#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 3.72 -0.24 3.04 0.00 -1.26 -4.73 121.76 122.29 2k3i s ALA 2 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 2k3i s ALA 2 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.99 2k3i s ALA 2 CO 0.00 0.26 0.12 -1.33 0.00 0.00 0.00 175.76 174.81 2k3i n MET 3 N 3.14 -3.91 -0.07 0.00 2.00 -1.26 -5.04 117.12 111.98 2k3i n MET 3 Ca -0.16 3.04 -0.12 0.00 0.00 0.00 0.00 57.70 60.46 2k3i n MET 3 Cb 0.53 -5.10 -0.04 0.00 0.00 0.00 0.00 33.22 28.61 2k3i n MET 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2k3i n LYS 4 N 1.15 0.40 -3.75 0.03 5.02 -1.26 -5.03 118.16 114.72 2k3i n LYS 4 Ca -0.20 0.17 -0.15 0.00 -2.02 0.00 0.00 58.31 56.10 2k3i n LYS 4 Cb 0.31 -1.20 -0.16 0.00 -0.02 0.00 0.00 35.03 33.97 2k3i n LYS 4 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k3i s ASP 5 N -6.23 0.21 0.08 4.39 1.11 -1.26 -5.15 116.67 109.83 2k3i s ASP 5 Ca -0.24 0.12 0.05 0.00 0.18 0.00 0.00 52.55 52.67 2k3i s ASP 5 Cb 0.06 0.00 -0.03 0.00 1.07 0.00 0.00 42.92 44.01 2k3i s ASP 5 CO 0.33 -0.16 -0.13 0.68 1.18 0.00 0.00 175.17 177.07 2k3i s VAL 6 N 1.32 1.10 -0.28 -1.27 -7.23 -1.26 -5.13 120.40 107.65 2k3i s VAL 6 Ca -0.06 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2k3i s VAL 6 Cb -0.12 -1.17 0.08 0.00 0.56 0.00 0.00 36.38 35.73 2k3i s VAL 6 CO -0.04 -0.31 0.03 0.54 -0.31 0.00 0.00 175.10 175.01 2k3i s VAL 7 N -1.60 1.46 -0.35 1.32 0.11 -1.26 -5.09 120.40 114.99 2k3i s VAL 7 Ca 0.01 -1.54 -0.22 0.00 -2.93 0.00 0.00 61.98 57.30 2k3i s VAL 7 Cb -0.08 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 2k3i s VAL 7 CO 0.02 -0.42 0.72 -0.62 -3.33 0.00 0.00 175.10 171.47 2k3i s ASP 8 N 1.36 6.51 -0.49 3.54 2.15 -1.26 -5.01 116.67 123.48 2k3i s ASP 8 Ca 0.04 0.31 -0.21 0.00 0.43 0.00 0.00 52.55 53.12 2k3i s ASP 8 Cb -0.18 -2.37 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2k3i s ASP 8 CO -0.13 -0.65 0.70 -0.54 -0.17 0.00 0.00 175.17 174.37 2k3i s LYS 9 N 2.91 3.23 -0.34 4.34 1.02 -1.26 -5.02 119.74 124.62 2k3i s LYS 9 Ca 0.28 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.60 2k3i s LYS 9 Cb -0.14 -4.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.14 2k3i s LYS 9 CO 0.15 -1.19 0.22 0.00 -0.92 0.00 0.00 175.35 173.62 2k3i s SER 11 N 1.68 6.44 -0.92 0.00 1.04 -1.26 -4.96 113.70 115.72 2k3i s SER 11 Ca 0.05 -1.44 -0.25 0.00 0.48 0.00 0.00 55.95 54.80 2k3i s SER 11 Cb -0.18 -2.48 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 2k3i s SER 11 CO 0.09 -1.38 1.98 -0.89 0.98 0.00 0.00 173.24 174.02 2k3i s THR 12 N 4.08 3.42 -0.44 2.02 2.01 -1.26 -4.52 115.64 120.95 2k3i s THR 12 Ca 0.35 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.03 2k3i s THR 12 Cb -0.06 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2k3i s THR 12 CO -0.03 -0.87 0.39 0.29 -0.69 0.00 0.00 174.62 173.70 2k3i n LYS 13 N 8.80 3.53 -2.03 4.92 5.02 -1.26 -4.85 118.16 132.30 2k3i n LYS 13 Ca 0.41 -0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 56.02 2k3i n LYS 13 Cb 0.47 -0.88 -0.00 0.00 -0.02 0.00 0.00 35.03 34.59 2k3i n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3i n GLY 14 N 0.91 4.81 1.69 0.72 0.00 -1.26 -4.55 105.19 107.50 2k3i n GLY 14 Ca 0.02 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 44.16 2k3i n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3i h ALA 16 N 3.52 -0.00 -3.39 0.00 0.00 -2.03 -3.47 119.26 113.89 2k3i h ALA 16 Ca 0.00 -0.97 -0.47 0.00 0.00 0.00 0.00 54.91 53.48 2k3i h ALA 16 Cb 1.88 0.24 -0.21 0.00 0.00 0.00 0.00 17.79 19.71 2k3i h ALA 16 CO 0.44 0.86 -0.79 0.96 0.00 0.00 0.00 179.25 180.72 2k3i s ILE 17 N -2.60 1.38 -0.76 0.00 -5.25 -1.26 -5.09 121.20 107.61 2k3i s ILE 17 Ca -0.10 -1.48 -0.08 0.00 -0.99 0.00 0.00 60.65 57.99 2k3i s ILE 17 Cb 0.05 -1.34 0.20 0.00 2.95 0.00 0.00 42.46 44.31 2k3i s ILE 17 CO 0.91 -0.20 0.64 -0.62 -1.79 0.00 0.00 174.94 173.88 2k3i s ASP 18 N -1.95 6.09 0.22 4.36 2.15 -1.26 -4.75 116.67 121.53 2k3i s ASP 18 Ca 0.03 -2.86 0.00 0.00 0.43 0.00 0.00 52.55 50.15 2k3i s ASP 18 Cb -0.09 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2k3i s ASP 18 CO 0.03 -0.45 0.00 -0.38 -0.17 0.00 0.00 175.17 174.20 2k3i n ILE 19 N 3.61 0.36 0.00 4.11 5.41 -1.26 -5.03 119.36 126.57 2k3i n ILE 19 Ca 0.12 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.99 2k3i n ILE 19 Cb 0.42 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 2k3i n ILE 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k3i n GLY 20 N 2.12 3.90 1.62 7.39 0.00 -1.26 -5.06 105.19 113.89 2k3i n GLY 20 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k3i n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3i n THR 21 N 0.00 -8.02 -3.27 2.61 -1.04 -1.26 -5.00 114.28 98.30 2k3i n THR 21 Ca 0.00 1.69 -0.37 0.00 -2.04 0.00 0.00 64.05 63.33 2k3i n THR 21 Cb 0.00 -4.46 -0.06 0.00 -1.82 0.00 0.00 70.33 63.99 2k3i n THR 21 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2k3i s VAL 22 N -0.30 4.74 -0.62 12.58 -7.23 -1.26 -5.03 120.40 123.28 2k3i s VAL 22 Ca 0.00 1.13 -0.23 0.00 -1.81 0.00 0.00 61.98 61.07 2k3i s VAL 22 Cb 0.00 -3.85 0.06 0.00 0.56 0.00 0.00 36.38 33.14 2k3i s VAL 22 CO 0.00 0.43 0.95 -0.63 -0.31 0.00 0.00 175.10 175.54 2k3i s ILE 23 N -1.26 4.35 -0.02 -0.62 1.09 -1.26 -4.94 121.20 118.54 2k3i s ILE 23 Ca 0.33 -0.14 -0.01 0.00 -1.10 0.00 0.00 60.65 59.73 2k3i s ILE 23 Cb -0.18 -4.63 0.01 0.00 -1.06 0.00 0.00 42.46 36.61 2k3i s ILE 23 CO 0.19 -1.33 0.04 -0.62 -0.10 0.00 0.00 174.94 173.13 2k3i s ASP 24 N 3.37 -0.02 -0.12 3.58 2.15 -1.26 -5.14 116.67 119.23 2k3i s ASP 24 Ca 0.25 0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.33 2k3i s ASP 24 Cb -0.15 0.05 -0.00 0.00 -0.30 0.00 0.00 42.92 42.51 2k3i s ASP 24 CO 0.13 -0.05 -0.19 0.20 -0.17 0.00 0.00 175.17 175.09 2k3i s ASN 25 N 0.38 3.49 0.00 -0.34 -0.87 -1.26 -4.92 114.94 111.41 2k3i s ASN 25 Ca -0.03 -0.47 0.00 0.00 -1.57 0.00 0.00 52.86 50.79 2k3i s ASN 25 Cb -0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 41.25 39.68 2k3i s ASN 25 CO -0.01 0.15 0.00 -0.67 -2.57 0.00 0.00 177.10 173.99 2k3i n ASP 26 N 3.62 0.00 -2.72 -1.22 -0.08 -1.26 -5.17 116.55 109.73 2k3i n ASP 26 Ca -0.19 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.96 2k3i n ASP 26 Cb 0.53 0.10 -0.04 0.00 2.34 0.00 0.00 41.12 44.05 2k3i n ASP 26 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k3i n ASN 27 N -1.68 -0.94 -1.34 1.67 3.02 -1.26 -5.03 115.26 109.70 2k3i n ASN 27 Ca 0.00 -2.65 0.12 0.00 -0.03 0.00 0.00 54.58 52.02 2k3i n ASN 27 Cb 0.00 1.85 0.32 0.00 -0.61 0.00 0.00 39.78 41.34 2k3i n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3i s THR 29 N -1.02 5.27 -0.36 0.00 2.01 -1.25 -0.42 115.64 119.86 2k3i s THR 29 Ca 0.49 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.65 2k3i s THR 29 Cb 0.25 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 2k3i s THR 29 CO 0.33 0.24 0.34 -0.44 -0.69 0.00 0.00 174.62 174.40 2k3i s SER 30 N 1.57 6.14 -0.18 3.53 0.01 0.17 -4.87 113.70 120.07 2k3i s SER 30 Ca 0.10 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.84 2k3i s SER 30 Cb -0.15 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2k3i s SER 30 CO 0.09 -0.37 0.07 -0.54 0.41 0.00 0.00 173.24 172.91 2k3i s LYS 31 N 1.92 4.01 -0.09 12.44 -0.14 -1.25 -0.71 119.74 135.92 2k3i s LYS 31 Ca 0.10 -0.32 -0.01 0.00 -1.36 0.00 0.00 55.97 54.38 2k3i s LYS 31 Cb -0.17 -3.25 0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2k3i s LYS 31 CO 0.11 0.28 -0.03 0.12 -0.76 0.00 0.00 175.35 175.08 2k3i s PHE 32 N 0.35 1.00 -0.14 3.18 2.19 0.12 -4.97 117.98 119.71 2k3i s PHE 32 Ca 0.04 -0.40 0.00 0.00 0.33 0.00 0.00 56.93 56.90 2k3i s PHE 32 Cb -0.12 -0.97 0.03 0.00 -1.31 0.00 0.00 43.02 40.65 2k3i s PHE 32 CO -0.00 -0.40 -0.11 -1.12 1.83 0.00 0.00 175.22 175.42 2k3i s SER 33 N 1.82 2.53 -0.04 6.13 0.01 -1.26 -0.25 113.70 122.63 2k3i s SER 33 Ca 0.04 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 56.76 2k3i s SER 33 Cb -0.12 -1.03 0.02 0.00 0.21 0.00 0.00 66.02 65.09 2k3i s SER 33 CO -0.06 -0.09 0.22 -0.60 0.41 0.00 0.00 173.24 173.12 2k3i s ARG 34 N 1.58 0.44 0.18 12.44 3.52 0.25 -4.99 118.95 132.37 2k3i s ARG 34 Ca 0.04 -0.02 -0.22 0.00 -0.13 0.00 0.00 55.73 55.40 2k3i s ARG 34 Cb -0.13 0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.37 2k3i s ARG 34 CO -0.09 -0.09 0.74 -0.06 -0.81 0.00 0.00 175.30 174.98 2k3i s PHE 35 N -0.69 3.79 0.18 5.12 0.08 -1.26 -0.15 117.98 125.05 2k3i s PHE 35 Ca -0.08 1.50 0.07 0.00 0.12 0.00 0.00 56.93 58.54 2k3i s PHE 35 Cb -0.04 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 2k3i s PHE 35 CO 0.02 0.44 -0.13 -0.06 -0.10 0.00 0.00 175.22 175.39 2k3i s PHE 36 N -1.31 1.54 0.18 0.36 0.08 0.71 -4.93 117.98 114.62 2k3i s PHE 36 Ca 0.38 -0.64 -0.10 0.00 0.12 0.00 0.00 56.93 56.69 2k3i s PHE 36 Cb -0.20 -0.74 0.08 0.00 -0.57 0.00 0.00 43.02 41.60 2k3i s PHE 36 CO 0.23 0.25 1.70 0.00 -0.10 0.00 0.00 175.22 177.30 2k3i h ALA 37 N 2.68 0.84 -2.24 5.36 0.00 -1.89 0.70 119.26 124.70 2k3i h ALA 37 Ca -0.38 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 2k3i h ALA 37 Cb 1.21 -0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 2k3i h ALA 37 CO 0.62 0.54 -0.69 0.95 0.00 0.00 0.00 179.25 180.67 2k3i s THR 38 N -5.34 0.61 0.47 0.00 -4.23 -1.26 -4.01 115.64 101.89 2k3i s THR 38 Ca -0.12 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 58.59 2k3i s THR 38 Cb 0.14 -1.69 0.28 0.00 1.34 0.00 0.00 72.50 72.56 2k3i s THR 38 CO 0.83 -0.86 2.10 -0.09 -0.54 0.00 0.00 174.62 176.06 2k3i h ARG 39 N 2.97 0.23 -0.47 3.99 2.43 -1.91 -1.56 114.38 120.07 2k3i h ARG 39 Ca -0.35 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.87 2k3i h ARG 39 Cb 1.16 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 2k3i h ARG 39 CO 0.65 0.15 0.14 0.93 -1.51 0.00 0.00 179.97 180.33 2k3i h GLU 40 N 0.24 0.29 -0.28 0.20 5.08 -1.99 0.11 114.58 118.23 2k3i h GLU 40 Ca 0.08 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2k3i h GLU 40 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k3i h GLU 40 CO -0.02 0.19 0.20 0.93 -1.00 0.00 0.00 179.01 179.31 2k3i h GLU 41 N 0.29 0.08 -0.00 2.33 4.39 -1.69 0.17 114.58 120.15 2k3i h GLU 41 Ca 0.23 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.78 2k3i h GLU 41 Cb 0.27 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2k3i h GLU 41 CO -0.26 0.05 -0.56 0.00 -1.16 0.00 0.00 179.01 177.08 2k3i h ALA 42 N 1.86 0.07 -0.51 3.43 0.00 -0.81 -1.92 119.26 121.38 2k3i h ALA 42 Ca 0.13 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k3i h ALA 42 Cb 0.42 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k3i h ALA 42 CO -0.01 0.32 0.33 0.93 0.00 0.00 0.00 179.25 180.82 2k3i h GLU 43 N -0.15 0.66 0.00 0.00 4.39 -0.08 -1.57 114.58 117.84 2k3i h GLU 43 Ca -0.07 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2k3i h GLU 43 Cb 1.28 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2k3i h GLU 43 CO 0.11 0.44 -0.26 0.77 -1.16 0.00 0.00 179.01 178.91 2k3i h SER 44 N 0.68 0.00 0.26 1.42 0.02 -0.74 -2.49 113.55 112.70 2k3i h SER 44 Ca 0.19 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.94 2k3i h SER 44 Cb -0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2k3i h SER 44 CO -0.04 0.26 -0.78 0.15 -1.14 0.00 0.00 176.83 175.27 2k3i h PHE 45 N 0.00 0.58 0.00 3.45 3.57 -0.67 -3.11 116.94 120.75 2k3i h PHE 45 Ca -0.00 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 2k3i h PHE 45 Cb 0.52 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2k3i h PHE 45 CO 0.00 1.05 -0.17 1.98 -2.23 0.00 0.00 178.31 178.94 2k3i h MET 46 N 0.27 0.00 -0.23 1.11 4.05 -0.86 -3.15 114.93 116.12 2k3i h MET 46 Ca -0.04 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.42 2k3i h MET 46 Cb 1.38 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.14 2k3i h MET 46 CO 0.14 0.17 -0.00 1.15 0.23 0.00 0.00 176.91 178.60 2k3i h THR 47 N 0.00 0.83 0.00 -0.77 2.02 -1.44 -1.11 112.91 112.45 2k3i h THR 47 Ca -0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 2k3i h THR 47 Cb 0.53 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2k3i h THR 47 CO 0.02 0.01 -0.58 0.07 0.37 0.00 0.00 175.52 175.42 2k3i h LYS 48 N 0.07 0.00 -0.92 6.66 2.10 -1.71 -2.98 116.57 119.80 2k3i h LYS 48 Ca 0.11 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 2k3i h LYS 48 Cb 0.14 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.43 2k3i h LYS 48 CO -0.19 0.58 0.54 -0.07 -2.00 0.00 0.00 179.45 178.31 2k3i h LEU 49 N 0.00 1.11 -0.22 7.07 -0.00 -1.36 -1.40 115.31 120.51 2k3i h LEU 49 Ca -0.01 -0.08 0.05 0.00 -0.00 0.00 0.00 57.88 57.85 2k3i h LEU 49 Cb 1.03 -0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 41.35 2k3i h LEU 49 CO 0.08 0.86 -0.12 0.11 -0.00 0.00 0.00 178.44 179.36 2k3i h LYS 50 N 1.27 -0.10 -0.31 1.13 1.57 -1.07 0.22 116.57 119.27 2k3i h LYS 50 Ca 0.33 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 2k3i h LYS 50 Cb -0.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2k3i h LYS 50 CO -0.06 -0.07 -0.29 0.93 -0.57 0.00 0.00 179.45 179.40 2k3i h GLU 51 N -0.10 0.74 -0.70 3.15 5.08 -1.57 -3.13 114.58 118.06 2k3i h GLU 51 Ca 0.12 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2k3i h GLU 51 Cb 0.29 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2k3i h GLU 51 CO -0.29 1.00 0.31 -0.07 -1.00 0.00 0.00 179.01 178.97 2k3i h LEU 52 N 0.50 0.93 -0.52 1.33 3.38 -0.98 -2.07 115.31 117.89 2k3i h LEU 52 Ca 0.05 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k3i h LEU 52 Cb 0.86 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2k3i h LEU 52 CO 0.07 0.82 0.34 0.00 0.09 0.00 0.00 178.44 179.77 2k3i h ALA 53 N 1.15 0.66 -0.37 1.53 0.00 -0.97 0.16 119.26 121.42 2k3i h ALA 53 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2k3i h ALA 53 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k3i h ALA 53 CO -0.03 0.11 0.15 0.00 0.00 0.00 0.00 179.25 179.48 2k3i h ALA 54 N 1.19 0.48 -0.36 0.00 0.00 -1.45 -2.85 119.26 116.26 2k3i h ALA 54 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2k3i h ALA 54 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2k3i h ALA 54 CO -0.04 0.08 -0.37 0.00 0.00 0.00 0.00 179.25 178.91 2k3i h ALA 55 N 0.99 0.65 -0.42 0.00 0.00 -1.08 0.19 119.26 119.59 2k3i h ALA 55 Ca 0.12 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k3i h ALA 55 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2k3i h ALA 55 CO -0.01 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.14 2k3i h ALA 56 N 0.86 0.53 0.12 0.00 0.00 -0.62 -3.13 119.26 117.03 2k3i h ALA 56 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.65 2k3i h ALA 56 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k3i h ALA 56 CO 0.09 -0.11 -1.72 1.03 0.00 0.00 0.00 179.25 178.54 2k3i h SER 57 N 0.47 0.40 0.00 0.00 0.87 -1.50 -3.46 113.55 110.33 2k3i h SER 57 Ca 0.18 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2k3i h SER 57 Cb 0.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2k3i h SER 57 CO -0.10 1.57 0.00 -1.20 -0.53 0.00 0.00 176.83 176.57 2k3i n SER 58 N -3.44 -3.09 -1.85 6.23 7.64 0.67 -4.84 113.62 114.95 2k3i n SER 58 Ca -0.22 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.49 2k3i n SER 58 Cb 1.05 -2.25 0.05 0.00 -1.01 0.00 0.00 64.21 62.05 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 1.00 4.95 -0.30 -0.43 0.00 -1.26 -4.91 120.51 119.56 2k3i n ALA 59 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.78 2k3i n ALA 59 Cb 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 0.20 0.00 -0.18 0.00 8.00 -1.26 -3.60 116.55 119.70 2k3i n ASP 60 Ca 0.31 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.74 2k3i n ASP 60 Cb 0.67 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.87 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k3i h GLU 61 N 0.00 0.96 0.00 -1.24 4.39 -1.92 -3.47 114.58 113.31 2k3i h GLU 61 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2k3i h GLU 61 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2k3i h GLU 61 CO 0.00 0.92 0.00 0.41 -1.16 0.00 0.00 179.01 179.18 2k3i n GLY 62 N -0.60 1.63 3.14 -3.84 0.00 -1.24 -4.65 105.19 99.63 2k3i n GLY 62 Ca 0.03 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.00 -0.51 -0.08 4.61 0.00 -1.26 -4.60 121.76 118.92 2k3i s ALA 63 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 2k3i s ALA 63 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2k3i s ALA 63 CO 0.00 -0.18 1.31 -1.12 0.00 0.00 0.00 175.76 175.76 2k3i s SER 64 N -0.80 6.94 -0.31 0.00 0.01 -0.83 -4.78 113.70 113.93 2k3i s SER 64 Ca -0.09 1.88 -0.11 0.00 1.31 0.00 0.00 55.95 58.95 2k3i s SER 64 Cb -0.05 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2k3i s SER 64 CO 0.02 -0.70 0.18 0.54 0.41 0.00 0.00 173.24 173.69 2k3i s VAL 65 N 2.81 4.92 -0.48 3.43 0.11 -1.26 -0.07 120.40 129.85 2k3i s VAL 65 Ca 0.59 -0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 2k3i s VAL 65 Cb -0.26 -3.47 0.13 0.00 -1.53 0.00 0.00 36.38 31.25 2k3i s VAL 65 CO 0.21 0.10 0.29 0.00 -3.33 0.00 0.00 175.10 172.37 2k3i s ALA 66 N 1.67 3.31 -0.13 1.54 0.00 0.35 -4.98 121.76 123.51 2k3i s ALA 66 Ca 0.06 -2.78 -0.02 0.00 0.00 0.00 0.00 51.96 49.21 2k3i s ALA 66 Cb -0.17 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 2k3i s ALA 66 CO 0.08 -1.91 -0.05 1.52 0.00 0.00 0.00 175.76 175.40 2k3i s TYR 67 N 0.75 2.99 -0.11 0.00 -0.85 -1.26 -0.51 117.35 118.35 2k3i s TYR 67 Ca 0.11 -0.23 -0.02 0.00 -0.52 0.00 0.00 57.07 56.41 2k3i s TYR 67 Cb -0.22 -1.88 -0.03 0.00 0.38 0.00 0.00 41.96 40.21 2k3i s TYR 67 CO -0.04 0.06 -0.04 0.15 -1.52 0.00 0.00 175.55 174.16 2k3i s LYS 68 N 0.04 3.26 -0.27 -3.49 1.02 0.21 -4.97 119.74 115.53 2k3i s LYS 68 Ca -0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 2k3i s LYS 68 Cb -0.13 -2.79 0.08 0.00 -0.52 0.00 0.00 37.83 34.47 2k3i s LYS 68 CO 0.03 0.46 0.06 0.42 -0.92 0.00 0.00 175.35 175.40 2k3i s ILE 69 N -0.24 0.89 -0.31 2.17 1.01 -1.26 -0.70 121.20 122.76 2k3i s ILE 69 Ca 0.04 -1.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 2k3i s ILE 69 Cb -0.13 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2k3i s ILE 69 CO 0.02 -0.46 0.28 -0.75 0.00 0.00 0.00 174.94 174.03 2k3i s LYS 70 N 1.64 3.75 -0.59 2.79 2.47 -0.96 -4.94 119.74 123.90 2k3i s LYS 70 Ca 0.04 -0.36 -0.27 0.00 -1.56 0.00 0.00 55.97 53.82 2k3i s LYS 70 Cb -0.17 -3.73 -0.01 0.00 -1.46 0.00 0.00 37.83 32.46 2k3i s LYS 70 CO -0.17 -0.35 1.68 -0.51 0.16 0.00 0.00 175.35 176.16 2k3i s ASP 71 N 1.72 5.63 0.35 1.43 1.01 -1.26 -2.47 116.67 123.08 2k3i s ASP 71 Ca 0.09 0.33 0.01 0.00 0.71 0.00 0.00 52.55 53.69 2k3i s ASP 71 Cb -0.16 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.26 2k3i s ASP 71 CO 0.11 -2.10 0.25 0.18 0.21 0.00 0.00 175.17 173.82 2k3i n LEU 72 N 11.38 0.00 -4.39 1.23 4.77 -0.10 -5.01 117.00 124.88 2k3i n LEU 72 Ca 0.17 -0.61 -0.45 0.00 -0.03 0.00 0.00 56.01 55.09 2k3i n LEU 72 Cb 0.50 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2k3i n LEU 72 CO 0.71 -0.60 0.50 -0.70 -1.33 0.00 0.00 177.39 175.96 2k3i s GLU 73 N -2.94 3.13 0.00 3.23 2.12 -1.26 -4.01 118.70 118.96 2k3i s GLU 73 Ca 0.17 -1.37 0.00 0.00 0.36 0.00 0.00 54.97 54.14 2k3i s GLU 73 Cb -0.01 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 30.06 2k3i s GLU 73 CO 0.11 -1.58 0.00 0.41 -0.54 0.00 0.00 175.26 173.66 2k3i n GLY 74 N 5.23 0.49 3.89 -1.50 0.00 -1.26 -5.01 105.19 107.04 2k3i n GLY 74 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.87 1.29 0.10 1.61 -2.07 -1.26 -4.85 119.66 113.61 2k3i s GLN 75 Ca 0.00 -0.83 -0.01 0.00 -1.82 0.00 0.00 55.36 52.70 2k3i s GLN 75 Cb 0.00 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 2k3i s GLN 75 CO 0.00 -0.60 0.01 0.14 -1.32 0.00 0.00 175.29 173.52 2k3i s VAL 76 N -2.14 0.21 -0.18 3.63 -7.23 0.24 -0.93 120.40 114.00 2k3i s VAL 76 Ca 0.22 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2k3i s VAL 76 Cb -0.03 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 2k3i s VAL 76 CO 0.05 -0.68 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.36 2k3i s GLU 77 N -3.98 3.28 -0.32 4.82 2.12 -1.03 -0.21 118.70 123.38 2k3i s GLU 77 Ca 0.17 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 2k3i s GLU 77 Cb 0.07 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 2k3i s GLU 77 CO -0.03 -0.09 0.22 -1.17 -0.54 0.00 0.00 175.26 173.65 2k3i s LEU 78 N 1.12 4.33 -0.22 2.70 1.98 0.79 -2.27 118.68 127.11 2k3i s LEU 78 Ca 0.01 -0.32 -0.01 0.00 -2.89 0.00 0.00 54.13 50.92 2k3i s LEU 78 Cb -0.14 -2.12 0.06 0.00 0.66 0.00 0.00 46.19 44.65 2k3i s LEU 78 CO -0.03 -0.18 -0.02 -0.62 -1.89 0.00 0.00 176.35 173.61 2k3i s ASP 79 N 1.72 3.49 -0.19 3.68 2.15 0.12 -0.58 116.67 127.06 2k3i s ASP 79 Ca 0.06 -1.04 -0.04 0.00 0.43 0.00 0.00 52.55 51.96 2k3i s ASP 79 Cb -0.17 -0.96 -0.02 0.00 -0.30 0.00 0.00 42.92 41.47 2k3i s ASP 79 CO 0.10 -0.26 -0.04 0.00 -0.17 0.00 0.00 175.17 174.80 2k3i s ALA 80 N 1.57 2.89 -0.29 3.66 0.00 0.65 0.63 121.76 130.88 2k3i s ALA 80 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2k3i s ALA 80 Cb -0.18 -1.64 0.06 0.00 0.00 0.00 0.00 23.12 21.36 2k3i s ALA 80 CO -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 175.76 175.51 2k3i s ALA 81 N 0.99 2.71 -0.18 0.00 0.00 0.33 -0.70 121.76 124.90 2k3i s ALA 81 Ca 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 51.96 49.98 2k3i s ALA 81 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 2k3i s ALA 81 CO 0.01 -1.30 0.16 -0.06 0.00 0.00 0.00 175.76 174.57 2k3i s PHE 82 N 1.13 3.44 -0.50 0.00 0.40 0.11 -0.50 117.98 122.06 2k3i s PHE 82 Ca -0.05 0.40 -0.18 0.00 -0.60 0.00 0.00 56.93 56.50 2k3i s PHE 82 Cb -0.20 -2.17 0.07 0.00 0.51 0.00 0.00 43.02 41.23 2k3i s PHE 82 CO -0.04 0.33 0.56 0.99 0.70 0.00 0.00 175.22 177.76 2k3i s THR 83 N 0.22 4.99 0.59 0.64 2.01 0.89 0.42 115.64 125.39 2k3i s THR 83 Ca 0.10 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 2k3i s THR 83 Cb -0.11 -4.26 0.12 0.00 0.01 0.00 0.00 72.50 68.26 2k3i s THR 83 CO -0.00 -0.76 0.81 0.49 -0.69 0.00 0.00 174.62 174.47 2k3i n PHE 84 N 5.86 -3.05 -0.09 4.92 3.72 0.44 -1.96 117.46 127.30 2k3i n PHE 84 Ca -0.09 -1.39 -0.10 0.00 -0.05 0.00 0.00 57.45 55.82 2k3i n PHE 84 Cb 0.45 -0.59 -0.13 0.00 -0.94 0.00 0.00 39.48 38.26 2k3i n PHE 84 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k3i n SER 85 N -2.95 0.91 -4.40 4.37 3.41 -1.26 -4.85 113.62 108.86 2k3i n SER 85 Ca 0.13 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 2k3i n SER 85 Cb 0.47 0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 64.99 2k3i n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3i h GLN 87 N 3.79 1.14 -0.85 0.00 5.75 -1.94 -2.55 115.11 120.45 2k3i h GLN 87 Ca -0.50 -0.15 0.12 0.00 -0.15 0.00 0.00 58.65 57.96 2k3i h GLN 87 Cb 1.17 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 29.45 2k3i h GLN 87 CO 0.41 0.87 0.55 0.00 -2.65 0.00 0.00 178.83 178.00 2k3i h ALA 88 N 1.21 1.77 -0.14 3.38 0.00 -1.96 -0.73 119.26 122.80 2k3i h ALA 88 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2k3i h ALA 88 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k3i h ALA 88 CO -0.04 0.03 -0.20 0.93 0.00 0.00 0.00 179.25 179.97 2k3i h GLU 89 N 0.74 0.24 0.26 0.00 5.08 -1.79 -0.36 114.58 118.74 2k3i h GLU 89 Ca 0.41 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2k3i h GLU 89 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k3i h GLU 89 CO -0.17 0.44 -0.12 1.98 -1.00 0.00 0.00 179.01 180.13 2k3i h MET 90 N 0.22 -0.33 -0.15 2.33 4.05 -1.16 -2.40 114.93 117.49 2k3i h MET 90 Ca 0.04 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.39 2k3i h MET 90 Cb 0.49 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2k3i h MET 90 CO 0.03 0.02 -0.32 -0.84 0.23 0.00 0.00 176.91 176.03 2k3i h ILE 91 N -0.78 1.28 -0.01 1.77 3.07 -1.27 -1.33 117.51 120.23 2k3i h ILE 91 Ca -0.04 -1.33 -0.15 0.00 1.55 0.00 0.00 64.86 64.90 2k3i h ILE 91 Cb 0.51 1.52 -0.02 0.00 -0.27 0.00 0.00 36.82 38.56 2k3i h ILE 91 CO 0.06 0.40 -0.68 0.16 -1.05 0.00 0.00 178.15 177.04 2k3i h ILE 92 N 0.26 1.47 0.09 0.16 -0.00 -1.17 -3.12 117.51 115.19 2k3i h ILE 92 Ca 0.03 -2.28 -0.00 0.00 -0.00 0.00 0.00 64.86 62.61 2k3i h ILE 92 Cb 0.70 2.22 0.00 0.00 -0.00 0.00 0.00 36.82 39.75 2k3i h ILE 92 CO 0.05 0.66 -0.04 0.15 -0.00 0.00 0.00 178.15 178.97 2k3i h PHE 93 N 0.04 -0.11 -0.84 0.16 3.57 -0.82 -1.07 116.94 117.88 2k3i h PHE 93 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k3i h PHE 93 Cb 1.20 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 2k3i h PHE 93 CO 0.01 0.35 0.56 1.05 -2.23 0.00 0.00 178.31 178.05 2k3i h GLU 94 N -0.62 1.11 -0.15 1.11 4.11 -1.38 0.64 114.58 119.39 2k3i h GLU 94 Ca -0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2k3i h GLU 94 Cb 0.51 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2k3i h GLU 94 CO 0.02 0.73 0.05 -0.07 0.07 0.00 0.00 179.01 179.81 2k3i h LEU 95 N 1.14 0.22 -0.92 3.06 3.38 -1.56 -2.76 115.31 117.86 2k3i h LEU 95 Ca 0.31 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2k3i h LEU 95 Cb -0.13 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2k3i h LEU 95 CO -0.07 0.35 0.61 -1.28 0.09 0.00 0.00 178.44 178.14 2k3i h SER 96 N 0.07 1.03 -0.27 -0.43 0.87 -0.68 0.13 113.55 114.27 2k3i h SER 96 Ca 0.05 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2k3i h SER 96 Cb 0.21 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2k3i h SER 96 CO -0.00 0.72 0.07 -0.07 -0.53 0.00 0.00 176.83 177.02 2k3i h LEU 97 N 1.21 0.06 -0.01 2.23 3.38 -0.74 0.08 115.31 121.51 2k3i h LEU 97 Ca 0.35 0.04 -0.26 0.00 0.09 0.00 0.00 57.88 58.10 2k3i h LEU 97 Cb -0.07 0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2k3i h LEU 97 CO -0.10 0.07 -1.11 0.03 0.09 0.00 0.00 178.44 177.42 2k3i h ARG 98 N 0.19 0.44 -0.05 1.13 3.08 -1.19 -3.20 114.38 114.77 2k3i h ARG 98 Ca 0.12 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2k3i h ARG 98 Cb 0.11 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2k3i h ARG 98 CO -0.14 1.22 0.00 0.43 -1.07 0.00 0.00 179.97 180.40 2k3i n SER 99 N -3.71 0.91 -0.04 7.04 7.64 0.42 -2.64 113.62 123.25 2k3i n SER 99 Ca -0.09 -1.44 -0.17 0.00 1.01 0.00 0.00 58.87 58.18 2k3i n SER 99 Cb 0.93 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 64.03 2k3i n SER 99 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k3i h LEU 100 N 1.30 0.95 0.00 -3.43 5.85 -0.97 -2.93 115.31 116.09 2k3i h LEU 100 Ca 0.00 -0.61 -0.25 0.00 0.84 0.00 0.00 57.88 57.86 2k3i h LEU 100 Cb 0.28 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2k3i h LEU 100 CO 0.00 1.40 -1.49 0.00 -0.34 0.00 0.00 178.44 178.02 2k3i h ALA 101 N 0.57 0.67 -2.12 1.25 0.00 -1.74 -3.39 119.26 114.51 2k3i h ALA 101 Ca -0.04 -1.24 -0.77 0.00 0.00 0.00 0.00 54.91 52.86 2k3i h ALA 101 Cb 1.36 0.32 -0.31 0.00 0.00 0.00 0.00 17.79 19.15 2k3i h ALA 101 CO 0.15 1.40 0.47 1.28 0.00 0.00 0.00 179.25 182.55 2k3i n LEU 102 N -3.09 5.74 0.09 0.00 4.77 -1.08 -4.82 117.00 118.61 2k3i n LEU 102 Ca -0.12 -5.22 -0.06 0.00 -0.03 0.00 0.00 56.01 50.58 2k3i n LEU 102 Cb 0.99 -1.20 0.09 0.00 -2.33 0.00 0.00 43.42 40.97 2k3i n LEU 102 CO 0.45 1.69 0.41 -0.08 -1.33 0.00 0.00 177.39 178.53 2k3i h GLU 103 N 5.45 0.20 -6.38 3.23 4.81 -1.72 -3.41 114.58 116.76 2k3i h GLU 103 Ca 0.19 -0.16 -0.55 0.00 -0.13 0.00 0.00 59.36 58.72 2k3i h GLU 103 Cb 0.67 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 2k3i h GLU 103 CO 1.18 0.81 1.13 -1.01 -0.73 0.00 0.00 179.01 180.39 2k3i s HIS 104 N -3.57 2.21 -0.14 0.92 3.76 -1.26 -4.80 115.29 112.41 2k3i s HIS 104 Ca -0.03 0.54 0.15 0.00 -0.15 0.00 0.00 55.06 55.56 2k3i s HIS 104 Cb 0.11 -4.34 0.35 0.00 1.11 0.00 0.00 32.58 29.82 2k3i s HIS 104 CO 0.80 -2.07 1.18 -2.39 -0.85 0.00 0.00 174.74 171.40 2k3i n HIS 105 N 9.79 0.00 -3.69 1.40 1.44 -1.26 -4.92 115.22 117.98 2k3i n HIS 105 Ca 0.14 -1.08 -0.30 0.00 -2.01 0.00 0.00 57.72 54.48 2k3i n HIS 105 Cb 0.49 -0.19 -0.15 0.00 0.12 0.00 0.00 29.99 30.26 2k3i n HIS 105 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k3i s HIS 106 N -2.32 1.44 -0.58 -1.40 5.04 -1.26 -5.09 115.29 111.12 2k3i s HIS 106 Ca 0.33 -1.64 -0.28 0.00 -1.54 0.00 0.00 55.06 51.93 2k3i s HIS 106 Cb 0.32 -1.55 0.03 0.00 0.04 0.00 0.00 32.58 31.42 2k3i s HIS 106 CO -0.06 -0.86 1.17 -1.58 -2.34 0.00 0.00 174.74 171.07 2k3i s HIS 107 N 1.57 2.63 0.79 3.88 2.46 -1.26 -5.02 115.29 120.34 2k3i s HIS 107 Ca 0.11 0.37 -0.05 0.00 0.47 0.00 0.00 55.06 55.96 2k3i s HIS 107 Cb -0.18 -4.47 0.15 0.00 -0.13 0.00 0.00 32.58 27.95 2k3i s HIS 107 CO -0.24 -1.56 1.08 -3.38 -2.47 0.00 0.00 174.74 168.17 2k3i s HIS 108 N 4.85 1.51 -2.00 3.88 -3.43 -1.26 -5.32 115.29 113.51 2k3i s HIS 108 Ca 0.42 -0.15 0.09 0.00 -0.80 0.00 0.00 55.06 54.62 2k3i s HIS 108 Cb -0.08 -3.28 0.56 0.00 -1.43 0.00 0.00 32.58 28.36 2k3i s HIS 108 CO 0.25 -1.98 1.01 1.58 -2.00 0.00 0.00 174.74 173.59