#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 -0.08 -0.09 3.04 0.00 -1.26 -5.02 121.76 118.35 2k3i s ALA 2 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 2k3i s ALA 2 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 2k3i s ALA 2 CO 0.00 -1.63 -0.19 -1.33 0.00 0.00 0.00 175.76 172.61 2k3i n MET 3 N 5.29 0.28 -2.35 0.00 2.00 -1.26 -5.11 117.12 115.98 2k3i n MET 3 Ca -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 57.70 57.73 2k3i n MET 3 Cb 0.45 -0.98 -0.03 0.00 0.00 0.00 0.00 33.22 32.66 2k3i n MET 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2k3i n LYS 4 N -3.58 -3.84 -4.18 0.03 4.81 -1.26 -5.05 118.16 105.09 2k3i n LYS 4 Ca -0.07 2.97 -0.25 0.00 -0.87 0.00 0.00 58.31 60.09 2k3i n LYS 4 Cb 0.28 -4.28 -0.06 0.00 0.02 0.00 0.00 35.03 30.98 2k3i n LYS 4 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2k3i s ASP 5 N -0.53 5.06 0.02 3.14 2.15 -1.26 -5.13 116.67 120.12 2k3i s ASP 5 Ca -0.21 -0.35 0.02 0.00 0.43 0.00 0.00 52.55 52.44 2k3i s ASP 5 Cb 0.01 -1.16 -0.02 0.00 -0.30 0.00 0.00 42.92 41.45 2k3i s ASP 5 CO 0.57 0.04 -0.08 0.54 -0.17 0.00 0.00 175.17 176.07 2k3i s VAL 6 N -1.94 0.56 -0.26 1.11 0.11 -1.26 -5.14 120.40 113.59 2k3i s VAL 6 Ca 0.30 -0.73 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2k3i s VAL 6 Cb -0.09 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2k3i s VAL 6 CO 0.21 -0.14 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.15 2k3i s VAL 7 N -0.82 3.39 -0.24 2.04 1.01 -1.26 -5.05 120.40 119.46 2k3i s VAL 7 Ca -0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2k3i s VAL 7 Cb -0.07 -2.68 0.13 0.00 0.00 0.00 0.00 36.38 33.77 2k3i s VAL 7 CO 0.00 0.22 0.39 -0.62 0.00 0.00 0.00 175.10 175.09 2k3i s ASP 8 N 1.43 0.14 -0.12 3.32 2.15 -1.26 -5.06 116.67 117.27 2k3i s ASP 8 Ca 0.03 0.29 -0.09 0.00 0.43 0.00 0.00 52.55 53.20 2k3i s ASP 8 Cb -0.16 1.18 -0.03 0.00 -0.30 0.00 0.00 42.92 43.61 2k3i s ASP 8 CO -0.02 -0.30 -0.17 1.17 -0.17 0.00 0.00 175.17 175.69 2k3i n LYS 9 N 5.37 0.38 -3.64 4.34 3.00 -1.26 -5.04 118.16 121.31 2k3i n LYS 9 Ca -0.04 0.43 -0.06 0.00 -0.00 0.00 0.00 58.31 58.64 2k3i n LYS 9 Cb 0.50 -1.48 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 2k3i n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k3i s SER 11 N 1.07 6.24 -0.31 0.00 0.15 -1.26 -5.02 113.70 114.58 2k3i s SER 11 Ca -0.06 -0.87 -0.08 0.00 0.70 0.00 0.00 55.95 55.64 2k3i s SER 11 Cb -0.04 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2k3i s SER 11 CO -0.13 -1.08 0.11 0.28 1.20 0.00 0.00 173.24 173.62 2k3i s THR 12 N 3.14 4.21 0.08 6.45 -1.32 -1.26 -5.06 115.64 121.88 2k3i s THR 12 Ca 0.19 -0.64 -0.26 0.00 -1.21 0.00 0.00 61.69 59.77 2k3i s THR 12 Cb -0.18 -3.19 0.07 0.00 -1.51 0.00 0.00 72.50 67.69 2k3i s THR 12 CO 0.12 0.04 0.64 -0.75 -2.21 0.00 0.00 174.62 172.46 2k3i s LYS 13 N 1.54 1.18 0.00 7.08 2.20 -1.26 -4.97 119.74 125.51 2k3i s LYS 13 Ca 0.03 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2k3i s LYS 13 Cb -0.17 0.55 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 2k3i s LYS 13 CO 0.04 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 2k3i n GLY 14 N 0.09 1.34 2.27 5.54 0.00 -1.26 -5.01 105.19 108.16 2k3i n GLY 14 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.75 -1.33 -0.21 0.00 0.00 -1.26 -5.13 121.76 110.09 2k3i s ALA 16 Ca 0.63 1.29 -0.26 0.00 0.00 0.00 0.00 51.96 53.61 2k3i s ALA 16 Cb 0.50 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2k3i s ALA 16 CO 0.01 -0.28 0.91 -1.50 0.00 0.00 0.00 175.76 174.89 2k3i s ILE 17 N -0.26 4.80 0.17 0.00 2.07 -1.26 -5.02 121.20 121.70 2k3i s ILE 17 Ca -0.04 1.76 -0.04 0.00 -1.41 0.00 0.00 60.65 60.92 2k3i s ILE 17 Cb -0.03 -4.20 -0.03 0.00 0.13 0.00 0.00 42.46 38.33 2k3i s ILE 17 CO 0.03 -0.07 0.17 -0.62 -1.91 0.00 0.00 174.94 172.54 2k3i s ASP 18 N 1.23 0.16 0.00 4.50 -1.08 -1.26 -5.05 116.67 115.17 2k3i s ASP 18 Ca 0.40 -1.14 0.19 0.00 -0.52 0.00 0.00 52.55 51.48 2k3i s ASP 18 Cb -0.16 0.38 -0.20 0.00 -1.46 0.00 0.00 42.92 41.49 2k3i s ASP 18 CO 0.09 -0.84 0.60 -0.38 0.52 0.00 0.00 175.17 175.16 2k3i n ILE 19 N -0.20 0.79 0.00 4.11 2.08 -1.26 -4.97 119.36 119.91 2k3i n ILE 19 Ca -0.04 -0.65 0.00 0.00 0.56 0.00 0.00 62.75 62.63 2k3i n ILE 19 Cb 0.64 -0.40 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 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 1.39 3.44 3.01 7.39 0.00 -1.26 -5.02 105.19 114.15 2k3i n GLY 20 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 2k3i n GLY 20 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k3i s THR 21 N -3.00 0.56 -0.03 2.61 -1.32 -1.26 -5.15 115.64 108.06 2k3i s THR 21 Ca 0.00 -0.53 0.03 0.00 -1.21 0.00 0.00 61.69 59.98 2k3i s THR 21 Cb 0.00 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 2k3i s THR 21 CO 0.00 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.61 2k3i s VAL 22 N -0.51 0.96 0.52 5.08 1.01 -1.26 -5.12 120.40 121.09 2k3i s VAL 22 Ca -0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2k3i s VAL 22 Cb -0.05 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 2k3i s VAL 22 CO 0.00 0.29 1.35 -0.51 0.00 0.00 0.00 175.10 176.23 2k3i s ILE 23 N 0.12 2.18 0.00 2.22 2.07 -1.26 -4.96 121.20 121.57 2k3i s ILE 23 Ca -0.03 0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.35 2k3i s ILE 23 Cb -0.09 -3.07 -0.00 0.00 0.13 0.00 0.00 42.46 39.42 2k3i s ILE 23 CO 0.01 0.00 1.01 0.44 -1.91 0.00 0.00 174.94 174.49 2k3i h ASP 24 N 1.66 -0.02 -5.39 4.50 5.19 -2.06 -3.48 116.42 116.82 2k3i h ASP 24 Ca -0.51 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.12 2k3i h ASP 24 Cb 1.29 0.01 -0.10 0.00 0.18 0.00 0.00 39.33 40.71 2k3i h ASP 24 CO 0.58 -0.01 0.57 0.54 -3.12 0.00 0.00 179.24 177.81 2k3i s ASN 25 N -2.41 -0.16 0.00 6.45 2.20 -1.26 -5.18 114.94 114.58 2k3i s ASN 25 Ca -0.00 -0.31 0.00 0.00 -0.94 0.00 0.00 52.86 51.60 2k3i s ASN 25 Cb 0.00 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 39.65 2k3i s ASN 25 CO 0.01 -0.73 0.00 -0.67 -2.94 0.00 0.00 177.10 172.77 2k3i n ASP 26 N -0.46 0.00 -2.46 3.54 -0.08 -1.26 -5.18 116.55 110.65 2k3i n ASP 26 Ca -0.07 -0.04 -0.05 0.00 -1.51 0.00 0.00 54.79 53.13 2k3i n ASP 26 Cb 0.61 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.10 2k3i n ASP 26 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2k3i n ASN 27 N -0.01 0.19 0.07 1.67 2.04 -1.26 -5.02 115.26 112.95 2k3i n ASN 27 Ca 0.00 -1.19 0.09 0.00 -0.44 0.00 0.00 54.58 53.05 2k3i n ASN 27 Cb 0.00 -0.15 -0.05 0.00 -2.53 0.00 0.00 39.78 37.06 2k3i n ASN 27 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k3i s THR 29 N -3.32 4.98 -0.49 0.00 2.01 -1.26 -3.58 115.64 113.98 2k3i s THR 29 Ca -0.02 1.53 -0.17 0.00 0.31 0.00 0.00 61.69 63.33 2k3i s THR 29 Cb 0.10 -4.08 0.06 0.00 0.01 0.00 0.00 72.50 68.59 2k3i s THR 29 CO 0.82 0.16 0.50 -0.55 -0.69 0.00 0.00 174.62 174.86 2k3i s SER 30 N 0.96 6.18 0.08 3.53 0.15 0.12 -4.92 113.70 119.81 2k3i s SER 30 Ca 0.38 -1.11 0.05 0.00 0.70 0.00 0.00 55.95 55.97 2k3i s SER 30 Cb -0.17 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2k3i s SER 30 CO 0.16 -0.76 -0.03 -0.54 1.20 0.00 0.00 173.24 173.28 2k3i s LYS 31 N 2.12 2.46 -0.19 5.44 1.02 -1.25 -1.11 119.74 128.22 2k3i s LYS 31 Ca 0.09 -0.86 -0.08 0.00 0.02 0.00 0.00 55.97 55.14 2k3i s LYS 31 Cb -0.22 -2.49 0.08 0.00 -0.52 0.00 0.00 37.83 34.68 2k3i s LYS 31 CO 0.09 0.54 0.43 0.12 -0.92 0.00 0.00 175.35 175.62 2k3i s PHE 32 N -1.25 -0.74 -0.25 3.18 5.36 -0.33 -4.97 117.98 118.98 2k3i s PHE 32 Ca 0.24 1.47 0.01 0.00 -0.96 0.00 0.00 56.93 57.69 2k3i s PHE 32 Cb -0.11 0.31 0.06 0.00 -0.34 0.00 0.00 43.02 42.94 2k3i s PHE 32 CO 0.16 -0.43 -0.05 -1.12 -1.46 0.00 0.00 175.22 172.31 2k3i s SER 33 N 2.11 4.02 0.04 6.13 0.01 -1.25 -1.02 113.70 123.74 2k3i s SER 33 Ca -0.05 -1.30 0.06 0.00 1.31 0.00 0.00 55.95 55.97 2k3i s SER 33 Cb -0.10 -1.26 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 2k3i s SER 33 CO -0.13 -0.25 -0.17 -0.60 0.41 0.00 0.00 173.24 172.50 2k3i s ARG 34 N 1.32 1.14 0.05 12.44 3.52 -0.87 -4.93 118.95 131.62 2k3i s ARG 34 Ca -0.05 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 54.43 2k3i s ARG 34 Cb -0.19 -1.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.95 2k3i s ARG 34 CO -0.07 0.30 0.86 -0.06 -0.81 0.00 0.00 175.30 175.53 2k3i s PHE 35 N -0.83 3.73 0.24 5.12 0.08 -1.26 -0.84 117.98 124.22 2k3i s PHE 35 Ca 0.04 1.60 0.12 0.00 0.12 0.00 0.00 56.93 58.81 2k3i s PHE 35 Cb -0.08 -2.95 -0.05 0.00 -0.57 0.00 0.00 43.02 39.37 2k3i s PHE 35 CO 0.02 0.19 -0.21 -0.06 -0.10 0.00 0.00 175.22 175.05 2k3i s PHE 36 N 0.22 2.28 0.03 0.36 0.08 0.98 -4.95 117.98 116.97 2k3i s PHE 36 Ca 0.43 -0.35 -0.24 0.00 0.12 0.00 0.00 56.93 56.90 2k3i s PHE 36 Cb -0.21 -1.04 -0.17 0.00 -0.57 0.00 0.00 43.02 41.03 2k3i s PHE 36 CO 0.26 0.62 1.47 0.00 -0.10 0.00 0.00 175.22 177.47 2k3i h ALA 37 N 2.66 0.05 -2.21 5.36 0.00 -1.89 -1.05 119.26 122.18 2k3i h ALA 37 Ca -0.42 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 53.83 2k3i h ALA 37 Cb 1.24 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2k3i h ALA 37 CO 0.55 -0.30 -0.74 0.95 0.00 0.00 0.00 179.25 179.71 2k3i s THR 38 N -5.05 2.00 0.45 0.00 -4.23 -1.26 -4.27 115.64 103.28 2k3i s THR 38 Ca -0.15 -2.28 0.25 0.00 -1.18 0.00 0.00 61.69 58.33 2k3i s THR 38 Cb 0.04 -2.15 0.28 0.00 1.34 0.00 0.00 72.50 72.01 2k3i s THR 38 CO 0.68 -0.52 2.08 -0.09 -0.54 0.00 0.00 174.62 176.23 2k3i h ARG 39 N 2.45 0.00 -0.22 3.99 2.43 -1.92 -1.87 114.38 119.24 2k3i h ARG 39 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2k3i h ARG 39 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2k3i h ARG 39 CO 0.61 0.11 0.14 0.93 -1.51 0.00 0.00 179.97 180.26 2k3i h GLU 40 N 0.00 0.28 -0.81 0.20 5.08 -1.99 -1.95 114.58 115.38 2k3i h GLU 40 Ca -0.00 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.54 2k3i h GLU 40 Cb 0.28 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2k3i h GLU 40 CO 0.01 0.18 0.55 0.93 -1.00 0.00 0.00 179.01 179.69 2k3i h GLU 41 N 0.29 0.26 0.07 2.33 4.39 -1.74 -0.36 114.58 119.81 2k3i h GLU 41 Ca 0.08 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2k3i h GLU 41 Cb -0.02 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2k3i h GLU 41 CO -0.03 0.17 -0.03 0.00 -1.16 0.00 0.00 179.01 177.96 2k3i h ALA 42 N 1.62 -0.10 -0.18 3.43 0.00 -1.29 -2.62 119.26 120.13 2k3i h ALA 42 Ca 0.41 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2k3i h ALA 42 Cb 1.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2k3i h ALA 42 CO -0.10 -0.17 -0.26 1.05 0.00 0.00 0.00 179.25 179.76 2k3i h GLU 43 N -0.87 0.33 -0.00 0.00 4.11 -1.14 -1.83 114.58 115.18 2k3i h GLU 43 Ca -0.01 -0.12 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 2k3i h GLU 43 Cb 0.61 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k3i h GLU 43 CO 0.02 0.58 -0.46 0.77 0.07 0.00 0.00 179.01 179.98 2k3i h SER 44 N 0.30 0.01 -0.23 3.06 0.02 -1.16 -2.82 113.55 112.72 2k3i h SER 44 Ca 0.04 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 2k3i h SER 44 Cb 0.63 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k3i h SER 44 CO 0.05 0.46 -0.39 0.15 -1.14 0.00 0.00 176.83 175.96 2k3i h PHE 45 N 0.00 0.83 0.00 3.45 3.57 -0.97 -3.06 116.94 120.77 2k3i h PHE 45 Ca -0.00 -0.29 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 2k3i h PHE 45 Cb 0.81 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 2k3i h PHE 45 CO 0.00 1.05 -0.04 1.98 -2.23 0.00 0.00 178.31 179.07 2k3i h MET 46 N 0.38 0.00 -0.10 1.11 4.05 -1.15 -2.76 114.93 116.46 2k3i h MET 46 Ca 0.02 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2k3i h MET 46 Cb 0.98 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2k3i h MET 46 CO 0.09 0.04 -0.01 1.15 0.23 0.00 0.00 176.91 178.41 2k3i h THR 47 N 0.00 0.92 0.00 -0.77 2.02 -1.39 -2.19 112.91 111.50 2k3i h THR 47 Ca -0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 2k3i h THR 47 Cb 0.12 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2k3i h THR 47 CO 0.00 0.00 -0.55 0.07 0.37 0.00 0.00 175.52 175.42 2k3i h LYS 48 N 0.02 0.00 -0.68 6.66 2.10 -1.63 -2.96 116.57 120.09 2k3i h LYS 48 Ca 0.05 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.73 2k3i h LYS 48 Cb 0.06 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.35 2k3i h LYS 48 CO -0.09 0.55 0.41 -0.07 -2.00 0.00 0.00 179.45 178.25 2k3i h LEU 49 N 0.00 0.67 -0.09 7.07 -0.00 -1.38 0.23 115.31 121.80 2k3i h LEU 49 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k3i h LEU 49 Cb 0.99 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2k3i h LEU 49 CO 0.07 0.46 0.06 0.11 -0.00 0.00 0.00 178.44 179.13 2k3i h LYS 50 N 0.80 0.11 -0.25 1.13 6.56 -1.24 -1.55 116.57 122.14 2k3i h LYS 50 Ca 0.28 -0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.72 2k3i h LYS 50 Cb 0.05 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 2k3i h LYS 50 CO -0.12 0.09 -0.41 0.93 -2.06 0.00 0.00 179.45 177.88 2k3i h GLU 51 N 0.10 0.59 -0.38 3.15 5.08 -1.40 -2.41 114.58 119.32 2k3i h GLU 51 Ca 0.03 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2k3i h GLU 51 Cb 0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k3i h GLU 51 CO -0.01 0.90 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.77 2k3i h LEU 52 N 0.49 0.61 -0.83 1.33 3.38 -0.45 -0.83 115.31 119.01 2k3i h LEU 52 Ca 0.04 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2k3i h LEU 52 Cb 0.93 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2k3i h LEU 52 CO 0.08 0.72 -0.05 0.00 0.09 0.00 0.00 178.44 179.28 2k3i h ALA 53 N 1.35 1.02 0.00 1.53 0.00 -1.02 0.22 119.26 122.36 2k3i h ALA 53 Ca 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2k3i h ALA 53 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k3i h ALA 53 CO 0.02 0.60 -0.38 0.00 0.00 0.00 0.00 179.25 179.49 2k3i h ALA 54 N 1.18 1.35 0.09 0.00 0.00 -0.91 -0.25 119.26 120.74 2k3i h ALA 54 Ca 0.14 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 2k3i h ALA 54 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k3i h ALA 54 CO 0.03 0.48 -1.22 0.00 0.00 0.00 0.00 179.25 178.54 2k3i h ALA 55 N 1.62 0.19 0.03 0.00 0.00 -0.69 -2.02 119.26 118.40 2k3i h ALA 55 Ca -0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 2k3i h ALA 55 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k3i h ALA 55 CO 0.05 1.07 -0.02 0.00 0.00 0.00 0.00 179.25 180.36 2k3i h ALA 56 N 0.69 -0.04 -0.02 0.00 0.00 -0.73 -3.39 119.26 115.77 2k3i h ALA 56 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k3i h ALA 56 Cb 1.93 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2k3i h ALA 56 CO 0.18 -0.05 -0.18 0.43 0.00 0.00 0.00 179.25 179.63 2k3i n SER 57 N -4.77 2.16 0.00 0.00 7.64 -0.12 -4.96 113.62 113.58 2k3i n SER 57 Ca -0.03 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.26 2k3i n SER 57 Cb 0.15 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.50 0.00 0.00 6.43 7.64 -0.76 -4.77 113.62 122.66 2k3i n SER 58 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2k3i n SER 58 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.00 0.00 -0.97 -0.43 0.00 -1.26 -4.49 120.51 113.36 2k3i n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3i n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k3i n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k3i n ASP 60 N 2.25 0.00 0.04 0.00 2.03 -1.26 -2.11 116.55 117.49 2k3i n ASP 60 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2k3i n ASP 60 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k3i h GLU 61 N 0.00 0.42 0.00 -0.67 4.81 -2.01 -3.48 114.58 113.65 2k3i h GLU 61 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2k3i h GLU 61 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k3i h GLU 61 CO 0.00 0.80 0.00 0.41 -0.73 0.00 0.00 179.01 179.49 2k3i n GLY 62 N 0.04 3.90 3.78 1.92 0.00 -0.90 -5.09 105.19 108.84 2k3i n GLY 62 Ca -0.02 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 2.46 -0.31 4.61 0.00 -1.26 -4.90 121.76 122.34 2k3i s ALA 63 Ca 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 51.96 52.02 2k3i s ALA 63 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2k3i s ALA 63 CO 0.00 -1.40 2.28 0.43 0.00 0.00 0.00 175.76 177.07 2k3i n SER 64 N -2.93 2.87 -4.19 0.00 7.64 -1.21 -4.85 113.62 110.95 2k3i n SER 64 Ca 0.09 0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 2k3i n SER 64 Cb 0.53 -1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 62.03 2k3i n SER 64 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k3i s VAL 65 N 9.36 2.28 -0.02 0.44 0.11 -1.26 -0.19 120.40 131.12 2k3i s VAL 65 Ca 1.01 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 59.23 2k3i s VAL 65 Cb -0.34 -1.94 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 2k3i s VAL 65 CO 0.34 0.53 -0.19 0.00 -3.33 0.00 0.00 175.10 172.45 2k3i s ALA 66 N 0.93 1.64 -0.01 1.54 0.00 0.69 -5.02 121.76 121.53 2k3i s ALA 66 Ca -0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2k3i s ALA 66 Cb -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2k3i s ALA 66 CO -0.04 0.38 0.02 1.52 0.00 0.00 0.00 175.76 177.64 2k3i s TYR 67 N -0.37 -0.01 -0.01 0.00 1.13 -1.26 -0.31 117.35 116.52 2k3i s TYR 67 Ca 0.05 0.02 0.05 0.00 -1.41 0.00 0.00 57.07 55.78 2k3i s TYR 67 Cb -0.08 -0.00 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 2k3i s TYR 67 CO -0.00 -0.02 -0.15 0.15 -2.51 0.00 0.00 175.55 173.02 2k3i s LYS 68 N -0.06 1.18 -0.29 -3.49 1.02 0.45 -4.98 119.74 113.57 2k3i s LYS 68 Ca -0.01 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.43 2k3i s LYS 68 Cb -0.01 -1.15 0.08 0.00 -0.52 0.00 0.00 37.83 36.24 2k3i s LYS 68 CO -0.00 0.31 0.03 0.42 -0.92 0.00 0.00 175.35 175.19 2k3i s ILE 69 N -0.40 1.50 -0.26 2.17 1.01 -1.26 -0.23 121.20 123.73 2k3i s ILE 69 Ca 0.05 -1.58 -0.14 0.00 0.00 0.00 0.00 60.65 58.98 2k3i s ILE 69 Cb -0.06 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2k3i s ILE 69 CO -0.00 -0.43 0.34 -0.75 0.00 0.00 0.00 174.94 174.10 2k3i s LYS 70 N 1.34 4.03 -0.81 2.79 2.20 -0.41 -4.95 119.74 123.93 2k3i s LYS 70 Ca 0.04 0.00 -0.26 0.00 -0.36 0.00 0.00 55.97 55.39 2k3i s LYS 70 Cb -0.18 -3.63 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2k3i s LYS 70 CO -0.13 -0.21 1.38 -0.51 -0.36 0.00 0.00 175.35 175.52 2k3i s ASP 71 N 1.53 6.17 0.62 1.43 1.01 -1.26 -1.73 116.67 124.44 2k3i s ASP 71 Ca 0.14 -0.66 0.00 0.00 0.71 0.00 0.00 52.55 52.74 2k3i s ASP 71 Cb -0.15 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.32 2k3i s ASP 71 CO 0.09 -1.81 0.71 0.18 0.21 0.00 0.00 175.17 174.56 2k3i n LEU 72 N 9.58 0.00 -4.48 1.23 4.77 -0.41 -5.01 117.00 122.67 2k3i n LEU 72 Ca 0.13 -1.55 -0.43 0.00 -0.03 0.00 0.00 56.01 54.13 2k3i n LEU 72 Cb 0.50 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2k3i n LEU 72 CO 0.69 -0.84 0.77 -1.61 -1.33 0.00 0.00 177.39 175.07 2k3i s GLU 73 N -4.32 3.18 0.00 3.23 8.01 -1.26 -3.96 118.70 123.58 2k3i s GLU 73 Ca 0.48 -0.62 0.00 0.00 0.01 0.00 0.00 54.97 54.84 2k3i s GLU 73 Cb -0.03 -4.17 0.00 0.00 -4.31 0.00 0.00 34.13 25.63 2k3i s GLU 73 CO 0.32 -1.72 0.00 0.41 0.01 0.00 0.00 175.26 174.28 2k3i n GLY 74 N 5.26 3.00 3.27 -1.39 0.00 -1.26 -4.97 105.19 109.11 2k3i n GLY 74 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2k3i n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3i n GLN 75 N -0.47 0.44 -4.10 1.61 10.64 -1.25 -4.75 117.38 119.49 2k3i n GLN 75 Ca 0.00 -3.39 -0.09 0.00 -1.83 0.00 0.00 57.00 51.69 2k3i n GLN 75 Cb 0.00 2.61 -0.10 0.00 -0.86 0.00 0.00 30.24 31.89 2k3i n GLN 75 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2k3i s VAL 76 N -3.32 0.39 -0.17 -0.39 -7.23 -0.40 -1.29 120.40 107.98 2k3i s VAL 76 Ca 0.37 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2k3i s VAL 76 Cb 0.02 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.62 2k3i s VAL 76 CO 0.26 -0.84 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.35 2k3i s GLU 77 N -3.39 3.17 -0.27 4.82 2.12 -0.71 -0.02 118.70 124.42 2k3i s GLU 77 Ca 0.04 -0.76 -0.14 0.00 0.36 0.00 0.00 54.97 54.47 2k3i s GLU 77 Cb 0.03 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 2k3i s GLU 77 CO -0.06 -0.09 0.34 -1.17 -0.54 0.00 0.00 175.26 173.74 2k3i s LEU 78 N 1.06 4.04 -0.28 2.70 1.98 -0.02 -1.29 118.68 126.87 2k3i s LEU 78 Ca -0.01 0.24 -0.07 0.00 -2.89 0.00 0.00 54.13 51.41 2k3i s LEU 78 Cb -0.14 -2.37 0.00 0.00 0.66 0.00 0.00 46.19 44.34 2k3i s LEU 78 CO -0.04 -0.15 0.07 -1.81 -1.89 0.00 0.00 176.35 172.53 2k3i s ASP 79 N 1.62 5.09 -0.16 3.68 1.01 0.68 -2.06 116.67 126.53 2k3i s ASP 79 Ca 0.14 -0.59 -0.03 0.00 0.71 0.00 0.00 52.55 52.78 2k3i s ASP 79 Cb -0.16 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 2k3i s ASP 79 CO 0.10 -0.15 -0.04 0.00 0.21 0.00 0.00 175.17 175.28 2k3i s ALA 80 N 1.53 2.94 -0.27 5.23 0.00 -0.19 -0.41 121.76 130.59 2k3i s ALA 80 Ca 0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2k3i s ALA 80 Cb -0.17 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 21.49 2k3i s ALA 80 CO 0.02 0.11 0.07 0.00 0.00 0.00 0.00 175.76 175.97 2k3i s ALA 81 N 0.54 1.27 -0.12 0.00 0.00 0.57 -1.19 121.76 122.84 2k3i s ALA 81 Ca -0.03 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 2k3i s ALA 81 Cb -0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2k3i s ALA 81 CO 0.03 -1.48 -0.11 -0.06 0.00 0.00 0.00 175.76 174.13 2k3i s PHE 82 N 1.74 2.84 -0.35 0.00 0.40 -0.27 -0.22 117.98 122.12 2k3i s PHE 82 Ca 0.05 -0.51 -0.08 0.00 -0.60 0.00 0.00 56.93 55.79 2k3i s PHE 82 Cb -0.17 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.56 2k3i s PHE 82 CO -0.20 -0.12 0.14 0.99 0.70 0.00 0.00 175.22 176.72 2k3i s THR 83 N 0.20 4.00 0.45 0.64 2.01 0.73 0.12 115.64 123.80 2k3i s THR 83 Ca -0.07 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 60.94 2k3i s THR 83 Cb -0.15 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.12 2k3i s THR 83 CO 0.05 -0.21 0.61 -0.36 -0.69 0.00 0.00 174.62 174.01 2k3i s PHE 84 N 1.44 2.53 -0.12 4.92 0.08 -1.23 -3.29 117.98 122.31 2k3i s PHE 84 Ca -0.01 -0.47 -0.17 0.00 0.12 0.00 0.00 56.93 56.41 2k3i s PHE 84 Cb -0.20 -2.34 -0.26 0.00 -0.57 0.00 0.00 43.02 39.66 2k3i s PHE 84 CO 0.04 -0.55 0.52 0.77 -0.10 0.00 0.00 175.22 175.90 2k3i h SER 85 N 0.56 0.31 -3.67 1.36 0.02 -1.98 -3.47 113.55 106.68 2k3i h SER 85 Ca -0.38 -0.82 -0.67 0.00 -0.84 0.00 0.00 61.79 59.07 2k3i h SER 85 Cb 1.28 -0.10 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 2k3i h SER 85 CO 0.45 1.57 -0.73 0.00 -1.14 0.00 0.00 176.83 176.98 2k3i h GLN 87 N 4.41 0.00 -0.75 0.00 4.15 -1.91 -2.13 115.11 118.88 2k3i h GLN 87 Ca -0.48 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.01 2k3i h GLN 87 Cb 1.16 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.81 2k3i h GLN 87 CO 0.53 0.37 0.49 0.00 -1.93 0.00 0.00 178.83 178.28 2k3i h ALA 88 N 1.63 1.73 -0.05 3.38 0.00 -1.99 0.70 119.26 124.65 2k3i h ALA 88 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2k3i h ALA 88 Cb 0.72 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k3i h ALA 88 CO 0.05 0.14 -0.75 0.93 0.00 0.00 0.00 179.25 179.62 2k3i h GLU 89 N 0.74 0.33 -0.05 0.00 5.08 -1.76 -2.69 114.58 116.23 2k3i h GLU 89 Ca 0.33 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k3i h GLU 89 Cb 0.33 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k3i h GLU 89 CO -0.12 0.94 -0.02 1.98 -1.00 0.00 0.00 179.01 180.80 2k3i h MET 90 N 0.22 0.11 -0.30 2.33 4.05 -0.89 -2.20 114.93 118.25 2k3i h MET 90 Ca -0.03 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 2k3i h MET 90 Cb 1.33 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.12 2k3i h MET 90 CO 0.12 0.47 -0.01 -0.84 0.23 0.00 0.00 176.91 176.88 2k3i h ILE 91 N -0.26 1.26 -0.06 1.77 3.07 -0.99 -2.06 117.51 120.24 2k3i h ILE 91 Ca 0.01 -0.96 -0.04 0.00 1.55 0.00 0.00 64.86 65.43 2k3i h ILE 91 Cb 0.43 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.27 2k3i h ILE 91 CO 0.01 0.31 -0.13 0.16 -1.05 0.00 0.00 178.15 177.45 2k3i h ILE 92 N 0.32 1.13 0.14 0.16 3.07 -1.54 -1.17 117.51 119.61 2k3i h ILE 92 Ca 0.08 -0.58 -0.01 0.00 1.55 0.00 0.00 64.86 65.90 2k3i h ILE 92 Cb 0.45 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 2k3i h ILE 92 CO 0.02 0.17 -0.07 0.15 -1.05 0.00 0.00 178.15 177.38 2k3i h PHE 93 N 0.09 -0.17 0.00 0.16 3.57 -1.01 -1.68 116.94 117.90 2k3i h PHE 93 Ca 0.02 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 2k3i h PHE 93 Cb 0.28 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2k3i h PHE 93 CO 0.00 0.17 -0.57 1.05 -2.23 0.00 0.00 178.31 176.72 2k3i h GLU 94 N -0.53 0.00 -0.40 1.11 -0.00 -1.18 -2.56 114.58 111.02 2k3i h GLU 94 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.20 2k3i h GLU 94 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 2k3i h GLU 94 CO 0.03 0.57 -0.32 -0.07 -0.00 0.00 0.00 179.01 179.23 2k3i h LEU 95 N 0.00 0.96 -1.59 3.06 3.38 -1.24 -2.98 115.31 116.90 2k3i h LEU 95 Ca -0.01 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2k3i h LEU 95 Cb 1.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2k3i h LEU 95 CO 0.07 1.21 -0.14 0.28 0.09 0.00 0.00 178.44 179.95 2k3i h SER 96 N 0.73 0.00 -0.12 -0.43 0.02 -1.06 -2.68 113.55 110.02 2k3i h SER 96 Ca 0.07 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2k3i h SER 96 Cb 0.90 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 2k3i h SER 96 CO 0.08 0.14 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.69 2k3i h LEU 97 N 0.00 -0.46 0.02 5.07 3.38 -1.30 -0.69 115.31 121.33 2k3i h LEU 97 Ca -0.00 0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 2k3i h LEU 97 Cb 0.51 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.49 2k3i h LEU 97 CO 0.02 -0.20 -1.15 0.08 0.09 0.00 0.00 178.44 177.29 2k3i h ARG 98 N -0.19 0.47 0.00 1.13 -0.00 -1.65 -3.29 114.38 110.85 2k3i h ARG 98 Ca 0.09 -0.62 0.00 0.00 -0.00 0.00 0.00 59.98 59.45 2k3i h ARG 98 Cb 0.32 0.20 0.00 0.00 -0.00 0.00 0.00 29.97 30.49 2k3i h ARG 98 CO -0.23 1.25 0.00 0.45 -0.00 0.00 0.00 179.97 181.44 2k3i n SER 99 N -3.71 0.36 -0.05 0.08 2.88 -1.02 -0.44 113.62 111.72 2k3i n SER 99 Ca -0.10 0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 57.89 2k3i n SER 99 Cb 0.95 -0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 2k3i n SER 99 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k3i h LEU 100 N 0.00 -0.01 -0.12 2.46 5.85 -1.19 -3.31 115.31 118.99 2k3i h LEU 100 Ca 0.00 -0.80 -0.23 0.00 0.84 0.00 0.00 57.88 57.70 2k3i h LEU 100 Cb 0.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2k3i h LEU 100 CO 0.00 0.81 -1.00 0.00 -0.34 0.00 0.00 178.44 177.90 2k3i h ALA 101 N 0.14 0.35 -1.84 1.25 0.00 -1.66 -3.35 119.26 114.15 2k3i h ALA 101 Ca -0.00 -0.78 -0.78 0.00 0.00 0.00 0.00 54.91 53.35 2k3i h ALA 101 Cb 0.80 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.31 2k3i h ALA 101 CO 0.00 0.93 1.06 1.28 0.00 0.00 0.00 179.25 182.52 2k3i n LEU 102 N -3.62 6.02 0.13 0.00 4.32 0.41 -4.76 117.00 119.50 2k3i n LEU 102 Ca -0.05 -4.91 0.03 0.00 -0.02 0.00 0.00 56.01 51.05 2k3i n LEU 102 Cb 0.88 -1.43 0.41 0.00 -1.62 0.00 0.00 43.42 41.66 2k3i n LEU 102 CO 0.50 1.36 0.91 -0.33 -1.22 0.00 0.00 177.39 178.61 2k3i h GLU 103 N 6.13 0.21 -5.91 3.23 5.08 -1.71 -3.36 114.58 118.26 2k3i h GLU 103 Ca 0.26 -0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.98 2k3i h GLU 103 Cb 0.73 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.84 2k3i h GLU 103 CO 1.29 0.34 0.74 -1.58 -1.00 0.00 0.00 179.01 178.81 2k3i s HIS 104 N -4.76 2.57 0.45 4.33 2.46 -1.26 -5.01 115.29 114.07 2k3i s HIS 104 Ca -0.05 -0.21 -0.24 0.00 0.47 0.00 0.00 55.06 55.03 2k3i s HIS 104 Cb 0.16 -4.37 -0.07 0.00 -0.13 0.00 0.00 32.58 28.16 2k3i s HIS 104 CO 0.73 -1.72 1.22 -1.01 -2.47 0.00 0.00 174.74 171.49 2k3i s HIS 105 N 4.64 2.81 -0.06 3.88 3.76 -1.26 -5.03 115.29 124.03 2k3i s HIS 105 Ca 0.29 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.66 2k3i s HIS 105 Cb -0.12 -3.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.03 2k3i s HIS 105 CO 0.15 -1.80 0.10 -1.01 -0.85 0.00 0.00 174.74 171.33 2k3i s HIS 106 N -1.43 3.41 -0.30 1.40 3.76 -1.26 -5.02 115.29 115.85 2k3i s HIS 106 Ca 0.62 0.34 0.07 0.00 -0.15 0.00 0.00 55.06 55.94 2k3i s HIS 106 Cb -0.33 -1.83 0.46 0.00 1.11 0.00 0.00 32.58 31.99 2k3i s HIS 106 CO 0.40 0.62 1.18 0.72 -0.85 0.00 0.00 174.74 176.81 2k3i n HIS 107 N 1.58 2.76 0.00 1.40 8.25 -1.26 -4.85 115.22 123.10 2k3i n HIS 107 Ca -0.16 -2.29 0.00 0.00 -0.26 0.00 0.00 57.72 55.01 2k3i n HIS 107 Cb 0.54 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2k3i n HIS 107 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k3i n HIS 108 N -0.69 -0.98 0.00 4.41 -0.00 -1.26 -5.30 115.22 111.40 2k3i n HIS 108 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2k3i n HIS 108 Cb 0.94 0.20 0.00 0.00 -0.00 0.00 0.00 29.99 31.13 2k3i n HIS 108 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92