#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 1.15 2.33 1.08 0.00 -1.26 -4.48 105.19 104.00 2k4v n GLY 2 Ca 0.00 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 2.37 -2.62 1.61 1.44 -1.26 -4.53 115.22 112.23 2k4v n HIS 3 Ca 0.00 -3.04 -0.42 0.00 -2.01 0.00 0.00 57.72 52.24 2k4v n HIS 3 Cb 0.00 -2.46 -0.03 0.00 0.12 0.00 0.00 29.99 27.62 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 2.23 3.46 -0.06 -1.40 1.75 -1.20 -4.89 119.30 119.19 2k4v s MET 4 Ca 0.68 0.13 -0.12 0.00 -1.25 0.00 0.00 55.69 55.14 2k4v s MET 4 Cb 0.18 -4.03 -0.05 0.00 2.84 0.00 0.00 34.83 33.77 2k4v s MET 4 CO -0.06 -1.68 0.30 0.12 -0.65 0.00 0.00 175.02 173.05 2k4v s PHE 5 N 4.83 3.66 0.08 4.11 5.36 -1.26 -1.34 117.98 133.41 2k4v s PHE 5 Ca 0.40 0.78 -0.02 0.00 -0.96 0.00 0.00 56.93 57.13 2k4v s PHE 5 Cb -0.08 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 2k4v s PHE 5 CO 0.24 0.65 0.03 -1.83 -1.46 0.00 0.00 175.22 172.84 2k4v s GLU 6 N -0.93 0.72 -0.26 10.12 -1.05 -0.34 -5.02 118.70 121.94 2k4v s GLU 6 Ca 0.20 -1.23 -0.28 0.00 -0.15 0.00 0.00 54.97 53.51 2k4v s GLU 6 Cb -0.15 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 2k4v s GLU 6 CO 0.09 -0.17 2.10 -2.14 0.95 0.00 0.00 175.26 176.09 2k4v s PRO 7 N -3.94 3.15 0.00 -4.83 0.02 -1.26 -2.45 135.00 125.69 2k4v s PRO 7 Ca 0.11 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2k4v s PRO 7 Cb 0.07 -4.33 0.00 0.00 0.02 0.00 0.00 34.50 30.26 2k4v s PRO 7 CO -0.07 -2.08 0.00 0.41 -0.33 0.00 0.00 177.00 174.93 2k4v n GLY 8 N 5.68 1.54 3.41 0.52 0.00 -1.26 -5.07 105.19 110.00 2k4v n GLY 8 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.21 -0.49 -0.04 1.61 5.65 -1.02 -1.73 115.29 117.06 2k4v s HIS 9 Ca 0.00 0.96 0.00 0.00 0.25 0.00 0.00 55.06 56.28 2k4v s HIS 9 Cb 0.00 0.24 0.02 0.00 -1.18 0.00 0.00 32.58 31.67 2k4v s HIS 9 CO 0.00 -0.44 -0.02 -1.17 -0.65 0.00 0.00 174.74 172.47 2k4v s LEU 10 N -0.76 1.18 -0.23 8.88 2.96 -0.09 -1.20 118.68 129.41 2k4v s LEU 10 Ca -0.08 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 2k4v s LEU 10 Cb -0.03 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.29 2k4v s LEU 10 CO 0.05 -0.09 0.15 -2.28 -1.32 0.00 0.00 176.35 172.86 2k4v s HIS 11 N 1.06 3.32 -0.13 5.38 5.65 -0.45 -0.87 115.29 129.24 2k4v s HIS 11 Ca -0.09 0.22 -0.03 0.00 0.25 0.00 0.00 55.06 55.40 2k4v s HIS 11 Cb -0.14 -2.25 -0.03 0.00 -1.18 0.00 0.00 32.58 28.98 2k4v s HIS 11 CO -0.01 0.08 -0.00 -0.51 -0.65 0.00 0.00 174.74 173.65 2k4v s LEU 12 N 0.97 3.50 0.18 8.88 1.43 -0.55 -3.27 118.68 129.81 2k4v s LEU 12 Ca 0.07 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.11 2k4v s LEU 12 Cb -0.13 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2k4v s LEU 12 CO 0.04 0.27 0.33 0.54 0.23 0.00 0.00 176.35 177.75 2k4v s VAL 13 N -0.24 0.05 -0.54 -1.59 0.11 -1.26 -1.12 120.40 115.80 2k4v s VAL 13 Ca 0.05 -1.36 -0.28 0.00 -2.93 0.00 0.00 61.98 57.47 2k4v s VAL 13 Cb -0.12 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 2k4v s VAL 13 CO 0.02 -0.23 1.58 -0.55 -3.33 0.00 0.00 175.10 172.59 2k4v s SER 14 N -2.97 5.88 0.59 3.54 0.15 -1.26 -4.80 113.70 114.83 2k4v s SER 14 Ca 0.18 0.43 -0.13 0.00 0.70 0.00 0.00 55.95 57.13 2k4v s SER 14 Cb 0.03 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 2k4v s SER 14 CO 0.01 -1.88 1.02 -1.48 1.20 0.00 0.00 173.24 172.12 2k4v s LEU 15 N 6.93 3.39 -0.22 3.45 0.05 -1.26 -4.84 118.68 126.18 2k4v s LEU 15 Ca 0.60 1.56 -0.29 0.00 0.05 0.00 0.00 54.13 56.04 2k4v s LEU 15 Cb -0.13 -4.50 -0.06 0.00 -2.05 0.00 0.00 46.19 39.45 2k4v s LEU 15 CO 0.25 -0.91 2.20 -0.81 -0.55 0.00 0.00 176.35 176.53 2k4v n PRO 16 N -2.31 1.89 0.00 1.48 -0.04 -1.26 -2.33 135.00 132.43 2k4v n PRO 16 Ca 0.07 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 2k4v n PRO 16 Cb 0.54 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 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 5.79 3.53 3.94 0.55 0.00 -1.26 -5.14 105.19 112.60 2k4v n GLY 17 Ca 0.31 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 3.82 0.32 0.99 1.02 -0.98 -5.10 118.68 118.75 2k4v s LEU 18 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 54.13 53.55 2k4v s LEU 18 Cb 0.00 -2.56 -0.10 0.00 0.02 0.00 0.00 46.19 43.55 2k4v s LEU 18 CO 0.00 -0.43 1.37 -0.62 0.02 0.00 0.00 176.35 176.69 2k4v s ASP 19 N -4.13 6.67 0.28 2.29 2.15 -1.26 -4.84 116.67 117.84 2k4v s ASP 19 Ca 0.44 2.74 -0.30 0.00 0.43 0.00 0.00 52.55 55.87 2k4v s ASP 19 Cb -0.08 -2.65 -0.10 0.00 -0.30 0.00 0.00 42.92 39.79 2k4v s ASP 19 CO 0.30 -0.63 1.45 -1.58 -0.17 0.00 0.00 175.17 174.54 2k4v s GLN 20 N -1.49 4.24 0.04 4.34 0.74 -1.26 -4.93 119.66 121.34 2k4v s GLN 20 Ca 0.52 2.36 -0.14 0.00 0.05 0.00 0.00 55.36 58.15 2k4v s GLN 20 Cb -0.41 -3.07 0.02 0.00 1.10 0.00 0.00 33.01 30.65 2k4v s GLN 20 CO 0.52 -0.43 0.32 -1.14 -0.55 0.00 0.00 175.29 174.01 2k4v s GLN 21 N -0.79 0.83 -0.21 1.67 0.74 -1.26 -5.06 119.66 115.58 2k4v s GLN 21 Ca 0.58 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 55.49 2k4v s GLN 21 Cb -0.43 0.36 0.07 0.00 1.10 0.00 0.00 33.01 34.12 2k4v s GLN 21 CO 0.48 -0.27 2.30 -3.47 -0.55 0.00 0.00 175.29 173.78 2k4v n ASP 22 N 0.56 6.00 -4.81 6.67 2.03 -1.26 -4.40 116.55 121.34 2k4v n ASP 22 Ca -0.19 -2.82 -0.39 0.00 0.52 0.00 0.00 54.79 51.92 2k4v n ASP 22 Cb 0.60 -1.14 -0.06 0.00 -0.72 0.00 0.00 41.12 39.79 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 -1.23 4.77 -0.20 5.18 -4.36 -1.26 -1.41 121.20 122.69 2k4v s ILE 23 Ca 0.30 1.18 -0.09 0.00 -0.26 0.00 0.00 60.65 61.78 2k4v s ILE 23 Cb 0.20 -3.88 0.08 0.00 1.25 0.00 0.00 42.46 40.11 2k4v s ILE 23 CO -0.03 0.56 0.45 0.54 0.24 0.00 0.00 174.94 176.69 2k4v s ASN 24 N -1.09 -0.46 -0.04 4.36 2.20 -0.48 -4.25 114.94 115.17 2k4v s ASN 24 Ca 0.28 1.02 0.02 0.00 -0.94 0.00 0.00 52.86 53.24 2k4v s ASN 24 Cb -0.19 1.15 0.01 0.00 -2.00 0.00 0.00 41.25 40.22 2k4v s ASN 24 CO 0.18 -0.22 -0.08 -0.63 -2.94 0.00 0.00 177.10 173.42 2k4v s ILE 25 N 2.04 0.75 -0.35 0.54 1.01 -0.28 -2.88 121.20 122.03 2k4v s ILE 25 Ca -0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 2k4v s ILE 25 Cb -0.10 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.71 2k4v s ILE 25 CO -0.14 0.25 0.14 -1.00 0.00 0.00 0.00 174.94 174.20 2k4v s HIS 26 N 0.51 3.26 -0.39 3.97 3.76 -0.15 -1.49 115.29 124.76 2k4v s HIS 26 Ca -0.08 -1.31 -0.10 0.00 -0.15 0.00 0.00 55.06 53.42 2k4v s HIS 26 Cb -0.12 -2.34 0.05 0.00 1.11 0.00 0.00 32.58 31.27 2k4v s HIS 26 CO 0.01 -0.71 0.22 0.42 -0.85 0.00 0.00 174.74 173.83 2k4v s ILE 27 N 1.44 4.45 -0.39 0.60 1.01 -0.05 -2.42 121.20 125.83 2k4v s ILE 27 Ca -0.01 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 2k4v s ILE 27 Cb -0.20 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.74 2k4v s ILE 27 CO 0.04 -0.33 0.24 -0.13 0.00 0.00 0.00 174.94 174.76 2k4v s ARG 28 N 1.51 2.86 -0.22 2.79 0.52 -0.02 -0.91 118.95 125.49 2k4v s ARG 28 Ca 0.02 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.14 2k4v s ARG 28 Cb -0.21 -3.82 0.02 0.00 0.52 0.00 0.00 34.95 31.46 2k4v s ARG 28 CO 0.05 -0.73 -0.10 1.52 0.02 0.00 0.00 175.30 176.06 2k4v s TYR 29 N 1.59 2.95 -0.19 -0.53 1.13 -0.71 -1.00 117.35 120.60 2k4v s TYR 29 Ca 0.03 -1.43 0.00 0.00 -1.41 0.00 0.00 57.07 54.26 2k4v s TYR 29 Cb -0.19 -2.02 0.04 0.00 -1.10 0.00 0.00 41.96 38.69 2k4v s TYR 29 CO 0.08 -0.71 -0.07 -1.21 -2.51 0.00 0.00 175.55 171.13 2k4v s GLU 30 N 1.35 1.71 -0.09 -3.49 2.02 -0.40 -4.30 118.70 115.50 2k4v s GLU 30 Ca 0.03 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 54.05 2k4v s GLU 30 Cb -0.15 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 2k4v s GLU 30 CO -0.07 -0.44 0.90 0.54 0.02 0.00 0.00 175.26 176.21 2k4v s VAL 31 N 1.51 4.87 0.15 2.63 0.11 -1.26 -1.24 120.40 127.17 2k4v s VAL 31 Ca -0.01 1.84 -0.02 0.00 -2.93 0.00 0.00 61.98 60.86 2k4v s VAL 31 Cb -0.16 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.43 2k4v s VAL 31 CO -0.08 0.08 0.11 -0.60 -3.33 0.00 0.00 175.10 171.28 2k4v s ARG 32 N 1.64 1.03 -0.26 1.54 3.52 -0.59 -5.00 118.95 120.83 2k4v s ARG 32 Ca 0.45 -1.45 -0.06 0.00 -0.13 0.00 0.00 55.73 54.54 2k4v s ARG 32 Cb -0.18 0.27 -0.00 0.00 -1.56 0.00 0.00 34.95 33.48 2k4v s ARG 32 CO 0.19 -0.32 0.03 -0.65 -0.81 0.00 0.00 175.30 173.74 2k4v s GLN 33 N -4.06 3.24 0.34 5.12 -1.52 -1.26 -1.14 119.66 120.38 2k4v s GLN 33 Ca 0.27 -0.74 -0.04 0.00 -1.95 0.00 0.00 55.36 52.90 2k4v s GLN 33 Cb 0.07 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.58 2k4v s GLN 33 CO 0.04 -0.33 0.60 0.54 -0.25 0.00 0.00 175.29 175.89 2k4v s ASN 34 N 1.50 6.38 0.52 5.90 2.20 0.12 -4.95 114.94 126.60 2k4v s ASN 34 Ca 0.04 0.70 0.31 0.00 -0.94 0.00 0.00 52.86 52.97 2k4v s ASN 34 Cb -0.16 -2.14 1.18 0.00 -2.00 0.00 0.00 41.25 38.13 2k4v s ASN 34 CO 0.01 -0.30 1.92 0.00 -2.94 0.00 0.00 177.10 175.79 2k4v h ALA 35 N 1.17 1.00 0.00 3.54 0.00 -2.00 -2.20 119.26 120.77 2k4v h ALA 35 Ca -0.48 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2k4v h ALA 35 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2k4v h ALA 35 CO 0.64 0.05 -0.47 0.93 0.00 0.00 0.00 179.25 180.40 2k4v h GLU 36 N 0.00 0.00 -0.03 0.00 3.07 -2.01 -3.41 114.58 112.20 2k4v h GLU 36 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k4v h GLU 36 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2k4v h GLU 36 CO 0.01 0.64 0.00 0.45 -1.40 0.00 0.00 179.01 178.70 2k4v n SER 37 N -4.59 1.61 0.00 1.42 2.88 -1.25 -5.09 113.62 108.59 2k4v n SER 37 Ca -0.14 -1.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.94 2k4v n SER 37 Cb 0.41 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.02 1.74 3.77 0.46 0.00 -0.83 -4.77 105.19 105.55 2k4v n GLY 38 Ca 0.02 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 2.87 0.28 4.61 0.00 -1.26 0.12 121.76 126.38 2k4v s ALA 39 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 2k4v s ALA 39 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2k4v s ALA 39 CO 0.00 -0.76 0.66 1.52 0.00 0.00 0.00 175.76 177.18 2k4v s TYR 40 N -1.59 -0.01 -0.07 0.00 1.13 -0.29 -1.35 117.35 115.17 2k4v s TYR 40 Ca 0.67 -0.43 0.02 0.00 -1.41 0.00 0.00 57.07 55.93 2k4v s TYR 40 Cb -0.28 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.16 2k4v s TYR 40 CO 0.33 -1.20 -0.13 0.08 -2.51 0.00 0.00 175.55 172.12 2k4v s VAL 41 N -3.84 1.21 -0.09 -3.49 1.01 -0.82 -1.54 120.40 112.85 2k4v s VAL 41 Ca 0.14 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 2k4v s VAL 41 Cb -0.05 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2k4v s VAL 41 CO 0.08 0.37 0.63 -2.28 0.00 0.00 0.00 175.10 173.90 2k4v s HIS 42 N 0.60 3.55 -0.08 5.22 2.46 -0.37 -2.49 115.29 124.18 2k4v s HIS 42 Ca -0.14 1.13 0.02 0.00 0.47 0.00 0.00 55.06 56.54 2k4v s HIS 42 Cb -0.16 -2.73 -0.02 0.00 -0.13 0.00 0.00 32.58 29.55 2k4v s HIS 42 CO 0.04 0.10 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.20 2k4v s PHE 43 N 0.78 2.70 0.00 3.88 0.08 -0.27 -1.27 117.98 123.88 2k4v s PHE 43 Ca 0.34 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.95 2k4v s PHE 43 Cb -0.17 -1.71 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 2k4v s PHE 43 CO 0.15 -0.04 -0.03 0.34 -0.10 0.00 0.00 175.22 175.54 2k4v s ASP 44 N -0.20 0.34 -0.03 1.36 2.15 -0.17 -1.47 116.67 118.65 2k4v s ASP 44 Ca -0.00 -0.11 0.01 0.00 0.43 0.00 0.00 52.55 52.88 2k4v s ASP 44 Cb -0.13 -0.02 0.02 0.00 -0.30 0.00 0.00 42.92 42.48 2k4v s ASP 44 CO 0.03 -0.01 -0.04 -0.04 -0.17 0.00 0.00 175.17 174.95 2k4v s MET 45 N -0.26 0.67 0.15 4.34 -1.94 -0.11 -0.84 119.30 121.32 2k4v s MET 45 Ca -0.01 -0.09 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 2k4v s MET 45 Cb -0.02 -0.70 0.01 0.00 2.01 0.00 0.00 34.83 36.12 2k4v s MET 45 CO -0.00 -0.05 0.34 0.16 -0.01 0.00 0.00 175.02 175.46 2k4v s ASP 46 N 0.74 -0.07 0.00 3.03 -4.77 -1.02 -0.94 116.67 113.65 2k4v s ASP 46 Ca -0.09 -0.61 0.00 0.00 -3.30 0.00 0.00 52.55 48.54 2k4v s ASP 46 Cb -0.12 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.16 2k4v s ASP 46 CO -0.00 -0.88 0.00 0.61 0.70 0.00 0.00 175.17 175.60 2k4v n GLY 47 N -0.21 0.33 3.28 2.12 0.00 -1.07 -0.98 105.19 108.66 2k4v n GLY 47 Ca -0.12 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 1.03 -0.29 1.61 1.03 -1.14 -2.33 118.70 116.62 2k4v s GLU 48 Ca 0.00 -1.09 0.02 0.00 0.03 0.00 0.00 54.97 53.93 2k4v s GLU 48 Cb 0.00 0.36 0.18 0.00 -0.80 0.00 0.00 34.13 33.87 2k4v s GLU 48 CO 0.00 -0.36 0.54 0.42 -1.33 0.00 0.00 175.26 174.53 2k4v s ILE 49 N -3.93 -0.90 -1.49 1.83 1.01 -0.83 -1.39 121.20 115.50 2k4v s ILE 49 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2k4v s ILE 49 Cb 0.04 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2k4v s ILE 49 CO -0.04 -0.06 0.00 -0.67 0.00 0.00 0.00 174.94 174.17 2k4v n ASP 50 N 5.41 -4.62 -0.88 3.58 2.03 -0.50 -1.95 116.55 119.61 2k4v n ASP 50 Ca 0.01 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2k4v n ASP 50 Cb 0.52 -3.98 0.00 0.00 -0.72 0.00 0.00 41.12 36.93 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 -0.70 0.50 2.77 0.27 0.00 -1.26 -5.00 105.19 101.76 2k4v n GLY 51 Ca -0.18 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.16 0.23 -0.20 1.61 1.02 -0.83 -5.14 119.74 113.27 2k4v s LYS 52 Ca 0.00 0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.88 2k4v s LYS 52 Cb 0.00 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.27 2k4v s LYS 52 CO 0.00 -0.71 1.04 -1.25 -0.92 0.00 0.00 175.35 173.50 2k4v s PRO 53 N 2.35 4.30 0.03 -1.68 0.04 -1.26 -1.96 135.00 136.82 2k4v s PRO 53 Ca 0.08 1.37 0.07 0.00 0.04 0.00 0.00 61.00 62.56 2k4v s PRO 53 Cb -0.15 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 2k4v s PRO 53 CO -0.16 -0.55 -0.19 -0.59 0.04 0.00 0.00 177.00 175.55 2k4v s PHE 54 N 2.89 1.71 -0.16 0.56 -0.71 -0.98 -5.00 117.98 116.28 2k4v s PHE 54 Ca 0.45 -0.36 -0.05 0.00 -1.04 0.00 0.00 56.93 55.94 2k4v s PHE 54 Cb -0.16 -1.04 0.06 0.00 -1.21 0.00 0.00 43.02 40.67 2k4v s PHE 54 CO 0.09 0.05 0.09 -1.54 -1.34 0.00 0.00 175.22 172.57 2k4v s SER 55 N -0.98 2.28 0.15 1.98 1.04 -1.26 -2.61 113.70 114.31 2k4v s SER 55 Ca 0.07 -0.57 0.10 0.00 0.48 0.00 0.00 55.95 56.03 2k4v s SER 55 Cb -0.08 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 2k4v s SER 55 CO 0.01 -0.34 -0.24 -1.81 0.98 0.00 0.00 173.24 171.83 2k4v s ASP 56 N 2.14 3.18 -0.18 7.02 1.11 -0.11 -5.01 116.67 124.81 2k4v s ASP 56 Ca 0.02 -0.79 -0.07 0.00 0.18 0.00 0.00 52.55 51.89 2k4v s ASP 56 Cb -0.16 -0.21 0.08 0.00 1.07 0.00 0.00 42.92 43.70 2k4v s ASP 56 CO -0.09 0.12 0.40 -0.94 1.18 0.00 0.00 175.17 175.85 2k4v s SER 57 N -2.29 -0.28 0.02 0.27 1.04 -1.26 -0.93 113.70 110.27 2k4v s SER 57 Ca 0.15 0.92 0.01 0.00 0.48 0.00 0.00 55.95 57.51 2k4v s SER 57 Cb -0.09 1.10 -0.01 0.00 0.10 0.00 0.00 66.02 67.12 2k4v s SER 57 CO 0.07 -0.22 -0.04 0.72 0.98 0.00 0.00 173.24 174.75 2k4v s PHE 58 N 2.21 0.37 -0.00 5.02 -0.71 -0.54 -5.01 117.98 119.31 2k4v s PHE 58 Ca -0.04 -0.35 0.07 0.00 -1.04 0.00 0.00 56.93 55.57 2k4v s PHE 58 Cb -0.11 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.45 2k4v s PHE 58 CO -0.12 -0.09 -0.21 -1.21 -1.34 0.00 0.00 175.22 172.24 2k4v s GLU 59 N -1.00 1.63 -0.08 1.99 2.02 -1.26 -1.11 118.70 120.89 2k4v s GLU 59 Ca -0.08 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.13 2k4v s GLU 59 Cb -0.07 -1.63 0.01 0.00 0.10 0.00 0.00 34.13 32.54 2k4v s GLU 59 CO -0.00 0.44 -0.18 -0.51 0.02 0.00 0.00 175.26 175.03 2k4v s LEU 60 N -0.68 1.85 1.09 1.80 1.43 -1.04 -5.00 118.68 118.13 2k4v s LEU 60 Ca 0.08 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 2k4v s LEU 60 Cb -0.08 -1.09 0.24 0.00 0.03 0.00 0.00 46.19 45.29 2k4v s LEU 60 CO -0.00 0.09 1.06 -2.16 0.23 0.00 0.00 176.35 175.57 2k4v s PRO 61 N 0.49 -0.30 0.37 1.29 0.04 -1.26 -1.94 135.00 133.69 2k4v s PRO 61 Ca -0.16 0.65 0.20 0.00 0.04 0.00 0.00 61.00 61.73 2k4v s PRO 61 Cb -0.17 -1.64 1.28 0.00 0.04 0.00 0.00 34.50 34.02 2k4v s PRO 61 CO 0.06 -3.26 1.61 0.07 0.04 0.00 0.00 177.00 175.52 2k4v h ARG 62 N -2.28 0.10 0.00 4.56 0.11 -1.51 0.19 114.38 115.54 2k4v h ARG 62 Ca -0.58 -0.01 -0.10 0.00 0.10 0.00 0.00 59.98 59.39 2k4v h ARG 62 Cb 1.33 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 2k4v h ARG 62 CO 0.54 0.06 -0.48 0.22 0.10 0.00 0.00 179.97 180.42 2k4v h ASP 63 N 0.10 0.00 0.00 0.08 3.58 -1.91 -3.33 116.42 114.94 2k4v h ASP 63 Ca 0.82 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.27 2k4v h ASP 63 Cb 2.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.17 2k4v h ASP 63 CO -0.69 0.48 0.00 0.35 -2.88 0.00 0.00 179.24 176.49 2k4v n THR 64 N -3.90 0.38 0.14 2.25 -2.24 -0.48 -4.78 114.28 105.64 2k4v n THR 64 Ca -0.01 -0.41 0.06 0.00 -2.27 0.00 0.00 64.05 61.41 2k4v n THR 64 Cb 0.51 0.90 0.52 0.00 -2.10 0.00 0.00 70.33 70.16 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 1.82 0.00 6.98 0.00 -0.80 -1.68 119.26 125.59 2k4v h ALA 65 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k4v h ALA 65 Cb 0.69 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k4v h ALA 65 CO 0.00 0.15 -0.04 0.74 0.00 0.00 0.00 179.25 180.10 2k4v h PHE 66 N 0.24 0.00 0.00 0.00 0.04 -1.85 -3.03 116.94 112.34 2k4v h PHE 66 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2k4v h PHE 66 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2k4v h PHE 66 CO 0.00 0.04 0.00 0.09 -0.60 0.00 0.00 178.31 177.84 2k4v n ASN 67 N -3.26 0.00 0.26 2.17 3.02 -0.63 -3.70 115.26 113.11 2k4v n ASN 67 Ca -0.01 -0.85 0.15 0.00 -0.03 0.00 0.00 54.58 53.84 2k4v n ASN 67 Cb 0.21 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.00 0.00 0.01 3.10 -0.00 -1.74 -2.22 116.94 116.10 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 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 35.97 2k4v h PHE 68 CO 0.00 0.04 -0.76 0.00 -0.00 0.00 0.00 178.31 177.58 2k4v h ALA 69 N 1.96 0.08 -0.09 12.09 0.00 -1.87 1.00 119.26 132.43 2k4v h ALA 69 Ca -0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 54.91 54.05 2k4v h ALA 69 Cb 0.66 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2k4v h ALA 69 CO 0.01 0.46 -0.89 0.77 0.00 0.00 0.00 179.25 179.60 2k4v h SER 70 N 0.04 0.91 0.29 0.00 0.02 -1.86 -3.30 113.55 109.65 2k4v h SER 70 Ca -0.10 -0.65 -0.01 0.00 -0.84 0.00 0.00 61.79 60.19 2k4v h SER 70 Cb 1.46 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2k4v h SER 70 CO 0.15 1.45 -0.14 -0.78 -1.14 0.00 0.00 176.83 176.37 2k4v h ASP 71 N 0.47 -0.33 -0.74 3.07 3.58 -1.31 -2.32 116.42 118.83 2k4v h ASP 71 Ca -0.08 -0.05 0.11 0.00 0.42 0.00 0.00 57.03 57.42 2k4v h ASP 71 Cb 1.52 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 42.61 2k4v h ASP 71 CO 0.18 0.14 0.49 0.00 -2.88 0.00 0.00 179.24 177.16 2k4v h ALA 72 N -0.99 1.89 -0.11 -0.78 0.00 -1.01 0.11 119.26 118.37 2k4v h ALA 72 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k4v h ALA 72 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k4v h ALA 72 CO 0.07 -0.06 0.01 1.15 0.00 0.00 0.00 179.25 180.42 2k4v h THR 73 N 0.59 1.24 -0.57 0.00 2.02 -1.65 -1.55 112.91 112.99 2k4v h THR 73 Ca 0.35 -0.76 0.06 0.00 0.77 0.00 0.00 66.41 66.83 2k4v h THR 73 Cb 0.55 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 2k4v h THR 73 CO -0.12 0.22 0.38 -0.09 0.37 0.00 0.00 175.52 176.27 2k4v h ARG 74 N -0.06 0.51 -0.31 6.66 2.43 -0.58 -0.29 114.38 122.75 2k4v h ARG 74 Ca 0.03 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2k4v h ARG 74 Cb 0.33 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2k4v h ARG 74 CO 0.00 0.34 -0.33 0.28 -1.51 0.00 0.00 179.97 178.75 2k4v h VAL 75 N 0.53 1.28 -0.01 0.20 2.07 -0.71 -2.43 116.25 117.18 2k4v h VAL 75 Ca 0.24 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2k4v h VAL 75 Cb 0.29 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2k4v h VAL 75 CO -0.07 0.48 -0.01 0.00 0.02 0.00 0.00 177.57 177.99 2k4v h ALA 76 N 1.07 0.02 0.00 1.67 0.00 -0.13 -3.16 119.26 118.72 2k4v h ALA 76 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2k4v h ALA 76 Cb 0.84 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k4v h ALA 76 CO 0.07 -0.26 -0.16 1.96 0.00 0.00 0.00 179.25 180.86 2k4v h GLN 77 N -0.39 0.00 0.00 0.00 1.08 -1.12 -1.32 115.11 113.37 2k4v h GLN 77 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k4v h GLN 77 Cb 0.43 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2k4v h GLN 77 CO 0.00 0.16 -0.01 -0.22 -0.95 0.00 0.00 178.83 177.81 2k4v h LYS 78 N 0.00 0.00 -0.50 1.46 3.64 -1.39 -2.45 116.57 117.32 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 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2k4v h LYS 78 CO 0.02 0.01 0.00 0.72 -2.27 0.00 0.00 179.45 177.93 2k4v n HIS 79 N -4.35 0.72 -1.49 1.91 8.25 -0.50 -4.95 115.22 114.82 2k4v n HIS 79 Ca -0.03 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 2k4v n HIS 79 Cb 0.09 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 1.02 -0.46 3.50 -1.41 0.00 -0.92 -4.96 105.19 101.96 2k4v n GLY 80 Ca 0.15 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2k4v n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4v s LEU 81 N -1.56 2.73 0.14 0.99 1.02 -1.25 -4.85 118.68 115.90 2k4v s LEU 81 Ca 0.00 -0.59 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 2k4v s LEU 81 Cb 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.68 2k4v s LEU 81 CO 0.00 0.16 1.77 0.45 0.02 0.00 0.00 176.35 178.75 2k4v h HIS 82 N 3.53 0.28 0.00 0.29 3.86 -1.95 -3.12 115.15 118.05 2k4v h HIS 82 Ca -0.49 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2k4v h HIS 82 Cb 1.18 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2k4v h HIS 82 CO 0.62 0.15 0.00 -2.30 0.86 0.00 0.00 177.93 177.26 2k4v n PRO 83 N -4.96 0.00 -0.19 2.45 -0.02 -1.26 -3.06 135.00 127.96 2k4v n PRO 83 Ca -0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 2k4v n PRO 83 Cb 0.08 -1.43 0.05 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.00 0.65 0.00 -0.52 3.11 -1.90 -1.60 116.57 116.31 2k4v h LYS 84 Ca 0.00 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.72 2k4v h LYS 84 Cb 0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 2k4v h LYS 84 CO 0.00 0.43 -0.40 0.27 -2.81 0.00 0.00 179.45 176.94 2k4v h PHE 85 N 0.67 0.00 -0.07 1.91 -5.15 -1.83 -3.38 116.94 109.09 2k4v h PHE 85 Ca 0.23 0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 57.30 2k4v h PHE 85 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.17 2k4v h PHE 85 CO -0.06 0.40 2.96 0.41 -2.00 0.00 0.00 178.31 180.01 2k4v n GLY 86 N -0.00 4.04 3.83 6.09 0.00 -0.60 -4.95 105.19 113.60 2k4v n GLY 86 Ca -0.01 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 2k4v n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v s ALA 87 N 3.55 3.05 0.00 4.61 0.00 -1.26 -3.70 121.76 128.01 2k4v s ALA 87 Ca 0.49 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2k4v s ALA 87 Cb 0.13 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2k4v s ALA 87 CO -0.05 -0.15 0.00 -0.89 0.00 0.00 0.00 175.76 174.66 2k4v n ILE 88 N -1.33 0.00 0.25 0.00 5.41 -1.26 -4.58 119.36 117.85 2k4v n ILE 88 Ca 0.07 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.96 2k4v n ILE 88 Cb 0.54 0.00 0.47 0.00 -0.71 0.00 0.00 39.64 39.94 2k4v n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4v h THR 89 N 0.00 0.07 0.00 1.39 1.03 -1.98 -2.75 112.91 110.67 2k4v h THR 89 Ca 0.00 -0.78 -0.13 0.00 -0.01 0.00 0.00 66.41 65.49 2k4v h THR 89 Cb 0.00 1.73 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 2k4v h THR 89 CO 0.00 0.03 -0.61 0.08 -0.01 0.00 0.00 175.52 175.01 2k4v h ARG 90 N 0.00 0.00 -2.87 0.00 0.11 -1.81 -3.38 114.38 106.44 2k4v h ARG 90 Ca -0.00 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.47 2k4v h ARG 90 Cb 0.73 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.40 2k4v h ARG 90 CO 0.00 0.61 -0.73 0.14 0.10 0.00 0.00 179.97 180.10 2k4v s VAL 91 N -3.45 1.83 -0.15 0.08 -7.23 -1.04 -4.99 120.40 105.44 2k4v s VAL 91 Ca -0.00 -3.40 -0.02 0.00 -1.81 0.00 0.00 61.98 56.75 2k4v s VAL 91 Cb 0.12 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.87 2k4v s VAL 91 CO 0.75 -1.04 2.30 1.57 -0.31 0.00 0.00 175.10 178.37 2k4v n HIS 92 N 2.61 0.69 -0.94 2.82 -0.00 -1.21 -4.74 115.22 114.45 2k4v n HIS 92 Ca 0.19 -1.49 0.00 0.00 0.46 0.00 0.00 57.72 56.88 2k4v n HIS 92 Cb 0.38 -0.89 0.00 0.00 -0.12 0.00 0.00 29.99 29.36 2k4v n HIS 92 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2k4v n LYS 93 N 1.18 -1.23 0.06 1.57 5.02 -1.26 -4.81 118.16 118.68 2k4v n LYS 93 Ca 0.21 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 2k4v n LYS 93 Cb 0.59 -4.39 0.46 0.00 -0.02 0.00 0.00 35.03 31.67 2k4v n LYS 93 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2k4v n GLU 94 N -0.38 0.12 -0.33 1.97 0.00 -1.26 -3.51 120.64 117.24 2k4v n GLU 94 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 57.16 57.47 2k4v n GLU 94 Cb 0.31 -1.67 0.27 0.00 0.00 0.00 0.00 31.44 30.35 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 2k4v h TYR 95 N 0.00 0.95 -0.03 -1.84 3.20 -1.92 -1.95 116.97 115.39 2k4v h TYR 95 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2k4v h TYR 95 Cb 0.48 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2k4v h TYR 95 CO 0.00 0.24 -0.32 -0.44 -1.64 0.00 0.00 178.16 176.00 2k4v h ASP 96 N 0.73 0.05 0.00 -2.11 5.19 -1.98 -0.13 116.42 118.17 2k4v h ASP 96 Ca 0.52 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.89 2k4v h ASP 96 Cb 0.75 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2k4v h ASP 96 CO -0.36 0.37 -0.10 0.00 -3.12 0.00 0.00 179.24 176.03 2k4v h ALA 97 N 1.63 0.01 0.00 3.45 0.00 -1.59 -3.08 119.26 119.68 2k4v h ALA 97 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2k4v h ALA 97 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k4v h ALA 97 CO 0.04 -0.02 -0.32 0.00 0.00 0.00 0.00 179.25 178.95 2k4v h MET 98 N -0.71 0.00 -0.85 0.00 -0.00 -1.47 -0.87 114.93 111.03 2k4v h MET 98 Ca -0.01 0.00 0.17 0.00 -0.00 0.00 0.00 59.70 59.85 2k4v h MET 98 Cb 0.90 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.39 2k4v h MET 98 CO 0.02 0.32 0.41 0.35 -0.00 0.00 0.00 176.91 178.02 2k4v h PHE 99 N 0.00 0.71 0.00 -0.10 3.04 -1.09 -1.09 116.94 118.41 2k4v h PHE 99 Ca -0.00 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.83 2k4v h PHE 99 Cb 0.80 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 2k4v h PHE 99 CO 0.00 0.11 -0.73 0.93 -2.02 0.00 0.00 178.31 176.60 2k4v h GLU 100 N 0.55 0.00 0.01 1.11 5.08 -1.10 -2.91 114.58 117.32 2k4v h GLU 100 Ca 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2k4v h GLU 100 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k4v h GLU 100 CO -0.41 0.73 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.88 2k4v h ASP 101 N 0.00 -0.01 -0.89 1.42 3.32 -0.89 -2.03 116.42 117.33 2k4v h ASP 101 Ca -0.01 -0.57 0.01 0.00 0.02 0.00 0.00 57.03 56.48 2k4v h ASP 101 Cb 1.53 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.04 2k4v h ASP 101 CO 0.10 0.57 0.59 0.40 -1.72 0.00 0.00 179.24 179.18 2k4v h ILE 102 N -0.61 1.22 0.00 0.35 2.04 -1.34 -1.43 117.51 117.74 2k4v h ILE 102 Ca -0.00 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 2k4v h ILE 102 Cb 0.59 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2k4v h ILE 102 CO 0.00 0.22 -0.23 0.08 0.00 0.00 0.00 178.15 178.22 2k4v h ARG 103 N 1.20 0.00 -0.10 2.37 -0.00 -1.53 0.09 114.38 116.40 2k4v h ARG 103 Ca 0.33 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 60.09 2k4v h ARG 103 Cb -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 29.87 2k4v h ARG 103 CO -0.08 0.23 -0.81 0.00 -0.00 0.00 0.00 179.97 179.31 2k4v h ALA 104 N 1.77 0.23 -0.99 0.08 0.00 -0.72 -1.63 119.26 118.00 2k4v h ALA 104 Ca -0.00 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.33 2k4v h ALA 104 Cb 0.45 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2k4v h ALA 104 CO 0.03 0.63 0.65 0.87 0.00 0.00 0.00 179.25 181.43 2k4v h LYS 105 N 0.43 1.20 0.00 0.00 1.79 -0.88 -1.34 116.57 117.78 2k4v h LYS 105 Ca -0.07 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 2k4v h LYS 105 Cb 1.46 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2k4v h LYS 105 CO 0.17 0.80 -0.15 -0.07 -1.08 0.00 0.00 179.45 179.12 2k4v h LEU 106 N 1.24 0.00 0.00 2.94 4.07 -0.89 -1.02 115.31 121.65 2k4v h LEU 106 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 2k4v h LEU 106 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2k4v h LEU 106 CO -0.13 0.15 -0.06 -0.74 -1.08 0.00 0.00 178.44 176.57 2k4v h HIS 107 N 0.00 0.00 -0.61 1.13 2.76 -0.41 -3.49 115.15 114.54 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 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 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 -1.98 0.00 -2.55 5.26 0.00 -0.39 -5.08 120.51 115.77 2k4v n ALA 108 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 2k4v n ALA 108 Cb 0.49 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.61 0.40 -0.36 0.00 3.76 -0.98 -5.02 115.29 110.48 2k4v s HIS 109 Ca 0.00 -0.80 -0.33 0.00 -0.15 0.00 0.00 55.06 53.78 2k4v s HIS 109 Cb 0.00 -0.14 -0.14 0.00 1.11 0.00 0.00 32.58 33.41 2k4v s HIS 109 CO 0.00 -0.62 1.30 -2.30 -0.85 0.00 0.00 174.74 172.26 2k4v n PRO 110 N -0.14 0.00 -2.94 8.40 -0.02 -1.26 -3.48 135.00 135.56 2k4v n PRO 110 Ca -0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.25 2k4v n PRO 110 Cb 0.63 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 33.05 2k4v n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4v n GLY 111 N 3.78 2.25 3.53 -1.23 0.00 -1.26 -4.75 105.19 107.51 2k4v n GLY 111 Ca 0.29 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2k4v n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4v s GLU 112 N -1.55 3.47 -0.74 1.61 0.41 -1.26 -4.31 118.70 116.34 2k4v s GLU 112 Ca 0.31 -0.47 -0.26 0.00 -0.41 0.00 0.00 54.97 54.14 2k4v s GLU 112 Cb 0.35 -3.84 -0.06 0.00 -1.78 0.00 0.00 34.13 28.80 2k4v s GLU 112 CO -0.05 -0.60 2.09 -2.14 -0.49 0.00 0.00 175.26 174.07 2k4v s PRO 113 N 2.06 2.31 -0.88 0.39 0.02 -1.26 -4.91 135.00 132.72 2k4v s PRO 113 Ca 0.12 0.37 -0.22 0.00 0.02 0.00 0.00 61.00 61.30 2k4v s PRO 113 Cb -0.17 -4.75 0.08 0.00 0.02 0.00 0.00 34.50 29.69 2k4v s PRO 113 CO 0.12 -3.41 1.20 0.54 -0.33 0.00 0.00 177.00 175.12 2k4v s VAL 114 N 11.11 4.31 -0.48 3.83 0.11 -1.26 -4.91 120.40 133.11 2k4v s VAL 114 Ca 0.78 -0.89 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2k4v s VAL 114 Cb -0.11 -4.86 0.24 0.00 -1.53 0.00 0.00 36.38 30.12 2k4v s VAL 114 CO 0.11 -1.66 2.22 -0.90 -3.33 0.00 0.00 175.10 171.54 2k4v n ASP 115 N 7.76 6.84 0.25 3.54 5.75 -1.26 -4.63 116.55 134.79 2k4v n ASP 115 Ca 0.19 -3.33 0.09 0.00 -0.01 0.00 0.00 54.79 51.73 2k4v n ASP 115 Cb 0.49 -1.09 0.64 0.00 -1.03 0.00 0.00 41.12 40.13 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 2.82 0.00 -0.24 -2.12 8.10 -1.95 -0.11 115.31 121.81 2k4v h LEU 116 Ca 0.41 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.36 2k4v h LEU 116 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 2k4v h LEU 116 CO 1.03 0.12 -0.19 -0.08 -4.11 0.00 0.00 178.44 175.21 2k4v h GLU 117 N 0.00 0.00 0.00 0.17 4.81 -2.00 -3.01 114.58 114.55 2k4v h GLU 117 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k4v h GLU 117 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2k4v h GLU 117 CO 0.02 0.19 0.00 -0.09 -0.73 0.00 0.00 179.01 178.39 2k4v h ARG 118 N 0.00 0.00 -6.11 1.92 2.43 -1.37 -3.36 114.38 107.90 2k4v h ARG 118 Ca -0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.60 2k4v h ARG 118 Cb 1.06 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.52 2k4v h ARG 118 CO 0.02 0.00 1.37 0.42 -1.51 0.00 0.00 179.97 180.28 2k4v s ILE 119 N -3.15 3.84 0.00 1.20 -1.09 -0.98 -4.37 121.20 116.65 2k4v s ILE 119 Ca 0.09 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 2k4v s ILE 119 Cb 0.09 -4.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.04 2k4v s ILE 119 CO 0.63 -1.83 0.00 -0.38 -1.23 0.00 0.00 174.94 172.13 2k4v n ILE 120 N 6.91 0.00 -1.89 2.92 5.41 -1.26 -4.96 119.36 126.49 2k4v n ILE 120 Ca 0.29 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.62 2k4v n ILE 120 Cb 0.50 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.41 2k4v n ILE 120 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4v s ARG 121 N -0.10 3.25 0.38 0.38 0.52 -1.26 -4.98 118.95 117.15 2k4v s ARG 121 Ca 0.00 1.57 -0.25 0.00 -0.52 0.00 0.00 55.73 56.54 2k4v s ARG 121 Cb 0.00 -4.25 -0.09 0.00 0.52 0.00 0.00 34.95 31.13 2k4v s ARG 121 CO 0.00 -1.95 1.04 -1.58 0.02 0.00 0.00 175.30 172.82 2k4v s HIS 122 N 7.36 3.35 -0.26 -0.53 5.65 -1.26 -4.88 115.29 124.73 2k4v s HIS 122 Ca 0.85 1.67 -0.12 0.00 0.25 0.00 0.00 55.06 57.71 2k4v s HIS 122 Cb -0.25 -3.11 -0.05 0.00 -1.18 0.00 0.00 32.58 28.00 2k4v s HIS 122 CO 0.34 -0.49 0.25 -2.00 -0.65 0.00 0.00 174.74 172.18 2k4v s GLU 123 N -2.36 4.02 -0.01 2.88 2.12 -1.26 -4.91 118.70 119.18 2k4v s GLU 123 Ca 0.56 -0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.74 2k4v s GLU 123 Cb -0.22 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.58 2k4v s GLU 123 CO 0.28 -0.12 0.92 0.41 -0.54 0.00 0.00 175.26 176.21 2k4v n GLY 124 N 4.63 0.25 0.00 -1.50 0.00 -1.26 -5.33 105.19 101.97 2k4v n GLY 124 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76