#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4v n GLY 2 N 0.00 2.38 0.30 1.08 0.00 0.31 -4.88 105.19 104.38 2k4v n GLY 2 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2k4v n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4v n HIS 3 N 1.53 0.00 -2.33 1.61 8.25 -1.21 -4.89 115.22 118.17 2k4v n HIS 3 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2k4v n HIS 3 Cb 0.00 0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 2k4v n HIS 3 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2k4v s MET 4 N -0.22 3.31 -0.01 -0.41 -2.45 -1.26 -4.98 119.30 113.28 2k4v s MET 4 Ca 0.00 0.62 0.05 0.00 -1.25 0.00 0.00 55.69 55.10 2k4v s MET 4 Cb 0.00 -4.13 -0.01 0.00 1.25 0.00 0.00 34.83 31.94 2k4v s MET 4 CO 0.00 -1.92 -0.16 0.12 1.05 0.00 0.00 175.02 174.12 2k4v s PHE 5 N 6.21 1.40 -0.00 4.11 5.36 -1.26 -1.56 117.98 132.23 2k4v s PHE 5 Ca 0.57 -0.26 -0.20 0.00 -0.96 0.00 0.00 56.93 56.07 2k4v s PHE 5 Cb -0.12 -0.90 0.04 0.00 -0.34 0.00 0.00 43.02 41.70 2k4v s PHE 5 CO 0.27 -0.02 0.44 -1.83 -1.46 0.00 0.00 175.22 172.61 2k4v s GLU 6 N -0.37 0.86 -0.76 10.12 -1.05 -0.57 -5.03 118.70 121.90 2k4v s GLU 6 Ca 0.06 -0.13 -0.24 0.00 -0.15 0.00 0.00 54.97 54.50 2k4v s GLU 6 Cb -0.06 0.39 -0.15 0.00 -0.44 0.00 0.00 34.13 33.86 2k4v s GLU 6 CO -0.01 -0.27 2.40 -2.30 0.95 0.00 0.00 175.26 176.04 2k4v n PRO 7 N 0.92 0.57 0.00 -4.83 -0.02 -1.26 -1.84 135.00 128.54 2k4v n PRO 7 Ca -0.20 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 60.78 2k4v n PRO 7 Cb 0.58 -3.19 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 2k4v n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4v n GLY 8 N 6.44 3.86 3.41 -1.23 0.00 -1.26 -5.13 105.19 111.28 2k4v n GLY 8 Ca 0.48 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2k4v n GLY 8 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k4v s HIS 9 N 0.00 -0.51 -0.05 1.61 5.65 -0.77 -3.49 115.29 117.73 2k4v s HIS 9 Ca 0.00 1.11 0.04 0.00 0.25 0.00 0.00 55.06 56.46 2k4v s HIS 9 Cb 0.00 0.22 -0.00 0.00 -1.18 0.00 0.00 32.58 31.62 2k4v s HIS 9 CO 0.00 -0.37 -0.16 -1.17 -0.65 0.00 0.00 174.74 172.39 2k4v s LEU 10 N -0.36 1.87 -0.34 8.88 2.96 -0.61 -1.52 118.68 129.56 2k4v s LEU 10 Ca -0.05 -0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 53.39 2k4v s LEU 10 Cb -0.03 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 2k4v s LEU 10 CO 0.03 0.13 0.29 -2.28 -1.32 0.00 0.00 176.35 173.21 2k4v s HIS 11 N 0.14 3.22 -0.42 5.38 5.65 -0.60 -1.32 115.29 127.33 2k4v s HIS 11 Ca -0.05 -0.11 -0.17 0.00 0.25 0.00 0.00 55.06 54.98 2k4v s HIS 11 Cb -0.12 -2.56 0.02 0.00 -1.18 0.00 0.00 32.58 28.74 2k4v s HIS 11 CO 0.02 -0.38 0.40 -1.17 -0.65 0.00 0.00 174.74 172.96 2k4v s LEU 12 N 1.85 4.91 -0.01 8.88 1.98 -0.35 -3.35 118.68 132.60 2k4v s LEU 12 Ca 0.09 -0.72 0.01 0.00 -2.89 0.00 0.00 54.13 50.62 2k4v s LEU 12 Cb -0.17 -2.33 -0.00 0.00 0.66 0.00 0.00 46.19 44.35 2k4v s LEU 12 CO 0.11 -0.54 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.29 2k4v s VAL 13 N 2.03 0.37 0.42 1.68 1.01 -1.26 -0.81 120.40 123.83 2k4v s VAL 13 Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 2k4v s VAL 13 Cb -0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 2k4v s VAL 13 CO 0.13 0.11 0.81 -0.55 0.00 0.00 0.00 175.10 175.59 2k4v s SER 14 N -0.05 6.56 -0.40 3.32 0.15 -1.26 -0.53 113.70 121.48 2k4v s SER 14 Ca 0.01 1.22 -0.29 0.00 0.70 0.00 0.00 55.95 57.60 2k4v s SER 14 Cb -0.02 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2k4v s SER 14 CO -0.00 -0.42 1.52 -0.76 1.20 0.00 0.00 173.24 174.78 2k4v s LEU 15 N -3.82 3.55 0.28 3.45 1.43 -1.26 -4.86 118.68 117.45 2k4v s LEU 15 Ca 0.53 0.91 0.09 0.00 -1.03 0.00 0.00 54.13 54.62 2k4v s LEU 15 Cb -0.10 -3.49 0.39 0.00 0.03 0.00 0.00 46.19 43.02 2k4v s LEU 15 CO 0.30 -1.54 1.64 1.55 0.23 0.00 0.00 176.35 178.53 2k4v h PRO 16 N 11.37 0.09 0.00 1.29 0.13 -1.95 -3.48 132.00 139.45 2k4v h PRO 16 Ca -0.29 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2k4v h PRO 16 Cb 1.12 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k4v h PRO 16 CO 1.08 0.62 0.00 0.41 -0.23 0.00 0.00 178.00 179.88 2k4v n GLY 17 N 0.10 0.86 1.89 1.56 0.00 -1.26 -1.10 105.19 107.24 2k4v n GLY 17 Ca -0.02 0.44 0.07 0.00 0.00 0.00 0.00 46.02 46.51 2k4v n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4v n LEU 18 N 0.00 5.73 -2.65 0.99 4.32 -1.26 -5.00 117.00 119.13 2k4v n LEU 18 Ca 0.00 -2.91 -0.02 0.00 -0.02 0.00 0.00 56.01 53.06 2k4v n LEU 18 Cb 0.00 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 2k4v n LEU 18 CO 0.00 0.64 -0.35 0.47 -1.22 0.00 0.00 177.39 176.93 2k4v n ASP 19 N 0.66 -7.57 -0.04 -1.43 9.92 -0.25 -5.04 116.55 112.79 2k4v n ASP 19 Ca 0.28 1.15 -0.06 0.00 -0.53 0.00 0.00 54.79 55.63 2k4v n ASP 19 Cb 1.19 -5.03 -0.03 0.00 -0.64 0.00 0.00 41.12 36.61 2k4v n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k4v n GLN 20 N 0.44 0.19 -4.19 -1.24 1.13 -1.21 -5.05 117.38 107.44 2k4v n GLN 20 Ca 0.02 0.05 -0.19 0.00 -1.94 0.00 0.00 57.00 54.95 2k4v n GLN 20 Cb 0.09 -1.08 -0.12 0.00 0.11 0.00 0.00 30.24 29.25 2k4v n GLN 20 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2k4v s GLN 21 N -2.15 0.88 -0.29 -1.09 -2.07 -1.26 -5.14 119.66 108.54 2k4v s GLN 21 Ca -0.11 -1.01 0.01 0.00 -1.82 0.00 0.00 55.36 52.43 2k4v s GLN 21 Cb 0.03 -0.91 0.08 0.00 -1.09 0.00 0.00 33.01 31.12 2k4v s GLN 21 CO 0.17 0.20 0.03 0.34 -1.32 0.00 0.00 175.29 174.72 2k4v s ASP 22 N -1.84 4.10 0.12 12.60 2.15 -1.26 -4.66 116.67 127.88 2k4v s ASP 22 Ca 0.00 -1.58 0.11 0.00 0.43 0.00 0.00 52.55 51.51 2k4v s ASP 22 Cb -0.09 -1.14 -0.04 0.00 -0.30 0.00 0.00 42.92 41.34 2k4v s ASP 22 CO 0.03 -0.34 -0.27 0.27 -0.17 0.00 0.00 175.17 174.69 2k4v s ILE 23 N 1.38 2.21 -0.21 4.11 -5.25 -1.26 -0.16 121.20 122.02 2k4v s ILE 23 Ca 0.04 -1.70 -0.08 0.00 -0.99 0.00 0.00 60.65 57.93 2k4v s ILE 23 Cb -0.18 -1.95 0.09 0.00 2.95 0.00 0.00 42.46 43.37 2k4v s ILE 23 CO -0.14 0.12 0.46 0.54 -1.79 0.00 0.00 174.94 174.13 2k4v s ASN 24 N -1.94 -0.42 0.00 4.36 2.20 -0.73 -4.06 114.94 114.34 2k4v s ASN 24 Ca 0.13 1.09 0.00 0.00 -0.94 0.00 0.00 52.86 53.15 2k4v s ASN 24 Cb -0.10 1.47 -0.00 0.00 -2.00 0.00 0.00 41.25 40.62 2k4v s ASN 24 CO 0.05 -0.23 -0.02 -0.63 -2.94 0.00 0.00 177.10 173.34 2k4v s ILE 25 N 2.57 0.10 -0.35 0.54 1.01 0.01 -1.70 121.20 123.38 2k4v s ILE 25 Ca -0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2k4v s ILE 25 Cb -0.12 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.25 2k4v s ILE 25 CO -0.14 -0.04 0.19 -1.00 0.00 0.00 0.00 174.94 173.95 2k4v s HIS 26 N -0.22 3.22 -0.32 3.97 3.76 -0.01 -1.21 115.29 124.48 2k4v s HIS 26 Ca -0.02 -0.79 -0.04 0.00 -0.15 0.00 0.00 55.06 54.06 2k4v s HIS 26 Cb -0.02 -2.41 0.05 0.00 1.11 0.00 0.00 32.58 31.31 2k4v s HIS 26 CO -0.00 -0.57 0.05 0.42 -0.85 0.00 0.00 174.74 173.80 2k4v s ILE 27 N 1.58 3.37 -0.20 0.60 1.01 -0.44 -2.91 121.20 124.22 2k4v s ILE 27 Ca 0.03 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 59.37 2k4v s ILE 27 Cb -0.18 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2k4v s ILE 27 CO 0.07 -0.15 -0.04 -0.13 0.00 0.00 0.00 174.94 174.69 2k4v s ARG 28 N 1.32 3.50 -0.11 2.79 3.00 -0.45 -1.58 118.95 127.42 2k4v s ARG 28 Ca -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 55.73 55.15 2k4v s ARG 28 Cb -0.20 -2.98 0.00 0.00 0.00 0.00 0.00 34.95 31.78 2k4v s ARG 28 CO 0.01 -0.02 -0.22 1.52 0.00 0.00 0.00 175.30 176.58 2k4v s TYR 29 N 1.05 2.46 -0.24 -0.53 1.13 -1.23 -0.64 117.35 119.35 2k4v s TYR 29 Ca 0.01 -1.09 0.02 0.00 -1.41 0.00 0.00 57.07 54.60 2k4v s TYR 29 Cb -0.15 -1.67 0.05 0.00 -1.10 0.00 0.00 41.96 39.09 2k4v s TYR 29 CO 0.00 -0.47 -0.13 -1.21 -2.51 0.00 0.00 175.55 171.24 2k4v s GLU 30 N 0.54 2.51 -0.30 -3.49 2.02 -0.45 -4.80 118.70 114.73 2k4v s GLU 30 Ca -0.14 -1.17 -0.29 0.00 0.02 0.00 0.00 54.97 53.39 2k4v s GLU 30 Cb -0.17 -2.81 0.01 0.00 0.10 0.00 0.00 34.13 31.26 2k4v s GLU 30 CO 0.05 -0.45 1.20 0.08 0.02 0.00 0.00 175.26 176.16 2k4v s VAL 31 N 1.18 4.30 0.19 2.63 1.01 -1.26 -1.05 120.40 127.39 2k4v s VAL 31 Ca -0.04 1.49 -0.07 0.00 0.00 0.00 0.00 61.98 63.36 2k4v s VAL 31 Cb -0.18 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2k4v s VAL 31 CO -0.07 -0.46 0.26 -0.60 0.00 0.00 0.00 175.10 174.22 2k4v s ARG 32 N 3.92 1.23 -0.21 2.72 3.52 -0.77 -5.02 118.95 124.34 2k4v s ARG 32 Ca 0.52 -1.35 -0.04 0.00 -0.13 0.00 0.00 55.73 54.73 2k4v s ARG 32 Cb -0.15 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.58 2k4v s ARG 32 CO 0.20 -0.44 -0.04 -0.65 -0.81 0.00 0.00 175.30 173.55 2k4v s GLN 33 N -4.04 3.43 0.13 5.12 -1.52 -1.26 -1.13 119.66 120.38 2k4v s GLN 33 Ca 0.25 -0.61 0.02 0.00 -1.95 0.00 0.00 55.36 53.07 2k4v s GLN 33 Cb 0.04 -3.00 -0.04 0.00 -0.22 0.00 0.00 33.01 29.80 2k4v s GLN 33 CO 0.05 -0.13 0.27 0.54 -0.25 0.00 0.00 175.29 175.78 2k4v s ASN 34 N 1.31 6.35 0.42 5.90 2.20 0.15 -4.98 114.94 126.29 2k4v s ASN 34 Ca 0.04 0.21 0.22 0.00 -0.94 0.00 0.00 52.86 52.40 2k4v s ASN 34 Cb -0.14 -1.93 0.84 0.00 -2.00 0.00 0.00 41.25 38.01 2k4v s ASN 34 CO -0.02 0.08 1.79 0.00 -2.94 0.00 0.00 177.10 176.02 2k4v h ALA 35 N 2.39 1.01 -0.01 3.54 0.00 -2.00 -2.11 119.26 122.08 2k4v h ALA 35 Ca -0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2k4v h ALA 35 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k4v h ALA 35 CO 0.71 0.33 -0.05 1.49 0.00 0.00 0.00 179.25 181.73 2k4v h GLU 36 N 0.00 0.05 0.00 0.00 4.57 -2.00 -3.39 114.58 113.81 2k4v h GLU 36 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2k4v h GLU 36 Cb 0.80 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2k4v h GLU 36 CO 0.03 0.72 -0.25 0.45 -1.18 0.00 0.00 179.01 178.78 2k4v n SER 37 N -4.71 0.69 0.00 1.04 2.88 -1.25 -5.10 113.62 107.16 2k4v n SER 37 Ca -0.09 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 2k4v n SER 37 Cb 0.36 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2k4v n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k4v n GLY 38 N -0.36 1.81 3.80 0.46 0.00 -0.79 -4.72 105.19 105.39 2k4v n GLY 38 Ca 0.03 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2k4v n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v s ALA 39 N -1.17 3.08 0.39 4.61 0.00 -1.26 0.32 121.76 127.73 2k4v s ALA 39 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 2k4v s ALA 39 Cb 0.00 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.98 2k4v s ALA 39 CO 0.00 0.02 0.79 1.52 0.00 0.00 0.00 175.76 178.09 2k4v s TYR 40 N -1.88 0.18 -0.05 0.00 1.13 -0.29 -1.48 117.35 114.96 2k4v s TYR 40 Ca 0.58 -0.86 0.02 0.00 -1.41 0.00 0.00 57.07 55.40 2k4v s TYR 40 Cb -0.15 0.82 0.02 0.00 -1.10 0.00 0.00 41.96 41.55 2k4v s TYR 40 CO 0.20 -1.59 -0.07 0.08 -2.51 0.00 0.00 175.55 171.66 2k4v s VAL 41 N -2.20 0.72 -0.47 -3.49 1.01 -0.77 -1.84 120.40 113.36 2k4v s VAL 41 Ca 0.16 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 2k4v s VAL 41 Cb -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2k4v s VAL 41 CO 0.12 0.26 0.80 -2.28 0.00 0.00 0.00 175.10 174.00 2k4v s HIS 42 N 0.75 2.96 -0.18 5.22 2.46 -0.22 -2.59 115.29 123.69 2k4v s HIS 42 Ca -0.12 0.09 -0.15 0.00 0.47 0.00 0.00 55.06 55.35 2k4v s HIS 42 Cb -0.14 -3.73 -0.04 0.00 -0.13 0.00 0.00 32.58 28.54 2k4v s HIS 42 CO 0.01 -1.05 0.36 -0.06 -2.47 0.00 0.00 174.74 171.53 2k4v s PHE 43 N 3.37 3.42 -0.04 3.88 0.08 -0.58 -1.34 117.98 126.77 2k4v s PHE 43 Ca 0.29 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.97 2k4v s PHE 43 Cb -0.13 -2.46 0.03 0.00 -0.57 0.00 0.00 43.02 39.89 2k4v s PHE 43 CO 0.21 0.10 -0.01 0.34 -0.10 0.00 0.00 175.22 175.76 2k4v s ASP 44 N 0.80 0.84 0.02 1.36 2.15 0.18 -1.48 116.67 120.54 2k4v s ASP 44 Ca 0.19 -0.07 0.03 0.00 0.43 0.00 0.00 52.55 53.12 2k4v s ASP 44 Cb -0.14 -0.34 -0.02 0.00 -0.30 0.00 0.00 42.92 42.12 2k4v s ASP 44 CO 0.07 -0.10 -0.09 -0.04 -0.17 0.00 0.00 175.17 174.83 2k4v s MET 45 N 1.17 0.65 0.10 4.34 -1.94 0.25 -1.34 119.30 122.53 2k4v s MET 45 Ca -0.07 -0.57 -0.26 0.00 -1.71 0.00 0.00 55.69 53.08 2k4v s MET 45 Cb -0.14 -0.57 0.08 0.00 2.01 0.00 0.00 34.83 36.21 2k4v s MET 45 CO -0.02 0.14 0.90 0.16 -0.01 0.00 0.00 175.02 176.19 2k4v s ASP 46 N -0.93 -0.28 0.00 3.03 -4.77 -1.15 -1.49 116.67 111.09 2k4v s ASP 46 Ca -0.02 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 2k4v s ASP 46 Cb -0.07 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.23 2k4v s ASP 46 CO 0.00 -0.82 0.00 0.61 0.70 0.00 0.00 175.17 175.67 2k4v n GLY 47 N -0.38 0.18 3.66 2.12 0.00 -0.85 -0.83 105.19 109.09 2k4v n GLY 47 Ca -0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 2k4v n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 48 N -0.88 1.73 -0.29 1.61 -1.05 -0.69 -1.90 118.70 117.23 2k4v s GLU 48 Ca 0.00 -1.29 0.03 0.00 -0.15 0.00 0.00 54.97 53.56 2k4v s GLU 48 Cb 0.00 0.51 0.17 0.00 -0.44 0.00 0.00 34.13 34.38 2k4v s GLU 48 CO 0.00 -0.75 0.48 0.42 0.95 0.00 0.00 175.26 176.36 2k4v s ILE 49 N -3.66 -0.78 -1.48 1.83 1.01 -0.18 -1.77 121.20 116.16 2k4v s ILE 49 Ca 0.20 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 2k4v s ILE 49 Cb -0.02 -0.98 0.07 0.00 0.01 0.00 0.00 42.46 41.53 2k4v s ILE 49 CO 0.10 -0.16 0.99 0.47 0.00 0.00 0.00 174.94 176.35 2k4v n ASP 50 N 5.38 -4.68 0.00 3.58 8.00 0.78 -1.46 116.55 128.15 2k4v n ASP 50 Ca 0.02 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2k4v n ASP 50 Cb 0.51 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4v n GLY 51 N -1.73 3.03 3.60 0.44 0.00 -1.26 -5.03 105.19 104.24 2k4v n GLY 51 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k4v n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4v s LYS 52 N -0.27 3.68 0.45 1.61 1.02 -0.53 -4.99 119.74 120.70 2k4v s LYS 52 Ca 0.00 0.64 -0.17 0.00 0.02 0.00 0.00 55.97 56.46 2k4v s LYS 52 Cb 0.00 -3.94 -0.09 0.00 -0.52 0.00 0.00 37.83 33.28 2k4v s LYS 52 CO 0.00 -1.44 0.92 -1.25 -0.92 0.00 0.00 175.35 172.66 2k4v s PRO 53 N 4.60 4.03 0.14 -1.68 0.04 -1.26 -1.01 135.00 139.87 2k4v s PRO 53 Ca 0.51 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 2k4v s PRO 53 Cb -0.09 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.28 2k4v s PRO 53 CO 0.32 -0.11 0.45 -0.59 0.04 0.00 0.00 177.00 177.11 2k4v s PHE 54 N -2.37 -0.26 -0.08 0.56 -0.71 -0.80 -4.95 117.98 109.37 2k4v s PHE 54 Ca 0.59 -0.04 -0.03 0.00 -1.04 0.00 0.00 56.93 56.40 2k4v s PHE 54 Cb -0.10 0.33 0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2k4v s PHE 54 CO 0.23 -0.75 0.10 -1.54 -1.34 0.00 0.00 175.22 171.92 2k4v s SER 55 N -2.80 1.24 0.02 1.98 1.04 -1.26 -2.00 113.70 111.91 2k4v s SER 55 Ca 0.03 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2k4v s SER 55 Cb 0.01 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 2k4v s SER 55 CO -0.11 -0.27 -0.03 -0.62 0.98 0.00 0.00 173.24 173.19 2k4v s ASP 56 N 2.20 0.30 -0.15 7.02 2.15 -0.56 -5.01 116.67 122.63 2k4v s ASP 56 Ca 0.04 -0.50 -0.12 0.00 0.43 0.00 0.00 52.55 52.39 2k4v s ASP 56 Cb -0.13 0.09 0.04 0.00 -0.30 0.00 0.00 42.92 42.63 2k4v s ASP 56 CO -0.05 -0.29 0.38 -0.94 -0.17 0.00 0.00 175.17 174.10 2k4v s SER 57 N -1.47 -0.42 0.02 -0.34 1.04 -1.26 -0.58 113.70 110.68 2k4v s SER 57 Ca -0.15 0.79 0.02 0.00 0.48 0.00 0.00 55.95 57.08 2k4v s SER 57 Cb -0.10 0.77 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2k4v s SER 57 CO -0.01 -0.15 -0.07 0.72 0.98 0.00 0.00 173.24 174.72 2k4v s PHE 58 N 0.49 0.58 -0.12 5.02 -0.71 -0.55 -5.01 117.98 117.68 2k4v s PHE 58 Ca -0.02 -0.30 0.01 0.00 -1.04 0.00 0.00 56.93 55.58 2k4v s PHE 58 Cb -0.04 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.43 2k4v s PHE 58 CO -0.03 -0.05 -0.16 -1.21 -1.34 0.00 0.00 175.22 172.44 2k4v s GLU 59 N -0.86 2.31 -0.07 1.99 2.02 -1.26 -1.52 118.70 121.31 2k4v s GLU 59 Ca -0.04 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.42 2k4v s GLU 59 Cb -0.06 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 2k4v s GLU 59 CO 0.00 -0.11 -0.24 -0.51 0.02 0.00 0.00 175.26 174.43 2k4v s LEU 60 N 1.11 2.05 1.03 1.80 1.43 -1.07 -5.01 118.68 120.02 2k4v s LEU 60 Ca -0.03 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 2k4v s LEU 60 Cb -0.14 -1.34 0.16 0.00 0.03 0.00 0.00 46.19 44.89 2k4v s LEU 60 CO -0.04 0.21 0.76 -0.81 0.23 0.00 0.00 176.35 176.70 2k4v n PRO 61 N 3.16 -1.16 -0.37 1.29 -0.04 -1.26 -1.84 135.00 134.78 2k4v n PRO 61 Ca -0.18 -0.30 0.28 0.00 -0.04 0.00 0.00 63.50 63.26 2k4v n PRO 61 Cb 0.52 -2.10 0.55 0.00 -0.04 0.00 0.00 33.50 32.44 2k4v n PRO 61 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2k4v h ARG 62 N -2.07 0.26 0.00 0.54 0.11 -1.54 0.29 114.38 111.97 2k4v h ARG 62 Ca -0.50 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.51 2k4v h ARG 62 Cb 1.30 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2k4v h ARG 62 CO 0.41 0.17 -0.25 -0.44 0.10 0.00 0.00 179.97 179.97 2k4v h ASP 63 N 0.27 0.00 0.00 0.08 5.19 -1.91 -3.26 116.42 116.79 2k4v h ASP 63 Ca 0.71 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.12 2k4v h ASP 63 Cb 1.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.44 2k4v h ASP 63 CO -0.42 0.25 -0.14 0.35 -3.12 0.00 0.00 179.24 176.16 2k4v n THR 64 N -3.97 0.69 0.09 0.35 -2.24 -0.36 -4.78 114.28 104.06 2k4v n THR 64 Ca -0.02 -0.79 -0.01 0.00 -2.27 0.00 0.00 64.05 60.96 2k4v n THR 64 Cb 0.32 0.44 0.26 0.00 -2.10 0.00 0.00 70.33 69.25 2k4v n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4v h ALA 65 N 0.00 1.19 0.00 6.98 0.00 -0.53 -1.60 119.26 125.30 2k4v h ALA 65 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2k4v h ALA 65 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k4v h ALA 65 CO 0.00 0.53 -0.18 0.74 0.00 0.00 0.00 179.25 180.34 2k4v h PHE 66 N 0.24 0.00 0.00 0.00 -1.00 -1.85 -3.07 116.94 111.26 2k4v h PHE 66 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2k4v h PHE 66 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 2k4v h PHE 66 CO 0.01 0.18 0.00 0.09 -1.61 0.00 0.00 178.31 176.98 2k4v n ASN 67 N -3.45 0.00 0.29 2.17 4.13 -0.60 -3.86 115.26 113.94 2k4v n ASN 67 Ca -0.01 -0.53 0.18 0.00 1.68 0.00 0.00 54.58 55.90 2k4v n ASN 67 Cb 0.36 -0.12 0.86 0.00 -1.54 0.00 0.00 39.78 39.33 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 2k4v h PHE 68 N 0.00 0.00 -0.11 3.10 -0.00 -1.60 -3.33 116.94 115.00 2k4v h PHE 68 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 57.77 2k4v h PHE 68 Cb 0.11 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.07 2k4v h PHE 68 CO 0.00 0.03 -0.70 0.00 -0.00 0.00 0.00 178.31 177.64 2k4v h ALA 69 N 1.97 0.24 -0.19 12.09 0.00 -1.85 0.24 119.26 131.75 2k4v h ALA 69 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2k4v h ALA 69 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k4v h ALA 69 CO 0.00 0.56 -0.30 0.66 0.00 0.00 0.00 179.25 180.18 2k4v h SER 70 N 0.35 0.38 0.27 0.00 4.64 -1.89 -3.19 113.55 114.12 2k4v h SER 70 Ca -0.06 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 2k4v h SER 70 Cb 1.35 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2k4v h SER 70 CO 0.14 0.67 -0.13 0.44 -0.87 0.00 0.00 176.83 177.09 2k4v h ASP 71 N 0.33 -0.30 -0.87 4.97 5.19 -1.51 -1.94 116.42 122.28 2k4v h ASP 71 Ca 0.04 -0.19 0.13 0.00 -0.62 0.00 0.00 57.03 56.40 2k4v h ASP 71 Cb 0.70 0.08 -0.09 0.00 0.18 0.00 0.00 39.33 40.20 2k4v h ASP 71 CO 0.05 0.19 0.48 0.00 -3.12 0.00 0.00 179.24 176.84 2k4v h ALA 72 N -0.65 1.29 0.02 3.45 0.00 -1.08 0.12 119.26 122.40 2k4v h ALA 72 Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k4v h ALA 72 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k4v h ALA 72 CO 0.06 0.02 -0.01 1.15 0.00 0.00 0.00 179.25 180.47 2k4v h THR 73 N 0.74 1.25 -0.69 0.00 2.02 -1.65 -3.19 112.91 111.40 2k4v h THR 73 Ca 0.45 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.89 2k4v h THR 73 Cb 0.54 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 2k4v h THR 73 CO -0.31 0.21 0.46 -0.09 0.37 0.00 0.00 175.52 176.16 2k4v h ARG 74 N -0.37 0.62 -0.57 6.66 2.43 -0.51 -1.29 114.38 121.34 2k4v h ARG 74 Ca -0.00 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2k4v h ARG 74 Cb 0.36 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 2k4v h ARG 74 CO 0.00 0.41 0.32 0.28 -1.51 0.00 0.00 179.97 179.48 2k4v h VAL 75 N 0.64 1.02 -0.30 0.20 2.07 -0.80 -1.34 116.25 117.74 2k4v h VAL 75 Ca 0.31 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 2k4v h VAL 75 Cb 0.38 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2k4v h VAL 75 CO -0.10 0.12 -0.25 0.00 0.02 0.00 0.00 177.57 177.35 2k4v h ALA 76 N 1.27 0.43 -0.83 1.67 0.00 -1.33 -3.18 119.26 117.29 2k4v h ALA 76 Ca 0.24 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k4v h ALA 76 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2k4v h ALA 76 CO -0.13 0.42 0.54 1.96 0.00 0.00 0.00 179.25 182.04 2k4v h GLN 77 N 0.45 1.10 -0.03 0.00 1.08 -0.91 -1.38 115.11 115.41 2k4v h GLN 77 Ca 0.05 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2k4v h GLN 77 Cb 0.81 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2k4v h GLN 77 CO 0.06 0.74 -0.03 0.87 -0.95 0.00 0.00 178.83 179.53 2k4v h LYS 78 N 1.13 0.04 -0.87 1.46 1.57 -1.24 -2.59 116.57 116.08 2k4v h LYS 78 Ca 0.30 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2k4v h LYS 78 Cb -0.12 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.10 2k4v h LYS 78 CO -0.06 0.07 0.19 1.58 -0.57 0.00 0.00 179.45 180.66 2k4v n HIS 79 N -4.48 1.51 -0.79 -1.35 -0.00 -0.52 -4.83 115.22 104.76 2k4v n HIS 79 Ca -0.02 -0.84 0.00 0.00 0.46 0.00 0.00 57.72 57.31 2k4v n HIS 79 Cb 0.13 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.50 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k4v n GLY 80 N -0.03 0.50 2.88 1.57 0.00 -1.03 -4.91 105.19 104.17 2k4v n GLY 80 Ca 0.25 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2k4v n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4v s LEU 81 N -0.76 1.25 -0.31 0.99 0.20 -1.00 -4.89 118.68 114.16 2k4v s LEU 81 Ca 0.00 -0.13 -0.10 0.00 0.69 0.00 0.00 54.13 54.59 2k4v s LEU 81 Cb 0.00 -0.46 0.19 0.00 -0.43 0.00 0.00 46.19 45.49 2k4v s LEU 81 CO 0.00 -0.07 1.05 -2.28 -0.29 0.00 0.00 176.35 174.76 2k4v s HIS 82 N 1.04 -0.42 -0.74 5.38 2.46 -1.26 -4.34 115.29 117.41 2k4v s HIS 82 Ca -0.09 0.15 -0.26 0.00 0.47 0.00 0.00 55.06 55.33 2k4v s HIS 82 Cb -0.14 0.07 -0.13 0.00 -0.13 0.00 0.00 32.58 32.25 2k4v s HIS 82 CO -0.01 -0.26 2.41 -2.30 -2.47 0.00 0.00 174.74 172.11 2k4v n PRO 83 N 4.35 0.63 0.09 2.88 -0.02 -1.26 -4.76 135.00 136.90 2k4v n PRO 83 Ca 0.07 -0.68 -0.06 0.00 -2.02 0.00 0.00 63.50 60.82 2k4v n PRO 83 Cb 0.61 -3.57 -0.02 0.00 -0.02 0.00 0.00 33.50 30.50 2k4v n PRO 83 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k4v h LYS 84 N 13.90 0.04 0.00 -0.52 3.64 -2.03 -2.38 116.57 129.22 2k4v h LYS 84 Ca -0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2k4v h LYS 84 Cb 1.05 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2k4v h LYS 84 CO 1.05 0.89 -0.09 0.27 -2.27 0.00 0.00 179.45 179.30 2k4v h PHE 85 N 0.02 0.00 -0.39 1.91 -0.00 -2.01 -3.43 116.94 113.04 2k4v h PHE 85 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.71 2k4v h PHE 85 Cb 1.54 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.46 2k4v h PHE 85 CO 0.01 0.09 0.76 0.20 -0.00 0.00 0.00 178.31 179.37 2k4v s GLY 86 N -4.24 -0.19 0.13 6.09 0.00 -0.90 -4.67 107.32 103.53 2k4v s GLY 86 Ca 0.03 -1.90 0.25 0.00 0.00 0.00 0.00 44.72 43.10 2k4v s GLY 86 CO 0.62 3.76 1.78 0.00 0.00 0.00 0.00 173.10 179.27 2k4v n ALA 87 N 15.85 2.14 -1.54 3.20 0.00 -1.26 -4.75 120.51 134.15 2k4v n ALA 87 Ca 0.44 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 2k4v n ALA 87 Cb 0.47 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 2k4v n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2k4v n ILE 88 N -1.93 -0.07 -0.04 0.00 -5.35 -1.26 -4.78 119.36 105.93 2k4v n ILE 88 Ca 0.05 -0.61 -0.00 0.00 -0.27 0.00 0.00 62.75 61.92 2k4v n ILE 88 Cb 0.34 -2.25 -0.13 0.00 -1.74 0.00 0.00 39.64 35.87 2k4v n ILE 88 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2k4v n THR 89 N 7.88 0.56 0.12 7.28 5.66 -1.26 -4.56 114.28 129.96 2k4v n THR 89 Ca 0.44 -0.53 0.02 0.00 -3.05 0.00 0.00 64.05 60.94 2k4v n THR 89 Cb 0.42 -0.25 0.18 0.00 -1.55 0.00 0.00 70.33 69.13 2k4v n THR 89 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k4v n ARG 90 N -2.34 2.70 -2.53 1.09 5.12 -1.26 -4.59 116.66 114.85 2k4v n ARG 90 Ca -0.15 -1.44 -0.42 0.00 -1.93 0.00 0.00 57.85 53.91 2k4v n ARG 90 Cb 0.73 -1.83 0.01 0.00 -1.16 0.00 0.00 32.46 30.21 2k4v n ARG 90 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2k4v n VAL 91 N 0.24 4.96 -1.82 1.55 0.24 -1.26 -5.01 118.33 117.24 2k4v n VAL 91 Ca 0.14 -5.03 -0.42 0.00 -2.04 0.00 0.00 64.34 56.99 2k4v n VAL 91 Cb 0.71 -2.15 -0.02 0.00 -1.47 0.00 0.00 33.84 30.91 2k4v n VAL 91 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2k4v s HIS 92 N -1.30 2.87 -2.00 6.34 -3.43 -1.26 -3.86 115.29 112.65 2k4v s HIS 92 Ca 0.39 0.68 0.21 0.00 -0.80 0.00 0.00 55.06 55.53 2k4v s HIS 92 Cb 0.10 -4.03 1.26 0.00 -1.43 0.00 0.00 32.58 28.47 2k4v s HIS 92 CO 0.01 -3.64 1.74 1.17 -2.00 0.00 0.00 174.74 172.03 2k4v n LYS 93 N 2.94 0.90 -3.42 -0.38 4.81 -1.26 -4.82 118.16 116.93 2k4v n LYS 93 Ca 0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.33 2k4v n LYS 93 Cb 0.37 -1.37 0.07 0.00 0.02 0.00 0.00 35.03 34.12 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k4v n GLU 94 N -0.87 -6.84 -0.11 1.64 1.02 -1.26 -4.91 120.64 109.30 2k4v n GLU 94 Ca 0.16 0.76 0.06 0.00 -0.02 0.00 0.00 57.16 58.11 2k4v n GLU 94 Cb 0.07 -5.55 0.38 0.00 -0.02 0.00 0.00 31.44 26.32 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2k4v h TYR 95 N -2.29 0.66 -0.60 -0.32 3.20 -1.99 -1.72 116.97 113.91 2k4v h TYR 95 Ca -0.51 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.46 2k4v h TYR 95 Cb 1.33 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 2k4v h TYR 95 CO 0.45 0.38 0.25 -0.44 -1.64 0.00 0.00 178.16 177.16 2k4v h ASP 96 N 0.68 0.29 -0.07 -2.11 5.19 -1.99 0.20 116.42 118.61 2k4v h ASP 96 Ca 0.25 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.70 2k4v h ASP 96 Cb 0.14 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2k4v h ASP 96 CO -0.07 0.18 -0.06 0.00 -3.12 0.00 0.00 179.24 176.17 2k4v h ALA 97 N 1.39 0.10 -0.80 3.45 0.00 -1.73 -3.00 119.26 118.66 2k4v h ALA 97 Ca 0.29 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k4v h ALA 97 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k4v h ALA 97 CO -0.27 -0.10 0.52 1.98 0.00 0.00 0.00 179.25 181.38 2k4v h MET 98 N -0.27 1.06 -0.61 0.00 1.85 -1.34 -2.38 114.93 113.24 2k4v h MET 98 Ca 0.01 -0.07 0.09 0.00 -0.61 0.00 0.00 59.70 59.12 2k4v h MET 98 Cb 0.56 -0.24 -0.07 0.00 0.43 0.00 0.00 31.60 32.28 2k4v h MET 98 CO 0.02 0.71 0.23 0.35 -0.40 0.00 0.00 176.91 177.82 2k4v h PHE 99 N 1.09 0.41 0.00 1.39 3.04 -0.58 -0.95 116.94 121.34 2k4v h PHE 99 Ca 0.29 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.17 2k4v h PHE 99 Cb -0.11 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 2k4v h PHE 99 CO 0.00 0.11 -0.49 0.93 -2.02 0.00 0.00 178.31 176.84 2k4v h GLU 100 N 0.42 0.00 0.25 1.11 4.39 -1.30 -1.73 114.58 117.72 2k4v h GLU 100 Ca 0.31 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2k4v h GLU 100 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2k4v h GLU 100 CO -0.30 0.49 -0.12 0.22 -1.16 0.00 0.00 179.01 178.13 2k4v h ASP 101 N 0.00 -0.29 -0.42 1.42 3.58 -0.95 -2.83 116.42 116.94 2k4v h ASP 101 Ca -0.00 -0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.28 2k4v h ASP 101 Cb 0.93 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.01 2k4v h ASP 101 CO 0.06 0.12 0.11 0.40 -2.88 0.00 0.00 179.24 177.05 2k4v h ILE 102 N -0.75 0.81 0.00 2.25 2.04 -1.15 -0.60 117.51 120.12 2k4v h ILE 102 Ca -0.03 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2k4v h ILE 102 Cb 0.50 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2k4v h ILE 102 CO 0.06 0.05 -0.15 0.08 0.00 0.00 0.00 178.15 178.18 2k4v h ARG 103 N 0.25 0.00 0.08 2.37 -0.00 -1.41 -1.82 114.38 113.85 2k4v h ARG 103 Ca 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.18 2k4v h ARG 103 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.20 2k4v h ARG 103 CO -0.24 0.15 -0.04 0.00 -0.00 0.00 0.00 179.97 179.84 2k4v h ALA 104 N 1.85 -0.10 -0.38 0.08 0.00 -1.12 -3.22 119.26 116.37 2k4v h ALA 104 Ca -0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2k4v h ALA 104 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k4v h ALA 104 CO 0.02 -0.14 -0.23 0.87 0.00 0.00 0.00 179.25 179.76 2k4v h LYS 105 N -0.93 0.75 0.00 0.00 1.79 -0.95 -0.67 116.57 116.57 2k4v h LYS 105 Ca -0.01 -0.31 -0.05 0.00 -2.18 0.00 0.00 60.65 58.11 2k4v h LYS 105 Cb 0.54 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2k4v h LYS 105 CO 0.02 0.92 -0.22 -0.07 -1.08 0.00 0.00 179.45 179.01 2k4v h LEU 106 N 0.66 0.00 -0.36 2.94 -0.00 -1.54 -1.12 115.31 115.89 2k4v h LEU 106 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2k4v h LEU 106 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2k4v h LEU 106 CO 0.06 0.22 0.00 -0.74 -0.00 0.00 0.00 178.44 177.98 2k4v h HIS 107 N 0.00 0.00 -0.02 1.13 2.76 -1.38 -3.48 115.15 114.16 2k4v h HIS 107 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2k4v h HIS 107 Cb 0.65 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 2k4v h HIS 107 CO 0.00 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 176.62 2k4v n ALA 108 N -1.97 -0.01 -3.20 5.26 0.00 -0.33 -4.99 120.51 115.28 2k4v n ALA 108 Ca 0.04 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2k4v n ALA 108 Cb 0.42 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 2k4v n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2k4v s HIS 109 N -1.78 -0.26 0.31 0.00 3.76 -1.04 -4.99 115.29 111.29 2k4v s HIS 109 Ca 0.00 0.58 -0.28 0.00 -0.15 0.00 0.00 55.06 55.21 2k4v s HIS 109 Cb 0.00 0.10 -0.13 0.00 1.11 0.00 0.00 32.58 33.65 2k4v s HIS 109 CO 0.00 -0.23 1.16 -2.30 -0.85 0.00 0.00 174.74 172.51 2k4v n PRO 110 N 2.33 1.75 0.32 8.40 -0.02 -1.26 -4.42 135.00 142.10 2k4v n PRO 110 Ca -0.16 0.61 0.21 0.00 -2.02 0.00 0.00 63.50 62.14 2k4v n PRO 110 Cb 0.57 -2.09 1.09 0.00 -0.02 0.00 0.00 33.50 33.05 2k4v n PRO 110 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2k4v h GLY 111 N 2.32 0.00 -3.97 -1.23 0.00 -1.85 -3.42 103.07 94.92 2k4v h GLY 111 Ca -0.43 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 2k4v h GLY 111 CO 0.62 0.00 -0.34 -1.83 0.00 0.00 0.00 176.54 174.99 2k4v s GLU 112 N -4.15 0.72 0.59 4.80 -1.05 -1.26 -5.03 118.70 113.32 2k4v s GLU 112 Ca -0.04 -0.55 -0.20 0.00 -0.15 0.00 0.00 54.97 54.04 2k4v s GLU 112 Cb 0.13 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 2k4v s GLU 112 CO 0.45 -0.22 1.26 -2.14 0.95 0.00 0.00 175.26 175.57 2k4v s PRO 113 N -2.42 2.97 0.38 -4.83 0.02 -1.26 -5.00 135.00 124.86 2k4v s PRO 113 Ca -0.06 1.97 -0.26 0.00 0.02 0.00 0.00 61.00 62.67 2k4v s PRO 113 Cb -0.02 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 2k4v s PRO 113 CO -0.03 -1.24 1.22 0.54 -0.33 0.00 0.00 177.00 177.16 2k4v s VAL 114 N -1.48 2.96 -0.17 3.83 0.11 -1.26 -4.96 120.40 119.43 2k4v s VAL 114 Ca 0.76 0.86 0.17 0.00 -2.93 0.00 0.00 61.98 60.84 2k4v s VAL 114 Cb -0.34 -3.50 0.46 0.00 -1.53 0.00 0.00 36.38 31.46 2k4v s VAL 114 CO 0.38 0.12 1.34 -0.90 -3.33 0.00 0.00 175.10 172.71 2k4v n ASP 115 N 0.28 3.31 -0.25 3.54 5.75 -1.26 -4.77 116.55 123.14 2k4v n ASP 115 Ca 0.03 -3.11 0.06 0.00 -0.01 0.00 0.00 54.79 51.76 2k4v n ASP 115 Cb 0.45 -0.52 0.29 0.00 -1.03 0.00 0.00 41.12 40.31 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2k4v h LEU 116 N 1.21 0.79 0.00 -2.12 8.10 -2.03 -0.80 115.31 120.45 2k4v h LEU 116 Ca 0.02 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.01 2k4v h LEU 116 Cb 1.33 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 41.39 2k4v h LEU 116 CO 0.17 0.50 -0.54 1.21 -4.11 0.00 0.00 178.44 175.67 2k4v n GLU 117 N -4.49 0.28 0.04 0.17 2.13 -1.26 -3.94 120.64 113.57 2k4v n GLU 117 Ca 0.13 0.10 0.13 0.00 0.66 0.00 0.00 57.16 58.19 2k4v n GLU 117 Cb 0.23 -1.70 0.51 0.00 0.27 0.00 0.00 31.44 30.76 2k4v n GLU 117 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2k4v n ARG 118 N -2.12 0.11 0.05 5.31 3.00 -0.31 -1.52 116.66 121.17 2k4v n ARG 118 Ca 0.04 0.08 -0.17 0.00 -0.00 0.00 0.00 57.85 57.80 2k4v n ARG 118 Cb 0.44 -1.62 -0.14 0.00 0.00 0.00 0.00 32.46 31.14 2k4v n ARG 118 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2k4v h ILE 119 N 0.00 1.05 -0.20 5.15 5.03 -1.68 -3.36 117.51 123.50 2k4v h ILE 119 Ca 0.00 -2.72 0.00 0.00 -0.12 0.00 0.00 64.86 62.02 2k4v h ILE 119 Cb 0.60 2.70 0.00 0.00 -3.03 0.00 0.00 36.82 37.09 2k4v h ILE 119 CO 0.00 0.80 0.00 -0.38 -0.68 0.00 0.00 178.15 177.89 2k4v n ILE 120 N -3.43 0.55 -2.44 -0.67 5.41 -0.58 -4.76 119.36 113.44 2k4v n ILE 120 Ca -0.19 -0.36 -0.39 0.00 1.00 0.00 0.00 62.75 62.81 2k4v n ILE 120 Cb 1.05 -0.11 -0.03 0.00 -0.71 0.00 0.00 39.64 39.83 2k4v n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4v s ARG 121 N -1.63 3.22 -0.23 0.38 1.70 -0.69 -4.93 118.95 116.78 2k4v s ARG 121 Ca 0.16 -0.51 -0.16 0.00 -0.47 0.00 0.00 55.73 54.74 2k4v s ARG 121 Cb 0.10 -4.79 0.07 0.00 -0.57 0.00 0.00 34.95 29.76 2k4v s ARG 121 CO 0.08 -2.38 0.58 -3.38 -1.08 0.00 0.00 175.30 169.12 2k4v s HIS 122 N 6.31 -0.79 -0.04 5.89 -3.43 -1.26 -5.07 115.29 116.89 2k4v s HIS 122 Ca 0.47 1.71 -0.05 0.00 -0.80 0.00 0.00 55.06 56.39 2k4v s HIS 122 Cb -0.05 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.45 2k4v s HIS 122 CO 0.04 -0.40 -0.12 0.39 -2.00 0.00 0.00 174.74 172.65 2k4v n GLU 123 N 3.67 0.19 0.00 -0.38 -0.58 -1.26 -5.03 120.64 117.24 2k4v n GLU 123 Ca -0.18 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2k4v n GLU 123 Cb 0.57 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 2k4v n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k4v n GLY 124 N 2.61 0.00 0.00 0.62 0.00 -1.26 -5.35 105.19 101.82 2k4v n GLY 124 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76