca 0.49 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 3ij2 s ALA 89 Cb -0.19 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3ij2 s ALA 89 CO 0.20 -0.91 0.67 -1.17 0.00 0.00 0.00 175.76 174.55 3ij2 s LEU 90 N -2.97 4.07 0.52 0.00 2.96 -1.26 -1.59 118.68 120.41 3ij2 s LEU 90 Ca 0.17 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3ij2 s LEU 90 Cb -0.02 -2.91 0.01 0.00 0.50 0.00 0.00 46.19 43.76 3ij2 s LEU 90 CO 0.07 -0.41 0.14 0.42 -1.32 0.00 0.00 176.35 175.25 3ij2 s THR 91 N 2.58 1.32 -0.22 3.68 -4.23 0.02 -3.77 115.64 115.02 3ij2 s THR 91 Ca 0.28 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3ij2 s THR 91 Cb -0.15 -2.15 0.10 0.00 1.34 0.00 0.00 72.50 71.64 3ij2 s THR 91 CO 0.09 0.00 0.25 0.28 -0.54 0.00 0.00 174.62 174.70 3ij2 s THR 92 N -2.84 -0.37 -0.78 3.99 -1.32 0.28 -2.43 115.64 112.16 3ij2 s THR 92 Ca 0.15 -0.15 -0.16 0.00 -1.21 0.00 0.00 61.69 60.31 3ij2 s THR 92 Cb 0.00 -0.74 0.17 0.00 -1.51 0.00 0.00 72.50 70.42 3ij2 s THR 92 CO 0.09 -0.23 0.82 -0.62 -2.21 0.00 0.00 174.62 172.47 3ij2 s ASP 93 N 2.36 6.56 1.54 8.08 2.15 0.13 -3.70 116.67 133.79 3ij2 s ASP 93 Ca 0.08 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 50.86 3ij2 s ASP 93 Cb -0.16 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3ij2 s ASP 93 CO -0.15 -0.82 0.00 -0.62 -0.17 0.00 0.00 175.17 173.41 3ij2 n GLU 94 N 5.17 0.00 -0.07 4.34 1.02 -1.26 -3.01 120.64 126.83 3ij2 n GLU 94 Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 3ij2 n GLU 94 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.82 3ij2 n GLU 94 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ij2 h LYS 95 N 0.00 0.47 -6.55 3.49 1.57 -2.04 -3.44 116.57 110.06 3ij2 h LYS 95 Ca 0.00 -0.24 -0.52 0.00 -1.87 0.00 0.00 60.65 58.01 3ij2 h LYS 95 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3ij2 h LYS 95 CO 0.00 0.82 0.21 -0.65 -0.57 0.00 0.00 179.45 179.26 3ij2 s GLN 96 N -4.33 4.62 -0.17 3.15 1.11 -1.16 -5.06 119.66 117.81 3ij2 s GLN 96 Ca -0.14 1.22 -0.03 0.00 0.01 0.00 0.00 55.36 56.42 3ij2 s GLN 96 Cb 0.06 -3.27 0.06 0.00 -1.01 0.00 0.00 33.01 28.85 3ij2 s GLN 96 CO 0.78 0.55 0.04 0.00 0.01 0.00 0.00 175.29 176.67 3ij2 s ALA 97 N -1.10 0.84 0.31 6.09 0.00 -1.26 -0.69 121.76 125.94 3ij2 s ALA 97 Ca 0.37 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.84 3ij2 s ALA 97 Cb -0.24 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3ij2 s ALA 97 CO 0.27 -1.07 0.14 0.00 0.00 0.00 0.00 175.76 175.10 3ij2 n ALA 98 N 5.11 0.48 -2.34 0.00 0.00 -1.02 -4.91 120.51 117.82 3ij2 n ALA 98 Ca -0.08 -1.63 -0.41 0.00 0.00 0.00 0.00 53.44 51.32 3ij2 n ALA 98 Cb 0.48 1.14 -0.04 0.00 0.00 0.00 0.00 19.45 21.03 3ij2 n ALA 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ij2 s TRP 99 N -2.82 3.67 0.18 0.00 0.52 -1.26 -0.80 118.94 118.43 3ij2 s TRP 99 Ca 0.19 1.65 -0.07 0.00 0.02 0.00 0.00 56.10 57.90 3ij2 s TRP 99 Cb 0.01 -3.18 -0.02 0.00 -1.15 0.00 0.00 33.47 29.13 3ij2 s TRP 99 CO 0.14 -0.27 0.25 1.03 0.02 0.00 0.00 176.95 178.12 3ij2 s ARG 100 N 0.31 1.21 -0.23 4.98 0.52 -0.62 -4.91 118.95 120.20 3ij2 s ARG 100 Ca 0.50 -1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 54.26 3ij2 s ARG 100 Cb -0.25 0.35 -0.05 0.00 0.52 0.00 0.00 34.95 35.52 3ij2 s ARG 100 CO 0.31 -0.43 0.23 -0.06 0.02 0.00 0.00 175.30 175.36 3ij2 s PHE 101 N -4.03 3.32 -0.03 -0.53 0.08 -1.25 -1.61 117.98 113.93 3ij2 s PHE 101 Ca 0.24 0.33 0.05 0.00 0.12 0.00 0.00 56.93 57.67 3ij2 s PHE 101 Cb 0.04 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 3ij2 s PHE 101 CO 0.05 0.02 -0.17 0.96 -0.10 0.00 0.00 175.22 175.97 3ij2 s ILE 102 N 1.22 2.81 -1.12 0.64 -4.36 -0.08 0.11 121.20 120.42 3ij2 s ILE 102 Ca 0.11 -0.87 -0.18 0.00 -0.26 0.00 0.00 60.65 59.45 3ij2 s ILE 102 Cb -0.14 -2.09 0.11 0.00 1.25 0.00 0.00 42.46 41.59 3ij2 s ILE 102 CO 0.06 0.55 1.43 -0.60 0.24 0.00 0.00 174.94 176.63 3ij2 s ARG 103 N -0.81 3.84 0.00 0.37 3.52 -0.98 -2.24 118.95 122.66 3ij2 s ARG 103 Ca 0.12 -1.93 -0.19 0.00 -0.13 0.00 0.00 55.73 53.60 3ij2 s ARG 103 Cb -0.10 -5.20 -0.06 0.00 -1.56 0.00 0.00 34.95 28.02 3ij2 s ARG 103 CO 0.01 -1.98 0.53 0.96 -0.81 0.00 0.00 175.30 174.01 3ij2 s ILE 104 N 3.22 4.92 0.57 4.11 -4.36 -0.58 -4.75 121.20 124.33 3ij2 s ILE 104 Ca 0.44 1.11 -0.21 0.00 -0.26 0.00 0.00 60.65 61.73 3ij2 s ILE 104 Cb -0.01 -3.86 -0.04 0.00 1.25 0.00 0.00 42.46 39.80 3ij2 s ILE 104 CO -0.03 0.48 1.29 0.47 0.24 0.00 0.00 174.94 177.40 3ij2 n ASP 105 N 2.37 2.30 0.00 4.36 10.43 -1.26 -2.23 116.55 132.51 3ij2 n ASP 105 Ca -0.09 0.93 0.00 0.00 2.57 0.00 0.00 54.79 58.19 3ij2 n ASP 105 Cb 0.51 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.93 3ij2 n ASP 105 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3ij2 n THR 106 N -1.31 0.00 -3.76 -3.53 5.66 0.62 -2.42 114.28 109.53 3ij2 n THR 106 Ca 0.12 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.09 3ij2 n THR 106 Cb 0.46 0.24 -0.01 0.00 -1.55 0.00 0.00 70.33 69.47 3ij2 n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ij2 s ALA 107 N 0.00 -1.71 -0.16 1.79 0.00 -1.10 -4.53 121.76 116.05 3ij2 s ALA 107 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 3ij2 s ALA 107 Cb 0.00 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.79 3ij2 s ALA 107 CO 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 175.76 174.66 3ij2 s VAL 109 N 1.68 1.12 0.38 0.00 0.11 -0.26 -4.66 120.40 118.76 3ij2 s VAL 109 Ca 0.01 -0.88 -0.22 0.00 -2.93 0.00 0.00 61.98 57.96 3ij2 s VAL 109 Cb -0.15 -0.99 -0.10 0.00 -1.53 0.00 0.00 36.38 33.61 3ij2 s VAL 109 CO -0.08 0.11 0.92 0.00 -3.33 0.00 0.00 175.10 172.72 3ij2 s VAL 111 N -1.94 1.05 0.62 0.00 1.01 -0.92 -4.95 120.40 115.27 3ij2 s VAL 111 Ca 0.57 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 3ij2 s VAL 111 Cb -0.13 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3ij2 s VAL 111 CO 0.17 0.14 0.95 -0.76 0.00 0.00 0.00 175.10 175.60 3ij2 s LEU 112 N 1.66 3.12 -0.15 3.92 1.43 -1.26 -3.26 118.68 124.15 3ij2 s LEU 112 Ca 0.01 0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 3ij2 s LEU 112 Cb -0.15 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.57 3ij2 s LEU 112 CO -0.08 -1.18 0.57 -0.94 0.23 0.00 0.00 176.35 174.96 3ij2 s SER 113 N -4.34 -0.57 0.79 2.29 1.04 -0.01 -4.96 113.70 107.94 3ij2 s SER 113 Ca 0.55 0.91 -0.10 0.00 0.48 0.00 0.00 55.95 57.79 3ij2 s SER 113 Cb -0.11 0.90 0.09 0.00 0.10 0.00 0.00 66.02 67.01 3ij2 s SER 113 CO 0.46 -0.35 1.14 -0.13 0.98 0.00 0.00 173.24 175.34 3ij2 s ARG 114 N -0.31 1.88 -0.07 4.02 0.52 -1.26 -0.56 118.95 123.16 3ij2 s ARG 114 Ca -0.05 -0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 3ij2 s ARG 114 Cb -0.03 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3ij2 s ARG 114 CO 0.04 -1.57 0.01 0.15 0.02 0.00 0.00 175.30 173.94 3ij2 s LYS 115 N -5.49 2.95 0.46 3.54 1.02 -0.33 -4.71 119.74 117.19 3ij2 s LYS 115 Ca 0.63 -0.44 -0.21 0.00 0.02 0.00 0.00 55.97 55.96 3ij2 s LYS 115 Cb -0.10 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.35 3ij2 s LYS 115 CO 0.48 0.69 1.06 0.00 -0.92 0.00 0.00 175.35 176.65 3ij2 s ALA 116 N -0.93 2.93 0.00 5.17 0.00 -1.26 -5.03 121.76 122.64 3ij2 s ALA 116 Ca 0.15 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3ij2 s ALA 116 Cb -0.11 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3ij2 s ALA 116 CO 0.04 -0.33 0.00 0.25 0.00 0.00 0.00 175.76 175.72