#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 2.41 2.68 1.69 0.00 -1.26 -4.94 105.19 105.77 2k4v n GLY 2 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 2k4v n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4v s HIS 3 N 0.00 0.93 -0.27 1.61 3.76 -1.26 -2.63 115.29 117.43 2k4v s HIS 3 Ca 0.00 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 53.92 2k4v s HIS 3 Cb 0.00 -1.13 0.06 0.00 1.11 0.00 0.00 32.58 32.63 2k4v s HIS 3 CO 0.00 -0.71 -0.08 1.41 -0.85 0.00 0.00 174.74 174.50 2k4v s MET 4 N 1.89 2.17 -0.13 1.40 0.00 -0.93 -5.04 119.30 118.65 2k4v s MET 4 Ca 0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 55.69 54.29 2k4v s MET 4 Cb -0.17 -2.95 -0.03 0.00 0.00 0.00 0.00 34.83 31.68 2k4v s MET 4 CO -0.19 -0.62 0.01 0.12 0.00 0.00 0.00 175.02 174.35 2k4v s PHE 5 N 1.09 3.16 0.04 4.11 5.36 -1.26 -1.06 117.98 129.43 2k4v s PHE 5 Ca -0.07 0.04 -0.08 0.00 -0.96 0.00 0.00 56.93 55.86 2k4v s PHE 5 Cb -0.20 -1.91 -0.00 0.00 -0.34 0.00 0.00 43.02 40.57 2k4v s PHE 5 CO -0.05 0.26 0.17 -1.83 -1.46 0.00 0.00 175.22 172.31 2k4v s GLU 6 N -0.23 0.67 -0.31 10.12 -1.05 -0.64 -5.04 118.70 122.21 2k4v s GLU 6 Ca 0.06 -0.68 -0.31 0.00 -0.15 0.00 0.00 54.97 53.89 2k4v s GLU 6 Cb -0.12 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.76 2k4v s GLU 6 CO 0.02 -0.19 2.24 -2.30 0.95 0.00 0.00 175.26 175.98 2k4v n PRO 7 N 0.68 1.46 0.00 -4.83 -0.02 -1.26 -2.09 135.00 128.94 2k4v n PRO 7 Ca -0.19 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2k4v n PRO 7 Cb 0.59 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 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 6.15 1.94 3.19 -1.23 0.00 -1.26 -5.07 105.19 108.91 2k4v n GLY 8 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 -0.29 -0.02 1.61 5.65 -0.89 -2.57 115.29 116.79 2k4v s HIS 9 Ca 0.00 0.67 0.06 0.00 0.25 0.00 0.00 55.06 56.04 2k4v s HIS 9 Cb 0.00 0.10 -0.01 0.00 -1.18 0.00 0.00 32.58 31.49 2k4v s HIS 9 CO 0.00 -0.20 -0.20 -1.17 -0.65 0.00 0.00 174.74 172.53 2k4v s LEU 10 N -0.14 2.03 -0.15 8.88 2.96 -0.40 -1.62 118.68 130.25 2k4v s LEU 10 Ca -0.03 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2k4v s LEU 10 Cb -0.03 -1.01 0.03 0.00 0.50 0.00 0.00 46.19 45.68 2k4v s LEU 10 CO 0.01 0.24 -0.07 -2.28 -1.32 0.00 0.00 176.35 172.93 2k4v s HIS 11 N -0.45 1.70 -0.26 5.38 5.65 -0.22 -0.92 115.29 126.18 2k4v s HIS 11 Ca 0.07 -0.99 0.03 0.00 0.25 0.00 0.00 55.06 54.42 2k4v s HIS 11 Cb -0.08 -1.33 0.06 0.00 -1.18 0.00 0.00 32.58 30.05 2k4v s HIS 11 CO -0.01 -0.59 -0.10 -0.48 -0.65 0.00 0.00 174.74 172.91 2k4v s LEU 12 N 1.64 3.35 0.43 8.88 2.34 -0.30 -2.20 118.68 132.81 2k4v s LEU 12 Ca 0.03 -1.37 0.07 0.00 0.06 0.00 0.00 54.13 52.91 2k4v s LEU 12 Cb -0.14 -1.51 -0.06 0.00 -0.56 0.00 0.00 46.19 43.92 2k4v s LEU 12 CO -0.08 -0.19 0.09 0.68 -1.06 0.00 0.00 176.35 175.78 2k4v s VAL 13 N 1.13 2.03 -0.15 1.48 -7.23 -1.08 -1.04 120.40 115.54 2k4v s VAL 13 Ca -0.09 -1.86 -0.16 0.00 -1.81 0.00 0.00 61.98 58.06 2k4v s VAL 13 Cb -0.20 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 2k4v s VAL 13 CO -0.05 0.00 0.41 -0.55 -0.31 0.00 0.00 175.10 174.60 2k4v s SER 14 N -3.82 6.56 0.47 4.85 0.15 -1.05 -4.75 113.70 116.12 2k4v s SER 14 Ca 0.35 0.66 -0.25 0.00 0.70 0.00 0.00 55.95 57.41 2k4v s SER 14 Cb 0.06 -2.25 -0.08 0.00 -1.71 0.00 0.00 66.02 62.05 2k4v s SER 14 CO 0.18 0.01 1.43 0.00 1.20 0.00 0.00 173.24 176.06 2k4v n LEU 15 N 3.85 5.28 0.00 3.45 -0.00 -1.26 -4.98 117.00 123.33 2k4v n LEU 15 Ca -0.09 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.02 2k4v n LEU 15 Cb 0.51 -1.60 0.00 0.00 -0.00 0.00 0.00 43.42 42.33 2k4v n LEU 15 CO 0.42 -0.21 0.00 -0.81 -0.00 0.00 0.00 177.39 176.78 2k4v n PRO 16 N -0.38 -0.57 0.00 1.47 -0.04 -1.26 -4.63 135.00 129.60 2k4v n PRO 16 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2k4v n PRO 16 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2k4v n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4v n GLY 17 N 3.55 2.47 3.53 0.55 0.00 -1.26 -4.96 105.19 109.08 2k4v n GLY 17 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 2k4v n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4v s LEU 18 N 0.00 3.50 -1.15 0.99 2.01 -1.26 -5.05 118.68 117.72 2k4v s LEU 18 Ca 0.00 -0.08 -0.21 0.00 0.01 0.00 0.00 54.13 53.85 2k4v s LEU 18 Cb 0.00 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.33 2k4v s LEU 18 CO 0.00 0.11 1.73 -0.62 1.01 0.00 0.00 176.35 178.57 2k4v s ASP 19 N 0.76 6.17 0.00 2.29 2.15 -1.26 -4.80 116.67 121.98 2k4v s ASP 19 Ca 0.02 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.19 2k4v s ASP 19 Cb -0.14 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2k4v s ASP 19 CO 0.02 -1.85 0.05 1.67 -0.17 0.00 0.00 175.17 174.90 2k4v n GLN 20 N 8.56 0.00 -3.66 4.34 7.27 -1.26 -5.05 117.38 127.58 2k4v n GLN 20 Ca 0.43 0.18 -0.15 0.00 0.07 0.00 0.00 57.00 57.53 2k4v n GLN 20 Cb 0.48 -0.72 -0.08 0.00 2.41 0.00 0.00 30.24 32.33 2k4v n GLN 20 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2k4v s GLN 21 N -0.46 0.81 -1.27 3.69 0.74 -1.26 -5.08 119.66 116.82 2k4v s GLN 21 Ca 0.00 0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.49 2k4v s GLN 21 Cb 0.00 0.37 0.09 0.00 1.10 0.00 0.00 33.01 34.57 2k4v s GLN 21 CO 0.00 -0.22 2.50 -3.47 -0.55 0.00 0.00 175.29 173.55 2k4v n ASP 22 N 1.40 7.98 -4.64 6.67 2.03 -1.26 -4.72 116.55 124.01 2k4v n ASP 22 Ca -0.19 -3.07 -0.40 0.00 0.52 0.00 0.00 54.79 51.64 2k4v n ASP 22 Cb 0.56 -1.37 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 2k4v n ASP 22 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2k4v s ILE 23 N -0.84 5.01 -0.20 5.18 -5.25 -1.26 -1.21 121.20 122.64 2k4v s ILE 23 Ca 0.56 1.11 -0.05 0.00 -0.99 0.00 0.00 60.65 61.29 2k4v s ILE 23 Cb 0.20 -3.92 0.10 0.00 2.95 0.00 0.00 42.46 41.79 2k4v s ILE 23 CO -0.10 0.07 0.37 0.54 -1.79 0.00 0.00 174.94 174.03 2k4v s ASN 24 N 1.36 0.07 0.01 4.36 2.20 -1.10 -2.52 114.94 119.33 2k4v s ASN 24 Ca 0.26 0.64 0.01 0.00 -0.94 0.00 0.00 52.86 52.83 2k4v s ASN 24 Cb -0.16 1.12 -0.01 0.00 -2.00 0.00 0.00 41.25 40.21 2k4v s ASN 24 CO 0.09 -0.26 -0.03 -0.63 -2.94 0.00 0.00 177.10 173.33 2k4v s ILE 25 N 2.55 0.20 -0.06 0.54 1.01 -0.20 -2.79 121.20 122.45 2k4v s ILE 25 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2k4v s ILE 25 Cb -0.13 -0.26 0.02 0.00 0.01 0.00 0.00 42.46 42.10 2k4v s ILE 25 CO -0.13 -0.21 -0.06 -1.38 0.00 0.00 0.00 174.94 173.16 2k4v s HIS 26 N -0.75 1.02 -0.20 3.97 -3.43 -1.07 -1.15 115.29 113.68 2k4v s HIS 26 Ca -0.07 -0.36 -0.04 0.00 -0.80 0.00 0.00 55.06 53.79 2k4v s HIS 26 Cb -0.05 -0.86 -0.02 0.00 -1.43 0.00 0.00 32.58 30.22 2k4v s HIS 26 CO -0.00 -0.27 -0.02 0.42 -2.00 0.00 0.00 174.74 172.87 2k4v s ILE 27 N 1.10 3.74 -0.25 -5.38 1.01 -0.10 -3.25 121.20 118.07 2k4v s ILE 27 Ca -0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2k4v s ILE 27 Cb -0.14 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 2k4v s ILE 27 CO -0.01 0.43 0.03 -0.13 0.00 0.00 0.00 174.94 175.25 2k4v s ARG 28 N 1.12 3.31 -0.23 2.79 1.81 -0.71 -1.27 118.95 125.77 2k4v s ARG 28 Ca 0.02 -0.69 -0.04 0.00 -1.72 0.00 0.00 55.73 53.30 2k4v s ARG 28 Cb -0.14 -3.21 -0.01 0.00 -0.45 0.00 0.00 34.95 31.14 2k4v s ARG 28 CO 0.01 -0.29 -0.03 1.52 -0.68 0.00 0.00 175.30 175.82 2k4v s TYR 29 N 1.51 2.98 -0.22 -0.53 1.13 -1.06 -1.09 117.35 120.07 2k4v s TYR 29 Ca 0.04 -0.92 0.02 0.00 -1.41 0.00 0.00 57.07 54.80 2k4v s TYR 29 Cb -0.16 -2.12 0.04 0.00 -1.10 0.00 0.00 41.96 38.63 2k4v s TYR 29 CO 0.00 -0.54 -0.12 -1.21 -2.51 0.00 0.00 175.55 171.17 2k4v s GLU 30 N 1.49 2.27 -0.19 -3.49 2.02 -0.25 -4.66 118.70 115.89 2k4v s GLU 30 Ca 0.06 -1.02 -0.29 0.00 0.02 0.00 0.00 54.97 53.74 2k4v s GLU 30 Cb -0.14 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.47 2k4v s GLU 30 CO -0.03 -0.44 1.04 0.08 0.02 0.00 0.00 175.26 175.94 2k4v s VAL 31 N 1.28 4.68 0.10 2.63 1.01 -1.26 -1.26 120.40 127.57 2k4v s VAL 31 Ca -0.03 2.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 2k4v s VAL 31 Cb -0.17 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2k4v s VAL 31 CO -0.08 -0.12 0.03 -0.60 0.00 0.00 0.00 175.10 174.33 2k4v s ARG 32 N 2.84 0.80 -0.25 2.72 3.52 -0.66 -5.02 118.95 122.89 2k4v s ARG 32 Ca 0.46 -1.32 -0.04 0.00 -0.13 0.00 0.00 55.73 54.70 2k4v s ARG 32 Cb -0.16 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 2k4v s ARG 32 CO 0.10 -0.20 -0.00 -0.65 -0.81 0.00 0.00 175.30 173.74 2k4v s GLN 33 N -3.98 3.21 0.02 5.12 -1.52 -1.26 -1.44 119.66 119.80 2k4v s GLN 33 Ca 0.16 -0.75 -0.00 0.00 -1.95 0.00 0.00 55.36 52.81 2k4v s GLN 33 Cb 0.07 -3.13 -0.04 0.00 -0.22 0.00 0.00 33.01 29.70 2k4v s GLN 33 CO -0.04 -0.31 0.13 0.54 -0.25 0.00 0.00 175.29 175.37 2k4v s ASN 34 N 1.46 5.98 0.54 5.90 6.03 0.52 -4.99 114.94 130.39 2k4v s ASN 34 Ca 0.04 0.20 0.33 0.00 -1.03 0.00 0.00 52.86 52.39 2k4v s ASN 34 Cb -0.16 -1.78 1.32 0.00 -3.03 0.00 0.00 41.25 37.61 2k4v s ASN 34 CO -0.01 0.23 1.97 0.00 -2.03 0.00 0.00 177.10 177.26 2k4v h ALA 35 N 3.68 1.01 0.18 3.54 0.00 -2.00 -0.08 119.26 125.59 2k4v h ALA 35 Ca -0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2k4v h ALA 35 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k4v h ALA 35 CO 0.67 0.04 -0.09 1.49 0.00 0.00 0.00 179.25 181.36 2k4v h GLU 36 N 0.00 -0.24 -0.00 0.00 4.57 -2.01 -3.39 114.58 113.51 2k4v h GLU 36 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2k4v h GLU 36 Cb 0.53 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2k4v h GLU 36 CO 0.00 0.17 0.00 0.43 -1.18 0.00 0.00 179.01 178.43 2k4v n SER 37 N -4.98 1.17 0.00 1.04 7.64 -1.23 -5.10 113.62 112.16 2k4v n SER 37 Ca -0.08 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.67 2k4v n SER 37 Cb 0.26 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2k4v n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k4v n GLY 38 N 0.01 1.98 3.78 0.23 0.00 -0.04 -4.81 105.19 106.34 2k4v n GLY 38 Ca 0.01 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.94 3.15 0.27 4.61 0.00 -1.26 -0.35 121.76 126.23 2k4v s ALA 39 Ca 0.00 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.54 2k4v s ALA 39 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 2k4v s ALA 39 CO 0.00 -0.25 0.67 1.52 0.00 0.00 0.00 175.76 177.70 2k4v s TYR 40 N -1.54 -0.08 -0.06 0.00 1.13 -0.52 -1.87 117.35 114.40 2k4v s TYR 40 Ca 0.55 -0.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.90 2k4v s TYR 40 Cb -0.25 0.60 -0.00 0.00 -1.10 0.00 0.00 41.96 41.21 2k4v s TYR 40 CO 0.31 -1.19 -0.20 0.08 -2.51 0.00 0.00 175.55 172.04 2k4v s VAL 41 N -3.94 1.72 -0.14 -3.49 1.01 -0.54 -1.66 120.40 113.37 2k4v s VAL 41 Ca 0.13 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2k4v s VAL 41 Cb -0.05 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2k4v s VAL 41 CO 0.07 0.49 0.26 -2.28 0.00 0.00 0.00 175.10 173.64 2k4v s HIS 42 N 0.14 3.52 -0.06 5.22 5.04 -0.39 -1.66 115.29 127.09 2k4v s HIS 42 Ca -0.09 0.61 0.05 0.00 -1.54 0.00 0.00 55.06 54.09 2k4v s HIS 42 Cb -0.14 -2.24 -0.01 0.00 0.04 0.00 0.00 32.58 30.22 2k4v s HIS 42 CO 0.05 0.39 -0.23 -0.06 -2.34 0.00 0.00 174.74 172.54 2k4v s PHE 43 N -0.02 2.50 -0.04 3.88 0.08 -0.05 -1.09 117.98 123.22 2k4v s PHE 43 Ca 0.16 -0.68 0.05 0.00 0.12 0.00 0.00 56.93 56.58 2k4v s PHE 43 Cb -0.13 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 2k4v s PHE 43 CO 0.04 -0.19 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.29 2k4v s ASP 44 N -0.15 3.74 -0.04 1.36 1.01 -0.25 -1.68 116.67 120.66 2k4v s ASP 44 Ca -0.03 -0.28 0.01 0.00 0.71 0.00 0.00 52.55 52.95 2k4v s ASP 44 Cb -0.14 -0.74 0.02 0.00 1.01 0.00 0.00 42.92 43.07 2k4v s ASP 44 CO 0.04 0.33 -0.03 -0.04 0.21 0.00 0.00 175.17 175.68 2k4v s MET 45 N -0.64 0.70 0.12 8.23 -1.94 -0.62 -1.74 119.30 123.40 2k4v s MET 45 Ca 0.10 -0.04 -0.23 0.00 -1.71 0.00 0.00 55.69 53.80 2k4v s MET 45 Cb -0.11 -0.78 0.06 0.00 2.01 0.00 0.00 34.83 36.01 2k4v s MET 45 CO 0.00 -0.12 0.58 0.34 -0.01 0.00 0.00 175.02 175.81 2k4v s ASP 46 N 1.06 -0.53 0.00 3.03 2.15 -1.20 -0.77 116.67 120.42 2k4v s ASP 46 Ca -0.09 0.08 0.00 0.00 0.43 0.00 0.00 52.55 52.97 2k4v s ASP 46 Cb -0.14 0.56 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 2k4v s ASP 46 CO -0.01 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 2k4v n GLY 47 N -0.10 -0.07 3.55 2.66 0.00 -0.86 -2.59 105.19 107.77 2k4v n GLY 47 Ca -0.17 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 1.43 -0.28 1.61 -1.05 -1.12 -2.42 118.70 116.86 2k4v s GLU 48 Ca 0.00 -0.67 -0.00 0.00 -0.15 0.00 0.00 54.97 54.15 2k4v s GLU 48 Cb 0.00 0.58 0.18 0.00 -0.44 0.00 0.00 34.13 34.45 2k4v s GLU 48 CO 0.00 -0.63 0.53 0.42 0.95 0.00 0.00 175.26 176.53 2k4v s ILE 49 N -3.81 -0.88 -1.03 1.83 1.01 -0.58 -2.69 121.20 115.05 2k4v s ILE 49 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 2k4v s ILE 49 Cb -0.02 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2k4v s ILE 49 CO -0.06 -0.05 0.79 -0.67 0.00 0.00 0.00 174.94 174.94 2k4v n ASP 50 N 5.41 -5.17 0.00 3.58 2.03 -0.35 -3.12 116.55 118.93 2k4v n ASP 50 Ca -0.00 -0.36 0.00 0.00 0.52 0.00 0.00 54.79 54.95 2k4v n ASP 50 Cb 0.51 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 37.09 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4v n GLY 51 N -1.55 2.21 3.66 0.27 0.00 -1.26 -4.98 105.19 103.53 2k4v n GLY 51 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.22 0.58 1.61 -0.14 -1.18 -4.92 119.74 119.90 2k4v s LYS 52 Ca 0.00 0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 55.13 2k4v s LYS 52 Cb 0.00 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 2k4v s LYS 52 CO 0.00 -0.28 1.08 -1.25 -0.76 0.00 0.00 175.35 174.14 2k4v s PRO 53 N 2.04 3.29 -0.02 -1.68 0.04 -1.26 -1.52 135.00 135.89 2k4v s PRO 53 Ca 0.30 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 2k4v s PRO 53 Cb -0.16 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2k4v s PRO 53 CO 0.10 -0.85 0.15 -0.59 0.04 0.00 0.00 177.00 175.85 2k4v s PHE 54 N -2.18 -0.03 -0.16 0.56 -0.71 -1.02 -4.93 117.98 109.52 2k4v s PHE 54 Ca 0.67 0.05 -0.04 0.00 -1.04 0.00 0.00 56.93 56.58 2k4v s PHE 54 Cb -0.19 -0.01 0.08 0.00 -1.21 0.00 0.00 43.02 41.69 2k4v s PHE 54 CO 0.32 -0.22 0.23 -1.12 -1.34 0.00 0.00 175.22 173.09 2k4v s SER 55 N -0.90 0.96 0.13 1.98 0.01 -1.26 -2.02 113.70 112.59 2k4v s SER 55 Ca -0.10 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2k4v s SER 55 Cb -0.06 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 2k4v s SER 55 CO 0.01 -0.29 -0.08 -1.81 0.41 0.00 0.00 173.24 171.48 2k4v s ASP 56 N 2.35 1.49 -0.17 2.44 1.11 0.05 -5.02 116.67 118.92 2k4v s ASP 56 Ca 0.05 -1.02 -0.13 0.00 0.18 0.00 0.00 52.55 51.63 2k4v s ASP 56 Cb -0.14 0.04 0.05 0.00 1.07 0.00 0.00 42.92 43.94 2k4v s ASP 56 CO -0.10 -0.40 0.44 -0.94 1.18 0.00 0.00 175.17 175.35 2k4v s SER 57 N -3.12 -0.49 0.00 0.27 1.04 -1.26 -1.59 113.70 108.56 2k4v s SER 57 Ca 0.15 0.91 0.01 0.00 0.48 0.00 0.00 55.95 57.50 2k4v s SER 57 Cb 0.04 0.87 -0.01 0.00 0.10 0.00 0.00 66.02 67.02 2k4v s SER 57 CO -0.02 -0.17 -0.05 0.72 0.98 0.00 0.00 173.24 174.71 2k4v s PHE 58 N 0.66 0.43 -0.16 5.02 -0.71 -0.68 -5.01 117.98 117.53 2k4v s PHE 58 Ca -0.03 -0.14 -0.01 0.00 -1.04 0.00 0.00 56.93 55.71 2k4v s PHE 58 Cb -0.05 -0.27 -0.00 0.00 -1.21 0.00 0.00 43.02 41.48 2k4v s PHE 58 CO -0.04 -0.02 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.47 2k4v s GLU 59 N -0.32 3.27 -0.16 1.99 8.01 -1.26 -0.87 118.70 129.35 2k4v s GLU 59 Ca -0.00 -0.72 -0.01 0.00 0.01 0.00 0.00 54.97 54.26 2k4v s GLU 59 Cb -0.03 -2.69 -0.01 0.00 -4.31 0.00 0.00 34.13 27.09 2k4v s GLU 59 CO -0.00 0.00 -0.13 -0.51 0.01 0.00 0.00 175.26 174.63 2k4v s LEU 60 N 0.87 2.61 0.82 1.80 1.43 -0.66 -5.02 118.68 120.52 2k4v s LEU 60 Ca -0.04 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2k4v s LEU 60 Cb -0.15 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.55 2k4v s LEU 60 CO -0.00 0.09 1.19 -2.16 0.23 0.00 0.00 176.35 175.70 2k4v s PRO 61 N 0.82 1.60 0.31 1.29 0.04 -1.26 -1.46 135.00 136.33 2k4v s PRO 61 Ca -0.04 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2k4v s PRO 61 Cb -0.15 -1.78 0.85 0.00 0.04 0.00 0.00 34.50 33.47 2k4v s PRO 61 CO 0.00 -2.23 1.59 -0.09 0.04 0.00 0.00 177.00 176.31 2k4v h ARG 62 N -1.00 0.05 0.00 4.56 2.43 -1.69 0.38 114.38 119.12 2k4v h ARG 62 Ca -0.46 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2k4v h ARG 62 Cb 1.29 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2k4v h ARG 62 CO 0.46 0.03 -0.02 0.22 -1.51 0.00 0.00 179.97 179.15 2k4v h ASP 63 N 0.05 0.00 0.00 -3.80 3.58 -1.91 -2.78 116.42 111.56 2k4v h ASP 63 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 2k4v h ASP 63 Cb 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2k4v h ASP 63 CO -0.83 0.02 -0.24 0.35 -2.88 0.00 0.00 179.24 175.66 2k4v n THR 64 N -3.85 0.68 -0.10 2.25 -2.24 0.03 -4.87 114.28 106.19 2k4v n THR 64 Ca -0.03 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 2k4v n THR 64 Cb 0.10 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.40 0.00 6.98 0.00 -0.04 -2.76 119.26 123.84 2k4v h ALA 65 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k4v h ALA 65 Cb 1.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k4v h ALA 65 CO 0.00 0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.72 2k4v n PHE 66 N -4.42 0.00 1.95 0.00 3.72 -1.26 -2.07 117.46 115.38 2k4v n PHE 66 Ca -0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 2k4v n PHE 66 Cb 0.37 -0.24 0.50 0.00 -0.94 0.00 0.00 39.48 39.17 2k4v n PHE 66 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2k4v n ASN 67 N -1.24 0.00 0.30 4.37 4.13 -1.04 -4.22 115.26 117.56 2k4v n ASN 67 Ca 0.08 -1.42 0.20 0.00 1.68 0.00 0.00 54.58 55.12 2k4v n ASN 67 Cb 0.11 0.00 1.00 0.00 -1.54 0.00 0.00 39.78 39.35 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 -0.04 3.10 -0.00 -1.60 -3.20 116.94 115.20 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 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 35.96 2k4v h PHE 68 CO 0.00 0.00 -0.76 0.00 -0.00 0.00 0.00 178.31 177.55 2k4v h ALA 69 N 2.01 0.14 -0.25 12.09 0.00 -1.87 -0.30 119.26 131.08 2k4v h ALA 69 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 2k4v h ALA 69 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k4v h ALA 69 CO 0.00 0.51 -0.58 0.77 0.00 0.00 0.00 179.25 179.95 2k4v h SER 70 N 0.18 0.90 -0.01 0.00 0.02 -1.90 -3.10 113.55 109.64 2k4v h SER 70 Ca -0.08 -0.49 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2k4v h SER 70 Cb 1.43 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2k4v h SER 70 CO 0.15 1.28 -0.07 -0.78 -1.14 0.00 0.00 176.83 176.27 2k4v h ASP 71 N 0.61 0.07 -0.83 3.07 3.58 -1.59 -2.09 116.42 119.24 2k4v h ASP 71 Ca 0.01 -0.73 0.05 0.00 0.42 0.00 0.00 57.03 56.78 2k4v h ASP 71 Cb 1.17 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 42.15 2k4v h ASP 71 CO 0.12 0.79 0.52 0.00 -2.88 0.00 0.00 179.24 177.79 2k4v h ALA 72 N 0.29 1.13 -0.39 -0.78 0.00 -1.18 0.66 119.26 118.99 2k4v h ALA 72 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k4v h ALA 72 Cb 0.79 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k4v h ALA 72 CO 0.01 0.30 -0.03 1.15 0.00 0.00 0.00 179.25 180.68 2k4v h THR 73 N 0.98 1.27 -0.97 0.00 2.02 -1.63 -1.61 112.91 112.98 2k4v h THR 73 Ca 0.35 -1.07 0.16 0.00 0.77 0.00 0.00 66.41 66.63 2k4v h THR 73 Cb 0.10 1.18 -0.09 0.00 -1.74 0.00 0.00 68.15 67.61 2k4v h THR 73 CO -0.15 0.36 0.61 -0.09 0.37 0.00 0.00 175.52 176.62 2k4v h ARG 74 N 0.52 0.73 -0.27 6.66 2.43 -0.75 -0.73 114.38 122.97 2k4v h ARG 74 Ca 0.11 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.05 2k4v h ARG 74 Cb 0.52 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2k4v h ARG 74 CO 0.03 0.49 -0.53 0.28 -1.51 0.00 0.00 179.97 178.72 2k4v h VAL 75 N 0.76 1.29 -0.01 0.20 2.07 -0.59 -2.24 116.25 117.72 2k4v h VAL 75 Ca 0.52 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2k4v h VAL 75 Cb 0.80 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2k4v h VAL 75 CO -0.28 0.56 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 2k4v h ALA 76 N 0.78 0.02 0.00 1.67 0.00 -0.46 -3.02 119.26 118.25 2k4v h ALA 76 Ca 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2k4v h ALA 76 Cb 1.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k4v h ALA 76 CO 0.11 -0.22 -0.22 -0.56 0.00 0.00 0.00 179.25 178.36 2k4v h GLN 77 N -0.44 0.00 -0.00 0.00 3.07 -1.26 -2.22 115.11 114.25 2k4v h GLN 77 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2k4v h GLN 77 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.06 2k4v h GLN 77 CO 0.00 0.22 -0.04 -0.22 0.09 0.00 0.00 178.83 178.88 2k4v h LYS 78 N 0.00 0.00 -0.73 0.06 3.64 -1.27 -1.80 116.57 116.47 2k4v h LYS 78 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k4v h LYS 78 Cb 0.67 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2k4v h LYS 78 CO 0.03 0.04 0.00 0.72 -2.27 0.00 0.00 179.45 177.97 2k4v n HIS 79 N -4.49 1.05 -1.32 1.91 8.25 -0.87 -4.95 115.22 114.81 2k4v n HIS 79 Ca -0.03 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 2k4v n HIS 79 Cb 0.12 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k4v n GLY 80 N 1.61 0.78 0.28 -1.41 0.00 -0.68 -4.86 105.19 100.92 2k4v n GLY 80 Ca 0.25 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2k4v n GLY 80 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k4v h LEU 81 N 0.00 -0.70 -7.19 0.99 5.85 -1.59 -3.46 115.31 109.21 2k4v h LEU 81 Ca 0.00 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2k4v h LEU 81 Cb 0.57 0.26 -0.17 0.00 0.37 0.00 0.00 40.66 41.69 2k4v h LEU 81 CO 0.00 -0.34 0.04 -1.00 -0.34 0.00 0.00 178.44 176.79 2k4v s HIS 82 N -6.07 -0.44 0.00 1.25 3.76 -1.26 -4.94 115.29 107.59 2k4v s HIS 82 Ca -0.16 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 2k4v s HIS 82 Cb 0.07 0.34 0.00 0.00 1.11 0.00 0.00 32.58 34.10 2k4v s HIS 82 CO 0.65 -0.62 0.00 -2.30 -0.85 0.00 0.00 174.74 171.62 2k4v n PRO 83 N 0.54 -0.43 0.00 8.40 -0.02 -1.26 -4.51 135.00 137.71 2k4v n PRO 83 Ca -0.19 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.34 2k4v n PRO 83 Cb 0.60 0.00 0.21 0.00 -0.02 0.00 0.00 33.50 34.28 2k4v n PRO 83 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k4v n LYS 84 N -1.08 0.07 0.24 -0.52 5.02 -1.26 -1.90 118.16 118.73 2k4v n LYS 84 Ca 0.00 0.27 0.10 0.00 -2.02 0.00 0.00 58.31 56.66 2k4v n LYS 84 Cb 0.00 -1.50 0.59 0.00 -0.02 0.00 0.00 35.03 34.10 2k4v n LYS 84 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2k4v h PHE 85 N 0.00 0.00 0.00 2.13 0.04 -2.06 -3.47 116.94 113.58 2k4v h PHE 85 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k4v h PHE 85 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2k4v h PHE 85 CO 0.00 0.20 0.00 0.41 -0.60 0.00 0.00 178.31 178.32 2k4v n GLY 86 N -0.43 3.47 0.39 -1.45 0.00 -0.80 -5.01 105.19 101.36 2k4v n GLY 86 Ca -0.01 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 2k4v n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v h ALA 87 N 0.00 -1.03 -1.80 4.61 0.00 -1.79 -3.42 119.26 115.83 2k4v h ALA 87 Ca 0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 54.91 54.33 2k4v h ALA 87 Cb 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 17.79 17.87 2k4v h ALA 87 CO 0.00 -0.96 -0.72 0.96 0.00 0.00 0.00 179.25 178.53 2k4v s ILE 88 N -4.73 -0.32 -0.04 0.00 -4.36 -1.26 -4.60 121.20 105.89 2k4v s ILE 88 Ca -0.14 -1.48 -0.24 0.00 -0.26 0.00 0.00 60.65 58.52 2k4v s ILE 88 Cb 0.01 -0.65 -0.22 0.00 1.25 0.00 0.00 42.46 42.85 2k4v s ILE 88 CO 0.42 -0.62 1.08 0.74 0.24 0.00 0.00 174.94 176.79 2k4v h THR 89 N 4.89 1.52 -0.87 8.37 2.02 -1.95 -3.20 112.91 123.68 2k4v h THR 89 Ca 0.12 -1.81 -0.50 0.00 0.77 0.00 0.00 66.41 64.99 2k4v h THR 89 Cb 1.03 2.63 -0.14 0.00 -1.74 0.00 0.00 68.15 69.93 2k4v h THR 89 CO 0.20 0.50 0.78 0.54 0.37 0.00 0.00 175.52 177.91 2k4v n ARG 90 N -4.55 2.80 -2.23 6.66 5.12 -1.26 -4.97 116.66 118.24 2k4v n ARG 90 Ca -0.09 -2.34 -0.42 0.00 -1.93 0.00 0.00 57.85 53.07 2k4v n ARG 90 Cb 0.46 -2.24 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 2k4v n ARG 90 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k4v s VAL 91 N -1.36 3.34 0.25 1.55 0.11 -1.21 -5.02 120.40 118.05 2k4v s VAL 91 Ca 0.60 1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 60.38 2k4v s VAL 91 Cb 0.33 -3.66 -0.09 0.00 -1.53 0.00 0.00 36.38 31.43 2k4v s VAL 91 CO -0.16 0.12 1.03 -1.00 -3.33 0.00 0.00 175.10 171.76 2k4v s HIS 92 N 0.54 3.76 -0.31 1.54 3.76 -1.26 -4.96 115.29 118.37 2k4v s HIS 92 Ca 0.59 1.79 -0.06 0.00 -0.15 0.00 0.00 55.06 57.24 2k4v s HIS 92 Cb -0.36 -3.15 -0.17 0.00 1.11 0.00 0.00 32.58 30.01 2k4v s HIS 92 CO 0.34 -0.10 3.35 0.36 -0.85 0.00 0.00 174.74 177.85 2k4v n LYS 93 N 1.44 2.35 0.00 1.40 -0.00 -1.26 -4.44 118.16 117.65 2k4v n LYS 93 Ca -0.01 -1.48 0.11 0.00 -0.00 0.00 0.00 58.31 56.92 2k4v n LYS 93 Cb 0.46 -2.14 0.49 0.00 -0.00 0.00 0.00 35.03 33.84 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k4v n GLU 94 N 2.27 0.08 -0.33 -1.58 -0.58 -1.26 -3.08 120.64 116.16 2k4v n GLU 94 Ca 0.49 0.11 0.07 0.00 -0.42 0.00 0.00 57.16 57.41 2k4v n GLU 94 Cb 0.75 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 30.35 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2k4v h TYR 95 N 0.00 0.97 -1.01 -0.32 3.20 -1.99 -2.63 116.97 115.19 2k4v h TYR 95 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2k4v h TYR 95 Cb 0.33 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 2k4v h TYR 95 CO 0.00 0.32 0.65 -0.44 -1.64 0.00 0.00 178.16 177.05 2k4v h ASP 96 N 0.81 1.07 -0.07 -2.11 3.32 -1.94 0.27 116.42 117.76 2k4v h ASP 96 Ca 0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.43 2k4v h ASP 96 Cb 0.58 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2k4v h ASP 96 CO -0.31 0.70 -0.34 0.00 -1.72 0.00 0.00 179.24 177.57 2k4v h ALA 97 N 1.43 0.14 -0.32 3.45 0.00 -1.72 -2.20 119.26 120.04 2k4v h ALA 97 Ca 0.42 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k4v h ALA 97 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k4v h ALA 97 CO -0.15 0.21 0.02 1.98 0.00 0.00 0.00 179.25 181.31 2k4v h MET 98 N -0.13 0.48 0.03 0.00 1.85 -1.34 -0.01 114.93 115.81 2k4v h MET 98 Ca -0.02 -0.09 0.01 0.00 -0.61 0.00 0.00 59.70 58.98 2k4v h MET 98 Cb 0.99 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.94 2k4v h MET 98 CO 0.07 0.50 -0.07 0.35 -0.40 0.00 0.00 176.91 177.36 2k4v h PHE 99 N 0.47 -0.18 0.00 1.39 3.57 -0.46 -0.87 116.94 120.86 2k4v h PHE 99 Ca 0.11 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2k4v h PHE 99 Cb 0.28 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2k4v h PHE 99 CO 0.01 -0.11 -0.32 0.93 -2.23 0.00 0.00 178.31 176.58 2k4v h GLU 100 N -0.14 0.00 0.25 1.11 5.08 -0.91 -1.12 114.58 118.84 2k4v h GLU 100 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k4v h GLU 100 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k4v h GLU 100 CO -0.05 0.32 -0.12 0.22 -1.00 0.00 0.00 179.01 178.38 2k4v h ASP 101 N 0.00 -0.28 -0.93 1.42 1.82 -0.85 -2.90 116.42 114.71 2k4v h ASP 101 Ca -0.00 -0.24 0.01 0.00 -0.39 0.00 0.00 57.03 56.40 2k4v h ASP 101 Cb 0.72 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 40.76 2k4v h ASP 101 CO 0.04 0.20 0.60 0.40 -1.61 0.00 0.00 179.24 178.88 2k4v h ILE 102 N -0.88 1.24 -0.03 2.25 2.04 -1.09 -0.34 117.51 120.70 2k4v h ILE 102 Ca -0.03 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2k4v h ILE 102 Cb 0.51 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2k4v h ILE 102 CO 0.06 0.24 -0.13 0.08 0.00 0.00 0.00 178.15 178.39 2k4v h ARG 103 N 1.26 0.04 -0.01 2.37 -0.00 -1.32 -0.61 114.38 116.11 2k4v h ARG 103 Ca 0.34 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.98 60.19 2k4v h ARG 103 Cb -0.13 -0.01 0.01 0.00 -0.00 0.00 0.00 29.97 29.84 2k4v h ARG 103 CO -0.07 0.18 -0.46 0.00 -0.00 0.00 0.00 179.97 179.62 2k4v h ALA 104 N 1.83 0.07 -1.00 0.08 0.00 -1.11 -2.91 119.26 116.22 2k4v h ALA 104 Ca 0.01 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2k4v h ALA 104 Cb 0.26 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2k4v h ALA 104 CO 0.02 0.25 0.66 0.87 0.00 0.00 0.00 179.25 181.05 2k4v h LYS 105 N -0.22 1.27 0.00 0.00 1.79 -0.84 -2.08 116.57 116.49 2k4v h LYS 105 Ca -0.05 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2k4v h LYS 105 Cb 1.18 -0.29 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2k4v h LYS 105 CO 0.09 0.84 -0.07 -0.07 -1.08 0.00 0.00 179.45 179.16 2k4v h LEU 106 N 1.31 0.00 -0.24 2.94 4.07 -1.16 -1.61 115.31 120.61 2k4v h LEU 106 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 2k4v h LEU 106 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2k4v h LEU 106 CO -0.11 0.07 0.00 -0.74 -1.08 0.00 0.00 178.44 176.58 2k4v h HIS 107 N 0.00 0.00 0.00 1.13 2.76 -1.17 -3.48 115.15 114.39 2k4v h HIS 107 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k4v h HIS 107 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2k4v h HIS 107 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 2k4v n ALA 108 N -1.91 0.00 -2.65 5.26 0.00 -0.61 -4.88 120.51 115.73 2k4v n ALA 108 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2k4v n ALA 108 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.06 3.13 -0.01 0.00 3.76 -1.26 -4.90 115.29 115.95 2k4v s HIS 109 Ca 0.00 -0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 54.11 2k4v s HIS 109 Cb 0.00 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 2k4v s HIS 109 CO 0.00 -0.86 1.20 -1.25 -0.85 0.00 0.00 174.74 172.99 2k4v s PRO 110 N 2.30 4.39 -1.01 8.40 0.04 -1.25 -4.84 135.00 143.04 2k4v s PRO 110 Ca 0.13 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 2k4v s PRO 110 Cb -0.19 -3.48 0.22 0.00 0.04 0.00 0.00 34.50 31.09 2k4v s PRO 110 CO 0.12 -0.37 1.05 0.20 0.04 0.00 0.00 177.00 178.05 2k4v s GLY 111 N 1.33 2.70 0.15 0.56 0.00 -1.26 -5.04 107.32 105.76 2k4v s GLY 111 Ca 0.57 -3.42 -0.31 0.00 0.00 0.00 0.00 44.72 41.56 2k4v s GLY 111 CO 0.25 1.53 1.69 -1.83 0.00 0.00 0.00 173.10 174.74 2k4v s GLU 112 N 0.31 4.17 -0.40 2.90 1.03 -1.26 -4.85 118.70 120.60 2k4v s GLU 112 Ca 0.29 2.48 -0.28 0.00 0.03 0.00 0.00 54.97 57.49 2k4v s GLU 112 Cb -0.08 -3.30 -0.03 0.00 -0.80 0.00 0.00 34.13 29.92 2k4v s GLU 112 CO -0.07 -0.72 1.94 -1.25 -1.33 0.00 0.00 175.26 173.82 2k4v s PRO 113 N 1.76 3.00 0.42 -4.83 0.04 -1.26 -5.00 135.00 129.13 2k4v s PRO 113 Ca 0.75 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 2k4v s PRO 113 Cb -0.45 -4.31 -0.10 0.00 0.04 0.00 0.00 34.50 29.68 2k4v s PRO 113 CO 0.33 -2.26 0.98 0.54 0.04 0.00 0.00 177.00 176.63 2k4v s VAL 114 N 8.22 4.15 -0.08 -0.36 0.11 -1.26 -5.01 120.40 126.16 2k4v s VAL 114 Ca 0.82 1.43 0.12 0.00 -2.93 0.00 0.00 61.98 61.41 2k4v s VAL 114 Cb -0.21 -3.63 0.18 0.00 -1.53 0.00 0.00 36.38 31.19 2k4v s VAL 114 CO 0.30 -0.20 1.07 -0.90 -3.33 0.00 0.00 175.10 172.04 2k4v n ASP 115 N -0.49 1.75 -0.11 3.54 5.75 -1.26 -4.79 116.55 120.95 2k4v n ASP 115 Ca 0.07 -2.63 0.01 0.00 -0.01 0.00 0.00 54.79 52.22 2k4v n ASP 115 Cb 0.53 -0.30 0.29 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.00 0.68 0.01 -2.12 8.10 -2.01 -1.55 115.31 118.42 2k4v h LEU 116 Ca 0.00 -0.06 -0.23 0.00 0.11 0.00 0.00 57.88 57.70 2k4v h LEU 116 Cb 1.00 -0.17 -0.03 0.00 -0.44 0.00 0.00 40.66 41.01 2k4v h LEU 116 CO 0.00 0.57 -1.19 -0.08 -4.11 0.00 0.00 178.44 173.63 2k4v h GLU 117 N 0.77 0.01 0.00 0.17 4.81 -1.94 -3.33 114.58 115.07 2k4v h GLU 117 Ca 0.19 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2k4v h GLU 117 Cb 0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k4v h GLU 117 CO -0.03 0.88 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.79 2k4v h ARG 118 N 0.00 0.00 -0.01 1.92 2.43 -1.65 -0.86 114.38 116.22 2k4v h ARG 118 Ca -0.09 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 2k4v h ARG 118 Cb 1.84 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.37 2k4v h ARG 118 CO 0.12 0.26 -0.59 0.82 -1.51 0.00 0.00 179.97 179.07 2k4v h ILE 119 N 0.00 1.42 -0.74 1.20 1.08 -1.43 -3.38 117.51 115.66 2k4v h ILE 119 Ca -0.00 -2.01 -0.56 0.00 -0.39 0.00 0.00 64.86 61.89 2k4v h ILE 119 Cb 0.50 2.07 -0.07 0.00 -3.07 0.00 0.00 36.82 36.26 2k4v h ILE 119 CO 0.03 0.58 1.83 -0.63 -0.69 0.00 0.00 178.15 179.26 2k4v s ILE 120 N -3.70 3.93 -0.44 -0.67 1.01 -0.33 -4.84 121.20 116.17 2k4v s ILE 120 Ca -0.02 -1.57 0.04 0.00 0.00 0.00 0.00 60.65 59.10 2k4v s ILE 120 Cb 0.13 -4.99 0.12 0.00 0.01 0.00 0.00 42.46 37.72 2k4v s ILE 120 CO 0.76 -1.69 0.16 -0.13 0.00 0.00 0.00 174.94 174.05 2k4v s ARG 121 N 4.97 1.75 0.09 2.79 0.52 -1.26 -4.99 118.95 122.82 2k4v s ARG 121 Ca 0.59 -2.28 -0.31 0.00 -0.52 0.00 0.00 55.73 53.21 2k4v s ARG 121 Cb 0.02 -3.27 -0.08 0.00 0.52 0.00 0.00 34.95 32.14 2k4v s ARG 121 CO 0.09 -1.03 1.56 -1.58 0.02 0.00 0.00 175.30 174.37 2k4v s HIS 122 N 0.26 2.74 0.14 -0.53 5.65 -1.26 -5.00 115.29 117.29 2k4v s HIS 122 Ca 0.14 0.54 -0.18 0.00 0.25 0.00 0.00 55.06 55.81 2k4v s HIS 122 Cb -0.23 -3.88 -0.07 0.00 -1.18 0.00 0.00 32.58 27.22 2k4v s HIS 122 CO -0.04 -3.38 0.61 -2.00 -0.65 0.00 0.00 174.74 169.29 2k4v s GLU 123 N 2.06 4.15 0.03 2.88 2.56 -1.26 -4.88 118.70 124.25 2k4v s GLU 123 Ca 0.70 0.70 0.00 0.00 0.00 0.00 0.00 54.97 56.38 2k4v s GLU 123 Cb -0.39 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 32.71 2k4v s GLU 123 CO 0.31 0.51 0.00 0.41 -0.56 0.00 0.00 175.26 175.93 2k4v n GLY 124 N 1.10 -0.69 0.00 -1.50 0.00 -1.26 -5.34 105.19 97.51 2k4v n GLY 124 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18