#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 -0.78 -0.18 -5.12 0.00 -1.26 -5.14 121.76 109.28 2k3i s ALA 2 Ca 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.43 2k3i s ALA 2 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2k3i s ALA 2 CO 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 175.76 174.53 2k3i s MET 3 N 2.46 4.00 -0.51 0.00 0.00 -1.26 -5.06 119.30 118.93 2k3i s MET 3 Ca 0.10 -0.30 -0.07 0.00 0.00 0.00 0.00 55.69 55.42 2k3i s MET 3 Cb -0.15 -3.26 0.13 0.00 0.00 0.00 0.00 34.83 31.55 2k3i s MET 3 CO -0.17 0.31 0.37 0.15 0.00 0.00 0.00 175.02 175.68 2k3i s LYS 4 N 0.28 2.48 0.24 3.16 1.02 -1.26 -5.07 119.74 120.59 2k3i s LYS 4 Ca 0.05 -1.97 0.11 0.00 0.02 0.00 0.00 55.97 54.18 2k3i s LYS 4 Cb -0.12 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.28 2k3i s LYS 4 CO -0.00 -1.17 -0.14 0.16 -0.92 0.00 0.00 175.35 173.27 2k3i s ASP 5 N 2.11 3.94 -0.30 2.83 -4.77 -1.26 -5.12 116.67 114.10 2k3i s ASP 5 Ca 0.09 -0.80 -0.05 0.00 -3.30 0.00 0.00 52.55 48.49 2k3i s ASP 5 Cb -0.23 -0.52 0.17 0.00 -1.09 0.00 0.00 42.92 41.25 2k3i s ASP 5 CO -0.03 0.06 0.67 0.54 0.70 0.00 0.00 175.17 177.11 2k3i s VAL 6 N -2.10 -0.92 -0.62 2.11 0.11 -1.26 -5.12 120.40 112.60 2k3i s VAL 6 Ca 0.27 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.23 2k3i s VAL 6 Cb -0.07 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.94 2k3i s VAL 6 CO 0.15 0.00 0.50 -0.69 -3.33 0.00 0.00 175.10 171.73 2k3i s VAL 7 N 2.86 4.55 -0.30 2.04 1.01 -1.26 -5.00 120.40 124.30 2k3i s VAL 7 Ca 0.11 -2.27 0.01 0.00 0.00 0.00 0.00 61.98 59.83 2k3i s VAL 7 Cb -0.13 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.41 2k3i s VAL 7 CO -0.20 -0.88 0.03 -0.62 0.00 0.00 0.00 175.10 173.44 2k3i s ASP 8 N 2.07 4.26 -0.27 3.32 -1.08 -1.26 -5.09 116.67 118.62 2k3i s ASP 8 Ca 0.12 -1.70 -0.24 0.00 -0.52 0.00 0.00 52.55 50.21 2k3i s ASP 8 Cb -0.20 -1.25 0.08 0.00 -1.46 0.00 0.00 42.92 40.08 2k3i s ASP 8 CO -0.03 -0.35 0.77 -0.75 0.52 0.00 0.00 175.17 175.33 2k3i s LYS 9 N 1.28 0.77 0.14 4.34 2.20 -1.26 -5.18 119.74 122.03 2k3i s LYS 9 Ca 0.05 0.94 -0.21 0.00 -0.36 0.00 0.00 55.97 56.40 2k3i s LYS 9 Cb -0.18 0.36 0.06 0.00 -1.51 0.00 0.00 37.83 36.56 2k3i s LYS 9 CO -0.13 -0.10 0.54 0.00 -0.36 0.00 0.00 175.35 175.30 2k3i s SER 11 N -2.71 -0.38 -0.43 0.00 0.15 -1.26 -5.12 113.70 103.95 2k3i s SER 11 Ca 0.01 0.61 0.08 0.00 0.70 0.00 0.00 55.95 57.34 2k3i s SER 11 Cb -0.00 0.67 0.18 0.00 -1.71 0.00 0.00 66.02 65.16 2k3i s SER 11 CO -0.12 -0.28 0.64 0.28 1.20 0.00 0.00 173.24 174.96 2k3i s THR 12 N -0.37 -0.96 -0.18 6.45 -1.32 -1.26 -5.12 115.64 112.87 2k3i s THR 12 Ca -0.05 -0.26 -0.09 0.00 -1.21 0.00 0.00 61.69 60.07 2k3i s THR 12 Cb -0.03 -0.04 0.07 0.00 -1.51 0.00 0.00 72.50 70.99 2k3i s THR 12 CO 0.02 -0.03 0.44 -0.54 -2.21 0.00 0.00 174.62 172.30 2k3i s LYS 13 N 1.62 0.41 -0.31 7.08 1.02 -1.26 -5.06 119.74 123.23 2k3i s LYS 13 Ca 0.19 0.87 0.02 0.00 0.02 0.00 0.00 55.97 57.06 2k3i s LYS 13 Cb -0.04 0.05 0.13 0.00 -0.52 0.00 0.00 37.83 37.45 2k3i s LYS 13 CO -0.06 -0.17 1.16 0.41 -0.92 0.00 0.00 175.35 175.76 2k3i n GLY 14 N 4.45 -1.11 1.76 -3.33 0.00 -1.26 -5.00 105.19 100.70 2k3i n GLY 14 Ca -0.21 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.53 3.64 0.25 0.00 0.00 -1.26 -5.01 121.76 117.86 2k3i s ALA 16 Ca 0.26 1.46 0.07 0.00 0.00 0.00 0.00 51.96 53.75 2k3i s ALA 16 Cb 0.21 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2k3i s ALA 16 CO 0.01 -0.88 0.20 0.96 0.00 0.00 0.00 175.76 176.04 2k3i s ILE 17 N -0.36 4.40 -0.13 0.00 -5.25 -1.26 -5.13 121.20 113.47 2k3i s ILE 17 Ca 0.58 -1.41 -0.19 0.00 -0.99 0.00 0.00 60.65 58.64 2k3i s ILE 17 Cb -0.45 -3.39 0.05 0.00 2.95 0.00 0.00 42.46 41.62 2k3i s ILE 17 CO 0.50 -0.34 0.48 -0.62 -1.79 0.00 0.00 174.94 173.17 2k3i s ASP 18 N -3.85 -0.47 0.27 4.36 2.15 -1.26 -5.04 116.67 112.84 2k3i s ASP 18 Ca 0.33 0.75 0.13 0.00 0.43 0.00 0.00 52.55 54.19 2k3i s ASP 18 Cb -0.08 0.78 0.28 0.00 -0.30 0.00 0.00 42.92 43.60 2k3i s ASP 18 CO 0.25 -0.30 1.55 0.40 -0.17 0.00 0.00 175.17 176.89 2k3i h ILE 19 N 4.04 1.26 -0.67 4.11 1.08 -1.99 -3.48 117.51 121.86 2k3i h ILE 19 Ca -0.28 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 61.93 2k3i h ILE 19 Cb 1.17 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 2k3i h ILE 19 CO 0.27 0.61 0.00 0.61 -0.69 0.00 0.00 178.15 178.95 2k3i n GLY 20 N 0.64 0.71 2.78 5.37 0.00 -1.26 -5.10 105.19 108.33 2k3i n GLY 20 Ca -0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.22 -0.49 -0.33 2.61 2.01 -1.26 -5.07 115.64 110.89 2k3i s THR 21 Ca 0.00 -1.11 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 2k3i s THR 21 Cb 0.00 -0.49 0.12 0.00 0.01 0.00 0.00 72.50 72.13 2k3i s THR 21 CO 0.00 -0.46 0.16 -0.69 -0.69 0.00 0.00 174.62 172.94 2k3i s VAL 22 N 1.12 0.38 -0.00 3.82 1.01 -1.26 -4.87 120.40 120.60 2k3i s VAL 22 Ca 0.23 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 2k3i s VAL 22 Cb -0.06 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2k3i s VAL 22 CO -0.07 -0.81 0.65 0.40 0.00 0.00 0.00 175.10 175.27 2k3i h ILE 23 N 5.89 0.00 0.00 2.22 5.03 -2.02 -3.49 117.51 125.14 2k3i h ILE 23 Ca -0.09 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 2k3i h ILE 23 Cb 0.99 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 2k3i h ILE 23 CO 0.40 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.20 2k3i n ASP 24 N -2.38 0.00 -3.91 1.72 -0.08 -1.26 -5.09 116.55 105.55 2k3i n ASP 24 Ca -0.01 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.00 2k3i n ASP 24 Cb 0.04 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.33 2k3i n ASP 24 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k3i s ASN 25 N 2.00 2.35 -0.13 1.67 4.22 -1.26 -5.02 114.94 118.77 2k3i s ASN 25 Ca 0.00 -0.39 0.18 0.00 -2.14 0.00 0.00 52.86 50.51 2k3i s ASN 25 Cb 0.00 -0.87 0.44 0.00 1.28 0.00 0.00 41.25 42.10 2k3i s ASN 25 CO 0.00 -0.13 1.18 0.47 -2.04 0.00 0.00 177.10 176.58 2k3i n ASP 26 N 4.92 1.70 -0.71 3.54 8.00 -1.26 -5.11 116.55 127.63 2k3i n ASP 26 Ca -0.13 -2.86 0.09 0.00 0.71 0.00 0.00 54.79 52.61 2k3i n ASP 26 Cb 0.49 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 2k3i n ASP 26 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k3i n ASN 27 N -0.33 -4.22 -0.24 -2.24 3.02 -1.26 -4.67 115.26 105.33 2k3i n ASN 27 Ca 0.14 0.39 0.07 0.00 -0.03 0.00 0.00 54.58 55.16 2k3i n ASN 27 Cb 0.93 -2.21 -0.02 0.00 -0.61 0.00 0.00 39.78 37.87 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 -1.85 5.02 -0.33 0.00 2.01 -1.26 -1.70 115.64 117.52 2k3i s THR 29 Ca 0.10 0.65 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 2k3i s THR 29 Cb 0.11 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2k3i s THR 29 CO 0.40 -0.09 0.30 -0.55 -0.69 0.00 0.00 174.62 174.00 2k3i s SER 30 N 1.66 6.13 0.26 3.53 0.15 0.13 -4.88 113.70 120.68 2k3i s SER 30 Ca 0.21 -0.23 0.07 0.00 0.70 0.00 0.00 55.95 56.70 2k3i s SER 30 Cb -0.15 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2k3i s SER 30 CO 0.12 -0.26 0.24 -1.59 1.20 0.00 0.00 173.24 172.94 2k3i s LYS 31 N 1.90 3.01 -0.23 5.44 0.00 -1.26 0.34 119.74 128.93 2k3i s LYS 31 Ca 0.10 -1.01 -0.07 0.00 0.00 0.00 0.00 55.97 54.98 2k3i s LYS 31 Cb -0.17 -2.62 0.11 0.00 0.00 0.00 0.00 37.83 35.15 2k3i s LYS 31 CO 0.11 0.38 0.48 0.12 0.00 0.00 0.00 175.35 176.44 2k3i s PHE 32 N -2.12 -0.96 -0.23 1.78 5.36 0.62 -4.96 117.98 117.47 2k3i s PHE 32 Ca 0.34 1.67 -0.03 0.00 -0.96 0.00 0.00 56.93 57.95 2k3i s PHE 32 Cb -0.08 0.41 0.07 0.00 -0.34 0.00 0.00 43.02 43.09 2k3i s PHE 32 CO 0.26 -0.56 0.06 -1.54 -1.46 0.00 0.00 175.22 171.98 2k3i s SER 33 N 2.69 3.17 0.03 6.13 1.04 -1.24 0.33 113.70 125.85 2k3i s SER 33 Ca -0.01 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.46 2k3i s SER 33 Cb -0.12 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.38 2k3i s SER 33 CO -0.15 -0.34 -0.17 -0.60 0.98 0.00 0.00 173.24 172.95 2k3i s ARG 34 N 1.85 1.21 -0.00 4.02 3.52 -0.85 -4.94 118.95 123.76 2k3i s ARG 34 Ca 0.02 -0.79 -0.22 0.00 -0.13 0.00 0.00 55.73 54.61 2k3i s ARG 34 Cb -0.17 -1.25 -0.05 0.00 -1.56 0.00 0.00 34.95 31.92 2k3i s ARG 34 CO -0.15 0.32 0.66 -0.06 -0.81 0.00 0.00 175.30 175.26 2k3i s PHE 35 N -0.71 3.68 0.30 5.12 0.08 -1.26 -1.18 117.98 124.00 2k3i s PHE 35 Ca 0.05 1.28 0.11 0.00 0.12 0.00 0.00 56.93 58.48 2k3i s PHE 35 Cb -0.08 -2.70 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 2k3i s PHE 35 CO 0.01 0.28 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.25 2k3i s PHE 36 N 0.04 2.44 0.19 0.36 0.08 0.79 -4.92 117.98 116.96 2k3i s PHE 36 Ca 0.34 -0.35 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 2k3i s PHE 36 Cb -0.19 -1.19 0.11 0.00 -0.57 0.00 0.00 43.02 41.19 2k3i s PHE 36 CO 0.19 0.63 1.84 0.00 -0.10 0.00 0.00 175.22 177.78 2k3i h ALA 37 N 2.06 0.84 -2.53 5.36 0.00 -1.87 -1.05 119.26 122.06 2k3i h ALA 37 Ca -0.42 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2k3i h ALA 37 Cb 1.25 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 2k3i h ALA 37 CO 0.63 0.30 -0.54 0.99 0.00 0.00 0.00 179.25 180.64 2k3i s THR 38 N -6.01 0.07 0.50 0.00 2.01 -1.26 -3.61 115.64 107.33 2k3i s THR 38 Ca -0.13 -1.78 0.17 0.00 0.31 0.00 0.00 61.69 60.26 2k3i s THR 38 Cb 0.14 -2.10 0.25 0.00 0.01 0.00 0.00 72.50 70.80 2k3i s THR 38 CO 0.77 -0.30 2.10 -0.09 -0.69 0.00 0.00 174.62 176.41 2k3i h ARG 39 N 2.71 0.00 -0.28 4.92 2.43 -1.89 -1.31 114.38 120.96 2k3i h ARG 39 Ca -0.34 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.89 2k3i h ARG 39 Cb 1.22 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 2k3i h ARG 39 CO 0.54 0.07 -0.10 0.93 -1.51 0.00 0.00 179.97 179.89 2k3i h GLU 40 N 0.00 -0.05 -0.49 0.20 5.08 -1.99 0.26 114.58 117.60 2k3i h GLU 40 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2k3i h GLU 40 Cb 0.12 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2k3i h GLU 40 CO 0.01 -0.03 0.33 0.93 -1.00 0.00 0.00 179.01 179.25 2k3i h GLU 41 N -0.05 0.35 0.04 2.33 4.39 -1.65 -0.33 114.58 119.67 2k3i h GLU 41 Ca 0.14 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2k3i h GLU 41 Cb 0.26 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2k3i h GLU 41 CO -0.32 0.23 -0.02 0.00 -1.16 0.00 0.00 179.01 177.74 2k3i h ALA 42 N 1.74 -0.06 -0.49 3.43 0.00 -1.04 -2.75 119.26 120.09 2k3i h ALA 42 Ca 0.22 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k3i h ALA 42 Cb 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k3i h ALA 42 CO -0.05 -0.13 0.13 0.93 0.00 0.00 0.00 179.25 180.13 2k3i h GLU 43 N -0.86 0.74 -0.13 0.00 5.08 -0.78 -1.42 114.58 117.20 2k3i h GLU 43 Ca -0.01 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2k3i h GLU 43 Cb 0.68 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2k3i h GLU 43 CO 0.01 0.66 -0.26 1.03 -1.00 0.00 0.00 179.01 179.45 2k3i h SER 44 N 0.72 0.24 0.80 1.42 0.87 -1.15 -2.73 113.55 113.72 2k3i h SER 44 Ca 0.16 -0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.48 2k3i h SER 44 Cb 0.25 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2k3i h SER 44 CO -0.00 0.50 -0.81 0.15 -0.53 0.00 0.00 176.83 176.14 2k3i h PHE 45 N 0.22 0.01 -0.59 2.24 3.57 -0.98 -3.01 116.94 118.41 2k3i h PHE 45 Ca 0.03 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2k3i h PHE 45 Cb 0.58 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2k3i h PHE 45 CO 0.01 0.81 0.22 1.98 -2.23 0.00 0.00 178.31 179.10 2k3i h MET 46 N 0.00 0.86 -0.09 1.11 4.05 -1.03 -1.20 114.93 118.64 2k3i h MET 46 Ca -0.01 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2k3i h MET 46 Cb 1.43 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2k3i h MET 46 CO 0.11 0.72 0.06 1.15 0.23 0.00 0.00 176.91 179.17 2k3i h THR 47 N 0.84 1.03 0.00 -0.77 2.02 -1.40 -1.51 112.91 113.13 2k3i h THR 47 Ca 0.20 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 2k3i h THR 47 Cb 0.19 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2k3i h THR 47 CO -0.02 0.03 -0.40 0.07 0.37 0.00 0.00 175.52 175.57 2k3i h LYS 48 N 0.11 0.00 -0.64 6.66 2.10 -1.53 -2.23 116.57 121.05 2k3i h LYS 48 Ca 0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 2k3i h LYS 48 Cb -0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 2k3i h LYS 48 CO -0.01 0.40 0.26 -0.07 -2.00 0.00 0.00 179.45 178.03 2k3i h LEU 49 N 0.00 0.85 -0.70 7.07 -0.00 -0.76 -0.26 115.31 121.50 2k3i h LEU 49 Ca -0.00 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.71 2k3i h LEU 49 Cb 0.86 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.28 2k3i h LEU 49 CO 0.05 0.76 0.23 0.11 -0.00 0.00 0.00 178.44 179.59 2k3i h LYS 50 N 0.91 1.08 -0.01 1.13 1.57 -0.69 0.26 116.57 120.83 2k3i h LYS 50 Ca 0.22 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2k3i h LYS 50 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2k3i h LYS 50 CO -0.02 0.93 -0.09 0.93 -0.57 0.00 0.00 179.45 180.63 2k3i h GLU 51 N 1.02 -0.15 -0.42 3.15 5.08 -1.09 -1.58 114.58 120.60 2k3i h GLU 51 Ca 0.23 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2k3i h GLU 51 Cb 0.29 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2k3i h GLU 51 CO -0.01 -0.10 0.19 -0.07 -1.00 0.00 0.00 179.01 178.02 2k3i h LEU 52 N -0.15 0.56 -1.10 1.33 3.38 -0.82 -2.69 115.31 115.83 2k3i h LEU 52 Ca 0.04 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2k3i h LEU 52 Cb 0.20 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2k3i h LEU 52 CO -0.10 0.55 0.61 0.00 0.09 0.00 0.00 178.44 179.59 2k3i h ALA 53 N 1.03 1.36 -0.33 1.53 0.00 -0.35 0.09 119.26 122.59 2k3i h ALA 53 Ca 0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2k3i h ALA 53 Cb 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2k3i h ALA 53 CO -0.02 0.59 -0.19 0.00 0.00 0.00 0.00 179.25 179.64 2k3i h ALA 54 N 1.43 1.06 0.00 0.00 0.00 -1.05 -2.27 119.26 118.44 2k3i h ALA 54 Ca 0.34 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 2k3i h ALA 54 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2k3i h ALA 54 CO -0.08 0.57 -1.21 0.00 0.00 0.00 0.00 179.25 178.53 2k3i h ALA 55 N 1.26 0.59 0.00 0.00 0.00 -1.09 -3.34 119.26 116.67 2k3i h ALA 55 Ca 0.09 -0.99 -0.14 0.00 0.00 0.00 0.00 54.91 53.86 2k3i h ALA 55 Cb 0.62 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k3i h ALA 55 CO 0.04 1.19 -0.82 0.00 0.00 0.00 0.00 179.25 179.66 2k3i h ALA 56 N 1.16 0.61 -2.78 0.00 0.00 -0.93 -3.45 119.26 113.87 2k3i h ALA 56 Ca -0.12 -0.65 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 2k3i h ALA 56 Cb 1.75 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 2k3i h ALA 56 CO 0.09 0.83 -0.05 -1.54 0.00 0.00 0.00 179.25 178.58 2k3i s SER 57 N -6.35 6.88 0.00 0.00 1.04 -0.86 -4.64 113.70 109.77 2k3i s SER 57 Ca 0.02 1.05 0.14 0.00 0.48 0.00 0.00 55.95 57.64 2k3i s SER 57 Cb 0.08 -2.34 0.68 0.00 0.10 0.00 0.00 66.02 64.54 2k3i s SER 57 CO 0.78 0.08 1.46 -1.20 0.98 0.00 0.00 173.24 175.33 2k3i n SER 58 N 2.98 0.62 -0.20 7.02 7.64 -1.26 -3.60 113.62 126.83 2k3i n SER 58 Ca -0.07 -1.69 0.13 0.00 1.01 0.00 0.00 58.87 58.25 2k3i n SER 58 Cb 0.51 -0.05 0.64 0.00 -1.01 0.00 0.00 64.21 64.30 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 -0.30 2.61 0.00 -0.43 0.00 -1.26 -4.93 120.51 116.20 2k3i n ALA 59 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k3i n ALA 59 Cb 0.14 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.46 0.00 0.09 0.00 2.03 -1.24 -4.10 116.55 112.87 2k3i n ASP 60 Ca 0.19 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.45 2k3i n ASP 60 Cb 0.19 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.73 2k3i n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k3i h GLU 61 N 0.00 0.23 0.00 -0.67 5.08 -1.90 -3.48 114.58 113.83 2k3i h GLU 61 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k3i h GLU 61 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2k3i h GLU 61 CO 0.00 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 2k3i n GLY 62 N 0.16 0.37 3.52 -3.84 0.00 -1.26 -4.85 105.19 99.29 2k3i n GLY 62 Ca -0.02 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.21 -0.37 4.61 0.00 -1.26 -4.42 121.76 119.11 2k3i s ALA 63 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 2k3i s ALA 63 Cb 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 23.12 24.14 2k3i s ALA 63 CO 0.00 -0.80 1.60 -1.12 0.00 0.00 0.00 175.76 175.44 2k3i s SER 64 N -3.00 6.12 -0.26 0.00 0.01 -0.96 -4.87 113.70 110.74 2k3i s SER 64 Ca 0.21 1.06 -0.08 0.00 1.31 0.00 0.00 55.95 58.45 2k3i s SER 64 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2k3i s SER 64 CO 0.06 -1.56 0.10 0.54 0.41 0.00 0.00 173.24 172.79 2k3i s VAL 65 N 6.13 4.52 -0.08 3.43 0.11 -1.26 -0.98 120.40 132.28 2k3i s VAL 65 Ca 0.70 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.63 2k3i s VAL 65 Cb -0.18 -3.15 0.01 0.00 -1.53 0.00 0.00 36.38 31.53 2k3i s VAL 65 CO 0.33 0.28 -0.16 0.00 -3.33 0.00 0.00 175.10 172.23 2k3i s ALA 66 N 1.64 1.56 0.04 1.54 0.00 -0.85 -5.02 121.76 120.67 2k3i s ALA 66 Ca 0.06 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 2k3i s ALA 66 Cb -0.16 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2k3i s ALA 66 CO 0.05 0.18 0.19 1.52 0.00 0.00 0.00 175.76 177.70 2k3i s TYR 67 N 0.54 0.06 0.01 0.00 1.13 -1.26 0.01 117.35 117.84 2k3i s TYR 67 Ca -0.16 -0.27 0.07 0.00 -1.41 0.00 0.00 57.07 55.30 2k3i s TYR 67 Cb -0.16 -0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.64 2k3i s TYR 67 CO 0.05 -0.42 -0.21 0.15 -2.51 0.00 0.00 175.55 172.62 2k3i s LYS 68 N -2.49 1.54 -0.31 -3.49 1.02 0.27 -4.97 119.74 111.31 2k3i s LYS 68 Ca -0.06 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.12 2k3i s LYS 68 Cb -0.01 -1.57 0.08 0.00 -0.52 0.00 0.00 37.83 35.81 2k3i s LYS 68 CO -0.03 0.42 0.00 0.42 -0.92 0.00 0.00 175.35 175.23 2k3i s ILE 69 N -0.63 2.36 -0.29 2.17 1.01 -1.26 -1.24 121.20 123.32 2k3i s ILE 69 Ca 0.08 -2.01 -0.01 0.00 0.00 0.00 0.00 60.65 58.71 2k3i s ILE 69 Cb -0.08 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.85 2k3i s ILE 69 CO 0.00 -0.37 -0.01 -0.75 0.00 0.00 0.00 174.94 173.81 2k3i s LYS 70 N 1.01 2.42 0.08 2.79 2.20 -0.30 -4.99 119.74 122.95 2k3i s LYS 70 Ca 0.03 -1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.07 2k3i s LYS 70 Cb -0.20 -3.14 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 2k3i s LYS 70 CO -0.06 -0.61 1.12 -0.51 -0.36 0.00 0.00 175.35 174.93 2k3i s ASP 71 N 1.24 7.20 0.03 1.43 1.11 -1.26 -0.66 116.67 125.76 2k3i s ASP 71 Ca -0.06 1.96 0.00 0.00 0.18 0.00 0.00 52.55 54.63 2k3i s ASP 71 Cb -0.20 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.21 2k3i s ASP 71 CO -0.02 -0.35 0.00 0.18 1.18 0.00 0.00 175.17 176.17 2k3i n LEU 72 N 3.49 0.00 -4.38 1.23 4.77 -0.04 -4.94 117.00 117.12 2k3i n LEU 72 Ca 0.07 -0.20 -0.45 0.00 -0.03 0.00 0.00 56.01 55.40 2k3i n LEU 72 Cb 0.47 0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2k3i n LEU 72 CO 0.54 -0.03 0.33 -0.70 -1.33 0.00 0.00 177.39 176.20 2k3i s GLU 73 N -2.11 3.04 0.00 3.23 2.12 -1.26 -4.05 118.70 119.67 2k3i s GLU 73 Ca 0.00 -1.31 0.00 0.00 0.36 0.00 0.00 54.97 54.02 2k3i s GLU 73 Cb 0.00 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.16 2k3i s GLU 73 CO 0.00 -1.42 0.00 0.41 -0.54 0.00 0.00 175.26 173.71 2k3i n GLY 74 N 5.25 0.68 3.81 -1.50 0.00 -1.26 -5.00 105.19 107.17 2k3i n GLY 74 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.65 1.55 0.03 1.61 -2.07 -1.24 -4.73 119.66 114.17 2k3i s GLN 75 Ca 0.00 -0.85 -0.07 0.00 -1.82 0.00 0.00 55.36 52.62 2k3i s GLN 75 Cb 0.00 0.53 -0.00 0.00 -1.09 0.00 0.00 33.01 32.45 2k3i s GLN 75 CO 0.00 -0.71 0.13 0.14 -1.32 0.00 0.00 175.29 173.53 2k3i s VAL 76 N -3.67 0.11 -0.17 3.63 -7.23 -0.40 -0.86 120.40 111.80 2k3i s VAL 76 Ca 0.11 -0.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2k3i s VAL 76 Cb -0.04 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 2k3i s VAL 76 CO 0.05 -0.51 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.49 2k3i s GLU 77 N -2.24 3.71 -0.37 4.82 -1.05 0.17 -0.15 118.70 123.58 2k3i s GLU 77 Ca -0.08 -0.49 -0.12 0.00 -0.15 0.00 0.00 54.97 54.13 2k3i s GLU 77 Cb -0.03 -3.01 0.02 0.00 -0.44 0.00 0.00 34.13 30.67 2k3i s GLU 77 CO -0.03 0.18 0.23 -1.17 0.95 0.00 0.00 175.26 175.42 2k3i s LEU 78 N 0.55 4.74 -0.28 1.83 1.98 -0.32 -1.15 118.68 126.01 2k3i s LEU 78 Ca -0.01 -0.88 0.02 0.00 -2.89 0.00 0.00 54.13 50.37 2k3i s LEU 78 Cb -0.14 -2.06 0.06 0.00 0.66 0.00 0.00 46.19 44.71 2k3i s LEU 78 CO 0.02 -0.37 -0.06 -0.62 -1.89 0.00 0.00 176.35 173.44 2k3i s ASP 79 N 1.60 4.63 0.18 3.68 -1.08 -0.37 -2.02 116.67 123.30 2k3i s ASP 79 Ca 0.03 -1.45 0.09 0.00 -0.52 0.00 0.00 52.55 50.71 2k3i s ASP 79 Cb -0.19 -1.61 -0.04 0.00 -1.46 0.00 0.00 42.92 39.62 2k3i s ASP 79 CO 0.08 -0.24 -0.19 0.00 0.52 0.00 0.00 175.17 175.34 2k3i s ALA 80 N 1.13 2.17 -0.12 3.66 0.00 0.15 0.96 121.76 129.71 2k3i s ALA 80 Ca -0.06 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 2k3i s ALA 80 Cb -0.20 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.76 2k3i s ALA 80 CO -0.04 0.26 0.08 0.00 0.00 0.00 0.00 175.76 176.06 2k3i s ALA 81 N -2.08 0.35 -0.34 0.00 0.00 0.10 -0.28 121.76 119.52 2k3i s ALA 81 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 2k3i s ALA 81 Cb -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2k3i s ALA 81 CO 0.08 -0.89 0.16 -0.06 0.00 0.00 0.00 175.76 175.05 2k3i s PHE 82 N 2.15 3.21 -0.51 0.00 0.40 0.15 -2.00 117.98 121.38 2k3i s PHE 82 Ca 0.03 -0.90 -0.23 0.00 -0.60 0.00 0.00 56.93 55.23 2k3i s PHE 82 Cb -0.14 -2.37 0.04 0.00 0.51 0.00 0.00 43.02 41.06 2k3i s PHE 82 CO -0.07 -0.59 0.84 0.99 0.70 0.00 0.00 175.22 177.10 2k3i s THR 83 N 1.55 4.55 0.50 0.64 2.01 -0.15 0.22 115.64 124.95 2k3i s THR 83 Ca 0.02 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 2k3i s THR 83 Cb -0.18 -4.43 0.01 0.00 0.01 0.00 0.00 72.50 67.91 2k3i s THR 83 CO 0.05 -0.93 0.74 -0.36 -0.69 0.00 0.00 174.62 173.43 2k3i s PHE 84 N 3.52 3.15 0.09 4.92 0.08 -0.69 -2.27 117.98 126.77 2k3i s PHE 84 Ca 0.28 0.25 0.08 0.00 0.12 0.00 0.00 56.93 57.67 2k3i s PHE 84 Cb -0.13 -2.49 -0.13 0.00 -0.57 0.00 0.00 43.02 39.69 2k3i s PHE 84 CO 0.19 -0.56 1.32 0.77 -0.10 0.00 0.00 175.22 176.85 2k3i h SER 85 N 0.22 0.00 -2.70 1.36 0.02 -1.91 -3.44 113.55 107.11 2k3i h SER 85 Ca -0.45 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.98 2k3i h SER 85 Cb 1.26 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.66 2k3i h SER 85 CO 0.57 0.90 -0.68 0.00 -1.14 0.00 0.00 176.83 176.48 2k3i h GLN 87 N 2.22 0.13 -0.90 0.00 4.15 -1.88 -3.26 115.11 115.57 2k3i h GLN 87 Ca -0.40 -0.23 0.10 0.00 0.77 0.00 0.00 58.65 58.89 2k3i h GLN 87 Cb 1.24 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.95 2k3i h GLN 87 CO 0.68 1.09 0.58 0.00 -1.93 0.00 0.00 178.83 179.25 2k3i h ALA 88 N 0.79 1.63 -0.36 3.38 0.00 -1.96 -0.40 119.26 122.34 2k3i h ALA 88 Ca -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k3i h ALA 88 Cb 1.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2k3i h ALA 88 CO 0.16 0.18 0.11 0.93 0.00 0.00 0.00 179.25 180.64 2k3i h GLU 89 N 0.89 0.51 0.04 0.00 4.39 -1.82 -1.24 114.58 117.35 2k3i h GLU 89 Ca 0.42 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 2k3i h GLU 89 Cb 0.42 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2k3i h GLU 89 CO -0.18 0.45 -0.02 1.98 -1.16 0.00 0.00 179.01 180.08 2k3i h MET 90 N 0.50 -0.05 -0.49 2.33 4.05 -1.20 -2.07 114.93 118.01 2k3i h MET 90 Ca 0.12 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 2k3i h MET 90 Cb 0.15 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2k3i h MET 90 CO -0.01 0.44 -0.09 -0.84 0.23 0.00 0.00 176.91 176.64 2k3i h ILE 91 N -0.56 1.27 -0.02 1.77 3.07 -1.30 -2.03 117.51 119.71 2k3i h ILE 91 Ca -0.01 -1.22 -0.07 0.00 1.55 0.00 0.00 64.86 65.11 2k3i h ILE 91 Cb 0.51 1.06 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 2k3i h ILE 91 CO 0.01 0.42 -0.32 0.16 -1.05 0.00 0.00 178.15 177.37 2k3i h ILE 92 N 0.77 1.24 -0.12 0.16 3.07 -1.30 -1.48 117.51 119.84 2k3i h ILE 92 Ca 0.13 -1.14 -0.01 0.00 1.55 0.00 0.00 64.86 65.39 2k3i h ILE 92 Cb 0.64 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2k3i h ILE 92 CO 0.04 0.33 0.05 0.15 -1.05 0.00 0.00 178.15 177.67 2k3i h PHE 93 N 0.04 0.19 -0.92 0.16 3.57 -0.99 0.41 116.94 119.40 2k3i h PHE 93 Ca 0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2k3i h PHE 93 Cb 0.59 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.20 2k3i h PHE 93 CO 0.00 0.29 0.59 0.93 -2.23 0.00 0.00 178.31 177.89 2k3i h GLU 94 N 0.03 0.87 0.26 1.11 4.39 -0.91 -0.62 114.58 119.71 2k3i h GLU 94 Ca 0.04 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k3i h GLU 94 Cb 0.18 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k3i h GLU 94 CO -0.00 0.57 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.22 2k3i h LEU 95 N 0.89 -0.30 -1.25 1.33 3.38 -0.83 -2.92 115.31 115.61 2k3i h LEU 95 Ca 0.44 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2k3i h LEU 95 Cb 0.46 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2k3i h LEU 95 CO -0.20 0.04 0.52 0.77 0.09 0.00 0.00 178.44 179.65 2k3i h SER 96 N -0.66 0.85 -0.09 -0.43 4.64 -0.44 0.32 113.55 117.73 2k3i h SER 96 Ca -0.04 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2k3i h SER 96 Cb 0.46 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2k3i h SER 96 CO 0.06 0.59 0.06 -0.07 -0.87 0.00 0.00 176.83 176.60 2k3i h LEU 97 N 0.99 0.10 -0.87 5.97 3.38 -1.14 0.35 115.31 124.09 2k3i h LEU 97 Ca 0.30 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 2k3i h LEU 97 Cb -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2k3i h LEU 97 CO -0.08 0.08 -0.41 0.03 0.09 0.00 0.00 178.44 178.15 2k3i h ARG 98 N 0.12 0.33 0.04 1.13 3.08 -1.22 -2.44 114.38 115.42 2k3i h ARG 98 Ca 0.03 -0.16 -0.24 0.00 0.07 0.00 0.00 59.98 59.69 2k3i h ARG 98 Cb -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2k3i h ARG 98 CO -0.01 0.68 -1.03 0.77 -1.07 0.00 0.00 179.97 179.32 2k3i h SER 99 N 0.27 0.44 0.16 7.04 0.02 -0.67 -3.08 113.55 117.72 2k3i h SER 99 Ca 0.03 -0.39 -0.26 0.00 -0.84 0.00 0.00 61.79 60.32 2k3i h SER 99 Cb 0.84 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.27 2k3i h SER 99 CO 0.07 1.23 -1.12 0.25 -1.14 0.00 0.00 176.83 176.11 2k3i h LEU 100 N 0.15 0.71 -3.37 5.07 5.85 -0.90 -3.25 115.31 119.58 2k3i h LEU 100 Ca -0.09 -0.89 -0.36 0.00 0.84 0.00 0.00 57.88 57.38 2k3i h LEU 100 Cb 1.70 -0.23 -0.19 0.00 0.37 0.00 0.00 40.66 42.31 2k3i h LEU 100 CO 0.17 1.54 0.46 0.00 -0.34 0.00 0.00 178.44 180.27 2k3i n ALA 101 N -2.68 4.77 0.32 1.25 0.00 -0.92 -4.57 120.51 118.68 2k3i n ALA 101 Ca -0.14 -1.92 0.22 0.00 0.00 0.00 0.00 53.44 51.59 2k3i n ALA 101 Cb 0.94 -1.35 1.17 0.00 0.00 0.00 0.00 19.45 20.21 2k3i n ALA 101 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k3i h LEU 102 N 1.44 0.00 -2.97 0.00 8.10 -1.57 -3.20 115.31 117.11 2k3i h LEU 102 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.38 2k3i h LEU 102 Cb 1.76 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.98 2k3i h LEU 102 CO 0.79 0.00 0.00 -0.62 -4.11 0.00 0.00 178.44 174.50 2k3i n GLU 103 N -3.00 0.95 -5.09 0.17 1.02 -1.26 -4.76 120.64 108.67 2k3i n GLU 103 Ca -0.03 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.79 2k3i n GLU 103 Cb 0.07 -1.02 -0.16 0.00 -0.02 0.00 0.00 31.44 30.31 2k3i n GLU 103 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2k3i s HIS 104 N 0.09 2.60 0.27 -0.32 -3.43 -1.21 -5.11 115.29 108.18 2k3i s HIS 104 Ca 0.00 -0.76 -0.29 0.00 -0.80 0.00 0.00 55.06 53.22 2k3i s HIS 104 Cb 0.00 -1.70 -0.09 0.00 -1.43 0.00 0.00 32.58 29.35 2k3i s HIS 104 CO 0.00 -0.24 0.95 -1.01 -2.00 0.00 0.00 174.74 172.44 2k3i s HIS 105 N 0.08 3.85 -1.05 0.38 3.76 -1.26 -4.93 115.29 116.12 2k3i s HIS 105 Ca -0.09 1.86 0.25 0.00 -0.15 0.00 0.00 55.06 56.93 2k3i s HIS 105 Cb -0.15 -2.98 1.11 0.00 1.11 0.00 0.00 32.58 31.66 2k3i s HIS 105 CO 0.06 0.29 1.82 0.72 -0.85 0.00 0.00 174.74 176.78 2k3i n HIS 106 N 1.13 0.00 1.29 1.40 8.25 -1.26 -1.93 115.22 124.10 2k3i n HIS 106 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 2k3i n HIS 106 Cb 0.48 -0.48 0.23 0.00 1.12 0.00 0.00 29.99 31.34 2k3i n HIS 106 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k3i n HIS 107 N -1.48 0.27 -4.21 4.41 8.25 -1.26 -4.81 115.22 116.39 2k3i n HIS 107 Ca 0.07 -0.13 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 2k3i n HIS 107 Cb 0.29 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.27 2k3i n HIS 107 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k3i s HIS 108 N -1.73 1.16 -2.00 4.41 5.04 -0.81 -5.30 115.29 116.06 2k3i s HIS 108 Ca 0.22 -0.42 0.10 0.00 -1.54 0.00 0.00 55.06 53.41 2k3i s HIS 108 Cb 0.11 -0.67 0.58 0.00 0.04 0.00 0.00 32.58 32.65 2k3i s HIS 108 CO 0.16 0.04 1.02 1.58 -2.34 0.00 0.00 174.74 175.21