#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3i n ALA 2 N 0.00 2.31 -2.33 3.04 0.00 -1.26 -4.84 120.51 117.44 2k3i n ALA 2 Ca 0.00 -1.57 -0.43 0.00 0.00 0.00 0.00 53.44 51.45 2k3i n ALA 2 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2k3i n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2k3i n MET 3 N -0.27 3.14 -3.03 0.00 0.00 -1.26 -4.61 117.12 111.09 2k3i n MET 3 Ca 0.11 -3.15 -0.15 0.00 -0.00 0.00 0.00 57.70 54.51 2k3i n MET 3 Cb 0.51 -3.33 0.01 0.00 0.00 0.00 0.00 33.22 30.41 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 6.93 0.97 -3.88 2.12 5.02 -1.26 -5.11 118.16 122.95 2k3i n LYS 4 Ca 0.48 -2.88 -0.11 0.00 -2.02 0.00 0.00 58.31 53.78 2k3i n LYS 4 Cb 0.42 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 2k3i n LYS 4 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2k3i s ASP 5 N -1.99 0.02 -0.31 4.39 -4.77 -1.26 -5.06 116.67 107.69 2k3i s ASP 5 Ca 0.34 -0.09 0.18 0.00 -3.30 0.00 0.00 52.55 49.68 2k3i s ASP 5 Cb 0.32 0.16 0.47 0.00 -1.09 0.00 0.00 42.92 42.79 2k3i s ASP 5 CO -0.08 -0.18 1.02 1.33 0.70 0.00 0.00 175.17 177.97 2k3i n VAL 6 N 2.30 1.24 -2.90 2.11 0.24 -1.26 -5.06 118.33 115.00 2k3i n VAL 6 Ca -0.18 -3.19 -0.43 0.00 -2.04 0.00 0.00 64.34 58.51 2k3i n VAL 6 Cb 0.57 0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 33.57 2k3i n VAL 6 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k3i s VAL 7 N -3.58 4.42 -0.29 3.34 0.11 -1.26 -4.93 120.40 118.21 2k3i s VAL 7 Ca 0.29 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2k3i s VAL 7 Cb 0.41 -4.59 0.18 0.00 -1.53 0.00 0.00 36.38 30.84 2k3i s VAL 7 CO -0.00 -1.28 0.55 1.51 -3.33 0.00 0.00 175.10 172.55 2k3i s ASP 8 N 3.33 -1.05 -0.41 3.54 -4.77 -1.26 -5.10 116.67 110.96 2k3i s ASP 8 Ca 0.23 0.66 0.00 0.00 -3.30 0.00 0.00 52.55 50.15 2k3i s ASP 8 Cb -0.16 1.93 0.19 0.00 -1.09 0.00 0.00 42.92 43.79 2k3i s ASP 8 CO 0.13 -0.27 0.87 -0.75 0.70 0.00 0.00 175.17 175.84 2k3i s LYS 9 N 2.79 0.60 -0.22 2.11 2.20 -1.26 -5.02 119.74 120.93 2k3i s LYS 9 Ca 0.18 -0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.32 2k3i s LYS 9 Cb -0.15 0.01 -0.13 0.00 -1.51 0.00 0.00 37.83 36.06 2k3i s LYS 9 CO -0.21 -0.79 -0.24 0.00 -0.36 0.00 0.00 175.35 173.75 2k3i s SER 11 N -6.52 6.21 0.00 0.00 0.01 -1.26 -4.77 113.70 107.37 2k3i s SER 11 Ca -0.31 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2k3i s SER 11 Cb 0.10 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2k3i s SER 11 CO 0.47 -1.53 0.82 1.07 0.41 0.00 0.00 173.24 174.48 2k3i n THR 12 N 6.13 0.65 -3.75 1.44 5.66 -1.26 -5.00 114.28 118.15 2k3i n THR 12 Ca -0.01 -0.81 -0.17 0.00 -3.05 0.00 0.00 64.05 60.02 2k3i n THR 12 Cb 0.47 0.69 -0.17 0.00 -1.55 0.00 0.00 70.33 69.77 2k3i n THR 12 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2k3i s LYS 13 N -0.65 -0.03 0.00 1.09 -2.85 -1.26 -4.97 119.74 111.08 2k3i s LYS 13 Ca 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 2k3i s LYS 13 Cb 0.00 -0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.43 2k3i s LYS 13 CO 0.00 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.64 2k3i n GLY 14 N 4.52 0.27 3.54 0.59 0.00 -1.26 -5.03 105.19 107.82 2k3i n GLY 14 Ca -0.20 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 8.19 0.78 -2.33 0.00 0.00 -2.03 -3.45 119.26 120.43 2k3i h ALA 16 Ca 0.33 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.69 2k3i h ALA 16 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2k3i h ALA 16 CO 1.37 0.00 0.55 -1.50 0.00 0.00 0.00 179.25 179.67 2k3i s ILE 17 N -3.17 4.62 -0.12 0.00 2.07 -1.26 -5.02 121.20 118.32 2k3i s ILE 17 Ca 0.07 1.89 -0.05 0.00 -1.41 0.00 0.00 60.65 61.15 2k3i s ILE 17 Cb 0.11 -4.21 0.05 0.00 0.13 0.00 0.00 42.46 38.54 2k3i s ILE 17 CO 0.68 0.05 0.26 -0.62 -1.91 0.00 0.00 174.94 173.39 2k3i s ASP 18 N 1.16 -0.03 -0.21 4.50 2.15 -1.26 -5.07 116.67 117.92 2k3i s ASP 18 Ca 0.52 0.56 -0.05 0.00 0.43 0.00 0.00 52.55 54.00 2k3i s ASP 18 Cb -0.21 0.53 -0.20 0.00 -0.30 0.00 0.00 42.92 42.73 2k3i s ASP 18 CO 0.22 -0.20 0.02 -0.38 -0.17 0.00 0.00 175.17 174.66 2k3i n ILE 19 N 4.67 1.61 -1.37 4.11 2.08 -1.26 -5.04 119.36 124.15 2k3i n ILE 19 Ca -0.18 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 62.60 2k3i n ILE 19 Cb 0.52 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.76 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 1.96 -2.62 3.37 7.39 0.00 -1.26 -5.12 105.19 108.92 2k3i n GLY 20 Ca -0.41 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -0.02 -0.35 2.61 2.01 -1.26 -5.13 115.64 113.51 2k3i s THR 21 Ca 0.00 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 2k3i s THR 21 Cb 0.00 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.81 2k3i s THR 21 CO 0.00 0.02 0.91 -0.69 -0.69 0.00 0.00 174.62 174.18 2k3i s VAL 22 N 1.29 4.62 0.59 3.82 1.01 -1.26 -5.03 120.40 125.44 2k3i s VAL 22 Ca -0.08 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 2k3i s VAL 22 Cb -0.07 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2k3i s VAL 22 CO -0.12 -0.47 1.03 0.27 0.00 0.00 0.00 175.10 175.81 2k3i s ILE 23 N 3.38 4.32 -1.27 2.22 -4.36 -1.26 -4.94 121.20 119.28 2k3i s ILE 23 Ca 0.38 0.96 0.29 0.00 -0.26 0.00 0.00 60.65 62.01 2k3i s ILE 23 Cb -0.12 -3.62 0.37 0.00 1.25 0.00 0.00 42.46 40.33 2k3i s ILE 23 CO 0.17 -0.79 1.93 -0.67 0.24 0.00 0.00 174.94 175.82 2k3i n ASP 24 N -2.23 0.12 -2.21 4.36 2.03 -1.26 -4.97 116.55 112.38 2k3i n ASP 24 Ca 0.07 0.02 -0.02 0.00 0.52 0.00 0.00 54.79 55.38 2k3i n ASP 24 Cb 0.54 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2k3i n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k3i n ASN 25 N -1.33 -5.35 -0.35 1.67 4.05 -1.26 -5.09 115.26 107.59 2k3i n ASN 25 Ca 0.11 0.59 0.00 0.00 0.45 0.00 0.00 54.58 55.72 2k3i n ASN 25 Cb 0.29 -3.44 0.00 0.00 1.23 0.00 0.00 39.78 37.86 2k3i n ASN 25 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2k3i n ASP 26 N 0.05 0.00 -1.41 1.20 9.92 -1.26 -5.14 116.55 119.92 2k3i n ASP 26 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2k3i n ASP 26 Cb 0.11 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 2k3i n ASP 26 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k3i n ASN 27 N 0.00 0.00 -0.00 -2.24 3.02 -1.26 -5.03 115.26 109.75 2k3i n ASN 27 Ca 0.00 -0.57 0.10 0.00 -0.03 0.00 0.00 54.58 54.08 2k3i n ASN 27 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 -3.23 5.34 -0.12 0.00 2.01 -1.26 -2.35 115.64 116.04 2k3i s THR 29 Ca 0.01 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2k3i s THR 29 Cb 0.15 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.15 2k3i s THR 29 CO 0.89 0.35 -0.12 -0.55 -0.69 0.00 0.00 174.62 174.50 2k3i s SER 30 N 0.95 2.35 0.11 3.53 0.15 0.40 -4.98 113.70 116.20 2k3i s SER 30 Ca 0.09 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.37 2k3i s SER 30 Cb -0.13 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2k3i s SER 30 CO 0.04 -0.06 0.25 -0.54 1.20 0.00 0.00 173.24 174.14 2k3i s LYS 31 N 1.40 3.45 -0.12 5.44 3.01 -1.26 -0.62 119.74 131.03 2k3i s LYS 31 Ca 0.01 -0.50 -0.02 0.00 -1.01 0.00 0.00 55.97 54.45 2k3i s LYS 31 Cb -0.13 -2.99 0.04 0.00 -1.01 0.00 0.00 37.83 33.73 2k3i s LYS 31 CO -0.07 0.56 0.01 0.12 0.51 0.00 0.00 175.35 176.48 2k3i s PHE 32 N -1.63 0.90 -0.30 3.18 5.36 -0.50 -4.96 117.98 120.03 2k3i s PHE 32 Ca 0.35 -0.50 -0.05 0.00 -0.96 0.00 0.00 56.93 55.77 2k3i s PHE 32 Cb -0.12 -0.94 0.03 0.00 -0.34 0.00 0.00 43.02 41.65 2k3i s PHE 32 CO 0.28 -0.46 0.06 -1.12 -1.46 0.00 0.00 175.22 172.52 2k3i s SER 33 N 1.90 5.03 -0.01 6.13 0.01 -1.26 -1.31 113.70 124.20 2k3i s SER 33 Ca 0.03 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.38 2k3i s SER 33 Cb -0.14 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 2k3i s SER 33 CO -0.07 -0.23 -0.11 -0.60 0.41 0.00 0.00 173.24 172.64 2k3i s ARG 34 N 1.41 0.86 0.01 12.44 3.52 0.79 -4.96 118.95 133.03 2k3i s ARG 34 Ca -0.00 -0.38 -0.15 0.00 -0.13 0.00 0.00 55.73 55.07 2k3i s ARG 34 Cb -0.18 -0.83 -0.06 0.00 -1.56 0.00 0.00 34.95 32.32 2k3i s ARG 34 CO 0.01 0.23 0.43 -0.06 -0.81 0.00 0.00 175.30 175.10 2k3i s PHE 35 N -0.24 3.74 0.41 5.12 0.08 -1.26 -0.54 117.98 125.29 2k3i s PHE 35 Ca 0.04 1.03 0.05 0.00 0.12 0.00 0.00 56.93 58.17 2k3i s PHE 35 Cb -0.04 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 2k3i s PHE 35 CO -0.00 0.63 0.18 -0.06 -0.10 0.00 0.00 175.22 175.86 2k3i s PHE 36 N -1.04 1.78 -0.04 0.36 0.08 -0.16 -4.95 117.98 114.01 2k3i s PHE 36 Ca 0.24 -1.43 -0.16 0.00 0.12 0.00 0.00 56.93 55.71 2k3i s PHE 36 Cb -0.17 -1.05 -0.10 0.00 -0.57 0.00 0.00 43.02 41.13 2k3i s PHE 36 CO 0.14 -0.48 0.65 0.00 -0.10 0.00 0.00 175.22 175.43 2k3i h ALA 37 N 1.79 -0.43 -2.20 5.36 0.00 -1.89 0.06 119.26 121.96 2k3i h ALA 37 Ca -0.32 -0.14 -0.40 0.00 0.00 0.00 0.00 54.91 54.05 2k3i h ALA 37 Cb 1.27 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 19.08 2k3i h ALA 37 CO 0.50 -0.43 -0.61 0.95 0.00 0.00 0.00 179.25 179.66 2k3i s THR 38 N -3.24 0.80 0.45 0.00 -4.23 -1.26 -3.44 115.64 104.72 2k3i s THR 38 Ca -0.09 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.72 2k3i s THR 38 Cb 0.01 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.48 2k3i s THR 38 CO 0.28 0.00 2.13 0.08 -0.54 0.00 0.00 174.62 176.57 2k3i h ARG 39 N 2.26 0.00 -0.25 3.99 0.11 -1.94 -1.52 114.38 117.03 2k3i h ARG 39 Ca -0.39 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.67 2k3i h ARG 39 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2k3i h ARG 39 CO 0.64 0.08 0.09 0.93 0.10 0.00 0.00 179.97 181.81 2k3i h GLU 40 N 0.00 0.39 0.00 0.08 5.08 -2.00 -1.15 114.58 116.98 2k3i h GLU 40 Ca -0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2k3i h GLU 40 Cb 0.26 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k3i h GLU 40 CO 0.01 0.45 -0.04 0.93 -1.00 0.00 0.00 179.01 179.36 2k3i h GLU 41 N 0.25 0.00 -0.06 2.33 4.39 -1.69 -2.17 114.58 117.63 2k3i h GLU 41 Ca 0.08 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.53 2k3i h GLU 41 Cb 0.22 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2k3i h GLU 41 CO -0.00 0.04 -0.94 0.00 -1.16 0.00 0.00 179.01 176.95 2k3i h ALA 42 N 1.96 0.22 -0.77 3.43 0.00 -0.96 -3.15 119.26 119.98 2k3i h ALA 42 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.25 2k3i h ALA 42 Cb 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2k3i h ALA 42 CO 0.01 0.70 0.50 0.93 0.00 0.00 0.00 179.25 181.38 2k3i h GLU 43 N 0.44 1.02 0.00 0.00 4.39 -0.60 -1.88 114.58 117.95 2k3i h GLU 43 Ca -0.10 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2k3i h GLU 43 Cb 1.58 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2k3i h GLU 43 CO 0.19 0.68 -0.06 0.77 -1.16 0.00 0.00 179.01 179.43 2k3i h SER 44 N 1.05 0.00 0.08 1.42 0.02 -1.49 -1.44 113.55 113.18 2k3i h SER 44 Ca 0.28 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.03 2k3i h SER 44 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2k3i h SER 44 CO -0.06 0.06 -0.76 0.15 -1.14 0.00 0.00 176.83 175.08 2k3i h PHE 45 N 0.00 0.78 -0.04 3.45 3.57 -1.31 -3.04 116.94 120.36 2k3i h PHE 45 Ca -0.00 -0.35 -0.05 0.00 3.53 0.00 0.00 57.97 61.10 2k3i h PHE 45 Cb 0.11 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2k3i h PHE 45 CO 0.00 1.14 -0.22 1.98 -2.23 0.00 0.00 178.31 178.97 2k3i h MET 46 N 0.39 0.06 0.17 1.11 4.05 -0.93 -2.66 114.93 117.12 2k3i h MET 46 Ca -0.04 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2k3i h MET 46 Cb 1.36 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.13 2k3i h MET 46 CO 0.14 0.28 -0.18 1.15 0.23 0.00 0.00 176.91 178.54 2k3i h THR 47 N 0.06 0.60 0.00 -0.77 2.02 -1.31 0.82 112.91 114.34 2k3i h THR 47 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 2k3i h THR 47 Cb 0.43 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2k3i h THR 47 CO 0.03 0.00 -0.57 0.07 0.37 0.00 0.00 175.52 175.42 2k3i h LYS 48 N -0.38 0.00 0.00 6.66 2.10 -1.63 -2.92 116.57 120.39 2k3i h LYS 48 Ca 0.01 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.58 2k3i h LYS 48 Cb 0.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2k3i h LYS 48 CO -0.05 0.57 -0.38 -0.07 -2.00 0.00 0.00 179.45 177.52 2k3i h LEU 49 N 0.00 0.00 -0.70 7.07 -0.00 -1.10 -2.70 115.31 117.88 2k3i h LEU 49 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2k3i h LEU 49 Cb 1.12 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.75 2k3i h LEU 49 CO 0.07 0.38 0.33 0.11 -0.00 0.00 0.00 178.44 179.33 2k3i h LYS 50 N 0.00 1.01 -0.87 1.13 6.56 -0.64 -0.87 116.57 122.88 2k3i h LYS 50 Ca -0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 2k3i h LYS 50 Cb 0.80 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 32.24 2k3i h LYS 50 CO 0.05 0.80 0.56 0.93 -2.06 0.00 0.00 179.45 179.72 2k3i h GLU 51 N 0.97 1.17 0.09 3.15 4.39 -1.53 -0.18 114.58 122.65 2k3i h GLU 51 Ca 0.24 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2k3i h GLU 51 Cb 0.12 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2k3i h GLU 51 CO -0.03 0.79 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.50 2k3i h LEU 52 N 1.19 -0.11 -0.77 1.33 3.38 -1.26 -1.45 115.31 117.63 2k3i h LEU 52 Ca 0.32 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2k3i h LEU 52 Cb -0.10 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2k3i h LEU 52 CO -0.06 0.13 0.29 0.00 0.09 0.00 0.00 178.44 178.89 2k3i h ALA 53 N 0.54 1.00 -0.61 1.53 0.00 -1.01 0.71 119.26 121.42 2k3i h ALA 53 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2k3i h ALA 53 Cb 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k3i h ALA 53 CO 0.02 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.93 2k3i h ALA 54 N 1.15 0.87 0.18 0.00 0.00 -0.99 -2.58 119.26 117.90 2k3i h ALA 54 Ca 0.26 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 2k3i h ALA 54 Cb 0.23 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.81 2k3i h ALA 54 CO -0.02 0.67 -1.33 0.00 0.00 0.00 0.00 179.25 178.56 2k3i h ALA 55 N 1.03 -0.01 0.41 0.00 0.00 -0.99 -2.32 119.26 117.38 2k3i h ALA 55 Ca 0.18 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2k3i h ALA 55 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k3i h ALA 55 CO 0.03 0.86 -0.20 0.00 0.00 0.00 0.00 179.25 179.94 2k3i h ALA 56 N 0.42 -0.55 0.00 0.00 0.00 -0.85 -3.40 119.26 114.87 2k3i h ALA 56 Ca -0.18 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 2k3i h ALA 56 Cb 2.05 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 2k3i h ALA 56 CO 0.23 -0.65 -1.57 0.43 0.00 0.00 0.00 179.25 177.69 2k3i n SER 57 N -5.21 1.93 0.00 0.00 7.64 -0.97 -4.90 113.62 112.11 2k3i n SER 57 Ca -0.10 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2k3i n SER 57 Cb 0.29 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 -4.39 0.00 0.00 6.43 7.64 -0.87 -4.86 113.62 117.57 2k3i n SER 58 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2k3i n SER 58 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.20 -0.43 0.00 -1.26 -2.00 120.51 117.02 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 1.41 -3.64 -0.48 0.00 2.03 -1.26 -4.93 116.55 109.67 2k3i n ASP 60 Ca 0.00 0.79 0.06 0.00 0.52 0.00 0.00 54.79 56.15 2k3i n ASP 60 Cb 0.00 3.45 0.15 0.00 -0.72 0.00 0.00 41.12 44.00 2k3i n ASP 60 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3i n GLU 61 N -3.32 2.67 0.00 -0.67 0.28 -1.25 -5.09 120.64 113.26 2k3i n GLU 61 Ca 0.00 -2.23 0.00 0.00 -0.16 0.00 0.00 57.16 54.77 2k3i n GLU 61 Cb 0.00 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 31.47 2k3i n GLU 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k3i n GLY 62 N -0.29 1.41 3.96 -1.84 0.00 -0.85 -5.06 105.19 102.52 2k3i n GLY 62 Ca 0.12 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.62 3.83 -0.82 4.61 0.00 -1.26 -4.77 121.76 121.74 2k3i s ALA 63 Ca 0.00 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 2k3i s ALA 63 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 2k3i s ALA 63 CO 0.00 -0.26 1.72 -1.12 0.00 0.00 0.00 175.76 176.11 2k3i s SER 64 N -4.18 5.60 -0.21 0.00 0.01 -1.18 -4.94 113.70 108.80 2k3i s SER 64 Ca 0.46 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2k3i s SER 64 Cb -0.10 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2k3i s SER 64 CO 0.36 -2.26 -0.04 0.54 0.41 0.00 0.00 173.24 172.26 2k3i s VAL 65 N 8.15 3.48 -0.32 3.43 0.11 -1.26 -0.29 120.40 133.71 2k3i s VAL 65 Ca 0.59 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2k3i s VAL 65 Cb -0.07 -2.58 0.10 0.00 -1.53 0.00 0.00 36.38 32.30 2k3i s VAL 65 CO 0.06 0.42 0.11 0.00 -3.33 0.00 0.00 175.10 172.37 2k3i s ALA 66 N 1.36 1.55 -0.12 1.54 0.00 -0.03 -4.97 121.76 121.10 2k3i s ALA 66 Ca 0.04 -1.72 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 2k3i s ALA 66 Cb -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 2k3i s ALA 66 CO -0.02 -1.70 0.17 1.52 0.00 0.00 0.00 175.76 175.73 2k3i s TYR 67 N 1.54 3.58 0.20 0.00 1.13 -1.26 -0.44 117.35 122.09 2k3i s TYR 67 Ca 0.10 0.55 0.09 0.00 -1.41 0.00 0.00 57.07 56.40 2k3i s TYR 67 Cb -0.18 -2.01 -0.04 0.00 -1.10 0.00 0.00 41.96 38.63 2k3i s TYR 67 CO -0.23 0.66 -0.07 -1.59 -2.51 0.00 0.00 175.55 171.80 2k3i s LYS 68 N -0.82 2.12 -0.19 -3.49 -2.85 0.15 -4.94 119.74 109.72 2k3i s LYS 68 Ca 0.15 -1.30 0.01 0.00 -1.00 0.00 0.00 55.97 53.83 2k3i s LYS 68 Cb -0.12 -2.16 0.04 0.00 -2.06 0.00 0.00 37.83 33.52 2k3i s LYS 68 CO 0.04 0.42 -0.10 0.42 0.10 0.00 0.00 175.35 176.23 2k3i s ILE 69 N -1.85 1.56 -0.65 3.79 1.01 -1.26 -1.29 121.20 122.51 2k3i s ILE 69 Ca 0.26 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 2k3i s ILE 69 Cb -0.08 -1.62 0.16 0.00 0.01 0.00 0.00 42.46 40.92 2k3i s ILE 69 CO 0.16 0.21 0.63 -0.75 0.00 0.00 0.00 174.94 175.19 2k3i s LYS 70 N 1.44 3.22 -0.51 2.79 2.20 0.98 -4.91 119.74 124.95 2k3i s LYS 70 Ca -0.00 -1.91 -0.28 0.00 -0.36 0.00 0.00 55.97 53.43 2k3i s LYS 70 Cb -0.16 -4.36 -0.01 0.00 -1.51 0.00 0.00 37.83 31.80 2k3i s LYS 70 CO -0.08 -1.36 1.66 -0.51 -0.36 0.00 0.00 175.35 174.69 2k3i s ASP 71 N 3.14 5.79 0.15 1.43 1.11 -1.26 -0.15 116.67 126.88 2k3i s ASP 71 Ca 0.10 0.58 0.02 0.00 0.18 0.00 0.00 52.55 53.43 2k3i s ASP 71 Cb -0.22 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.25 2k3i s ASP 71 CO -0.01 -1.92 0.15 0.18 1.18 0.00 0.00 175.17 174.75 2k3i n LEU 72 N 10.77 0.00 -4.56 1.23 4.77 0.85 -4.99 117.00 125.07 2k3i n LEU 72 Ca 0.18 -0.75 -0.41 0.00 -0.03 0.00 0.00 56.01 54.99 2k3i n LEU 72 Cb 0.49 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2k3i n LEU 72 CO 0.70 -0.42 1.19 -0.70 -1.33 0.00 0.00 177.39 176.83 2k3i s GLU 73 N -2.66 3.22 0.00 3.23 2.12 -1.26 -3.67 118.70 119.68 2k3i s GLU 73 Ca 0.12 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2k3i s GLU 73 Cb -0.01 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.22 2k3i s GLU 73 CO 0.07 -2.09 0.00 0.41 -0.54 0.00 0.00 175.26 173.11 2k3i n GLY 74 N 5.34 1.02 3.84 -1.50 0.00 -1.26 -4.97 105.19 107.66 2k3i n GLY 74 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.59 1.62 0.08 1.61 -2.07 -1.24 -4.85 119.66 114.21 2k3i s GLN 75 Ca 0.00 -1.02 0.03 0.00 -1.82 0.00 0.00 55.36 52.55 2k3i s GLN 75 Cb 0.00 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.36 2k3i s GLN 75 CO 0.00 -0.76 -0.08 0.14 -1.32 0.00 0.00 175.29 173.27 2k3i s VAL 76 N -2.46 0.72 -0.32 3.63 -7.23 0.01 -0.10 120.40 114.64 2k3i s VAL 76 Ca 0.18 -1.55 -0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2k3i s VAL 76 Cb -0.03 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.70 2k3i s VAL 76 CO 0.07 -0.60 0.14 -0.70 -0.31 0.00 0.00 175.10 173.70 2k3i s GLU 77 N -2.72 3.17 -0.35 4.82 2.12 0.78 -0.99 118.70 125.53 2k3i s GLU 77 Ca 0.02 -0.83 -0.15 0.00 0.36 0.00 0.00 54.97 54.38 2k3i s GLU 77 Cb -0.03 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 2k3i s GLU 77 CO -0.01 -0.48 0.33 -1.17 -0.54 0.00 0.00 175.26 173.39 2k3i s LEU 78 N 1.57 4.53 -0.22 2.70 1.98 0.30 -0.01 118.68 129.53 2k3i s LEU 78 Ca 0.03 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 2k3i s LEU 78 Cb -0.17 -2.27 0.06 0.00 0.66 0.00 0.00 46.19 44.46 2k3i s LEU 78 CO 0.05 -0.33 -0.05 -0.62 -1.89 0.00 0.00 176.35 173.51 2k3i s ASP 79 N 1.73 3.59 -0.23 3.68 2.15 -0.41 -0.15 116.67 127.04 2k3i s ASP 79 Ca 0.10 -1.05 -0.08 0.00 0.43 0.00 0.00 52.55 51.94 2k3i s ASP 79 Cb -0.17 -1.09 -0.04 0.00 -0.30 0.00 0.00 42.92 41.32 2k3i s ASP 79 CO 0.11 -0.23 0.09 0.00 -0.17 0.00 0.00 175.17 174.97 2k3i s ALA 80 N 1.47 3.33 -0.42 3.66 0.00 -0.43 0.29 121.76 129.66 2k3i s ALA 80 Ca -0.04 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 2k3i s ALA 80 Cb -0.18 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.87 2k3i s ALA 80 CO -0.07 -0.23 0.47 0.00 0.00 0.00 0.00 175.76 175.93 2k3i s ALA 81 N 1.13 3.41 -0.23 0.00 0.00 0.41 -1.41 121.76 125.07 2k3i s ALA 81 Ca 0.05 -1.48 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 2k3i s ALA 81 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2k3i s ALA 81 CO 0.04 -1.63 0.12 -0.06 0.00 0.00 0.00 175.76 174.23 2k3i s PHE 82 N 2.24 3.23 -0.32 0.00 0.40 0.20 -0.85 117.98 122.88 2k3i s PHE 82 Ca 0.14 0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 2k3i s PHE 82 Cb -0.17 -2.23 0.07 0.00 0.51 0.00 0.00 43.02 41.20 2k3i s PHE 82 CO 0.14 -0.04 0.04 0.99 0.70 0.00 0.00 175.22 177.05 2k3i s THR 83 N 1.12 2.93 0.00 0.64 2.01 0.61 -0.45 115.64 122.50 2k3i s THR 83 Ca 0.06 -1.61 -0.03 0.00 0.31 0.00 0.00 61.69 60.42 2k3i s THR 83 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2k3i s THR 83 CO 0.04 -0.25 0.20 -0.36 -0.69 0.00 0.00 174.62 173.56 2k3i s PHE 84 N 1.19 3.55 0.30 4.92 0.08 -0.99 -3.07 117.98 123.96 2k3i s PHE 84 Ca -0.02 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.41 2k3i s PHE 84 Cb -0.20 -1.84 0.46 0.00 -0.57 0.00 0.00 43.02 40.87 2k3i s PHE 84 CO -0.02 0.63 1.84 0.77 -0.10 0.00 0.00 175.22 178.34 2k3i h SER 85 N 3.72 0.69 -3.81 1.36 0.02 -1.99 -3.43 113.55 110.11 2k3i h SER 85 Ca -0.48 -0.12 -0.37 0.00 -0.84 0.00 0.00 61.79 59.98 2k3i h SER 85 Cb 1.18 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.40 2k3i h SER 85 CO 0.70 0.70 -0.69 0.00 -1.14 0.00 0.00 176.83 176.39 2k3i h GLN 87 N 2.61 0.00 -0.69 0.00 4.15 -1.88 -2.97 115.11 116.33 2k3i h GLN 87 Ca -0.38 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.12 2k3i h GLN 87 Cb 1.21 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.84 2k3i h GLN 87 CO 0.64 0.33 0.37 0.00 -1.93 0.00 0.00 178.83 178.24 2k3i h ALA 88 N 1.67 0.94 0.00 3.38 0.00 -1.96 -0.30 119.26 122.99 2k3i h ALA 88 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2k3i h ALA 88 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k3i h ALA 88 CO 0.04 0.01 -0.35 0.93 0.00 0.00 0.00 179.25 179.89 2k3i h GLU 89 N 0.65 0.00 -0.00 0.00 4.39 -1.87 -2.70 114.58 115.05 2k3i h GLU 89 Ca 0.32 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 2k3i h GLU 89 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k3i h GLU 89 CO -0.22 0.35 -0.02 1.98 -1.16 0.00 0.00 179.01 179.93 2k3i h MET 90 N 0.00 0.02 -0.37 2.33 4.05 -1.16 -2.67 114.93 117.13 2k3i h MET 90 Ca -0.00 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 2k3i h MET 90 Cb 0.66 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 2k3i h MET 90 CO 0.05 0.77 -0.15 -0.84 0.23 0.00 0.00 176.91 176.97 2k3i h ILE 91 N -0.73 1.26 -0.03 1.77 3.07 -1.10 -0.85 117.51 120.90 2k3i h ILE 91 Ca -0.00 -1.18 -0.11 0.00 1.55 0.00 0.00 64.86 65.12 2k3i h ILE 91 Cb 0.78 1.14 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 2k3i h ILE 91 CO 0.00 0.39 -0.48 0.16 -1.05 0.00 0.00 178.15 177.18 2k3i h ILE 92 N 0.60 1.34 -0.13 0.16 3.07 -1.58 -2.36 117.51 118.62 2k3i h ILE 92 Ca 0.10 -1.66 -0.02 0.00 1.55 0.00 0.00 64.86 64.83 2k3i h ILE 92 Cb 0.60 1.86 -0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2k3i h ILE 92 CO 0.04 0.48 -0.01 0.15 -1.05 0.00 0.00 178.15 177.76 2k3i h PHE 93 N 0.05 0.26 -0.27 0.16 3.57 -0.99 -2.27 116.94 117.45 2k3i h PHE 93 Ca -0.00 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.50 2k3i h PHE 93 Cb 0.87 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2k3i h PHE 93 CO 0.00 0.48 -0.00 0.93 -2.23 0.00 0.00 178.31 177.49 2k3i h GLU 94 N -0.04 0.07 -0.53 1.11 4.39 -1.02 -0.62 114.58 117.94 2k3i h GLU 94 Ca 0.04 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2k3i h GLU 94 Cb 0.38 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2k3i h GLU 94 CO 0.01 0.05 0.35 -0.07 -1.16 0.00 0.00 179.01 178.18 2k3i h LEU 95 N 0.08 0.59 -1.09 1.33 3.38 -1.41 -2.17 115.31 116.02 2k3i h LEU 95 Ca 0.13 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2k3i h LEU 95 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2k3i h LEU 95 CO -0.22 0.43 -0.19 -1.28 0.09 0.00 0.00 178.44 177.27 2k3i h SER 96 N 0.70 0.00 0.14 -0.43 0.87 -1.03 -2.79 113.55 111.02 2k3i h SER 96 Ca 0.20 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2k3i h SER 96 Cb -0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 2k3i h SER 96 CO -0.05 0.19 -0.39 -0.07 -0.53 0.00 0.00 176.83 175.97 2k3i h LEU 97 N 0.00 -1.14 -0.22 2.23 3.38 -0.43 0.12 115.31 119.25 2k3i h LEU 97 Ca -0.00 0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 2k3i h LEU 97 Cb 0.74 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2k3i h LEU 97 CO 0.02 -0.47 -0.85 0.08 0.09 0.00 0.00 178.44 177.31 2k3i h ARG 98 N -0.64 0.00 0.00 1.13 -0.00 -1.62 -3.22 114.38 110.03 2k3i h ARG 98 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 2k3i h ARG 98 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.63 2k3i h ARG 98 CO -0.21 0.85 0.00 0.43 -0.00 0.00 0.00 179.97 181.03 2k3i n SER 99 N -3.46 0.00 0.04 0.08 7.64 -1.04 -0.96 113.62 115.91 2k3i n SER 99 Ca -0.00 0.24 -0.07 0.00 1.01 0.00 0.00 58.87 60.04 2k3i n SER 99 Cb 0.83 -0.40 -0.12 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.00 0.00 0.00 -3.43 5.85 -0.98 -3.03 115.31 113.72 2k3i h LEU 100 Ca 0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2k3i h LEU 100 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2k3i h LEU 100 CO 0.00 0.97 -1.33 0.00 -0.34 0.00 0.00 178.44 177.74 2k3i n ALA 101 N -2.41 2.07 -3.66 1.25 0.00 -1.04 -4.66 120.51 112.07 2k3i n ALA 101 Ca -0.06 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 2k3i n ALA 101 Cb 0.97 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 19.30 2k3i n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k3i s LEU 102 N -5.67 2.28 -0.17 0.00 1.43 -0.14 -5.09 118.68 111.33 2k3i s LEU 102 Ca -0.02 -2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 50.31 2k3i s LEU 102 Cb 0.09 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 2k3i s LEU 102 CO 0.81 -0.28 2.05 -0.70 0.23 0.00 0.00 176.35 178.45 2k3i s GLU 103 N 0.57 3.47 -0.57 1.70 2.12 -1.14 -4.16 118.70 120.69 2k3i s GLU 103 Ca 0.17 2.07 -0.17 0.00 0.36 0.00 0.00 54.97 57.41 2k3i s GLU 103 Cb -0.24 -4.27 0.13 0.00 0.26 0.00 0.00 34.13 30.01 2k3i s GLU 103 CO -0.00 -1.71 0.57 -1.01 -0.54 0.00 0.00 175.26 172.56 2k3i s HIS 104 N 6.89 3.20 0.25 5.30 3.76 -1.26 -5.05 115.29 128.38 2k3i s HIS 104 Ca 0.92 -1.23 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 2k3i s HIS 104 Cb -0.33 -3.86 -0.04 0.00 1.11 0.00 0.00 32.58 29.46 2k3i s HIS 104 CO 0.36 -1.09 0.05 -3.38 -0.85 0.00 0.00 174.74 169.83 2k3i s HIS 105 N 1.84 2.84 0.00 1.40 -3.43 -1.26 -4.89 115.29 111.78 2k3i s HIS 105 Ca 0.06 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 2k3i s HIS 105 Cb -0.28 -1.28 0.00 0.00 -1.43 0.00 0.00 32.58 29.59 2k3i s HIS 105 CO 0.03 0.58 0.00 -2.39 -2.00 0.00 0.00 174.74 170.96 2k3i n HIS 106 N -0.85 -0.52 -1.44 0.38 1.44 -1.26 -5.08 115.22 107.88 2k3i n HIS 106 Ca -0.07 0.00 -0.49 0.00 -2.01 0.00 0.00 57.72 55.15 2k3i n HIS 106 Cb 0.58 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.61 2k3i n HIS 106 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k3i n HIS 107 N 0.00 1.43 0.00 -1.40 -0.00 -1.26 -4.70 115.22 109.29 2k3i n HIS 107 Ca 0.00 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2k3i n HIS 107 Cb 0.00 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.36 2k3i n HIS 107 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k3i n HIS 108 N 10.39 0.00 -1.75 1.57 -0.00 -1.26 -5.25 115.22 118.91 2k3i n HIS 108 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 2k3i n HIS 108 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 2k3i n HIS 108 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92