#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 -2.47 1.89 2.61 0.00 -1.26 -4.63 105.19 101.32 2k4v n GLY 2 Ca 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 2k4v n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k4v n HIS 3 N -2.47 2.19 -2.95 1.61 1.44 -1.26 -4.95 115.22 108.82 2k4v n HIS 3 Ca -0.01 -0.98 -0.19 0.00 -2.01 0.00 0.00 57.72 54.53 2k4v n HIS 3 Cb 0.09 -0.60 0.05 0.00 0.12 0.00 0.00 29.99 29.65 2k4v n HIS 3 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2k4v s MET 4 N -2.74 2.45 0.20 -1.40 -2.45 -1.26 -4.62 119.30 109.48 2k4v s MET 4 Ca 0.51 -1.37 -0.30 0.00 -1.25 0.00 0.00 55.69 53.28 2k4v s MET 4 Cb 0.40 -2.64 -0.08 0.00 1.25 0.00 0.00 34.83 33.76 2k4v s MET 4 CO 0.13 -0.69 1.04 0.12 1.05 0.00 0.00 175.02 176.67 2k4v s PHE 5 N -2.61 3.73 0.15 4.11 5.36 -1.26 -4.24 117.98 123.21 2k4v s PHE 5 Ca 0.59 1.74 0.09 0.00 -0.96 0.00 0.00 56.93 58.39 2k4v s PHE 5 Cb -0.08 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.40 2k4v s PHE 5 CO 0.37 -0.18 -0.19 -1.83 -1.46 0.00 0.00 175.22 171.93 2k4v s GLU 6 N -0.74 1.24 -0.24 10.12 -1.05 -0.61 -4.79 118.70 122.63 2k4v s GLU 6 Ca 0.46 -1.34 -0.28 0.00 -0.15 0.00 0.00 54.97 53.66 2k4v s GLU 6 Cb -0.28 -1.38 -0.05 0.00 -0.44 0.00 0.00 34.13 31.99 2k4v s GLU 6 CO 0.35 0.29 2.17 -1.25 0.95 0.00 0.00 175.26 177.77 2k4v s PRO 7 N -2.50 3.14 0.00 -4.83 0.04 -1.26 -1.99 135.00 127.59 2k4v s PRO 7 Ca 0.13 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2k4v s PRO 7 Cb -0.07 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2k4v s PRO 7 CO 0.06 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.41 2k4v n GLY 8 N 5.73 0.78 3.64 0.56 0.00 -1.26 -5.06 105.19 109.58 2k4v n GLY 8 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.18 -0.01 1.61 5.65 -0.84 -3.28 115.29 115.23 2k4v s HIS 9 Ca 0.00 2.22 -0.02 0.00 0.25 0.00 0.00 55.06 57.50 2k4v s HIS 9 Cb 0.00 0.71 -0.04 0.00 -1.18 0.00 0.00 32.58 32.07 2k4v s HIS 9 CO 0.00 -0.59 0.16 -1.17 -0.65 0.00 0.00 174.74 172.49 2k4v s LEU 10 N 2.14 4.27 -0.17 8.88 2.96 0.15 -1.57 118.68 135.34 2k4v s LEU 10 Ca -0.08 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2k4v s LEU 10 Cb -0.08 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.14 2k4v s LEU 10 CO -0.20 0.27 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.71 2k4v s HIS 11 N -1.28 2.23 -0.44 5.38 5.65 -1.26 -1.17 115.29 124.40 2k4v s HIS 11 Ca 0.26 -1.36 -0.22 0.00 0.25 0.00 0.00 55.06 53.98 2k4v s HIS 11 Cb -0.12 -1.59 0.02 0.00 -1.18 0.00 0.00 32.58 29.71 2k4v s HIS 11 CO 0.17 -0.69 0.72 -0.51 -0.65 0.00 0.00 174.74 173.78 2k4v s LEU 12 N 1.46 4.36 0.09 8.88 1.43 -0.18 -4.46 118.68 130.27 2k4v s LEU 12 Ca 0.02 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 2k4v s LEU 12 Cb -0.14 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 2k4v s LEU 12 CO -0.09 -0.86 -0.19 -0.69 0.23 0.00 0.00 176.35 174.75 2k4v s VAL 13 N 3.08 1.57 0.66 -1.59 1.01 -1.26 -1.09 120.40 122.79 2k4v s VAL 13 Ca 0.27 -1.48 -0.11 0.00 0.00 0.00 0.00 61.98 60.66 2k4v s VAL 13 Cb -0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2k4v s VAL 13 CO 0.21 -0.09 1.05 -0.55 0.00 0.00 0.00 175.10 175.72 2k4v s SER 14 N -1.84 5.76 0.25 3.32 0.15 -1.24 -4.98 113.70 115.13 2k4v s SER 14 Ca 0.04 1.48 -0.28 0.00 0.70 0.00 0.00 55.95 57.89 2k4v s SER 14 Cb -0.10 -2.43 -0.15 0.00 -1.71 0.00 0.00 66.02 61.63 2k4v s SER 14 CO 0.04 -1.18 0.85 0.00 1.20 0.00 0.00 173.24 174.15 2k4v n LEU 15 N -2.95 0.77 0.00 3.45 -0.00 -1.26 -5.02 117.00 111.98 2k4v n LEU 15 Ca 0.07 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.24 2k4v n LEU 15 Cb 0.54 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 2k4v n LEU 15 CO 0.57 -1.93 0.00 -0.81 -0.00 0.00 0.00 177.39 175.22 2k4v n PRO 16 N 0.85 0.97 0.00 1.47 -0.04 -1.26 -4.54 135.00 132.45 2k4v n PRO 16 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2k4v n PRO 16 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 3.15 1.92 3.08 0.55 0.00 -1.26 -4.74 105.19 107.90 2k4v n GLY 17 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2k4v n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4v s LEU 18 N 0.00 1.88 -1.03 0.99 2.96 -1.26 -5.07 118.68 117.14 2k4v s LEU 18 Ca 0.00 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.15 2k4v s LEU 18 Cb 0.00 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 2k4v s LEU 18 CO 0.00 0.00 1.79 1.51 -1.32 0.00 0.00 176.35 178.33 2k4v s ASP 19 N 1.17 5.68 -0.10 3.68 -4.77 -1.26 -4.82 116.67 116.24 2k4v s ASP 19 Ca -0.01 -1.27 -0.19 0.00 -3.30 0.00 0.00 52.55 47.78 2k4v s ASP 19 Cb -0.14 -2.57 -0.16 0.00 -1.09 0.00 0.00 42.92 38.96 2k4v s ASP 19 CO -0.07 -2.29 0.59 -0.61 0.70 0.00 0.00 175.17 173.49 2k4v h GLN 20 N 10.16 -0.05 -3.21 2.11 5.75 -1.95 -3.48 115.11 124.45 2k4v h GLN 20 Ca 0.19 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 2k4v h GLN 20 Cb 0.98 0.01 -0.21 0.00 1.07 0.00 0.00 27.48 29.33 2k4v h GLN 20 CO 1.30 0.52 -0.38 -1.14 -2.65 0.00 0.00 178.83 176.48 2k4v s GLN 21 N -2.37 0.52 -0.88 1.69 0.74 -1.26 -5.08 119.66 113.02 2k4v s GLN 21 Ca -0.12 -0.13 -0.05 0.00 0.05 0.00 0.00 55.36 55.10 2k4v s GLN 21 Cb -0.01 0.23 0.05 0.00 1.10 0.00 0.00 33.01 34.38 2k4v s GLN 21 CO 0.44 -0.13 2.69 -3.47 -0.55 0.00 0.00 175.29 174.28 2k4v n ASP 22 N 1.72 7.23 -4.59 6.67 2.03 -1.26 -4.69 116.55 123.66 2k4v n ASP 22 Ca -0.20 -3.07 -0.42 0.00 0.52 0.00 0.00 54.79 51.62 2k4v n ASP 22 Cb 0.56 -1.33 -0.05 0.00 -0.72 0.00 0.00 41.12 39.58 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 -1.18 4.79 -0.21 5.18 -5.25 -1.26 -0.80 121.20 122.47 2k4v s ILE 23 Ca 0.58 0.91 -0.04 0.00 -0.99 0.00 0.00 60.65 61.11 2k4v s ILE 23 Cb 0.28 -4.16 0.10 0.00 2.95 0.00 0.00 42.46 41.63 2k4v s ILE 23 CO -0.14 -0.35 0.24 0.54 -1.79 0.00 0.00 174.94 173.45 2k4v s ASN 24 N 1.77 1.20 0.00 4.36 2.20 -0.81 -3.60 114.94 120.06 2k4v s ASN 24 Ca 0.30 -0.15 0.04 0.00 -0.94 0.00 0.00 52.86 52.11 2k4v s ASN 24 Cb -0.14 0.49 -0.01 0.00 -2.00 0.00 0.00 41.25 39.59 2k4v s ASN 24 CO 0.15 -0.32 -0.13 -0.63 -2.94 0.00 0.00 177.10 173.23 2k4v s ILE 25 N 2.36 1.04 -0.23 0.54 1.01 -0.25 -2.13 121.20 123.54 2k4v s ILE 25 Ca 0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 2k4v s ILE 25 Cb -0.16 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2k4v s ILE 25 CO -0.13 0.23 0.03 -1.00 0.00 0.00 0.00 174.94 174.08 2k4v s HIS 26 N -0.42 3.07 -0.25 3.97 3.76 0.08 -1.01 115.29 124.49 2k4v s HIS 26 Ca 0.04 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2k4v s HIS 26 Cb -0.06 -2.16 0.06 0.00 1.11 0.00 0.00 32.58 31.53 2k4v s HIS 26 CO -0.00 -0.31 -0.07 0.42 -0.85 0.00 0.00 174.74 173.93 2k4v s ILE 27 N 1.31 1.83 -0.07 0.60 1.01 -0.32 -2.37 121.20 123.20 2k4v s ILE 27 Ca 0.04 -1.44 -0.18 0.00 0.00 0.00 0.00 60.65 59.07 2k4v s ILE 27 Cb -0.15 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 2k4v s ILE 27 CO 0.02 -0.09 0.49 -0.60 0.00 0.00 0.00 174.94 174.76 2k4v s ARG 28 N 1.25 4.25 -0.17 2.79 3.52 -0.37 -0.67 118.95 129.56 2k4v s ARG 28 Ca -0.07 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.05 2k4v s ARG 28 Cb -0.19 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2k4v s ARG 28 CO -0.06 0.32 -0.14 1.52 -0.81 0.00 0.00 175.30 176.13 2k4v s TYR 29 N 0.07 2.31 -0.18 5.12 1.13 -1.20 -2.67 117.35 121.93 2k4v s TYR 29 Ca 0.27 -1.37 -0.01 0.00 -1.41 0.00 0.00 57.07 54.55 2k4v s TYR 29 Cb -0.16 -1.65 0.05 0.00 -1.10 0.00 0.00 41.96 39.10 2k4v s TYR 29 CO 0.13 -0.71 -0.02 -1.21 -2.51 0.00 0.00 175.55 171.23 2k4v s GLU 30 N 1.44 1.10 -0.31 -3.49 2.02 -0.65 -4.70 118.70 114.12 2k4v s GLU 30 Ca 0.03 -0.49 -0.27 0.00 0.02 0.00 0.00 54.97 54.26 2k4v s GLU 30 Cb -0.14 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.08 2k4v s GLU 30 CO -0.10 -0.52 0.99 0.08 0.02 0.00 0.00 175.26 175.73 2k4v s VAL 31 N 1.71 4.61 0.20 2.63 1.01 -1.26 -0.75 120.40 128.55 2k4v s VAL 31 Ca -0.00 1.60 0.07 0.00 0.00 0.00 0.00 61.98 63.64 2k4v s VAL 31 Cb -0.16 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 2k4v s VAL 31 CO -0.07 -0.38 -0.11 -0.60 0.00 0.00 0.00 175.10 173.93 2k4v s ARG 32 N 3.40 1.30 -0.28 2.72 3.52 -0.62 -5.00 118.95 123.99 2k4v s ARG 32 Ca 0.41 -1.59 -0.05 0.00 -0.13 0.00 0.00 55.73 54.38 2k4v s ARG 32 Cb -0.13 -0.98 0.02 0.00 -1.56 0.00 0.00 34.95 32.30 2k4v s ARG 32 CO 0.14 0.12 0.03 -0.65 -0.81 0.00 0.00 175.30 174.12 2k4v s GLN 33 N -3.70 2.93 0.22 5.12 -1.52 -1.26 -1.25 119.66 120.20 2k4v s GLN 33 Ca 0.23 -0.95 -0.01 0.00 -1.95 0.00 0.00 55.36 52.68 2k4v s GLN 33 Cb 0.01 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 2k4v s GLN 33 CO 0.06 -0.45 0.42 0.54 -0.25 0.00 0.00 175.29 175.61 2k4v s ASN 34 N 1.41 6.39 0.33 5.90 2.20 0.72 -4.98 114.94 126.91 2k4v s ASN 34 Ca 0.01 0.45 0.26 0.00 -0.94 0.00 0.00 52.86 52.64 2k4v s ASN 34 Cb -0.17 -2.03 1.00 0.00 -2.00 0.00 0.00 41.25 38.05 2k4v s ASN 34 CO -0.00 -0.07 1.78 0.00 -2.94 0.00 0.00 177.10 175.86 2k4v h ALA 35 N 1.91 1.00 0.11 3.54 0.00 -2.00 -2.05 119.26 121.77 2k4v h ALA 35 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2k4v h ALA 35 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k4v h ALA 35 CO 0.67 0.00 -0.05 1.49 0.00 0.00 0.00 179.25 181.36 2k4v h GLU 36 N 0.00 -0.14 0.00 0.00 4.57 -2.00 -3.41 114.58 113.60 2k4v h GLU 36 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2k4v h GLU 36 Cb 0.50 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2k4v h GLU 36 CO 0.00 0.36 0.00 0.45 -1.18 0.00 0.00 179.01 178.64 2k4v n SER 37 N -4.87 0.60 0.00 1.04 2.88 -1.25 -5.11 113.62 106.91 2k4v n SER 37 Ca -0.08 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2k4v n SER 37 Cb 0.28 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.07 1.54 3.78 0.46 0.00 -0.77 -4.78 105.19 105.49 2k4v n GLY 38 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.66 3.13 0.28 4.61 0.00 -1.26 -0.20 121.76 126.66 2k4v s ALA 39 Ca 0.00 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 2k4v s ALA 39 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2k4v s ALA 39 CO 0.00 -0.21 0.54 1.52 0.00 0.00 0.00 175.76 177.61 2k4v s TYR 40 N -1.59 0.35 -0.10 0.00 1.13 -0.38 -1.65 117.35 115.11 2k4v s TYR 40 Ca 0.56 -0.74 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 2k4v s TYR 40 Cb -0.23 0.29 0.01 0.00 -1.10 0.00 0.00 41.96 40.93 2k4v s TYR 40 CO 0.29 -1.10 -0.17 0.08 -2.51 0.00 0.00 175.55 172.14 2k4v s VAL 41 N -3.72 1.60 -0.17 -3.49 1.01 -0.60 -1.58 120.40 113.44 2k4v s VAL 41 Ca 0.21 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 2k4v s VAL 41 Cb -0.02 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2k4v s VAL 41 CO 0.10 0.46 0.83 -2.28 0.00 0.00 0.00 175.10 174.21 2k4v s HIS 42 N 0.69 3.41 -0.04 5.22 2.46 0.07 -2.16 115.29 124.94 2k4v s HIS 42 Ca -0.13 1.24 0.05 0.00 0.47 0.00 0.00 55.06 56.70 2k4v s HIS 42 Cb -0.16 -3.01 -0.02 0.00 -0.13 0.00 0.00 32.58 29.25 2k4v s HIS 42 CO 0.03 -0.25 -0.18 -0.06 -2.47 0.00 0.00 174.74 171.81 2k4v s PHE 43 N 2.19 2.59 -0.05 3.88 0.08 -0.32 -1.63 117.98 124.72 2k4v s PHE 43 Ca 0.38 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.15 2k4v s PHE 43 Cb -0.16 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2k4v s PHE 43 CO 0.12 0.12 0.13 0.16 -0.10 0.00 0.00 175.22 175.65 2k4v s ASP 44 N -0.71 -0.12 -0.04 1.36 1.47 -1.09 -1.48 116.67 116.06 2k4v s ASP 44 Ca 0.11 0.26 0.06 0.00 1.18 0.00 0.00 52.55 54.15 2k4v s ASP 44 Cb -0.10 0.24 -0.01 0.00 -0.34 0.00 0.00 42.92 42.70 2k4v s ASP 44 CO 0.00 -0.06 -0.21 -0.04 0.68 0.00 0.00 175.17 175.53 2k4v s MET 45 N 0.30 2.02 0.12 2.11 -1.94 -0.04 -1.24 119.30 120.63 2k4v s MET 45 Ca -0.02 -0.76 -0.25 0.00 -1.71 0.00 0.00 55.69 52.95 2k4v s MET 45 Cb -0.03 -1.80 0.07 0.00 2.01 0.00 0.00 34.83 35.09 2k4v s MET 45 CO -0.01 0.36 0.77 0.16 -0.01 0.00 0.00 175.02 176.29 2k4v s ASP 46 N -0.21 -0.40 0.00 3.03 -4.77 -1.00 -1.06 116.67 112.26 2k4v s ASP 46 Ca 0.00 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.11 2k4v s ASP 46 Cb -0.11 0.53 0.00 0.00 -1.09 0.00 0.00 42.92 42.24 2k4v s ASP 46 CO 0.02 -0.89 0.00 0.61 0.70 0.00 0.00 175.17 175.61 2k4v n GLY 47 N -0.36 0.24 3.64 2.12 0.00 -0.87 -0.74 105.19 109.23 2k4v n GLY 47 Ca -0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.09 1.54 -0.28 1.61 -1.05 -0.91 -2.23 118.70 117.29 2k4v s GLU 48 Ca 0.00 -0.87 0.01 0.00 -0.15 0.00 0.00 54.97 53.96 2k4v s GLU 48 Cb 0.00 0.57 0.17 0.00 -0.44 0.00 0.00 34.13 34.43 2k4v s GLU 48 CO 0.00 -0.68 0.49 0.42 0.95 0.00 0.00 175.26 176.44 2k4v s ILE 49 N -3.88 -0.81 -1.51 1.83 1.01 -0.09 -1.92 121.20 115.83 2k4v s ILE 49 Ca 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2k4v s ILE 49 Cb -0.03 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2k4v s ILE 49 CO 0.00 -0.10 0.61 -0.67 0.00 0.00 0.00 174.94 174.78 2k4v n ASP 50 N 5.39 -6.04 0.00 3.58 2.03 0.02 -1.61 116.55 119.92 2k4v n ASP 50 Ca 0.00 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.02 2k4v n ASP 50 Cb 0.51 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.06 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 -1.53 2.99 3.62 0.27 0.00 -1.25 -4.94 105.19 104.36 2k4v n GLY 51 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.16 3.88 0.57 1.61 1.02 -0.64 -4.92 119.74 121.09 2k4v s LYS 52 Ca 0.00 1.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.84 2k4v s LYS 52 Cb 0.00 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.40 2k4v s LYS 52 CO 0.00 -1.17 1.04 -1.25 -0.92 0.00 0.00 175.35 173.05 2k4v s PRO 53 N 4.18 3.49 0.07 -1.68 0.04 -1.26 -0.92 135.00 138.91 2k4v s PRO 53 Ca 0.52 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 2k4v s PRO 53 Cb -0.13 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.38 2k4v s PRO 53 CO 0.24 -0.67 0.39 -0.59 0.04 0.00 0.00 177.00 176.41 2k4v s PHE 54 N -2.43 -0.21 -0.20 0.56 -0.71 -0.95 -4.93 117.98 109.10 2k4v s PHE 54 Ca 0.63 0.07 -0.09 0.00 -1.04 0.00 0.00 56.93 56.50 2k4v s PHE 54 Cb -0.15 0.20 0.08 0.00 -1.21 0.00 0.00 43.02 41.95 2k4v s PHE 54 CO 0.34 -0.60 0.45 -1.54 -1.34 0.00 0.00 175.22 172.53 2k4v s SER 55 N -2.27 -0.47 0.15 1.98 1.04 -1.26 -2.05 113.70 110.82 2k4v s SER 55 Ca -0.03 1.04 -0.06 0.00 0.48 0.00 0.00 55.95 57.38 2k4v s SER 55 Cb 0.00 1.20 -0.02 0.00 0.10 0.00 0.00 66.02 67.31 2k4v s SER 55 CO -0.05 -0.22 0.20 -0.62 0.98 0.00 0.00 173.24 173.53 2k4v s ASP 56 N 2.11 0.14 -0.15 7.02 2.15 -0.22 -5.01 116.67 122.71 2k4v s ASP 56 Ca -0.06 -1.00 -0.17 0.00 0.43 0.00 0.00 52.55 51.76 2k4v s ASP 56 Cb -0.10 0.38 0.04 0.00 -0.30 0.00 0.00 42.92 42.95 2k4v s ASP 56 CO -0.14 -0.83 0.47 -0.94 -0.17 0.00 0.00 175.17 173.56 2k4v s SER 57 N -3.00 -0.47 -0.05 -0.34 1.04 -1.26 -0.86 113.70 108.77 2k4v s SER 57 Ca 0.20 0.82 -0.05 0.00 0.48 0.00 0.00 55.95 57.40 2k4v s SER 57 Cb 0.05 0.85 0.01 0.00 0.10 0.00 0.00 66.02 67.03 2k4v s SER 57 CO 0.01 -0.24 0.14 0.72 0.98 0.00 0.00 173.24 174.85 2k4v s PHE 58 N -0.07 -0.13 -0.11 5.02 -0.71 -0.55 -5.00 117.98 116.43 2k4v s PHE 58 Ca -0.03 0.33 0.02 0.00 -1.04 0.00 0.00 56.93 56.21 2k4v s PHE 58 Cb -0.03 0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 2k4v s PHE 58 CO 0.02 -0.10 -0.15 -1.21 -1.34 0.00 0.00 175.22 172.44 2k4v s GLU 59 N -0.08 2.17 -0.08 1.99 2.02 -1.26 -1.17 118.70 122.29 2k4v s GLU 59 Ca -0.02 -0.54 0.05 0.00 0.02 0.00 0.00 54.97 54.48 2k4v s GLU 59 Cb -0.02 -1.85 -0.00 0.00 0.10 0.00 0.00 34.13 32.36 2k4v s GLU 59 CO 0.00 -0.07 -0.23 -0.51 0.02 0.00 0.00 175.26 174.48 2k4v s LEU 60 N 1.00 2.03 0.89 1.80 1.43 -0.92 -5.02 118.68 119.90 2k4v s LEU 60 Ca -0.06 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 2k4v s LEU 60 Cb -0.15 -1.31 0.13 0.00 0.03 0.00 0.00 46.19 44.89 2k4v s LEU 60 CO -0.02 0.18 1.12 -2.16 0.23 0.00 0.00 176.35 175.71 2k4v s PRO 61 N 0.14 1.27 0.56 1.29 0.04 -1.26 -1.56 135.00 135.48 2k4v s PRO 61 Ca -0.11 1.35 0.30 0.00 0.04 0.00 0.00 61.00 62.58 2k4v s PRO 61 Cb -0.16 -1.77 1.46 0.00 0.04 0.00 0.00 34.50 34.08 2k4v s PRO 61 CO 0.06 -2.39 1.89 0.07 0.04 0.00 0.00 177.00 176.68 2k4v h ARG 62 N -1.68 0.00 -0.60 4.56 0.11 -1.62 0.26 114.38 115.40 2k4v h ARG 62 Ca -0.45 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.58 2k4v h ARG 62 Cb 1.26 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.32 2k4v h ARG 62 CO 0.46 0.00 0.15 0.22 0.10 0.00 0.00 179.97 180.89 2k4v h ASP 63 N 0.00 0.88 0.00 0.08 3.58 -1.91 -3.34 116.42 115.71 2k4v h ASP 63 Ca 0.33 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k4v h ASP 63 Cb 1.46 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2k4v h ASP 63 CO -0.00 0.85 -0.05 0.35 -2.88 0.00 0.00 179.24 177.51 2k4v n THR 64 N -4.26 0.83 -0.01 2.25 -2.24 -0.26 -4.78 114.28 105.82 2k4v n THR 64 Ca 0.04 -0.90 0.02 0.00 -2.27 0.00 0.00 64.05 60.94 2k4v n THR 64 Cb 0.24 0.48 0.34 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.51 0.00 6.98 0.00 -0.69 -2.02 119.26 125.04 2k4v h ALA 65 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k4v h ALA 65 Cb 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k4v h ALA 65 CO 0.00 0.38 0.00 1.19 0.00 0.00 0.00 179.25 180.82 2k4v n PHE 66 N -4.36 0.26 1.78 0.00 3.72 -1.26 -2.48 117.46 115.12 2k4v n PHE 66 Ca 0.02 0.10 0.13 0.00 -0.05 0.00 0.00 57.45 57.66 2k4v n PHE 66 Cb 0.16 -0.67 0.68 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.74 0.57 0.15 4.37 3.02 -0.76 -4.39 115.26 116.48 2k4v n ASN 67 Ca 0.03 -1.31 0.19 0.00 -0.03 0.00 0.00 54.58 53.46 2k4v n ASN 67 Cb 0.19 -0.01 0.79 0.00 -0.61 0.00 0.00 39.78 40.13 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2k4v h PHE 68 N 0.84 0.00 -0.01 3.10 -0.00 -1.66 -2.79 116.94 116.42 2k4v h PHE 68 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.97 57.78 2k4v h PHE 68 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.12 2k4v h PHE 68 CO 0.01 0.00 -0.83 0.00 -0.00 0.00 0.00 178.31 177.49 2k4v h ALA 69 N 1.63 0.56 -0.33 12.09 0.00 -1.87 -1.07 119.26 130.27 2k4v h ALA 69 Ca 0.14 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 2k4v h ALA 69 Cb 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k4v h ALA 69 CO -0.00 0.86 -0.40 0.77 0.00 0.00 0.00 179.25 180.49 2k4v h SER 70 N 0.14 0.84 -0.08 0.00 0.02 -1.85 -1.73 113.55 110.89 2k4v h SER 70 Ca -0.04 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 2k4v h SER 70 Cb 1.44 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k4v h SER 70 CO 0.13 1.13 -0.21 0.44 -1.14 0.00 0.00 176.83 177.17 2k4v h ASP 71 N 0.64 0.33 -0.02 3.07 3.32 -1.62 -2.09 116.42 120.05 2k4v h ASP 71 Ca 0.05 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 56.53 2k4v h ASP 71 Cb 0.95 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2k4v h ASP 71 CO 0.09 0.86 -0.06 0.00 -1.72 0.00 0.00 179.24 178.41 2k4v h ALA 72 N 0.48 -0.05 0.00 3.45 0.00 -1.23 -2.09 119.26 119.82 2k4v h ALA 72 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k4v h ALA 72 Cb 0.82 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k4v h ALA 72 CO 0.05 -0.55 -0.15 1.15 0.00 0.00 0.00 179.25 179.75 2k4v h THR 73 N -0.10 0.43 -0.04 0.00 2.02 -1.39 -1.94 112.91 111.89 2k4v h THR 73 Ca 0.03 -0.82 -0.19 0.00 0.77 0.00 0.00 66.41 66.21 2k4v h THR 73 Cb 0.15 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2k4v h THR 73 CO -0.08 0.15 -0.79 -0.09 0.37 0.00 0.00 175.52 175.07 2k4v h ARG 74 N 0.00 0.31 -0.02 6.66 2.43 -0.90 -0.20 114.38 122.66 2k4v h ARG 74 Ca -0.00 -0.28 -0.18 0.00 -0.81 0.00 0.00 59.98 58.71 2k4v h ARG 74 Cb 0.57 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2k4v h ARG 74 CO 0.02 0.95 -0.79 0.28 -1.51 0.00 0.00 179.97 178.92 2k4v h VAL 75 N 0.20 1.47 0.10 0.20 2.07 -1.16 -2.71 116.25 116.41 2k4v h VAL 75 Ca -0.04 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 2k4v h VAL 75 Cb 1.38 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2k4v h VAL 75 CO 0.13 0.71 -0.05 0.00 0.02 0.00 0.00 177.57 178.38 2k4v h ALA 76 N 1.06 -0.13 0.00 1.67 0.00 -1.21 -3.23 119.26 117.42 2k4v h ALA 76 Ca -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k4v h ALA 76 Cb 1.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2k4v h ALA 76 CO 0.12 -0.18 -0.04 1.96 0.00 0.00 0.00 179.25 181.11 2k4v h GLN 77 N -0.91 0.00 -1.05 0.00 1.08 -1.18 -1.11 115.11 111.94 2k4v h GLN 77 Ca -0.01 0.00 0.27 0.00 -1.45 0.00 0.00 58.65 57.46 2k4v h GLN 77 Cb 0.54 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.88 2k4v h GLN 77 CO 0.02 0.04 0.68 -0.22 -0.95 0.00 0.00 178.83 178.39 2k4v h LYS 78 N 0.00 0.37 0.00 1.46 3.64 -1.49 -2.81 116.57 117.74 2k4v h LYS 78 Ca -0.00 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 2k4v h LYS 78 Cb 0.15 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2k4v h LYS 78 CO 0.00 0.24 -1.83 0.72 -2.27 0.00 0.00 179.45 176.32 2k4v n HIS 79 N -4.64 0.00 0.00 1.91 8.25 -1.10 -5.07 115.22 114.57 2k4v n HIS 79 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2k4v n HIS 79 Cb 0.90 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 2.32 1.74 3.03 -1.41 0.00 -0.44 -4.93 105.19 105.51 2k4v n GLY 80 Ca -0.21 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2k4v n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k4v n LEU 81 N 0.00 5.62 -3.89 0.99 7.94 -1.15 -4.48 117.00 122.02 2k4v n LEU 81 Ca 0.00 -3.75 -0.24 0.00 -1.11 0.00 0.00 56.01 50.91 2k4v n LEU 81 Cb 0.00 -1.56 -0.01 0.00 0.53 0.00 0.00 43.42 42.38 2k4v n LEU 81 CO 0.00 0.39 -0.20 1.57 -1.11 0.00 0.00 177.39 178.04 2k4v n HIS 82 N 7.44 -1.71 0.55 1.96 -0.00 -1.26 -4.71 115.22 117.48 2k4v n HIS 82 Ca 0.50 0.77 0.12 0.00 -0.00 0.00 0.00 57.72 59.12 2k4v n HIS 82 Cb 0.41 -3.90 0.45 0.00 -0.00 0.00 0.00 29.99 26.96 2k4v n HIS 82 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2k4v n PRO 83 N -4.37 0.20 -0.03 1.57 -0.04 -1.26 -0.71 135.00 130.35 2k4v n PRO 83 Ca -0.31 0.29 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 2k4v n PRO 83 Cb 0.68 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 2k4v n PRO 83 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2k4v h LYS 84 N 0.00 0.45 0.01 0.54 3.11 -1.97 -3.20 116.57 115.50 2k4v h LYS 84 Ca 0.00 -0.35 -0.24 0.00 -2.81 0.00 0.00 60.65 57.25 2k4v h LYS 84 Cb 0.53 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.83 2k4v h LYS 84 CO 0.00 0.98 -0.97 0.35 -2.81 0.00 0.00 179.45 177.00 2k4v h PHE 85 N 0.01 0.68 0.00 1.91 3.57 -1.88 -3.49 116.94 117.75 2k4v h PHE 85 Ca -0.02 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k4v h PHE 85 Cb 1.05 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2k4v h PHE 85 CO 0.12 1.20 0.00 0.41 -2.23 0.00 0.00 178.31 177.81 2k4v n GLY 86 N 1.00 2.96 1.64 2.40 0.00 0.11 -3.27 105.19 110.02 2k4v n GLY 86 Ca -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2k4v n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v n ALA 87 N 10.58 2.66 -2.43 4.61 0.00 -1.26 -4.81 120.51 129.86 2k4v n ALA 87 Ca 0.00 -2.59 -0.38 0.00 0.00 0.00 0.00 53.44 50.47 2k4v n ALA 87 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2k4v n ALA 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k4v s ILE 88 N -1.24 3.88 0.00 0.00 -1.09 -1.20 -4.31 121.20 117.23 2k4v s ILE 88 Ca 0.34 -1.17 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 2k4v s ILE 88 Cb 0.38 -4.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 2k4v s ILE 88 CO -0.13 -1.70 0.00 0.35 -1.23 0.00 0.00 174.94 172.23 2k4v n THR 89 N 6.97 0.00 0.00 2.92 -2.24 -1.26 -5.07 114.28 115.60 2k4v n THR 89 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 2k4v n THR 89 Cb 0.48 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2k4v n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k4v n ARG 90 N -0.98 0.00 -1.96 -0.78 3.00 -1.26 -4.77 116.66 109.90 2k4v n ARG 90 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.55 2k4v n ARG 90 Cb 0.11 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.62 2k4v n ARG 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k4v s VAL 91 N 0.00 3.25 -0.29 1.55 0.11 -1.26 -4.17 120.40 119.59 2k4v s VAL 91 Ca 0.00 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2k4v s VAL 91 Cb 0.00 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 2k4v s VAL 91 CO 0.00 -0.50 0.00 1.41 -3.33 0.00 0.00 175.10 172.68 2k4v n HIS 92 N -2.99 0.00 -2.56 1.54 8.25 -1.26 -4.96 115.22 113.24 2k4v n HIS 92 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.10 2k4v n HIS 92 Cb 0.58 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.75 2k4v n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2k4v n LYS 93 N -2.27 3.19 -0.80 -0.41 4.76 -1.26 -4.79 118.16 116.59 2k4v n LYS 93 Ca -0.03 -3.28 -0.16 0.00 -2.87 0.00 0.00 58.31 51.98 2k4v n LYS 93 Cb 0.17 -3.47 0.08 0.00 -1.84 0.00 0.00 35.03 29.97 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k4v n GLU 94 N 8.18 1.80 -0.26 1.97 1.02 -1.26 -4.18 120.64 127.91 2k4v n GLU 94 Ca 0.49 -1.78 -0.05 0.00 -0.02 0.00 0.00 57.16 55.79 2k4v n GLU 94 Cb 0.46 -1.70 0.06 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.92 0.99 -0.29 -0.32 3.20 -2.00 -2.20 116.97 117.27 2k4v h TYR 95 Ca 0.36 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 2k4v h TYR 95 Cb 1.67 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2k4v h TYR 95 CO 0.92 0.70 0.01 -0.44 -1.64 0.00 0.00 178.16 177.70 2k4v h ASP 96 N 1.00 0.41 -0.02 -2.11 5.19 -1.99 -0.05 116.42 118.85 2k4v h ASP 96 Ca 0.26 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 2k4v h ASP 96 Cb 0.03 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2k4v h ASP 96 CO -0.04 0.47 -0.01 0.00 -3.12 0.00 0.00 179.24 176.54 2k4v h ALA 97 N 1.58 0.03 -0.22 3.45 0.00 -1.78 -1.12 119.26 121.21 2k4v h ALA 97 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2k4v h ALA 97 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k4v h ALA 97 CO 0.01 -0.26 -0.31 1.98 0.00 0.00 0.00 179.25 180.67 2k4v h MET 98 N -0.34 0.45 -0.45 0.00 1.85 -1.33 0.28 114.93 115.39 2k4v h MET 98 Ca 0.01 -0.19 0.06 0.00 -0.61 0.00 0.00 59.70 58.97 2k4v h MET 98 Cb 0.41 -0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.37 2k4v h MET 98 CO 0.00 0.71 0.13 0.35 -0.40 0.00 0.00 176.91 177.71 2k4v h PHE 99 N 0.39 0.23 0.00 1.39 3.04 -0.98 -1.35 116.94 119.65 2k4v h PHE 99 Ca 0.05 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 2k4v h PHE 99 Cb 0.74 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 2k4v h PHE 99 CO 0.02 0.06 -0.37 0.93 -2.02 0.00 0.00 178.31 176.93 2k4v h GLU 100 N 0.29 0.00 0.73 1.11 5.08 -0.72 -2.24 114.58 118.82 2k4v h GLU 100 Ca 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2k4v h GLU 100 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2k4v h GLU 100 CO -0.24 0.37 -0.35 0.22 -1.00 0.00 0.00 179.01 178.01 2k4v h ASP 101 N 0.00 -0.83 -0.93 1.42 3.58 -0.59 -3.11 116.42 115.96 2k4v h ASP 101 Ca -0.00 0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.59 2k4v h ASP 101 Cb 0.95 0.21 -0.08 0.00 1.72 0.00 0.00 39.33 42.13 2k4v h ASP 101 CO 0.05 -0.49 0.57 0.40 -2.88 0.00 0.00 179.24 176.88 2k4v h ILE 102 N -1.18 0.91 -0.12 2.25 2.04 -1.24 -1.10 117.51 119.08 2k4v h ILE 102 Ca -0.10 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2k4v h ILE 102 Cb 0.75 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2k4v h ILE 102 CO 0.16 0.17 -0.05 0.08 0.00 0.00 0.00 178.15 178.51 2k4v h ARG 103 N 0.91 0.17 0.12 2.37 -0.00 -1.50 -2.09 114.38 114.36 2k4v h ARG 103 Ca 0.46 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 60.41 2k4v h ARG 103 Cb 0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.39 2k4v h ARG 103 CO -0.26 0.24 -0.06 0.00 -0.00 0.00 0.00 179.97 179.89 2k4v h ALA 104 N 1.78 -0.16 0.00 0.08 0.00 -1.12 0.01 119.26 119.86 2k4v h ALA 104 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2k4v h ALA 104 Cb 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k4v h ALA 104 CO 0.01 -0.44 -0.52 0.87 0.00 0.00 0.00 179.25 179.17 2k4v h LYS 105 N -0.46 0.00 0.00 0.00 6.56 -1.54 -0.89 116.57 120.24 2k4v h LYS 105 Ca -0.02 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 2k4v h LYS 105 Cb 0.37 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 2k4v h LYS 105 CO 0.03 0.52 -0.52 -0.07 -2.06 0.00 0.00 179.45 177.36 2k4v h LEU 106 N 0.00 0.00 0.00 2.94 4.07 -1.32 -2.40 115.31 118.60 2k4v h LEU 106 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2k4v h LEU 106 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2k4v h LEU 106 CO 0.07 0.52 -0.13 -0.74 -1.08 0.00 0.00 178.44 177.07 2k4v h HIS 107 N 0.00 0.00 -0.48 1.13 2.76 -0.57 -3.47 115.15 114.52 2k4v h HIS 107 Ca -0.01 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.96 2k4v h HIS 107 Cb 0.99 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.86 2k4v h HIS 107 CO 0.00 0.00 -0.19 0.00 -1.30 0.00 0.00 177.93 176.44 2k4v n ALA 108 N -1.93 -0.15 -2.86 5.26 0.00 -0.41 -5.03 120.51 115.39 2k4v n ALA 108 Ca 0.04 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 2k4v n ALA 108 Cb 0.48 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.32 0.42 0.36 0.00 3.76 -0.77 -4.99 115.29 111.75 2k4v s HIS 109 Ca 0.00 -0.30 -0.28 0.00 -0.15 0.00 0.00 55.06 54.32 2k4v s HIS 109 Cb 0.00 -0.27 -0.11 0.00 1.11 0.00 0.00 32.58 33.31 2k4v s HIS 109 CO 0.00 -0.07 1.47 -0.35 -0.85 0.00 0.00 174.74 174.94 2k4v n PRO 110 N 2.19 2.58 0.00 8.40 -0.04 -1.26 -4.36 135.00 142.51 2k4v n PRO 110 Ca -0.18 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2k4v n PRO 110 Cb 0.57 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 2k4v n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4v n GLY 111 N 0.81 -0.04 3.25 0.55 0.00 -1.26 -5.04 105.19 103.47 2k4v n GLY 111 Ca 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2k4v n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 112 N 0.00 1.06 0.09 1.61 1.03 -1.26 -4.54 118.70 116.70 2k4v s GLU 112 Ca 0.00 -1.45 -0.31 0.00 0.03 0.00 0.00 54.97 53.24 2k4v s GLU 112 Cb 0.00 -0.62 -0.09 0.00 -0.80 0.00 0.00 34.13 32.61 2k4v s GLU 112 CO 0.00 0.08 1.74 -2.14 -1.33 0.00 0.00 175.26 173.61 2k4v s PRO 113 N -3.75 4.17 0.04 -4.83 0.02 -1.26 -4.99 135.00 124.39 2k4v s PRO 113 Ca 0.17 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.35 2k4v s PRO 113 Cb 0.03 -3.61 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 2k4v s PRO 113 CO 0.01 -0.79 1.02 0.54 -0.33 0.00 0.00 177.00 177.44 2k4v s VAL 114 N 2.74 4.62 -2.52 3.83 0.11 -1.26 -4.97 120.40 122.96 2k4v s VAL 114 Ca 0.78 1.95 0.23 0.00 -2.93 0.00 0.00 61.98 62.01 2k4v s VAL 114 Cb -0.43 -4.25 0.41 0.00 -1.53 0.00 0.00 36.38 30.58 2k4v s VAL 114 CO 0.34 0.19 1.48 -0.90 -3.33 0.00 0.00 175.10 172.88 2k4v n ASP 115 N 3.62 2.46 -0.22 3.54 5.68 -1.26 -4.54 116.55 125.83 2k4v n ASP 115 Ca 0.06 -1.82 0.17 0.00 -0.50 0.00 0.00 54.79 52.69 2k4v n ASP 115 Cb 0.50 -0.11 0.50 0.00 -1.14 0.00 0.00 41.12 40.86 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 2k4v h LEU 116 N 3.43 0.43 -6.73 -2.12 8.10 -2.04 -2.32 115.31 114.06 2k4v h LEU 116 Ca 0.00 0.03 -0.60 0.00 0.11 0.00 0.00 57.88 57.43 2k4v h LEU 116 Cb 0.74 -0.05 -0.39 0.00 -0.44 0.00 0.00 40.66 40.52 2k4v h LEU 116 CO 0.00 0.19 -0.81 -0.70 -4.11 0.00 0.00 178.44 173.01 2k4v s GLU 117 N -5.44 1.04 -0.07 0.17 -6.30 -1.26 -4.89 118.70 101.94 2k4v s GLU 117 Ca -0.08 -1.88 0.20 0.00 -2.50 0.00 0.00 54.97 50.71 2k4v s GLU 117 Cb 0.22 -1.87 0.41 0.00 0.00 0.00 0.00 34.13 32.89 2k4v s GLU 117 CO 0.78 -1.23 1.18 -2.13 0.02 0.00 0.00 175.26 173.88 2k4v n ARG 118 N 3.47 0.52 -0.08 4.30 0.63 -0.87 -4.88 116.66 119.75 2k4v n ARG 118 Ca 0.15 -2.40 -0.15 0.00 -0.92 0.00 0.00 57.85 54.53 2k4v n ARG 118 Cb 0.38 -0.55 -0.05 0.00 0.45 0.00 0.00 32.46 32.69 2k4v n ARG 118 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2k4v n ILE 119 N -0.05 1.15 -2.53 5.15 2.08 -1.26 -4.72 119.36 119.17 2k4v n ILE 119 Ca 0.10 -0.09 -0.43 0.00 0.56 0.00 0.00 62.75 62.89 2k4v n ILE 119 Cb 0.99 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 2k4v n ILE 119 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2k4v n ILE 120 N -3.93 4.21 -3.98 1.39 2.08 -1.26 -4.94 119.36 112.92 2k4v n ILE 120 Ca -0.27 -4.38 -0.27 0.00 0.56 0.00 0.00 62.75 58.38 2k4v n ILE 120 Cb 0.62 -2.42 -0.01 0.00 -0.75 0.00 0.00 39.64 37.08 2k4v n ILE 120 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2k4v s ARG 121 N 1.36 2.24 -0.08 0.38 1.81 -1.26 -5.15 118.95 118.24 2k4v s ARG 121 Ca 0.43 -2.10 -0.04 0.00 -1.72 0.00 0.00 55.73 52.30 2k4v s ARG 121 Cb 0.05 -2.03 0.04 0.00 -0.45 0.00 0.00 34.95 32.56 2k4v s ARG 121 CO 0.00 -0.65 0.19 -1.01 -0.68 0.00 0.00 175.30 173.16 2k4v s HIS 122 N -2.81 -0.24 -0.08 -0.53 3.76 -1.26 -5.06 115.29 109.06 2k4v s HIS 122 Ca 0.30 0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 55.78 2k4v s HIS 122 Cb -0.02 -0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.60 2k4v s HIS 122 CO 0.19 -0.20 -0.13 -1.91 -0.85 0.00 0.00 174.74 171.83 2k4v n GLU 123 N 4.24 0.22 -2.18 1.40 4.07 -1.26 -4.79 120.64 122.34 2k4v n GLU 123 Ca -0.26 0.09 -0.39 0.00 -0.06 0.00 0.00 57.16 56.54 2k4v n GLU 123 Cb 0.52 -0.87 0.03 0.00 -0.06 0.00 0.00 31.44 31.07 2k4v n GLU 123 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k4v n GLY 124 N 2.45 5.73 0.17 8.31 0.00 -1.26 -5.09 105.19 115.50 2k4v n GLY 124 Ca -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 46.02 43.35 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76