#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ji3 s GLU 3 N 0.00 1.50 0.30 0.54 2.02 -1.26 -3.71 118.70 118.09 2ji3 s GLU 3 Ca 0.00 -1.51 -0.28 0.00 0.02 0.00 0.00 54.97 53.20 2ji3 s GLU 3 Cb 0.00 -1.84 -0.14 0.00 0.10 0.00 0.00 34.13 32.26 2ji3 s GLU 3 CO 0.00 0.40 1.08 -2.13 0.02 0.00 0.00 175.26 174.63 2ji3 n ARG 4 N 0.31 1.54 0.00 1.61 0.63 -1.26 -1.90 116.66 117.58 2ji3 n ARG 4 Ca -0.13 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 2ji3 n ARG 4 Cb 0.56 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.51 2ji3 n ARG 4 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ji3 n LEU 5 N 1.13 0.00 -4.76 6.15 4.77 -0.17 -4.95 117.00 119.17 2ji3 n LEU 5 Ca 0.08 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 2ji3 n LEU 5 Cb 0.33 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2ji3 n LEU 5 CO 0.61 0.00 0.85 -1.10 -1.33 0.00 0.00 177.39 176.41 2ji3 s GLN 6 N -0.17 3.11 -0.13 3.23 -0.21 -0.80 -4.71 119.66 119.97 2ji3 s GLN 6 Ca 0.00 1.84 0.01 0.00 0.02 0.00 0.00 55.36 57.23 2ji3 s GLN 6 Cb 0.00 -2.02 -0.01 0.00 1.00 0.00 0.00 33.01 31.99 2ji3 s GLN 6 CO 0.00 -1.10 -0.17 0.08 -2.12 0.00 0.00 175.29 171.98 2ji3 s VAL 7 N -1.58 2.64 0.05 1.09 1.01 -1.26 -1.52 120.40 120.83 2ji3 s VAL 7 Ca 0.75 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 62.02 2ji3 s VAL 7 Cb -0.30 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2ji3 s VAL 7 CO 0.34 0.53 -0.26 -0.31 0.00 0.00 0.00 175.10 175.40 2ji3 s TYR 8 N 0.52 2.29 0.02 5.22 1.51 -0.09 0.12 117.35 126.93 2ji3 s TYR 8 Ca -0.11 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 2ji3 s TYR 8 Cb -0.16 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2ji3 s TYR 8 CO 0.04 0.12 -0.16 0.21 -1.11 0.00 0.00 175.55 174.66 2ji3 s LYS 9 N -1.23 1.14 -0.39 -0.62 2.20 0.32 -0.73 119.74 120.43 2ji3 s LYS 9 Ca 0.11 -0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 54.83 2ji3 s LYS 9 Cb -0.10 -1.15 0.01 0.00 -1.51 0.00 0.00 37.83 35.08 2ji3 s LYS 9 CO 0.02 0.30 0.53 0.00 -0.36 0.00 0.00 175.35 175.84 2ji3 n GLU 11 N 5.84 0.24 -0.11 0.00 1.02 -1.26 -0.63 120.64 125.74 2ji3 n GLU 11 Ca -0.05 0.13 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 2ji3 n GLU 11 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.32 2ji3 n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ji3 n VAL 12 N -1.26 1.51 0.67 2.62 0.31 -1.26 -4.70 118.33 116.22 2ji3 n VAL 12 Ca 0.08 -0.10 0.08 0.00 -0.01 0.00 0.00 64.34 64.38 2ji3 n VAL 12 Cb 0.12 -2.08 -0.10 0.00 -0.91 0.00 0.00 33.84 30.87 2ji3 n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ji3 n GLY 14 N 1.41 0.73 3.76 0.00 0.00 0.19 -5.04 105.19 106.24 2ji3 n GLY 14 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2ji3 n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ji3 s ASN 15 N -2.76 6.37 -0.07 1.61 0.01 -1.25 -4.71 114.94 114.15 2ji3 s ASN 15 Ca 0.00 2.98 0.01 0.00 -0.71 0.00 0.00 52.86 55.15 2ji3 s ASN 15 Cb 0.00 -2.65 0.02 0.00 0.41 0.00 0.00 41.25 39.03 2ji3 s ASN 15 CO 0.00 -0.89 -0.08 -0.63 -1.51 0.00 0.00 177.10 173.99 2ji3 s ILE 16 N -0.46 0.88 0.15 0.60 1.01 -1.26 -0.42 121.20 121.70 2ji3 s ILE 16 Ca 0.59 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.98 2ji3 s ILE 16 Cb -0.47 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2ji3 s ILE 16 CO 0.54 0.31 -0.10 0.68 0.00 0.00 0.00 174.94 176.36 2ji3 s VAL 17 N 0.96 1.19 -0.04 2.92 -7.23 0.10 -4.98 120.40 113.31 2ji3 s VAL 17 Ca -0.10 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.07 2ji3 s VAL 17 Cb -0.15 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 2ji3 s VAL 17 CO 0.00 -0.74 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.11 2ji3 s GLU 18 N -3.74 2.29 0.06 4.82 2.12 -1.26 -0.92 118.70 122.06 2ji3 s GLU 18 Ca 0.17 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 2ji3 s GLU 18 Cb 0.02 -2.03 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 2ji3 s GLU 18 CO 0.01 0.43 1.12 0.08 -0.54 0.00 0.00 175.26 176.36 2ji3 s VAL 19 N -0.30 4.26 -0.14 3.70 1.01 -0.57 -4.92 120.40 123.43 2ji3 s VAL 19 Ca 0.01 1.66 0.09 0.00 0.00 0.00 0.00 61.98 63.74 2ji3 s VAL 19 Cb -0.12 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 2ji3 s VAL 19 CO 0.02 0.15 0.00 0.18 0.00 0.00 0.00 175.10 175.44 2ji3 n LEU 20 N 3.75 0.69 -3.73 3.92 4.77 -1.26 -1.00 117.00 124.14 2ji3 n LEU 20 Ca 0.07 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2ji3 n LEU 20 Cb 0.48 0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 2ji3 n LEU 20 CO 0.54 0.44 -0.19 0.21 -1.33 0.00 0.00 177.39 177.06 2ji3 s ASN 21 N -4.89 -0.09 0.26 -1.43 2.47 -1.26 -4.82 114.94 105.18 2ji3 s ASN 21 Ca -0.10 0.39 -0.09 0.00 0.42 0.00 0.00 52.86 53.48 2ji3 s ASN 21 Cb 0.04 0.29 -0.07 0.00 -1.45 0.00 0.00 41.25 40.07 2ji3 s ASN 21 CO 0.51 -0.17 0.58 -0.83 -3.72 0.00 0.00 177.10 173.48 2ji3 s GLY 22 N 1.33 2.19 0.21 1.21 0.00 -1.26 -4.88 107.32 106.12 2ji3 s GLY 22 Ca -0.08 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.37 2ji3 s GLY 22 CO -0.07 -0.15 0.24 0.61 0.00 0.00 0.00 173.10 173.73 2ji3 n GLY 23 N -0.36 2.94 0.14 0.20 0.00 -1.24 -5.01 105.19 101.85 2ji3 n GLY 23 Ca 0.00 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.47 2ji3 n GLY 23 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2ji3 h ILE 24 N 1.65 0.00 -4.26 -0.61 3.07 -1.99 -3.19 117.51 112.18 2ji3 h ILE 24 Ca -0.16 -0.96 -0.50 0.00 1.55 0.00 0.00 64.86 64.80 2ji3 h ILE 24 Cb 0.74 1.61 0.08 0.00 -0.27 0.00 0.00 36.82 38.97 2ji3 h ILE 24 CO 0.22 0.00 0.37 -0.83 -1.05 0.00 0.00 178.15 176.86 2ji3 s GLY 25 N -4.26 1.90 -0.03 0.16 0.00 -1.26 -4.82 107.32 99.01 2ji3 s GLY 25 Ca 0.02 0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.81 2ji3 s GLY 25 CO 0.75 0.54 0.45 -0.54 0.00 0.00 0.00 173.10 174.30 2ji3 s GLU 26 N -4.54 4.10 0.04 2.90 8.01 -1.26 -4.36 118.70 123.59 2ji3 s GLU 26 Ca 0.61 0.45 -0.30 0.00 0.01 0.00 0.00 54.97 55.74 2ji3 s GLU 26 Cb -0.15 -3.30 -0.05 0.00 -4.31 0.00 0.00 34.13 26.32 2ji3 s GLU 26 CO 0.45 0.50 1.21 -0.51 0.01 0.00 0.00 175.26 176.92 2ji3 s LEU 27 N -0.50 4.36 0.02 1.80 1.43 -1.26 -4.97 118.68 119.55 2ji3 s LEU 27 Ca 0.25 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 2ji3 s LEU 27 Cb -0.16 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 2ji3 s LEU 27 CO 0.13 -0.50 -0.22 -0.69 0.23 0.00 0.00 176.35 175.31 2ji3 s VAL 28 N 1.26 1.73 -0.14 -1.59 1.01 -1.26 -0.40 120.40 121.01 2ji3 s VAL 28 Ca 0.59 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 2ji3 s VAL 28 Cb -0.29 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2ji3 s VAL 28 CO 0.28 0.32 0.40 0.00 0.00 0.00 0.00 175.10 176.10 2ji3 n ASN 31 N -2.91 -0.98 -3.58 0.00 5.15 -1.26 -4.98 115.26 106.70 2ji3 n ASN 31 Ca -0.20 -1.04 -0.13 0.00 -0.60 0.00 0.00 54.58 52.61 2ji3 n ASN 31 Cb 0.63 -2.80 -0.06 0.00 -0.53 0.00 0.00 39.78 37.02 2ji3 n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ji3 s GLN 32 N -6.76 0.77 0.20 1.20 -2.07 -0.86 -5.13 119.66 107.01 2ji3 s GLN 32 Ca 0.20 0.41 -0.33 0.00 -1.82 0.00 0.00 55.36 53.83 2ji3 s GLN 32 Cb -0.11 0.37 -0.13 0.00 -1.09 0.00 0.00 33.01 32.04 2ji3 s GLN 32 CO 0.91 -0.20 1.57 -0.25 -1.32 0.00 0.00 175.29 176.01 2ji3 n ASP 33 N 1.40 3.25 -4.76 12.60 8.00 -1.26 -1.70 116.55 134.08 2ji3 n ASP 33 Ca -0.14 1.10 -0.37 0.00 0.71 0.00 0.00 54.79 56.08 2ji3 n ASP 33 Cb 0.57 -1.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.21 2ji3 n ASP 33 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ji3 s MET 34 N 0.57 3.43 -0.10 -1.24 -1.94 0.47 -4.87 119.30 115.61 2ji3 s MET 34 Ca 0.75 1.90 -0.21 0.00 -1.71 0.00 0.00 55.69 56.42 2ji3 s MET 34 Cb -0.63 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 2ji3 s MET 34 CO 0.40 -0.86 0.60 0.21 -0.01 0.00 0.00 175.02 175.36 2ji3 s LYS 35 N -2.90 4.37 -0.01 2.03 2.20 0.33 -4.80 119.74 120.97 2ji3 s LYS 35 Ca 0.69 0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 56.66 2ji3 s LYS 35 Cb -0.32 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 2ji3 s LYS 35 CO 0.37 0.07 1.38 -1.17 -0.36 0.00 0.00 175.35 175.64 2ji3 s LEU 36 N 0.85 4.31 -1.12 5.43 2.96 -1.26 -0.52 118.68 129.33 2ji3 s LEU 36 Ca 0.31 2.08 -0.14 0.00 -0.22 0.00 0.00 54.13 56.16 2ji3 s LEU 36 Cb -0.16 -3.56 0.18 0.00 0.50 0.00 0.00 46.19 43.15 2ji3 s LEU 36 CO 0.14 -0.70 1.30 -0.04 -1.32 0.00 0.00 176.35 175.72 2ji3 s MET 37 N 2.38 4.00 0.22 1.98 -1.94 0.12 -4.95 119.30 121.11 2ji3 s MET 37 Ca 0.63 -2.53 -0.31 0.00 -1.71 0.00 0.00 55.69 51.77 2ji3 s MET 37 Cb -0.31 -4.93 -0.10 0.00 2.01 0.00 0.00 34.83 31.51 2ji3 s MET 37 CO 0.26 -1.66 1.51 -1.12 -0.01 0.00 0.00 175.02 174.00 2ji3 s SER 38 N 2.71 6.59 0.35 3.03 0.01 -1.26 -4.70 113.70 120.42 2ji3 s SER 38 Ca 0.38 2.68 -0.28 0.00 1.31 0.00 0.00 55.95 60.04 2ji3 s SER 38 Cb -0.05 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.47 2ji3 s SER 38 CO -0.03 -0.78 1.30 -1.61 0.41 0.00 0.00 173.24 172.52 2ji3 s GLU 39 N 0.24 4.24 -1.21 12.44 8.01 -1.26 -3.83 118.70 137.32 2ji3 s GLU 39 Ca 0.64 2.18 -0.06 0.00 0.01 0.00 0.00 54.97 57.74 2ji3 s GLU 39 Cb -0.43 -2.97 -0.02 0.00 -4.31 0.00 0.00 34.13 26.40 2ji3 s GLU 39 CO 0.39 -0.27 0.78 0.09 0.01 0.00 0.00 175.26 176.25 2ji3 n ASN 40 N 0.58 -3.17 0.00 -0.19 3.02 0.24 -4.90 115.26 110.83 2ji3 n ASN 40 Ca 0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 2ji3 n ASN 40 Cb 0.42 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 2ji3 n ASN 40 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ji3 n THR 41 N -4.05 0.00 -2.20 3.41 -2.24 -1.25 -5.05 114.28 102.91 2ji3 n THR 41 Ca -0.21 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 2ji3 n THR 41 Cb 0.65 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 2ji3 n THR 41 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ji3 s VAL 42 N -1.21 2.91 -1.22 2.28 1.01 -1.26 -4.88 120.40 118.04 2ji3 s VAL 42 Ca 0.00 0.91 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 2ji3 s VAL 42 Cb 0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 2ji3 s VAL 42 CO 0.00 0.21 1.81 -1.81 0.00 0.00 0.00 175.10 175.31 2ji3 s ASP 43 N -0.52 6.00 0.18 3.32 -0.00 -1.26 -4.87 116.67 119.52 2ji3 s ASP 43 Ca 0.48 -1.98 -0.06 0.00 -0.00 0.00 0.00 52.55 51.00 2ji3 s ASP 43 Cb -0.38 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 39.94 2ji3 s ASP 43 CO 0.49 -2.05 0.23 0.00 -0.00 0.00 0.00 175.17 173.84 2ji3 s ALA 44 N 7.34 0.46 0.04 5.23 0.00 -1.26 -5.12 121.76 128.45 2ji3 s ALA 44 Ca 0.60 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 2ji3 s ALA 44 Cb 0.01 1.04 -0.08 0.00 0.00 0.00 0.00 23.12 24.09 2ji3 s ALA 44 CO 0.09 -0.63 1.73 0.00 0.00 0.00 0.00 175.76 176.95 2ji3 s ALA 45 N -4.04 3.66 0.21 0.00 0.00 -1.26 -4.89 121.76 115.44 2ji3 s ALA 45 Ca 0.25 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.43 2ji3 s ALA 45 Cb 0.05 -3.74 0.16 0.00 0.00 0.00 0.00 23.12 19.58 2ji3 s ALA 45 CO 0.05 -1.27 1.50 0.87 0.00 0.00 0.00 175.76 176.91 2ji3 h LYS 46 N 9.06 0.30 0.00 0.00 1.57 -1.97 -2.90 116.57 122.63 2ji3 h LYS 46 Ca -0.43 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2ji3 h LYS 46 Cb 1.20 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2ji3 h LYS 46 CO 0.94 0.85 0.23 0.93 -0.57 0.00 0.00 179.45 181.83 2ji3 h GLU 47 N 0.21 0.00 0.00 3.15 3.07 -1.92 0.25 114.58 119.34 2ji3 h GLU 47 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2ji3 h GLU 47 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2ji3 h GLU 47 CO 0.11 0.00 -0.65 1.63 -1.40 0.00 0.00 179.01 178.69 2ji3 n LYS 48 N -2.80 3.24 -0.03 2.33 5.02 -1.16 -0.78 118.16 123.98 2ji3 n LYS 48 Ca -0.02 -0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.21 2ji3 n LYS 48 Cb 0.28 -0.93 -0.04 0.00 -0.02 0.00 0.00 35.03 34.32 2ji3 n LYS 48 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2ji3 n HIS 49 N -1.35 0.00 -1.89 2.13 8.25 -0.60 -4.00 115.22 117.76 2ji3 n HIS 49 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2ji3 n HIS 49 Cb 0.13 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 2ji3 n HIS 49 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ji3 s VAL 50 N -2.13 2.51 0.29 1.59 1.01 -0.03 -4.78 120.40 118.86 2ji3 s VAL 50 Ca -0.06 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 2ji3 s VAL 50 Cb 0.02 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 2ji3 s VAL 50 CO 0.19 0.03 1.29 -2.84 0.00 0.00 0.00 175.10 173.76 2ji3 s PRO 51 N 1.22 4.40 -0.27 2.72 0.02 -1.26 -4.03 135.00 137.80 2ji3 s PRO 51 Ca 0.71 2.12 -0.07 0.00 0.02 0.00 0.00 61.00 63.79 2ji3 s PRO 51 Cb -0.45 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 30.94 2ji3 s PRO 51 CO 0.31 -0.16 0.07 0.08 -0.33 0.00 0.00 177.00 176.98 2ji3 s VAL 52 N -0.78 4.18 -0.33 3.83 1.01 0.42 -4.64 120.40 124.09 2ji3 s VAL 52 Ca 0.51 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 2ji3 s VAL 52 Cb -0.38 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2ji3 s VAL 52 CO 0.47 0.24 0.58 -0.63 0.00 0.00 0.00 175.10 175.76 2ji3 s ILE 53 N 1.57 4.97 -0.27 2.22 1.01 -1.26 -1.60 121.20 127.84 2ji3 s ILE 53 Ca 0.05 0.61 -0.03 0.00 0.00 0.00 0.00 60.65 61.28 2ji3 s ILE 53 Cb -0.16 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.35 2ji3 s ILE 53 CO 0.03 -0.19 -0.02 -0.70 0.00 0.00 0.00 174.94 174.07 2ji3 s GLU 54 N 2.53 2.85 0.16 2.79 2.12 -0.08 -4.97 118.70 124.09 2ji3 s GLU 54 Ca 0.22 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 2ji3 s GLU 54 Cb -0.15 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 31.05 2ji3 s GLU 54 CO 0.13 -0.44 1.24 0.21 -0.54 0.00 0.00 175.26 175.85 2ji3 s LYS 55 N 1.36 4.45 0.36 4.30 2.20 -1.26 0.16 119.74 131.30 2ji3 s LYS 55 Ca 0.00 1.90 0.05 0.00 -0.36 0.00 0.00 55.97 57.56 2ji3 s LYS 55 Cb -0.17 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2ji3 s LYS 55 CO -0.02 -0.18 0.17 0.44 -0.36 0.00 0.00 175.35 175.40 2ji3 n ILE 56 N 2.95 0.00 -1.80 5.43 -5.35 -0.44 -4.89 119.36 115.26 2ji3 n ILE 56 Ca 0.06 -2.22 -0.43 0.00 -0.27 0.00 0.00 62.75 59.90 2ji3 n ILE 56 Cb 0.44 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 2ji3 n ILE 56 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2ji3 s ASP 57 N -3.27 5.86 0.00 7.28 2.15 -1.26 -2.41 116.67 125.01 2ji3 s ASP 57 Ca 0.24 1.82 0.00 0.00 0.43 0.00 0.00 52.55 55.04 2ji3 s ASP 57 Cb 0.01 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2ji3 s ASP 57 CO 0.17 -1.65 0.00 0.61 -0.17 0.00 0.00 175.17 174.13 2ji3 n GLY 58 N 5.32 0.37 0.00 2.66 0.00 -1.26 -4.89 105.19 107.38 2ji3 n GLY 58 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2ji3 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ji3 n GLY 59 N -1.51 2.92 3.06 -0.02 0.00 -1.01 -1.39 105.19 107.24 2ji3 n GLY 59 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2ji3 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ji3 s TYR 60 N -3.02 0.62 -0.24 1.61 2.02 0.04 -1.33 117.35 117.05 2ji3 s TYR 60 Ca 0.00 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2ji3 s TYR 60 Cb 0.00 -0.38 0.05 0.00 -0.40 0.00 0.00 41.96 41.23 2ji3 s TYR 60 CO 0.00 -0.11 -0.12 0.21 -1.57 0.00 0.00 175.55 173.97 2ji3 s LYS 61 N -1.69 2.27 -0.18 -0.62 2.20 0.12 -1.07 119.74 120.78 2ji3 s LYS 61 Ca -0.10 -1.15 -0.08 0.00 -0.36 0.00 0.00 55.97 54.28 2ji3 s LYS 61 Cb -0.09 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 2ji3 s LYS 61 CO -0.00 -0.49 0.09 0.08 -0.36 0.00 0.00 175.35 174.67 2ji3 s VAL 62 N 1.20 5.07 -0.02 4.02 1.01 0.08 -0.90 120.40 130.87 2ji3 s VAL 62 Ca -0.05 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.05 2ji3 s VAL 62 Cb -0.18 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2ji3 s VAL 62 CO -0.07 0.47 -0.19 -0.54 0.00 0.00 0.00 175.10 174.78 2ji3 s LYS 63 N 0.19 1.56 -0.39 2.72 1.02 -0.63 -0.84 119.74 123.38 2ji3 s LYS 63 Ca 0.06 -0.67 -0.03 0.00 0.02 0.00 0.00 55.97 55.35 2ji3 s LYS 63 Cb -0.12 -1.49 0.10 0.00 -0.52 0.00 0.00 37.83 35.80 2ji3 s LYS 63 CO -0.00 0.39 0.16 0.08 -0.92 0.00 0.00 175.35 175.06 2ji3 s VAL 64 N -0.40 3.26 0.00 3.17 1.01 -0.87 0.16 120.40 126.74 2ji3 s VAL 64 Ca 0.06 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.15 2ji3 s VAL 64 Cb -0.08 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2ji3 s VAL 64 CO -0.00 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.14 2ji3 n GLY 65 N 4.61 5.20 0.36 4.51 0.00 -1.26 -2.16 105.19 116.46 2ji3 n GLY 65 Ca -0.05 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.39 2ji3 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ji3 h ALA 66 N 1.24 1.71 -3.48 4.61 0.00 -1.60 -3.37 119.26 118.37 2ji3 h ALA 66 Ca 0.00 0.05 -0.68 0.00 0.00 0.00 0.00 54.91 54.28 2ji3 h ALA 66 Cb 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.51 2ji3 h ALA 66 CO 0.00 -0.03 -0.66 0.08 0.00 0.00 0.00 179.25 178.64 2ji3 s VAL 67 N -5.81 4.00 -0.06 0.00 1.01 0.04 -5.05 120.40 114.53 2ji3 s VAL 67 Ca -0.11 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2ji3 s VAL 67 Cb 0.24 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 2ji3 s VAL 67 CO 0.80 0.52 1.83 0.00 0.00 0.00 0.00 175.10 178.25 2ji3 s ALA 68 N -0.92 3.45 0.46 5.51 0.00 -1.26 -4.54 121.76 124.47 2ji3 s ALA 68 Ca 0.15 1.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.89 2ji3 s ALA 68 Cb -0.11 -3.84 -0.07 0.00 0.00 0.00 0.00 23.12 19.10 2ji3 s ALA 68 CO 0.05 -1.70 1.13 -1.58 0.00 0.00 0.00 175.76 173.66 2ji3 s HIS 69 N 4.85 2.92 0.66 0.00 5.04 -0.92 -4.90 115.29 122.94 2ji3 s HIS 69 Ca 0.82 1.56 -0.17 0.00 -1.54 0.00 0.00 55.06 55.72 2ji3 s HIS 69 Cb -0.36 -3.30 -0.01 0.00 0.04 0.00 0.00 32.58 28.95 2ji3 s HIS 69 CO 0.35 -1.32 1.15 -2.30 -2.34 0.00 0.00 174.74 170.27 2ji3 n PRO 70 N -0.58 0.88 -2.98 2.88 -0.02 -1.26 -4.70 135.00 129.22 2ji3 n PRO 70 Ca 0.08 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.70 2ji3 n PRO 70 Cb 0.49 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2ji3 n PRO 70 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2ji3 n MET 71 N -1.78 2.03 -2.56 -0.52 2.81 -1.23 -4.04 117.12 111.82 2ji3 n MET 71 Ca 0.15 -4.00 -0.26 0.00 -1.81 0.00 0.00 57.70 51.78 2ji3 n MET 71 Cb 0.48 -1.90 0.02 0.00 -0.71 0.00 0.00 33.22 31.12 2ji3 n MET 71 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2ji3 s GLU 72 N -2.98 3.04 0.24 0.03 0.41 0.41 -1.40 118.70 118.44 2ji3 s GLU 72 Ca 0.43 -0.09 -0.06 0.00 -0.41 0.00 0.00 54.97 54.84 2ji3 s GLU 72 Cb 0.34 -2.35 0.28 0.00 -1.78 0.00 0.00 34.13 30.62 2ji3 s GLU 72 CO -0.10 -0.53 1.89 1.05 -0.49 0.00 0.00 175.26 177.08 2ji3 h GLU 73 N 0.01 1.11 -0.06 1.61 9.09 -1.99 -2.50 114.58 121.85 2ji3 h GLU 73 Ca -0.46 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 58.89 2ji3 h GLU 73 Cb 1.25 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 2ji3 h GLU 73 CO 0.60 0.73 0.00 0.36 0.05 0.00 0.00 179.01 180.75 2ji3 n LYS 74 N -4.51 2.20 -3.23 1.06 0.00 -1.26 -4.84 118.16 107.57 2ji3 n LYS 74 Ca 0.11 -1.75 -0.01 0.00 -0.00 0.00 0.00 58.31 56.67 2ji3 n LYS 74 Cb 0.09 -1.47 -0.03 0.00 -0.00 0.00 0.00 35.03 33.61 2ji3 n LYS 74 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2ji3 s HIS 75 N -1.95 -1.33 0.22 5.58 5.04 -0.94 -4.86 115.29 117.04 2ji3 s HIS 75 Ca 0.31 1.44 -0.22 0.00 -1.54 0.00 0.00 55.06 55.04 2ji3 s HIS 75 Cb 0.20 0.39 0.05 0.00 0.04 0.00 0.00 32.58 33.27 2ji3 s HIS 75 CO 0.31 -0.82 0.90 1.52 -2.34 0.00 0.00 174.74 174.31 2ji3 s TYR 76 N 2.75 -0.08 -0.57 3.88 1.13 -1.25 0.15 117.35 123.37 2ji3 s TYR 76 Ca 0.17 -0.32 -0.22 0.00 -1.41 0.00 0.00 57.07 55.29 2ji3 s TYR 76 Cb -0.15 0.69 0.06 0.00 -1.10 0.00 0.00 41.96 41.46 2ji3 s TYR 76 CO -0.19 -1.03 0.83 0.42 -2.51 0.00 0.00 175.55 173.07 2ji3 s ILE 77 N -3.13 4.55 0.41 -3.49 -1.09 -1.26 -2.36 121.20 114.84 2ji3 s ILE 77 Ca 0.14 -0.22 0.08 0.00 -2.23 0.00 0.00 60.65 58.41 2ji3 s ILE 77 Cb -0.03 -4.50 0.25 0.00 -1.58 0.00 0.00 42.46 36.60 2ji3 s ILE 77 CO 0.05 -1.11 2.04 1.56 -1.23 0.00 0.00 174.94 176.25 2ji3 h GLN 78 N 9.27 0.48 -1.96 2.79 4.20 -1.46 -3.39 115.11 125.04 2ji3 h GLN 78 Ca -0.27 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.47 2ji3 h GLN 78 Cb 1.08 -0.10 -0.19 0.00 0.30 0.00 0.00 27.48 28.57 2ji3 h GLN 78 CO 1.08 0.35 0.46 1.67 -0.67 0.00 0.00 178.83 181.72 2ji3 s TRP 79 N -5.37 -0.41 -0.05 2.96 -2.14 -1.25 -1.21 118.94 111.47 2ji3 s TRP 79 Ca -0.08 0.52 0.07 0.00 2.66 0.00 0.00 56.10 59.27 2ji3 s TRP 79 Cb 0.17 0.48 -0.01 0.00 -3.10 0.00 0.00 33.47 31.01 2ji3 s TRP 79 CO 0.73 -0.48 -0.25 0.42 -2.66 0.00 0.00 176.95 174.71 2ji3 s ILE 80 N -2.02 2.04 0.06 0.66 1.01 -0.38 -2.38 121.20 120.18 2ji3 s ILE 80 Ca -0.00 -1.07 0.06 0.00 0.00 0.00 0.00 60.65 59.64 2ji3 s ILE 80 Cb -0.01 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2ji3 s ILE 80 CO -0.02 0.57 -0.17 -0.70 0.00 0.00 0.00 174.94 174.62 2ji3 s GLU 81 N -0.27 1.03 -0.11 2.79 2.12 0.27 -0.55 118.70 123.98 2ji3 s GLU 81 Ca -0.00 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 54.45 2ji3 s GLU 81 Cb -0.13 -1.11 0.01 0.00 0.26 0.00 0.00 34.13 33.17 2ji3 s GLU 81 CO 0.02 0.27 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.68 2ji3 s LEU 82 N -1.39 1.77 -0.11 2.70 2.96 0.76 0.16 118.68 125.54 2ji3 s LEU 82 Ca 0.03 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2ji3 s LEU 82 Cb -0.09 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 2ji3 s LEU 82 CO 0.02 0.03 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.18 2ji3 s LEU 83 N 0.89 2.69 -0.28 -0.68 1.43 0.19 -1.16 118.68 121.77 2ji3 s LEU 83 Ca -0.08 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2ji3 s LEU 83 Cb -0.15 -1.59 0.14 0.00 0.03 0.00 0.00 46.19 44.62 2ji3 s LEU 83 CO -0.00 0.21 0.59 0.00 0.23 0.00 0.00 176.35 177.38 2ji3 s ALA 84 N 0.06 -1.89 0.00 4.21 0.00 -0.85 -0.56 121.76 122.73 2ji3 s ALA 84 Ca -0.05 2.04 0.00 0.00 0.00 0.00 0.00 51.96 53.95 2ji3 s ALA 84 Cb -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2ji3 s ALA 84 CO 0.04 -1.00 0.00 -0.25 0.00 0.00 0.00 175.76 174.56 2ji3 n ASP 85 N 5.43 0.00 -1.01 0.00 9.92 -1.26 -0.50 116.55 129.13 2ji3 n ASP 85 Ca -0.09 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2ji3 n ASP 85 Cb 0.50 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 41.18 2ji3 n ASP 85 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ji3 n ASP 86 N 10.91 2.67 -4.58 -2.24 8.00 -1.26 -4.99 116.55 125.06 2ji3 n ASP 86 Ca 0.00 -3.60 -0.34 0.00 0.71 0.00 0.00 54.79 51.56 2ji3 n ASP 86 Cb 0.00 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.39 2ji3 n ASP 86 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ji3 s LYS 87 N -3.15 2.71 -0.29 -1.24 1.02 0.34 -5.08 119.74 114.05 2ji3 s LYS 87 Ca 0.43 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.82 2ji3 s LYS 87 Cb 0.38 -2.57 0.10 0.00 -0.52 0.00 0.00 37.83 35.23 2ji3 s LYS 87 CO 0.01 0.65 0.11 0.00 -0.92 0.00 0.00 175.35 175.21 2ji3 s TYR 89 N 1.86 3.21 -0.07 0.00 1.51 -0.31 -4.96 117.35 118.59 2ji3 s TYR 89 Ca 0.09 0.00 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 2ji3 s TYR 89 Cb -0.17 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 2ji3 s TYR 89 CO -0.29 -0.11 -0.17 0.99 -1.11 0.00 0.00 175.55 174.85 2ji3 s THR 90 N 1.37 2.77 -0.30 -0.71 2.01 -1.26 -0.17 115.64 119.35 2ji3 s THR 90 Ca 0.06 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2ji3 s THR 90 Cb -0.15 -2.09 0.08 0.00 0.01 0.00 0.00 72.50 70.36 2ji3 s THR 90 CO 0.06 0.57 0.00 -1.58 -0.69 0.00 0.00 174.62 172.98 2ji3 s GLN 91 N -0.26 1.55 0.24 4.92 2.00 0.29 -5.00 119.66 123.40 2ji3 s GLN 91 Ca 0.01 -1.47 -0.30 0.00 -2.00 0.00 0.00 55.36 51.60 2ji3 s GLN 91 Cb -0.13 -2.84 -0.09 0.00 0.80 0.00 0.00 33.01 30.75 2ji3 s GLN 91 CO 0.03 -0.80 1.03 -0.06 -0.50 0.00 0.00 175.29 174.98 2ji3 s PHE 92 N 1.15 3.76 0.50 1.67 0.08 -1.26 -1.25 117.98 122.62 2ji3 s PHE 92 Ca 0.03 1.79 0.05 0.00 0.12 0.00 0.00 56.93 58.92 2ji3 s PHE 92 Cb -0.19 -3.15 -0.00 0.00 -0.57 0.00 0.00 43.02 39.11 2ji3 s PHE 92 CO -0.10 -0.10 0.24 -0.51 -0.10 0.00 0.00 175.22 174.66 2ji3 s LEU 93 N -1.15 2.74 0.05 -0.37 1.43 -0.35 -4.95 118.68 116.07 2ji3 s LEU 93 Ca 0.44 -1.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 2ji3 s LEU 93 Cb -0.29 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 2ji3 s LEU 93 CO 0.36 -0.87 -0.06 -0.54 0.23 0.00 0.00 176.35 175.46 2ji3 s LYS 94 N -4.07 0.58 0.17 1.70 1.02 -1.26 -4.81 119.74 113.06 2ji3 s LYS 94 Ca 0.29 -0.92 -0.32 0.00 0.02 0.00 0.00 55.97 55.05 2ji3 s LYS 94 Cb 0.00 -0.16 -0.11 0.00 -0.52 0.00 0.00 37.83 37.04 2ji3 s LYS 94 CO 0.17 0.00 1.68 -2.14 -0.92 0.00 0.00 175.35 174.14 2ji3 s PRO 95 N -2.33 4.16 0.00 -1.68 0.02 -1.26 -1.66 135.00 132.25 2ji3 s PRO 95 Ca -0.04 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2ji3 s PRO 95 Cb -0.05 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2ji3 s PRO 95 CO -0.02 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2ji3 n GLY 96 N 3.94 0.55 3.98 0.52 0.00 -0.50 -4.95 105.19 108.73 2ji3 n GLY 96 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2ji3 n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ji3 s GLN 97 N -0.66 3.13 0.19 1.61 -0.21 -0.67 -5.07 119.66 117.99 2ji3 s GLN 97 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.36 54.16 2ji3 s GLN 97 Cb 0.00 -2.79 -0.08 0.00 1.00 0.00 0.00 33.01 31.14 2ji3 s GLN 97 CO 0.00 0.04 1.15 0.00 -2.12 0.00 0.00 175.29 174.36 2ji3 s ALA 98 N -2.21 3.40 -0.88 6.09 0.00 -1.26 -4.82 121.76 122.08 2ji3 s ALA 98 Ca 0.45 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 2ji3 s ALA 98 Cb -0.10 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2ji3 s ALA 98 CO 0.32 -0.29 2.04 -0.35 0.00 0.00 0.00 175.76 177.49 2ji3 n PRO 99 N 2.38 1.89 -3.77 0.00 -0.04 -1.26 -4.79 135.00 129.41 2ji3 n PRO 99 Ca 0.03 -1.64 -0.09 0.00 -0.04 0.00 0.00 63.50 61.76 2ji3 n PRO 99 Cb 0.45 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 2ji3 n PRO 99 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ji3 s GLU 100 N 4.01 1.51 0.01 0.54 -1.05 -1.26 -2.04 118.70 120.42 2ji3 s GLU 100 Ca 0.47 -0.90 -0.19 0.00 -0.15 0.00 0.00 54.97 54.19 2ji3 s GLU 100 Cb 0.12 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.40 2ji3 s GLU 100 CO 0.02 -0.66 0.43 0.00 0.95 0.00 0.00 175.26 176.00 2ji3 s ALA 101 N -3.89 -1.08 -0.11 -0.84 0.00 -0.02 -5.00 121.76 110.82 2ji3 s ALA 101 Ca 0.10 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.58 2ji3 s ALA 101 Cb -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 2ji3 s ALA 101 CO 0.00 -0.38 -0.19 0.08 0.00 0.00 0.00 175.76 175.27 2ji3 s VAL 102 N -1.89 2.51 -0.15 0.00 1.01 -1.26 -0.74 120.40 119.87 2ji3 s VAL 102 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2ji3 s VAL 102 Cb -0.02 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.39 2ji3 s VAL 102 CO 0.02 0.55 -0.12 -0.36 0.00 0.00 0.00 175.10 175.19 2ji3 s PHE 103 N 0.26 2.04 -0.57 5.22 0.08 -0.23 -5.00 117.98 119.78 2ji3 s PHE 103 Ca -0.13 -1.17 -0.23 0.00 0.12 0.00 0.00 56.93 55.51 2ji3 s PHE 103 Cb -0.17 -1.51 0.05 0.00 -0.57 0.00 0.00 43.02 40.82 2ji3 s PHE 103 CO 0.07 -0.65 0.92 -0.51 -0.10 0.00 0.00 175.22 174.95 2ji3 s LEU 104 N 1.53 4.22 0.04 -0.37 1.43 -1.26 -0.78 118.68 123.48 2ji3 s LEU 104 Ca 0.04 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 2ji3 s LEU 104 Cb -0.13 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 2ji3 s LEU 104 CO -0.10 -1.24 0.05 -0.51 0.23 0.00 0.00 176.35 174.79 2ji3 s ILE 105 N 3.87 0.15 -0.88 -0.59 2.07 -0.48 -4.95 121.20 120.38 2ji3 s ILE 105 Ca 0.28 -1.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.32 2ji3 s ILE 105 Cb -0.14 -0.92 0.31 0.00 0.13 0.00 0.00 42.46 41.85 2ji3 s ILE 105 CO 0.17 -0.66 1.39 -1.84 -1.91 0.00 0.00 174.94 172.08 2ji3 n GLU 106 N 0.76 4.29 -3.86 3.50 -0.00 -1.26 -3.93 120.64 120.14 2ji3 n GLU 106 Ca -0.19 -4.69 -0.12 0.00 -0.00 0.00 0.00 57.16 52.17 2ji3 n GLU 106 Cb 0.58 -2.40 -0.11 0.00 -0.00 0.00 0.00 31.44 29.52 2ji3 n GLU 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ji3 s ALA 107 N -3.50 -0.33 -0.16 -1.84 0.00 -1.26 -5.06 121.76 109.61 2ji3 s ALA 107 Ca 0.40 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 2ji3 s ALA 107 Cb 0.17 -0.02 -0.22 0.00 0.00 0.00 0.00 23.12 23.05 2ji3 s ALA 107 CO -0.06 -0.16 0.56 0.00 0.00 0.00 0.00 175.76 176.11 2ji3 h ALA 108 N 4.90 0.07 -2.36 0.00 0.00 -2.02 -3.44 119.26 116.41 2ji3 h ALA 108 Ca -0.29 -0.65 -0.66 0.00 0.00 0.00 0.00 54.91 53.31 2ji3 h ALA 108 Cb 1.20 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 19.03 2ji3 h ALA 108 CO 0.41 0.19 -0.03 0.15 0.00 0.00 0.00 179.25 179.97 2ji3 s LYS 109 N -2.22 3.43 0.04 0.00 -0.14 -1.26 -4.93 119.74 114.67 2ji3 s LYS 109 Ca -0.20 -0.33 0.03 0.00 -1.36 0.00 0.00 55.97 54.11 2ji3 s LYS 109 Cb -0.00 -3.88 -0.02 0.00 -1.68 0.00 0.00 37.83 32.25 2ji3 s LYS 109 CO 0.61 -0.78 -0.10 0.14 -0.76 0.00 0.00 175.35 174.46 2ji3 s VAL 110 N 2.47 0.72 -0.09 3.17 -7.23 -1.26 -4.52 120.40 113.65 2ji3 s VAL 110 Ca 0.19 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.36 2ji3 s VAL 110 Cb -0.15 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 2ji3 s VAL 110 CO 0.15 -0.24 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.86 2ji3 s VAL 111 N -1.14 2.96 -0.01 1.32 1.01 0.28 -3.16 120.40 121.66 2ji3 s VAL 111 Ca -0.05 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.24 2ji3 s VAL 111 Cb -0.09 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2ji3 s VAL 111 CO 0.01 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.56 2ji3 s ALA 112 N -0.10 2.85 0.03 5.51 0.00 -0.07 0.57 121.76 130.56 2ji3 s ALA 112 Ca -0.02 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2ji3 s ALA 112 Cb -0.14 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2ji3 s ALA 112 CO 0.04 0.59 -0.09 1.03 0.00 0.00 0.00 175.76 177.33 2ji3 s ARG 113 N -1.21 0.61 0.02 0.00 0.52 0.12 -1.63 118.95 117.39 2ji3 s ARG 113 Ca 0.15 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2ji3 s ARG 113 Cb -0.11 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 34.84 2ji3 s ARG 113 CO 0.05 0.12 -0.05 0.00 0.02 0.00 0.00 175.30 175.44 2ji3 s ALA 114 N -0.93 0.30 -0.08 2.13 0.00 0.24 0.94 121.76 124.36 2ji3 s ALA 114 Ca -0.04 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2ji3 s ALA 114 Cb -0.07 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2ji3 s ALA 114 CO 0.01 -0.06 -0.09 -0.47 0.00 0.00 0.00 175.76 175.15 2ji3 s TYR 115 N -1.08 1.36 -0.20 0.00 6.14 -1.00 -0.48 117.35 122.09 2ji3 s TYR 115 Ca -0.10 -0.57 -0.08 0.00 0.64 0.00 0.00 57.07 56.96 2ji3 s TYR 115 Cb -0.08 -1.08 -0.04 0.00 0.42 0.00 0.00 41.96 41.18 2ji3 s TYR 115 CO -0.00 -0.37 0.08 0.00 0.64 0.00 0.00 175.55 175.90 2ji3 h ASN 117 N 7.03 0.00 0.00 0.00 -1.07 -1.78 -0.77 115.58 118.99 2ji3 h ASN 117 Ca -0.37 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 55.55 2ji3 h ASN 117 Cb 1.17 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.35 2ji3 h ASN 117 CO 0.68 0.00 -2.49 -0.38 0.07 0.00 0.00 177.43 175.31 2ji3 n ILE 118 N -3.90 1.47 -0.15 6.14 2.08 -1.26 -4.71 119.36 119.04 2ji3 n ILE 118 Ca 0.12 -0.37 0.08 0.00 0.56 0.00 0.00 62.75 63.13 2ji3 n ILE 118 Cb 0.77 -1.87 0.29 0.00 -0.75 0.00 0.00 39.64 38.07 2ji3 n ILE 118 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2ji3 n HIS 119 N -4.21 1.18 -4.16 1.39 8.25 -1.14 -5.07 115.22 111.46 2ji3 n HIS 119 Ca -0.53 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.46 2ji3 n HIS 119 Cb 0.87 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.78 2ji3 n HIS 119 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ji3 n GLY 120 N 0.99 -0.91 3.72 -1.41 0.00 -0.31 -4.70 105.19 102.57 2ji3 n GLY 120 Ca 0.21 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 2ji3 n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ji3 s HIS 121 N 0.00 3.57 0.06 1.61 2.46 -1.26 -0.77 115.29 120.96 2ji3 s HIS 121 Ca 0.00 1.20 0.01 0.00 0.47 0.00 0.00 55.06 56.74 2ji3 s HIS 121 Cb 0.00 -2.77 -0.03 0.00 -0.13 0.00 0.00 32.58 29.64 2ji3 s HIS 121 CO 0.00 0.10 -0.06 -1.58 -2.47 0.00 0.00 174.74 170.73 2ji3 s TRP 122 N 0.78 0.68 0.23 3.88 0.52 0.37 -0.59 118.94 124.81 2ji3 s TRP 122 Ca 0.36 -0.79 -0.14 0.00 0.02 0.00 0.00 56.10 55.55 2ji3 s TRP 122 Cb -0.17 -0.42 0.00 0.00 -1.15 0.00 0.00 33.47 31.73 2ji3 s TRP 122 CO 0.17 -0.18 0.49 -1.59 0.02 0.00 0.00 176.95 175.85 2ji3 s LYS 123 N -2.97 1.48 0.23 4.98 -2.85 -1.26 -0.59 119.74 118.77 2ji3 s LYS 123 Ca 0.02 -1.13 -0.21 0.00 -1.00 0.00 0.00 55.97 53.65 2ji3 s LYS 123 Cb -0.00 0.48 0.04 0.00 -2.06 0.00 0.00 37.83 36.29 2ji3 s LYS 123 CO -0.04 -0.62 0.66 0.00 0.10 0.00 0.00 175.35 175.45 2ji3 s ALA 124 N -3.97 -1.30 0.25 0.59 0.00 -0.65 -4.56 121.76 112.12 2ji3 s ALA 124 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 2ji3 s ALA 124 Cb -0.01 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 2ji3 s ALA 124 CO 0.05 -0.93 0.38 -1.83 0.00 0.00 0.00 175.76 173.42 2ji3 s GLU 125 N -3.86 1.51 0.00 0.00 -1.05 -1.26 -0.89 118.70 113.14 2ji3 s GLU 125 Ca 0.08 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 2ji3 s GLU 125 Cb -0.04 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2ji3 s GLU 125 CO -0.00 -0.60 0.50 0.27 0.95 0.00 0.00 175.26 176.39