#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3i s ALA 2 N 0.00 2.06 0.00 -5.12 0.00 -1.26 -4.90 121.76 112.54 2k3i s ALA 2 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2k3i s ALA 2 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2k3i s ALA 2 CO 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 175.76 174.27 2k3i n MET 3 N 4.62 3.60 -3.98 0.00 -0.00 -1.26 -4.96 117.12 115.15 2k3i n MET 3 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.35 2k3i n MET 3 Cb 0.43 -0.56 -0.14 0.00 -0.00 0.00 0.00 33.22 32.94 2k3i n MET 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2k3i s LYS 4 N -1.00 1.74 -0.41 3.17 -2.85 -1.26 -4.99 119.74 114.15 2k3i s LYS 4 Ca 0.00 -2.23 0.02 0.00 -1.00 0.00 0.00 55.97 52.75 2k3i s LYS 4 Cb 0.00 -3.28 0.13 0.00 -2.06 0.00 0.00 37.83 32.62 2k3i s LYS 4 CO 0.00 -1.03 0.21 0.34 0.10 0.00 0.00 175.35 174.97 2k3i s ASP 5 N 0.38 3.70 -0.12 0.03 2.15 -1.26 -5.11 116.67 116.44 2k3i s ASP 5 Ca 0.14 -2.42 0.01 0.00 0.43 0.00 0.00 52.55 50.71 2k3i s ASP 5 Cb -0.22 -0.98 -0.01 0.00 -0.30 0.00 0.00 42.92 41.40 2k3i s ASP 5 CO -0.04 -0.30 -0.16 0.54 -0.17 0.00 0.00 175.17 175.04 2k3i s VAL 6 N 0.62 2.79 -0.09 1.11 0.11 -1.26 -5.10 120.40 118.57 2k3i s VAL 6 Ca 0.16 -0.76 -0.04 0.00 -2.93 0.00 0.00 61.98 58.41 2k3i s VAL 6 Cb -0.23 -2.15 0.05 0.00 -1.53 0.00 0.00 36.38 32.52 2k3i s VAL 6 CO -0.04 0.53 0.20 0.54 -3.33 0.00 0.00 175.10 173.01 2k3i s VAL 7 N 0.33 -0.13 -0.01 2.04 0.11 -1.26 -5.15 120.40 116.33 2k3i s VAL 7 Ca -0.13 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2k3i s VAL 7 Cb -0.16 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 2k3i s VAL 7 CO 0.07 0.09 -0.04 1.51 -3.33 0.00 0.00 175.10 173.39 2k3i s ASP 8 N 1.57 0.60 -0.85 3.54 -4.77 -1.26 -5.10 116.67 110.40 2k3i s ASP 8 Ca -0.06 -0.08 -0.15 0.00 -3.30 0.00 0.00 52.55 48.95 2k3i s ASP 8 Cb -0.11 -0.15 0.19 0.00 -1.09 0.00 0.00 42.92 41.76 2k3i s ASP 8 CO -0.07 0.02 0.86 -0.75 0.70 0.00 0.00 175.17 175.93 2k3i s LYS 9 N 0.21 3.58 -0.62 2.11 2.20 -1.26 -4.89 119.74 121.07 2k3i s LYS 9 Ca -0.02 -2.24 0.05 0.00 -0.36 0.00 0.00 55.97 53.40 2k3i s LYS 9 Cb -0.06 -4.56 0.17 0.00 -1.51 0.00 0.00 37.83 31.88 2k3i s LYS 9 CO -0.00 -1.43 0.45 0.00 -0.36 0.00 0.00 175.35 174.01 2k3i s SER 11 N -1.02 2.37 -0.42 0.00 0.01 -1.26 -4.95 113.70 108.42 2k3i s SER 11 Ca 0.27 -1.06 -0.13 0.00 1.31 0.00 0.00 55.95 56.33 2k3i s SER 11 Cb -0.02 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.13 2k3i s SER 11 CO -0.18 -0.26 0.56 0.41 0.41 0.00 0.00 173.24 174.18 2k3i n THR 12 N -0.38-10.32 -3.50 1.44 -1.04 -1.26 -4.97 114.28 94.25 2k3i n THR 12 Ca -0.08 0.74 -0.42 0.00 -2.04 0.00 0.00 64.05 62.25 2k3i n THR 12 Cb 0.61 -7.02 -0.05 0.00 -1.82 0.00 0.00 70.33 62.05 2k3i n THR 12 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2k3i s LYS 13 N -2.53 3.17 6.78 -2.82 2.20 -1.26 -4.96 119.74 120.33 2k3i s LYS 13 Ca 0.21 -2.53 0.00 0.00 -0.36 0.00 0.00 55.97 53.29 2k3i s LYS 13 Cb -0.06 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 2k3i s LYS 13 CO 0.71 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 2k3i n GLY 14 N 3.70 2.38 0.00 5.54 0.00 -1.26 -4.07 105.19 111.48 2k3i n GLY 14 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2k3i n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i s ALA 16 N -1.00 3.60 -0.09 0.00 0.00 -1.26 -4.96 121.76 118.06 2k3i s ALA 16 Ca 0.00 -2.98 0.01 0.00 0.00 0.00 0.00 51.96 48.99 2k3i s ALA 16 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 23.12 19.09 2k3i s ALA 16 CO 0.00 -2.89 -0.10 -1.50 0.00 0.00 0.00 175.76 171.27 2k3i s ILE 17 N 2.22 1.07 0.23 0.00 2.07 -1.26 -5.03 121.20 120.50 2k3i s ILE 17 Ca 0.35 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 2k3i s ILE 17 Cb -0.04 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.52 2k3i s ILE 17 CO -0.07 0.36 0.00 -0.67 -1.91 0.00 0.00 174.94 172.65 2k3i n ASP 18 N 4.33 -5.53 0.01 4.50 2.03 -1.26 -4.92 116.55 115.71 2k3i n ASP 18 Ca -0.18 0.68 0.02 0.00 0.52 0.00 0.00 54.79 55.83 2k3i n ASP 18 Cb 0.51 -2.11 -0.11 0.00 -0.72 0.00 0.00 41.12 38.69 2k3i n ASP 18 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k3i n ILE 19 N -0.38 0.86 -0.48 5.18 2.08 -1.26 -4.97 119.36 120.39 2k3i n ILE 19 Ca 0.00 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.65 2k3i n ILE 19 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 2k3i n ILE 19 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k3i n GLY 20 N 1.40 0.73 3.57 7.39 0.00 -1.26 -5.05 105.19 111.97 2k3i n GLY 20 Ca -0.11 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2k3i n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k3i s THR 21 N -2.00 5.10 -1.05 2.61 2.01 -1.26 -5.01 115.64 116.04 2k3i s THR 21 Ca 0.00 0.39 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 2k3i s THR 21 Cb 0.00 -3.85 0.08 0.00 0.01 0.00 0.00 72.50 68.74 2k3i s THR 21 CO 0.00 -0.06 1.42 0.68 -0.69 0.00 0.00 174.62 175.97 2k3i s VAL 22 N 2.22 4.17 -0.16 3.82 -7.23 -1.26 -4.94 120.40 117.01 2k3i s VAL 22 Ca 0.16 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 2k3i s VAL 22 Cb -0.16 -5.01 -0.01 0.00 0.56 0.00 0.00 36.38 31.76 2k3i s VAL 22 CO 0.12 -1.85 -0.11 -0.63 -0.31 0.00 0.00 175.10 172.32 2k3i s ILE 23 N 4.24 3.05 0.00 -0.62 1.01 -1.26 -5.12 121.20 122.50 2k3i s ILE 23 Ca 0.44 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2k3i s ILE 23 Cb -0.01 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2k3i s ILE 23 CO -0.07 0.49 0.00 -0.67 0.00 0.00 0.00 174.94 174.69 2k3i n ASP 24 N 4.06 0.48 -4.58 3.58 2.03 -1.26 -5.02 116.55 115.83 2k3i n ASP 24 Ca -0.18 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.70 2k3i n ASP 24 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 2k3i n ASP 24 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2k3i s ASN 25 N -0.51 6.35 0.00 1.67 -0.87 -1.26 -4.77 114.94 115.55 2k3i s ASN 25 Ca 0.00 0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.57 2k3i s ASN 25 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2k3i s ASN 25 CO 0.00 -1.53 0.00 -0.67 -2.57 0.00 0.00 177.10 172.33 2k3i n ASP 26 N 8.80 0.00 -3.67 -1.22 2.03 -1.26 -5.14 116.55 116.09 2k3i n ASP 26 Ca 0.11 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.34 2k3i n ASP 26 Cb 0.49 -0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 40.75 2k3i n ASP 26 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k3i s ASN 27 N -4.09 -0.33 0.00 1.67 2.20 -1.26 -5.04 114.94 108.08 2k3i s ASN 27 Ca 0.00 -0.31 -0.03 0.00 -0.94 0.00 0.00 52.86 51.58 2k3i s ASN 27 Cb 0.00 0.58 -0.13 0.00 -2.00 0.00 0.00 41.25 39.70 2k3i s ASN 27 CO 0.00 -1.03 2.64 0.00 -2.94 0.00 0.00 177.10 175.77 2k3i s THR 29 N 0.71 0.68 -0.12 0.00 2.01 -1.26 -0.38 115.64 117.29 2k3i s THR 29 Ca 0.33 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.09 2k3i s THR 29 Cb 0.16 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2k3i s THR 29 CO 0.00 0.29 0.25 -0.55 -0.69 0.00 0.00 174.62 173.92 2k3i s SER 30 N 1.45 6.47 0.00 3.53 0.15 -0.04 -4.86 113.70 120.40 2k3i s SER 30 Ca -0.02 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.23 2k3i s SER 30 Cb -0.13 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2k3i s SER 30 CO -0.04 0.26 -0.10 -0.54 1.20 0.00 0.00 173.24 174.02 2k3i s LYS 31 N -0.38 2.45 -0.08 5.44 -0.14 -1.26 -0.99 119.74 124.77 2k3i s LYS 31 Ca 0.16 -0.77 -0.02 0.00 -1.36 0.00 0.00 55.97 53.99 2k3i s LYS 31 Cb -0.13 -2.42 0.03 0.00 -1.68 0.00 0.00 37.83 33.63 2k3i s LYS 31 CO 0.05 0.59 0.02 0.12 -0.76 0.00 0.00 175.35 175.37 2k3i s PHE 32 N -0.93 0.60 -0.11 3.18 5.36 -0.16 -4.98 117.98 120.94 2k3i s PHE 32 Ca 0.15 -0.17 -0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2k3i s PHE 32 Cb -0.11 -0.77 0.03 0.00 -0.34 0.00 0.00 43.02 41.83 2k3i s PHE 32 CO 0.06 -0.34 -0.02 -1.12 -1.46 0.00 0.00 175.22 172.34 2k3i s SER 33 N 2.00 2.01 -0.01 6.13 0.01 -1.25 0.38 113.70 122.96 2k3i s SER 33 Ca 0.04 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 56.88 2k3i s SER 33 Cb -0.13 -0.59 0.02 0.00 0.21 0.00 0.00 66.02 65.53 2k3i s SER 33 CO -0.05 -0.19 0.29 -0.60 0.41 0.00 0.00 173.24 173.09 2k3i s ARG 34 N 1.87 0.64 -0.27 12.44 3.52 -0.65 -4.93 118.95 131.57 2k3i s ARG 34 Ca 0.04 -0.21 -0.24 0.00 -0.13 0.00 0.00 55.73 55.19 2k3i s ARG 34 Cb -0.13 0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2k3i s ARG 34 CO -0.07 -0.17 0.80 -0.06 -0.81 0.00 0.00 175.30 174.99 2k3i s PHE 35 N -1.32 3.26 0.18 5.12 0.08 -1.26 -1.24 117.98 122.80 2k3i s PHE 35 Ca -0.14 0.97 0.05 0.00 0.12 0.00 0.00 56.93 57.93 2k3i s PHE 35 Cb -0.05 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 2k3i s PHE 35 CO 0.04 -0.47 0.17 -0.06 -0.10 0.00 0.00 175.22 174.80 2k3i s PHE 36 N 2.88 3.20 0.15 0.36 0.40 0.14 -4.89 117.98 120.22 2k3i s PHE 36 Ca 0.33 -0.01 -0.17 0.00 -0.60 0.00 0.00 56.93 56.48 2k3i s PHE 36 Cb -0.15 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 41.88 2k3i s PHE 36 CO 0.10 0.52 1.79 0.00 0.70 0.00 0.00 175.22 178.32 2k3i h ALA 37 N 2.19 0.42 -2.25 5.36 0.00 -1.87 0.24 119.26 123.34 2k3i h ALA 37 Ca -0.48 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.17 2k3i h ALA 37 Cb 1.21 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2k3i h ALA 37 CO 0.63 -0.17 -0.69 0.99 0.00 0.00 0.00 179.25 180.02 2k3i s THR 38 N -6.16 0.76 0.44 0.00 2.01 -1.26 -3.82 115.64 107.61 2k3i s THR 38 Ca -0.13 -1.97 0.12 0.00 0.31 0.00 0.00 61.69 60.02 2k3i s THR 38 Cb 0.11 -1.87 0.30 0.00 0.01 0.00 0.00 72.50 71.05 2k3i s THR 38 CO 0.71 -0.71 2.04 -0.09 -0.69 0.00 0.00 174.62 175.88 2k3i h ARG 39 N 2.84 0.37 -0.16 4.92 2.43 -1.90 -1.67 114.38 121.21 2k3i h ARG 39 Ca -0.36 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2k3i h ARG 39 Cb 1.18 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2k3i h ARG 39 CO 0.64 0.25 0.08 0.93 -1.51 0.00 0.00 179.97 180.35 2k3i h GLU 40 N 0.38 0.16 -0.83 0.20 5.08 -1.98 0.11 114.58 117.70 2k3i h GLU 40 Ca 0.18 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.72 2k3i h GLU 40 Cb 0.24 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 2k3i h GLU 40 CO -0.04 0.11 0.56 0.93 -1.00 0.00 0.00 179.01 179.56 2k3i h GLU 41 N 0.17 0.35 0.06 2.33 4.39 -1.72 0.14 114.58 120.30 2k3i h GLU 41 Ca 0.06 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2k3i h GLU 41 Cb 0.01 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2k3i h GLU 41 CO -0.05 0.23 -0.03 0.00 -1.16 0.00 0.00 179.01 178.01 2k3i h ALA 42 N 1.62 -0.08 -0.12 3.43 0.00 -0.97 -3.14 119.26 120.01 2k3i h ALA 42 Ca 0.42 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2k3i h ALA 42 Cb 1.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k3i h ALA 42 CO -0.14 -0.14 -0.27 0.93 0.00 0.00 0.00 179.25 179.64 2k3i h GLU 43 N -0.88 0.21 -0.40 0.00 5.08 -0.33 -0.11 114.58 118.15 2k3i h GLU 43 Ca -0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2k3i h GLU 43 Cb 0.63 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2k3i h GLU 43 CO 0.01 0.47 0.04 0.77 -1.00 0.00 0.00 179.01 179.30 2k3i h SER 44 N 0.19 0.57 0.27 1.42 0.02 -0.85 -0.16 113.55 115.01 2k3i h SER 44 Ca 0.03 -0.10 -0.25 0.00 -0.84 0.00 0.00 61.79 60.63 2k3i h SER 44 Cb 0.58 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.98 2k3i h SER 44 CO 0.04 0.62 -1.03 0.15 -1.14 0.00 0.00 176.83 175.47 2k3i h PHE 45 N 0.59 0.74 -0.67 3.45 3.57 -1.26 -3.12 116.94 120.25 2k3i h PHE 45 Ca 0.13 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 2k3i h PHE 45 Cb 0.31 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2k3i h PHE 45 CO 0.01 1.26 0.33 1.98 -2.23 0.00 0.00 178.31 179.66 2k3i h MET 46 N 0.26 0.94 0.12 1.11 4.05 -0.69 -2.22 114.93 118.50 2k3i h MET 46 Ca -0.11 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 2k3i h MET 46 Cb 1.68 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.30 2k3i h MET 46 CO 0.19 0.72 -0.06 1.15 0.23 0.00 0.00 176.91 179.14 2k3i h THR 47 N 0.94 0.97 0.00 -0.77 2.02 -0.98 -2.33 112.91 112.76 2k3i h THR 47 Ca 0.23 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2k3i h THR 47 Cb 0.08 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2k3i h THR 47 CO -0.03 0.08 -0.32 0.07 0.37 0.00 0.00 175.52 175.69 2k3i h LYS 48 N -0.32 0.00 -0.35 6.66 2.10 -1.48 -2.08 116.57 121.10 2k3i h LYS 48 Ca -0.02 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.58 2k3i h LYS 48 Cb 0.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.57 2k3i h LYS 48 CO 0.03 0.32 0.01 -0.07 -2.00 0.00 0.00 179.45 177.73 2k3i h LEU 49 N 0.00 0.51 -0.51 7.07 -0.00 -1.15 -0.91 115.31 120.33 2k3i h LEU 49 Ca -0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2k3i h LEU 49 Cb 0.60 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 2k3i h LEU 49 CO 0.04 0.57 0.30 0.11 -0.00 0.00 0.00 178.44 179.47 2k3i h LYS 50 N 0.52 0.69 -0.46 1.13 1.57 -0.83 -0.79 116.57 118.41 2k3i h LYS 50 Ca 0.11 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2k3i h LYS 50 Cb 0.32 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2k3i h LYS 50 CO 0.01 0.51 0.02 0.93 -0.57 0.00 0.00 179.45 180.35 2k3i h GLU 51 N 0.68 0.79 -0.11 3.15 5.08 -1.36 -2.85 114.58 119.97 2k3i h GLU 51 Ca 0.18 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2k3i h GLU 51 Cb -0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2k3i h GLU 51 CO -0.03 0.84 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.51 2k3i h LEU 52 N 0.64 0.18 -1.21 1.33 3.38 -0.98 -1.76 115.31 116.91 2k3i h LEU 52 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2k3i h LEU 52 Cb 0.47 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2k3i h LEU 52 CO 0.02 0.43 0.01 0.00 0.09 0.00 0.00 178.44 178.98 2k3i h ALA 53 N 1.59 1.35 -0.02 1.53 0.00 -0.92 -0.25 119.26 122.55 2k3i h ALA 53 Ca 0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2k3i h ALA 53 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k3i h ALA 53 CO 0.03 0.45 -0.54 0.00 0.00 0.00 0.00 179.25 179.19 2k3i h ALA 54 N 1.49 1.07 0.02 0.00 0.00 -1.16 -0.89 119.26 119.79 2k3i h ALA 54 Ca 0.11 -0.49 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 2k3i h ALA 54 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k3i h ALA 54 CO 0.01 0.68 -0.94 0.00 0.00 0.00 0.00 179.25 178.99 2k3i h ALA 55 N 1.42 0.45 0.01 0.00 0.00 -0.92 -1.62 119.26 118.59 2k3i h ALA 55 Ca -0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 2k3i h ALA 55 Cb 0.97 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k3i h ALA 55 CO 0.07 1.07 -0.00 0.00 0.00 0.00 0.00 179.25 180.39 2k3i h ALA 56 N 1.00 -0.01 0.00 0.00 0.00 -0.89 -3.42 119.26 115.93 2k3i h ALA 56 Ca -0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2k3i h ALA 56 Cb 1.63 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2k3i h ALA 56 CO 0.13 -0.01 -1.36 0.43 0.00 0.00 0.00 179.25 178.44 2k3i n SER 57 N -4.68 3.68 0.00 0.00 7.64 -0.37 -4.96 113.62 114.93 2k3i n SER 57 Ca -0.07 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2k3i n SER 57 Cb 0.32 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 2k3i n SER 57 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3i n SER 58 N -2.25 0.00 -0.96 6.43 7.64 -0.61 -4.74 113.62 119.14 2k3i n SER 58 Ca -0.09 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.71 2k3i n SER 58 Cb 0.67 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.83 2k3i n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3i n ALA 59 N 0.09 -0.12 0.00 -0.43 0.00 -1.26 -1.70 120.51 117.09 2k3i n ALA 59 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2k3i n ALA 59 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2k3i n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3i n ASP 60 N 0.11 0.00 0.09 0.00 8.00 -1.26 -3.58 116.55 119.90 2k3i n ASP 60 Ca -0.08 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.45 2k3i n ASP 60 Cb 0.32 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2k3i h GLU 61 N 0.00 0.00 0.00 -1.24 4.81 -2.00 -3.50 114.58 112.64 2k3i h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k3i h GLU 61 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k3i h GLU 61 CO 0.00 0.33 0.00 0.41 -0.73 0.00 0.00 179.01 179.02 2k3i n GLY 62 N 1.30 1.87 3.81 1.92 0.00 -0.69 -5.05 105.19 108.34 2k3i n GLY 62 Ca -0.04 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 2k3i n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i s ALA 63 N -1.70 2.87 -0.53 4.61 0.00 -1.26 -4.75 121.76 120.99 2k3i s ALA 63 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 2k3i s ALA 63 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2k3i s ALA 63 CO 0.00 -0.47 1.78 -1.12 0.00 0.00 0.00 175.76 175.95 2k3i s SER 64 N -2.53 5.55 -0.28 0.00 0.01 -0.81 -4.85 113.70 110.80 2k3i s SER 64 Ca 0.64 0.58 -0.11 0.00 1.31 0.00 0.00 55.95 58.37 2k3i s SER 64 Cb -0.14 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2k3i s SER 64 CO 0.28 -2.12 0.18 0.54 0.41 0.00 0.00 173.24 172.54 2k3i s VAL 65 N 8.11 5.24 -0.49 3.43 0.11 -1.26 0.18 120.40 135.72 2k3i s VAL 65 Ca 0.68 0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 59.77 2k3i s VAL 65 Cb -0.15 -3.49 0.12 0.00 -1.53 0.00 0.00 36.38 31.33 2k3i s VAL 65 CO 0.25 0.26 0.39 0.00 -3.33 0.00 0.00 175.10 172.67 2k3i s ALA 66 N 1.70 3.46 0.11 1.54 0.00 0.15 -4.96 121.76 123.77 2k3i s ALA 66 Ca 0.07 -2.56 0.06 0.00 0.00 0.00 0.00 51.96 49.53 2k3i s ALA 66 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2k3i s ALA 66 CO 0.10 -1.94 -0.05 1.52 0.00 0.00 0.00 175.76 175.39 2k3i s TYR 67 N 1.38 2.84 -0.01 0.00 1.13 -1.26 -1.64 117.35 119.79 2k3i s TYR 67 Ca 0.05 -0.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.63 2k3i s TYR 67 Cb -0.27 -1.46 -0.00 0.00 -1.10 0.00 0.00 41.96 39.13 2k3i s TYR 67 CO -0.00 0.46 -0.07 0.15 -2.51 0.00 0.00 175.55 173.58 2k3i s LYS 68 N -2.35 0.63 -0.28 -3.49 1.02 0.93 -5.01 119.74 111.19 2k3i s LYS 68 Ca 0.24 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.99 2k3i s LYS 68 Cb -0.11 -0.61 0.09 0.00 -0.52 0.00 0.00 37.83 36.67 2k3i s LYS 68 CO 0.16 0.12 0.05 0.42 -0.92 0.00 0.00 175.35 175.18 2k3i s ILE 69 N -0.00 1.23 -0.23 2.17 1.01 -1.26 -0.97 121.20 123.15 2k3i s ILE 69 Ca 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 60.65 59.18 2k3i s ILE 69 Cb -0.05 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 2k3i s ILE 69 CO -0.00 -0.48 -0.02 -0.75 0.00 0.00 0.00 174.94 173.69 2k3i s LYS 70 N 1.47 3.34 -0.51 2.79 2.20 -0.46 -4.97 119.74 123.60 2k3i s LYS 70 Ca 0.05 -0.66 -0.27 0.00 -0.36 0.00 0.00 55.97 54.73 2k3i s LYS 70 Cb -0.18 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2k3i s LYS 70 CO -0.16 -0.24 1.07 -0.51 -0.36 0.00 0.00 175.35 175.16 2k3i s ASP 71 N 1.49 6.51 0.58 1.43 1.01 -1.26 -0.69 116.67 125.73 2k3i s ASP 71 Ca 0.05 0.17 0.08 0.00 0.71 0.00 0.00 52.55 53.56 2k3i s ASP 71 Cb -0.15 -2.51 0.08 0.00 1.01 0.00 0.00 42.92 41.35 2k3i s ASP 71 CO -0.02 -1.26 0.63 0.18 0.21 0.00 0.00 175.17 174.91 2k3i n LEU 72 N 7.79 0.00 -4.48 1.23 4.77 -0.17 -5.00 117.00 121.13 2k3i n LEU 72 Ca 0.08 -2.72 -0.43 0.00 -0.03 0.00 0.00 56.01 52.91 2k3i n LEU 72 Cb 0.49 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2k3i n LEU 72 CO 0.69 -0.66 0.66 -1.61 -1.33 0.00 0.00 177.39 175.14 2k3i s GLU 73 N -4.49 3.22 0.00 3.23 8.01 -1.26 -3.79 118.70 123.61 2k3i s GLU 73 Ca 0.48 -0.59 0.00 0.00 0.01 0.00 0.00 54.97 54.87 2k3i s GLU 73 Cb -0.04 -4.12 0.00 0.00 -4.31 0.00 0.00 34.13 25.66 2k3i s GLU 73 CO 0.30 -1.53 0.00 0.41 0.01 0.00 0.00 175.26 174.45 2k3i n GLY 74 N 5.20 0.58 3.87 -1.39 0.00 -1.26 -4.99 105.19 107.19 2k3i n GLY 74 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2k3i n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k3i s GLN 75 N -0.81 1.45 0.05 1.61 -2.07 -1.25 -4.82 119.66 113.82 2k3i s GLN 75 Ca 0.00 -0.93 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 2k3i s GLN 75 Cb 0.00 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 2k3i s GLN 75 CO 0.00 -0.68 -0.04 0.14 -1.32 0.00 0.00 175.29 173.39 2k3i s VAL 76 N -2.21 0.33 -0.33 3.63 -7.23 0.83 -1.00 120.40 114.41 2k3i s VAL 76 Ca 0.21 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 2k3i s VAL 76 Cb -0.03 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 2k3i s VAL 76 CO 0.06 -0.82 0.20 -0.70 -0.31 0.00 0.00 175.10 173.52 2k3i s GLU 77 N -3.23 3.31 -0.34 4.82 2.56 0.13 -0.68 118.70 125.26 2k3i s GLU 77 Ca 0.02 -0.76 -0.12 0.00 0.00 0.00 0.00 54.97 54.12 2k3i s GLU 77 Cb 0.02 -3.69 -0.01 0.00 2.00 0.00 0.00 34.13 32.46 2k3i s GLU 77 CO -0.06 -0.48 0.21 -1.17 -0.56 0.00 0.00 175.26 173.20 2k3i s LEU 78 N 1.65 4.44 -0.24 2.70 1.98 -0.37 -1.35 118.68 127.49 2k3i s LEU 78 Ca 0.05 -0.56 0.02 0.00 -2.89 0.00 0.00 54.13 50.75 2k3i s LEU 78 Cb -0.18 -2.08 0.05 0.00 0.66 0.00 0.00 46.19 44.65 2k3i s LEU 78 CO 0.08 -0.25 -0.10 -0.62 -1.89 0.00 0.00 176.35 173.57 2k3i s ASP 79 N 1.66 4.00 -0.04 3.68 2.15 -0.14 -1.63 116.67 126.33 2k3i s ASP 79 Ca 0.05 -1.19 0.03 0.00 0.43 0.00 0.00 52.55 51.87 2k3i s ASP 79 Cb -0.18 -1.38 -0.03 0.00 -0.30 0.00 0.00 42.92 41.04 2k3i s ASP 79 CO 0.08 -0.18 -0.11 0.00 -0.17 0.00 0.00 175.17 174.79 2k3i s ALA 80 N 1.25 2.81 -0.21 3.66 0.00 0.16 -0.05 121.76 129.38 2k3i s ALA 80 Ca -0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 2k3i s ALA 80 Cb -0.19 -1.06 0.07 0.00 0.00 0.00 0.00 23.12 21.95 2k3i s ALA 80 CO -0.06 0.57 0.11 0.00 0.00 0.00 0.00 175.76 176.37 2k3i s ALA 81 N -0.80 0.44 -0.35 0.00 0.00 -0.65 -0.99 121.76 119.41 2k3i s ALA 81 Ca 0.13 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 2k3i s ALA 81 Cb -0.11 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2k3i s ALA 81 CO 0.02 -1.32 0.19 -0.06 0.00 0.00 0.00 175.76 174.59 2k3i s PHE 82 N 2.14 3.22 -0.23 0.00 0.40 -0.17 0.34 117.98 123.68 2k3i s PHE 82 Ca 0.04 -0.76 -0.18 0.00 -0.60 0.00 0.00 56.93 55.43 2k3i s PHE 82 Cb -0.16 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 2k3i s PHE 82 CO -0.18 -0.56 0.52 0.99 0.70 0.00 0.00 175.22 176.69 2k3i s THR 83 N 1.59 5.09 0.24 0.64 2.01 0.13 -0.86 115.64 124.48 2k3i s THR 83 Ca 0.03 0.92 0.03 0.00 0.31 0.00 0.00 61.69 62.98 2k3i s THR 83 Cb -0.18 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.52 2k3i s THR 83 CO 0.07 0.13 0.22 0.49 -0.69 0.00 0.00 174.62 174.84 2k3i n PHE 84 N 5.15 -1.49 -0.07 4.92 3.72 0.49 -1.92 117.46 128.27 2k3i n PHE 84 Ca -0.04 -1.00 -0.13 0.00 -0.05 0.00 0.00 57.45 56.23 2k3i n PHE 84 Cb 0.50 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 2k3i n PHE 84 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2k3i h SER 85 N 0.23 0.52 -5.51 4.37 0.02 -1.98 -3.47 113.55 107.73 2k3i h SER 85 Ca -0.14 -0.48 -0.28 0.00 -0.84 0.00 0.00 61.79 60.05 2k3i h SER 85 Cb 0.56 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 2k3i h SER 85 CO 0.22 0.90 -0.15 0.00 -1.14 0.00 0.00 176.83 176.66 2k3i h GLN 87 N 2.07 0.00 -0.01 0.00 4.15 -1.91 -2.96 115.11 116.45 2k3i h GLN 87 Ca -0.28 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.14 2k3i h GLN 87 Cb 1.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2k3i h GLN 87 CO 0.39 0.00 -0.04 0.00 -1.93 0.00 0.00 178.83 177.25 2k3i h ALA 88 N 2.22 -0.03 0.00 3.38 0.00 -1.99 0.71 119.26 123.54 2k3i h ALA 88 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2k3i h ALA 88 Cb 0.64 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k3i h ALA 88 CO 0.00 -0.53 -0.44 1.05 0.00 0.00 0.00 179.25 179.33 2k3i h GLU 89 N -0.07 0.00 0.68 0.00 9.09 -1.93 -3.19 114.58 119.16 2k3i h GLU 89 Ca 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.40 2k3i h GLU 89 Cb 0.09 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.20 2k3i h GLU 89 CO -0.05 0.44 -0.33 1.98 0.05 0.00 0.00 179.01 181.11 2k3i h MET 90 N 0.00 -0.88 -0.41 1.06 4.05 -1.17 -2.50 114.93 115.08 2k3i h MET 90 Ca -0.00 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2k3i h MET 90 Cb 1.08 0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 2k3i h MET 90 CO 0.06 -0.57 0.16 -0.84 0.23 0.00 0.00 176.91 175.95 2k3i h ILE 91 N -0.94 1.20 0.00 1.77 3.07 -0.97 -2.56 117.51 119.08 2k3i h ILE 91 Ca -0.09 -0.62 -0.05 0.00 1.55 0.00 0.00 64.86 65.65 2k3i h ILE 91 Cb 0.71 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 2k3i h ILE 91 CO 0.15 0.22 -0.23 0.16 -1.05 0.00 0.00 178.15 177.40 2k3i h ILE 92 N 0.52 1.14 0.12 0.16 -0.00 -1.61 -1.24 117.51 116.60 2k3i h ILE 92 Ca 0.14 -0.81 -0.01 0.00 -0.00 0.00 0.00 64.86 64.19 2k3i h ILE 92 Cb 0.19 1.44 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 2k3i h ILE 92 CO -0.01 0.23 -0.06 0.15 -0.00 0.00 0.00 178.15 178.46 2k3i h PHE 93 N 0.00 -0.15 0.00 0.16 3.57 -1.04 -2.73 116.94 116.75 2k3i h PHE 93 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2k3i h PHE 93 Cb 0.42 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2k3i h PHE 93 CO 0.00 0.10 -0.49 1.05 -2.23 0.00 0.00 178.31 176.75 2k3i h GLU 94 N -0.40 0.00 -0.12 1.11 4.11 -1.25 -1.96 114.58 116.06 2k3i h GLU 94 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.44 2k3i h GLU 94 Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2k3i h GLU 94 CO 0.03 0.49 -0.07 -0.07 0.07 0.00 0.00 179.01 179.46 2k3i h LEU 95 N 0.00 -0.21 -0.78 3.06 3.38 -1.20 -2.50 115.31 117.06 2k3i h LEU 95 Ca -0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2k3i h LEU 95 Cb 1.02 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2k3i h LEU 95 CO 0.06 -0.09 0.35 0.28 0.09 0.00 0.00 178.44 179.13 2k3i h SER 96 N -0.06 1.04 -0.44 -0.43 0.02 -1.20 -2.57 113.55 109.92 2k3i h SER 96 Ca 0.07 -0.15 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2k3i h SER 96 Cb 0.16 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 2k3i h SER 96 CO -0.16 0.90 0.02 -0.07 -1.14 0.00 0.00 176.83 176.39 2k3i h LEU 97 N 1.11 -0.13 0.02 5.07 3.38 -1.03 -0.53 115.31 123.20 2k3i h LEU 97 Ca 0.27 0.10 -0.27 0.00 0.09 0.00 0.00 57.88 58.06 2k3i h LEU 97 Cb 0.16 0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.09 2k3i h LEU 97 CO -0.03 -0.03 -1.13 0.03 0.09 0.00 0.00 178.44 177.37 2k3i h ARG 98 N 0.14 0.54 0.00 1.13 3.08 -1.32 -2.54 114.38 115.42 2k3i h ARG 98 Ca 0.22 -0.68 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 2k3i h ARG 98 Cb 0.31 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 2k3i h ARG 98 CO -0.34 1.28 -0.15 0.77 -1.07 0.00 0.00 179.97 180.46 2k3i h SER 99 N 0.26 0.00 0.06 7.04 0.02 -1.31 -1.15 113.55 118.48 2k3i h SER 99 Ca -0.14 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.64 2k3i h SER 99 Cb 1.80 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.34 2k3i h SER 99 CO 0.21 0.15 -0.85 0.25 -1.14 0.00 0.00 176.83 175.45 2k3i h LEU 100 N 0.00 0.21 0.05 5.07 5.85 -1.05 -3.37 115.31 122.07 2k3i h LEU 100 Ca -0.00 -0.85 -0.18 0.00 0.84 0.00 0.00 57.88 57.69 2k3i h LEU 100 Cb 0.85 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 41.82 2k3i h LEU 100 CO 0.02 1.37 -0.72 0.00 -0.34 0.00 0.00 178.44 178.76 2k3i h ALA 101 N -0.09 0.02 -5.66 1.25 0.00 -1.53 -3.47 119.26 109.77 2k3i h ALA 101 Ca -0.19 -0.62 -0.36 0.00 0.00 0.00 0.00 54.91 53.74 2k3i h ALA 101 Cb 1.43 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 2k3i h ALA 101 CO 0.01 0.39 -0.53 1.28 0.00 0.00 0.00 179.25 180.40 2k3i n LEU 102 N -4.15 -1.17 -5.00 0.00 4.77 -0.43 -4.95 117.00 106.06 2k3i n LEU 102 Ca -0.12 -0.39 -0.23 0.00 -0.03 0.00 0.00 56.01 55.24 2k3i n LEU 102 Cb 0.74 -1.85 0.10 0.00 -2.33 0.00 0.00 43.42 40.08 2k3i n LEU 102 CO 0.48 0.12 0.52 -0.70 -1.33 0.00 0.00 177.39 176.48 2k3i s GLU 103 N -6.06 1.78 -0.09 3.23 2.12 -1.26 -5.02 118.70 113.39 2k3i s GLU 103 Ca 0.41 -1.20 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 2k3i s GLU 103 Cb -0.22 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 2k3i s GLU 103 CO 0.50 -1.35 1.29 -1.01 -0.54 0.00 0.00 175.26 174.15 2k3i s HIS 104 N -3.06 2.91 -1.24 5.30 3.76 -1.26 -4.93 115.29 116.76 2k3i s HIS 104 Ca 0.66 1.00 -0.18 0.00 -0.15 0.00 0.00 55.06 56.39 2k3i s HIS 104 Cb -0.05 -3.53 0.09 0.00 1.11 0.00 0.00 32.58 30.20 2k3i s HIS 104 CO 0.43 -1.82 1.63 -1.58 -0.85 0.00 0.00 174.74 172.55 2k3i s HIS 105 N 2.91 2.91 -0.47 1.40 2.46 -1.26 -4.94 115.29 118.30 2k3i s HIS 105 Ca 0.58 -1.65 -0.19 0.00 0.47 0.00 0.00 55.06 54.27 2k3i s HIS 105 Cb -0.25 -4.65 0.04 0.00 -0.13 0.00 0.00 32.58 27.59 2k3i s HIS 105 CO 0.20 -1.73 0.61 -1.58 -2.47 0.00 0.00 174.74 169.77 2k3i s HIS 106 N 3.73 3.07 0.00 3.88 5.04 -1.26 -4.39 115.29 125.36 2k3i s HIS 106 Ca 0.50 -0.34 0.00 0.00 -1.54 0.00 0.00 55.06 53.69 2k3i s HIS 106 Cb 0.02 -3.38 0.00 0.00 0.04 0.00 0.00 32.58 29.26 2k3i s HIS 106 CO 0.04 -0.93 0.00 1.58 -2.34 0.00 0.00 174.74 173.09 2k3i n HIS 107 N 6.14 0.00 -1.18 3.88 -0.00 -1.26 -4.63 115.22 118.17 2k3i n HIS 107 Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.61 2k3i n HIS 107 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.43 2k3i n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k3i n HIS 108 N -0.03 0.00 -1.85 1.57 -0.00 -1.26 -5.16 115.22 108.49 2k3i n HIS 108 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2k3i n HIS 108 Cb 0.00 -1.91 0.00 0.00 -0.12 0.00 0.00 29.99 27.96 2k3i n HIS 108 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38