#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 2.15 3.69 1.08 0.00 -1.26 -4.90 105.19 105.96 2k4v n GLY 2 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2k4v n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4v s HIS 3 N 0.00 2.18 0.06 1.61 -3.43 -1.26 -4.71 115.29 109.74 2k4v s HIS 3 Ca 0.00 0.01 -0.01 0.00 -0.80 0.00 0.00 55.06 54.26 2k4v s HIS 3 Cb 0.00 -4.16 -0.04 0.00 -1.43 0.00 0.00 32.58 26.95 2k4v s HIS 3 CO 0.00 -4.77 -0.02 -1.64 -2.00 0.00 0.00 174.74 166.31 2k4v s MET 4 N 2.72 0.67 -0.14 -0.38 -1.94 -1.07 -4.94 119.30 114.22 2k4v s MET 4 Ca 0.80 -1.26 -0.08 0.00 -1.71 0.00 0.00 55.69 53.45 2k4v s MET 4 Cb -0.45 0.17 0.05 0.00 2.01 0.00 0.00 34.83 36.60 2k4v s MET 4 CO 0.36 -0.12 0.33 0.12 -0.01 0.00 0.00 175.02 175.70 2k4v s PHE 5 N -3.90 -0.46 0.14 -0.03 5.36 -1.26 -1.42 117.98 116.41 2k4v s PHE 5 Ca 0.09 1.02 -0.15 0.00 -0.96 0.00 0.00 56.93 56.94 2k4v s PHE 5 Cb 0.08 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 2k4v s PHE 5 CO -0.08 -0.28 0.40 -1.83 -1.46 0.00 0.00 175.22 171.97 2k4v s GLU 6 N 1.21 1.13 -0.58 10.12 -1.05 -0.31 -5.01 118.70 124.21 2k4v s GLU 6 Ca -0.08 -0.81 -0.27 0.00 -0.15 0.00 0.00 54.97 53.65 2k4v s GLU 6 Cb -0.09 0.46 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 2k4v s GLU 6 CO -0.09 -0.45 2.46 -2.30 0.95 0.00 0.00 175.26 175.83 2k4v n PRO 7 N -0.24 0.87 0.00 -4.83 -0.02 -1.26 -2.25 135.00 127.27 2k4v n PRO 7 Ca -0.14 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2k4v n PRO 7 Cb 0.63 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 6.12 0.71 3.47 -1.23 0.00 -1.26 -5.06 105.19 107.94 2k4v n GLY 8 Ca 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.58 -0.01 1.61 5.65 -0.95 -1.74 115.29 117.26 2k4v s HIS 9 Ca 0.00 0.88 -0.10 0.00 0.25 0.00 0.00 55.06 56.09 2k4v s HIS 9 Cb 0.00 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.81 2k4v s HIS 9 CO 0.00 -0.63 0.21 -1.17 -0.65 0.00 0.00 174.74 172.50 2k4v s LEU 10 N -1.50 1.25 -0.01 8.88 0.20 0.95 -1.16 118.68 127.27 2k4v s LEU 10 Ca -0.09 -0.05 0.05 0.00 0.69 0.00 0.00 54.13 54.74 2k4v s LEU 10 Cb -0.01 0.92 -0.01 0.00 -0.43 0.00 0.00 46.19 46.66 2k4v s LEU 10 CO 0.05 -0.38 -0.17 -2.28 -0.29 0.00 0.00 176.35 173.28 2k4v s HIS 11 N -1.26 1.49 -0.04 5.38 5.65 -0.51 -0.78 115.29 125.22 2k4v s HIS 11 Ca -0.13 -0.29 0.04 0.00 0.25 0.00 0.00 55.06 54.93 2k4v s HIS 11 Cb -0.06 -0.96 -0.00 0.00 -1.18 0.00 0.00 32.58 30.37 2k4v s HIS 11 CO 0.03 -0.03 -0.18 -0.51 -0.65 0.00 0.00 174.74 173.40 2k4v s LEU 12 N -0.36 1.93 -0.04 8.88 1.43 -0.31 -2.61 118.68 127.60 2k4v s LEU 12 Ca 0.06 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2k4v s LEU 12 Cb -0.07 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.18 2k4v s LEU 12 CO -0.00 0.16 0.02 0.68 0.23 0.00 0.00 176.35 177.44 2k4v s VAL 13 N 0.03 0.10 -0.43 -1.59 -7.23 -1.26 -1.71 120.40 108.31 2k4v s VAL 13 Ca -0.04 0.21 -0.39 0.00 -1.81 0.00 0.00 61.98 59.95 2k4v s VAL 13 Cb -0.12 -0.26 -0.17 0.00 0.56 0.00 0.00 36.38 36.39 2k4v s VAL 13 CO 0.02 0.17 1.60 -1.54 -0.31 0.00 0.00 175.10 175.04 2k4v n SER 14 N 4.70 0.86 -4.31 4.85 3.41 -0.64 -4.93 113.62 117.56 2k4v n SER 14 Ca -0.16 0.82 -0.16 0.00 -0.26 0.00 0.00 58.87 59.11 2k4v n SER 14 Cb 0.50 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 2k4v n SER 14 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2k4v s LEU 15 N 3.80 2.46 -0.47 1.04 0.05 -1.26 -4.90 118.68 119.41 2k4v s LEU 15 Ca 0.97 -1.07 -0.33 0.00 0.05 0.00 0.00 54.13 53.74 2k4v s LEU 15 Cb -1.29 -0.44 -0.12 0.00 -2.05 0.00 0.00 46.19 42.29 2k4v s LEU 15 CO 0.64 -0.33 2.30 -0.81 -0.55 0.00 0.00 176.35 177.61 2k4v n PRO 16 N -0.32 0.90 0.00 1.48 -0.04 -1.26 -2.55 135.00 133.21 2k4v n PRO 16 Ca -0.08 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2k4v n PRO 16 Cb 0.61 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 6.46 2.18 0.00 0.55 0.00 -1.26 -5.04 105.19 108.09 2k4v n GLY 17 Ca 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2k4v n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4v n LEU 18 N 0.00 1.39 0.00 0.99 7.99 -1.06 -4.81 117.00 121.51 2k4v n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2k4v n LEU 18 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2k4v n LEU 18 CO 0.00 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.21 2k4v n ASP 19 N -0.44 0.00 -3.34 -1.43 2.03 -1.26 -5.04 116.55 107.08 2k4v n ASP 19 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2k4v n ASP 19 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2k4v n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4v n GLN 20 N -0.16 3.43 -4.46 -0.67 10.64 -1.26 -4.78 117.38 120.12 2k4v n GLN 20 Ca 0.00 -2.15 -0.31 0.00 -1.83 0.00 0.00 57.00 52.70 2k4v n GLN 20 Cb 0.00 -2.81 -0.11 0.00 -0.86 0.00 0.00 30.24 26.46 2k4v n GLN 20 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2k4v s GLN 21 N 2.43 2.36 -0.94 2.61 0.74 -1.26 -5.08 119.66 120.52 2k4v s GLN 21 Ca 0.64 -0.84 -0.15 0.00 0.05 0.00 0.00 55.36 55.06 2k4v s GLN 21 Cb 0.17 -2.39 0.19 0.00 1.10 0.00 0.00 33.01 32.08 2k4v s GLN 21 CO -0.06 0.57 1.02 0.34 -0.55 0.00 0.00 175.29 176.61 2k4v s ASP 22 N -1.58 6.81 -0.18 6.67 2.15 -1.26 -4.77 116.67 124.52 2k4v s ASP 22 Ca 0.17 -2.59 -0.05 0.00 0.43 0.00 0.00 52.55 50.51 2k4v s ASP 22 Cb -0.11 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 2k4v s ASP 22 CO 0.08 -0.74 0.01 0.27 -0.17 0.00 0.00 175.17 174.62 2k4v s ILE 23 N 1.11 4.27 -0.03 4.11 -5.25 -1.26 0.27 121.20 124.42 2k4v s ILE 23 Ca 0.28 -0.22 0.01 0.00 -0.99 0.00 0.00 60.65 59.73 2k4v s ILE 23 Cb -0.07 -2.91 0.02 0.00 2.95 0.00 0.00 42.46 42.45 2k4v s ILE 23 CO -0.08 0.47 -0.01 0.20 -1.79 0.00 0.00 174.94 173.72 2k4v s ASN 24 N 0.49 0.50 -0.07 4.36 0.01 -0.53 -1.62 114.94 118.07 2k4v s ASN 24 Ca -0.00 -0.05 -0.05 0.00 -0.71 0.00 0.00 52.86 52.05 2k4v s ASN 24 Cb -0.14 -0.23 0.03 0.00 0.41 0.00 0.00 41.25 41.32 2k4v s ASN 24 CO 0.02 -0.07 0.18 -0.63 -1.51 0.00 0.00 177.10 175.09 2k4v s ILE 25 N 0.82 -0.02 -0.06 0.60 1.01 -0.69 -0.97 121.20 121.90 2k4v s ILE 25 Ca -0.09 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2k4v s ILE 25 Cb -0.12 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 2k4v s ILE 25 CO -0.01 0.03 -0.11 -1.00 0.00 0.00 0.00 174.94 173.85 2k4v s HIS 26 N 0.56 2.81 -0.26 3.97 3.76 0.67 -1.16 115.29 125.64 2k4v s HIS 26 Ca -0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 2k4v s HIS 26 Cb -0.05 -1.67 0.08 0.00 1.11 0.00 0.00 32.58 32.04 2k4v s HIS 26 CO -0.03 0.26 0.01 0.42 -0.85 0.00 0.00 174.74 174.54 2k4v s ILE 27 N -0.77 1.39 -0.05 0.60 1.01 0.04 -2.81 121.20 120.61 2k4v s ILE 27 Ca 0.12 -1.36 -0.08 0.00 0.00 0.00 0.00 60.65 59.33 2k4v s ILE 27 Cb -0.11 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 2k4v s ILE 27 CO 0.01 -0.32 0.23 -0.13 0.00 0.00 0.00 174.94 174.73 2k4v s ARG 28 N 1.42 3.57 -0.15 2.79 0.52 0.04 -0.04 118.95 127.11 2k4v s ARG 28 Ca 0.01 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2k4v s ARG 28 Cb -0.18 -3.15 0.03 0.00 0.52 0.00 0.00 34.95 32.16 2k4v s ARG 28 CO -0.11 0.71 -0.11 1.52 0.02 0.00 0.00 175.30 177.34 2k4v s TYR 29 N -1.15 1.97 -0.20 -0.53 1.13 -0.71 -1.75 117.35 116.11 2k4v s TYR 29 Ca 0.21 -1.14 0.01 0.00 -1.41 0.00 0.00 57.07 54.74 2k4v s TYR 29 Cb -0.13 -1.47 0.05 0.00 -1.10 0.00 0.00 41.96 39.30 2k4v s TYR 29 CO 0.11 -0.64 -0.08 -1.21 -2.51 0.00 0.00 175.55 171.22 2k4v s GLU 30 N 1.55 1.80 -0.27 -3.49 2.02 -0.58 -4.33 118.70 115.41 2k4v s GLU 30 Ca 0.03 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 2k4v s GLU 30 Cb -0.14 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.73 2k4v s GLU 30 CO -0.09 -0.47 1.09 0.08 0.02 0.00 0.00 175.26 175.89 2k4v s VAL 31 N 1.45 4.54 0.23 2.63 1.01 -1.26 -0.74 120.40 128.25 2k4v s VAL 31 Ca -0.02 1.82 0.10 0.00 0.00 0.00 0.00 61.98 63.88 2k4v s VAL 31 Cb -0.17 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 2k4v s VAL 31 CO -0.08 -0.33 -0.19 -0.60 0.00 0.00 0.00 175.10 173.91 2k4v s ARG 32 N 3.49 1.50 -0.23 2.72 3.00 -0.11 -4.99 118.95 124.32 2k4v s ARG 32 Ca 0.46 -1.62 -0.07 0.00 -1.00 0.00 0.00 55.73 53.50 2k4v s ARG 32 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 34.95 33.23 2k4v s ARG 32 CO 0.12 0.30 0.04 -0.65 0.00 0.00 0.00 175.30 175.11 2k4v s GLN 33 N -3.28 3.64 -0.01 5.12 -1.52 -1.26 -1.31 119.66 121.04 2k4v s GLN 33 Ca 0.24 -0.49 -0.02 0.00 -1.95 0.00 0.00 55.36 53.14 2k4v s GLN 33 Cb -0.05 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.47 2k4v s GLN 33 CO 0.11 -0.12 0.13 0.54 -0.25 0.00 0.00 175.29 175.70 2k4v s ASN 34 N 1.40 6.05 0.47 5.90 2.20 0.42 -4.99 114.94 126.40 2k4v s ASN 34 Ca 0.05 0.26 0.32 0.00 -0.94 0.00 0.00 52.86 52.55 2k4v s ASN 34 Cb -0.15 -1.83 1.44 0.00 -2.00 0.00 0.00 41.25 38.71 2k4v s ASN 34 CO 0.02 0.28 1.95 0.00 -2.94 0.00 0.00 177.10 176.41 2k4v h ALA 35 N 4.02 1.00 -0.04 3.54 0.00 -2.00 -0.52 119.26 125.26 2k4v h ALA 35 Ca -0.49 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 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 0.65 0.00 -0.23 1.49 0.00 0.00 0.00 179.25 181.16 2k4v h GLU 36 N 0.00 0.23 0.00 0.00 4.81 -2.02 -3.41 114.58 114.19 2k4v h GLU 36 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2k4v h GLU 36 Cb 0.33 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2k4v h GLU 36 CO 0.00 0.85 0.00 0.45 -0.73 0.00 0.00 179.01 179.58 2k4v n SER 37 N -4.52 0.05 0.00 1.04 2.88 -1.24 -5.13 113.62 106.70 2k4v n SER 37 Ca -0.09 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 2k4v n SER 37 Cb 0.46 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.20 1.04 3.71 0.46 0.00 -0.20 -4.94 105.19 105.45 2k4v n GLY 38 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 3.73 0.09 4.61 0.00 -1.26 -0.43 121.76 126.49 2k4v s ALA 39 Ca 0.00 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 2k4v s ALA 39 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2k4v s ALA 39 CO 0.00 -0.83 0.03 1.52 0.00 0.00 0.00 175.76 176.48 2k4v s TYR 40 N 1.49 0.63 -0.13 0.00 1.13 -0.42 -1.78 117.35 118.27 2k4v s TYR 40 Ca 0.70 -1.10 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 2k4v s TYR 40 Cb -0.42 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.05 2k4v s TYR 40 CO 0.31 -0.45 -0.21 0.08 -2.51 0.00 0.00 175.55 172.76 2k4v s VAL 41 N -3.97 2.20 -0.50 -3.49 1.01 -0.48 -0.94 120.40 114.23 2k4v s VAL 41 Ca 0.14 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 2k4v s VAL 41 Cb 0.07 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.61 2k4v s VAL 41 CO -0.05 0.55 0.97 -2.28 0.00 0.00 0.00 175.10 174.28 2k4v s HIS 42 N 0.60 2.85 -0.32 5.22 5.04 0.08 -1.87 115.29 126.88 2k4v s HIS 42 Ca -0.12 0.28 -0.17 0.00 -1.54 0.00 0.00 55.06 53.51 2k4v s HIS 42 Cb -0.16 -4.08 -0.01 0.00 0.04 0.00 0.00 32.58 28.36 2k4v s HIS 42 CO 0.03 -1.23 0.45 -0.06 -2.34 0.00 0.00 174.74 171.58 2k4v s PHE 43 N 3.96 3.21 -0.11 3.88 0.08 -0.51 -1.52 117.98 126.96 2k4v s PHE 43 Ca 0.36 0.21 -0.01 0.00 0.12 0.00 0.00 56.93 57.61 2k4v s PHE 43 Cb -0.10 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 2k4v s PHE 43 CO 0.24 -0.43 -0.07 0.34 -0.10 0.00 0.00 175.22 175.21 2k4v s ASP 44 N 1.71 4.61 -0.07 1.36 2.15 -0.72 -1.29 116.67 124.43 2k4v s ASP 44 Ca 0.16 -0.11 0.02 0.00 0.43 0.00 0.00 52.55 53.05 2k4v s ASP 44 Cb -0.16 -1.48 0.02 0.00 -0.30 0.00 0.00 42.92 40.99 2k4v s ASP 44 CO 0.12 0.26 -0.11 -0.04 -0.17 0.00 0.00 175.17 175.23 2k4v s MET 45 N -0.17 1.57 0.03 4.34 -1.94 -0.35 -0.78 119.30 122.00 2k4v s MET 45 Ca 0.02 -0.36 -0.14 0.00 -1.71 0.00 0.00 55.69 53.50 2k4v s MET 45 Cb -0.13 -1.34 0.02 0.00 2.01 0.00 0.00 34.83 35.39 2k4v s MET 45 CO 0.03 -0.01 0.31 0.16 -0.01 0.00 0.00 175.02 175.50 2k4v s ASP 46 N 0.78 -0.15 0.00 3.03 -4.77 -1.12 -0.68 116.67 113.76 2k4v s ASP 46 Ca -0.13 -0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 2k4v s ASP 46 Cb -0.15 0.35 0.00 0.00 -1.09 0.00 0.00 42.92 42.02 2k4v s ASP 46 CO 0.02 -0.57 0.00 0.61 0.70 0.00 0.00 175.17 175.93 2k4v n GLY 47 N 0.76 -0.74 2.95 2.12 0.00 -0.92 -0.24 105.19 109.12 2k4v n GLY 47 Ca -0.19 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.86 0.38 -0.20 1.61 -1.05 -0.14 -1.72 118.70 116.71 2k4v s GLU 48 Ca 0.00 0.60 -0.09 0.00 -0.15 0.00 0.00 54.97 55.33 2k4v s GLU 48 Cb 0.00 -0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.32 2k4v s GLU 48 CO 0.00 -0.65 0.10 0.42 0.95 0.00 0.00 175.26 176.08 2k4v s ILE 49 N 2.59 5.04 -1.39 1.83 1.01 -0.62 -1.46 121.20 128.20 2k4v s ILE 49 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2k4v s ILE 49 Cb -0.15 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2k4v s ILE 49 CO -0.17 0.43 0.00 -0.67 0.00 0.00 0.00 174.94 174.53 2k4v n ASP 50 N 3.76 -4.56 0.00 3.58 2.03 0.14 -1.72 116.55 119.78 2k4v n ASP 50 Ca -0.16 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2k4v n ASP 50 Cb 0.52 -3.46 0.00 0.00 -0.72 0.00 0.00 41.12 37.46 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 -1.16 0.80 3.48 0.27 0.00 -1.02 -4.89 105.19 102.68 2k4v n GLY 51 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.05 3.07 0.45 1.61 1.02 -0.70 -4.95 119.74 120.20 2k4v s LYS 52 Ca 0.00 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 54.91 2k4v s LYS 52 Cb 0.00 -3.97 -0.08 0.00 -0.52 0.00 0.00 37.83 33.26 2k4v s LYS 52 CO 0.00 -0.81 1.34 -1.25 -0.92 0.00 0.00 175.35 173.71 2k4v s PRO 53 N 1.99 3.74 0.04 -1.68 0.04 -1.26 -1.59 135.00 136.28 2k4v s PRO 53 Ca 0.10 2.22 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 2k4v s PRO 53 Cb -0.18 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 2k4v s PRO 53 CO 0.12 -0.71 0.13 -0.59 0.04 0.00 0.00 177.00 176.00 2k4v s PHE 54 N -1.27 0.16 -0.13 0.56 -0.71 -0.70 -4.94 117.98 110.95 2k4v s PHE 54 Ca 0.61 -0.45 -0.08 0.00 -1.04 0.00 0.00 56.93 55.97 2k4v s PHE 54 Cb -0.39 -0.11 0.05 0.00 -1.21 0.00 0.00 43.02 41.36 2k4v s PHE 54 CO 0.50 -0.40 0.32 -1.12 -1.34 0.00 0.00 175.22 173.18 2k4v s SER 55 N -2.18 -0.37 0.07 1.98 0.01 -1.26 -2.18 113.70 109.77 2k4v s SER 55 Ca -0.04 0.69 -0.04 0.00 1.31 0.00 0.00 55.95 57.87 2k4v s SER 55 Cb -0.01 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.78 2k4v s SER 55 CO -0.05 -0.17 0.06 -1.81 0.41 0.00 0.00 173.24 171.68 2k4v s ASP 56 N 1.19 0.35 -0.12 2.44 1.01 0.14 -5.01 116.67 116.66 2k4v s ASP 56 Ca -0.08 -0.91 -0.11 0.00 0.71 0.00 0.00 52.55 52.17 2k4v s ASP 56 Cb -0.09 0.26 0.03 0.00 1.01 0.00 0.00 42.92 44.14 2k4v s ASP 56 CO -0.09 -0.66 0.32 -0.44 0.21 0.00 0.00 175.17 174.51 2k4v s SER 57 N -2.91 -0.34 -0.02 0.27 0.01 -1.26 -1.21 113.70 108.22 2k4v s SER 57 Ca 0.08 0.65 0.01 0.00 1.31 0.00 0.00 55.95 58.00 2k4v s SER 57 Cb 0.07 0.64 0.02 0.00 0.21 0.00 0.00 66.02 66.96 2k4v s SER 57 CO -0.09 -0.12 -0.02 0.72 0.41 0.00 0.00 173.24 174.14 2k4v s PHE 58 N 0.34 0.42 -0.17 2.43 -0.71 -0.41 -5.03 117.98 114.86 2k4v s PHE 58 Ca -0.01 -0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 55.80 2k4v s PHE 58 Cb -0.03 -0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 41.36 2k4v s PHE 58 CO -0.01 -0.10 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.45 2k4v s GLU 59 N 0.66 3.34 -0.10 1.99 8.01 -1.26 -1.42 118.70 129.91 2k4v s GLU 59 Ca -0.07 -0.68 0.01 0.00 0.01 0.00 0.00 54.97 54.24 2k4v s GLU 59 Cb -0.10 -2.76 0.02 0.00 -4.31 0.00 0.00 34.13 26.97 2k4v s GLU 59 CO -0.01 0.02 -0.13 -0.51 0.01 0.00 0.00 175.26 174.64 2k4v s LEU 60 N 0.87 1.60 1.03 1.80 1.43 -0.78 -4.98 118.68 119.64 2k4v s LEU 60 Ca -0.03 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 2k4v s LEU 60 Cb -0.15 -0.97 0.21 0.00 0.03 0.00 0.00 46.19 45.31 2k4v s LEU 60 CO 0.00 -0.01 1.07 -2.16 0.23 0.00 0.00 176.35 175.49 2k4v s PRO 61 N 1.04 0.11 0.59 1.29 0.04 -1.26 -1.39 135.00 135.42 2k4v s PRO 61 Ca -0.07 0.92 0.29 0.00 0.04 0.00 0.00 61.00 62.18 2k4v s PRO 61 Cb -0.15 -1.67 1.31 0.00 0.04 0.00 0.00 34.50 34.04 2k4v s PRO 61 CO -0.01 -3.05 1.68 -0.09 0.04 0.00 0.00 177.00 175.57 2k4v h ARG 62 N -2.14 0.00 -0.37 4.56 2.43 -1.69 0.44 114.38 117.60 2k4v h ARG 62 Ca -0.54 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.51 2k4v h ARG 62 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2k4v h ARG 62 CO 0.51 0.00 -0.23 0.22 -1.51 0.00 0.00 179.97 178.95 2k4v h ASP 63 N 0.00 0.75 0.00 -3.80 3.58 -1.90 -3.37 116.42 111.68 2k4v h ASP 63 Ca 0.35 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k4v h ASP 63 Cb 1.91 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.75 2k4v h ASP 63 CO -0.00 0.97 0.00 0.35 -2.88 0.00 0.00 179.24 177.67 2k4v n THR 64 N -4.11 0.26 -0.31 2.25 -2.24 -0.16 -4.82 114.28 105.16 2k4v n THR 64 Ca -0.00 -0.40 0.07 0.00 -2.27 0.00 0.00 64.05 61.45 2k4v n THR 64 Cb 0.44 1.10 0.27 0.00 -2.10 0.00 0.00 70.33 70.04 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 1.58 0.00 6.98 0.00 -0.38 -2.21 119.26 125.24 2k4v h ALA 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4v h ALA 65 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k4v h ALA 65 CO 0.00 0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.67 2k4v n PHE 66 N -4.54 0.00 1.32 0.00 3.72 -1.26 -1.98 117.46 114.72 2k4v n PHE 66 Ca 0.16 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.69 2k4v n PHE 66 Cb 0.30 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.21 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 -0.98 1.93 -0.16 4.37 3.02 -0.83 -4.60 115.26 118.03 2k4v n ASN 67 Ca 0.13 -1.61 0.16 0.00 -0.03 0.00 0.00 54.58 53.22 2k4v n ASN 67 Cb 0.06 0.02 0.51 0.00 -0.61 0.00 0.00 39.78 39.77 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 2.99 0.46 -0.49 3.10 -0.00 -1.59 -2.58 116.94 118.83 2k4v h PHE 68 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 57.97 58.04 2k4v h PHE 68 Cb 0.66 -0.15 -0.03 0.00 -0.00 0.00 0.00 35.95 36.43 2k4v h PHE 68 CO 0.00 0.18 0.33 0.00 -0.00 0.00 0.00 178.31 178.81 2k4v h ALA 69 N 1.65 1.90 -0.14 12.09 0.00 -1.86 0.18 119.26 133.08 2k4v h ALA 69 Ca 0.36 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.04 2k4v h ALA 69 Cb 0.85 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k4v h ALA 69 CO -0.11 0.02 -0.78 0.77 0.00 0.00 0.00 179.25 179.14 2k4v h SER 70 N 0.44 0.89 0.12 0.00 0.02 -1.83 -1.88 113.55 111.30 2k4v h SER 70 Ca 0.21 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2k4v h SER 70 Cb 0.28 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2k4v h SER 70 CO -0.05 1.38 -0.06 0.44 -1.14 0.00 0.00 176.83 177.40 2k4v h ASP 71 N 0.50 -0.14 -1.10 3.07 3.32 -1.49 -1.23 116.42 119.36 2k4v h ASP 71 Ca -0.05 -0.42 0.32 0.00 0.02 0.00 0.00 57.03 56.89 2k4v h ASP 71 Cb 1.41 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.95 2k4v h ASP 71 CO 0.16 0.42 0.79 0.00 -1.72 0.00 0.00 179.24 178.89 2k4v h ALA 72 N -0.06 3.02 0.20 3.45 0.00 -0.76 0.10 119.26 125.21 2k4v h ALA 72 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 2k4v h ALA 72 Cb 0.55 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.45 2k4v h ALA 72 CO 0.03 -1.33 -1.38 1.15 0.00 0.00 0.00 179.25 177.72 2k4v h THR 73 N 0.01 1.24 -0.61 0.00 2.02 -1.34 -3.19 112.91 111.05 2k4v h THR 73 Ca 0.53 -2.60 -0.04 0.00 0.77 0.00 0.00 66.41 65.07 2k4v h THR 73 Cb 2.08 3.00 -0.03 0.00 -1.74 0.00 0.00 68.15 71.46 2k4v h THR 73 CO -0.02 0.79 0.21 -0.09 0.37 0.00 0.00 175.52 176.78 2k4v h ARG 74 N -0.03 0.94 -0.45 6.66 2.43 0.26 -0.67 114.38 123.52 2k4v h ARG 74 Ca -0.25 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 58.60 2k4v h ARG 74 Cb 2.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 2k4v h ARG 74 CO 0.21 0.82 -0.23 0.28 -1.51 0.00 0.00 179.97 179.54 2k4v h VAL 75 N 0.86 1.27 -0.24 0.20 2.07 -1.08 -1.94 116.25 117.39 2k4v h VAL 75 Ca 0.20 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 2k4v h VAL 75 Cb 0.26 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2k4v h VAL 75 CO -0.01 0.47 0.09 0.00 0.02 0.00 0.00 177.57 178.14 2k4v h ALA 76 N 0.92 0.32 0.05 1.67 0.00 -1.44 -3.15 119.26 117.63 2k4v h ALA 76 Ca 0.10 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2k4v h ALA 76 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k4v h ALA 76 CO 0.07 -0.08 -1.06 -0.56 0.00 0.00 0.00 179.25 177.62 2k4v h GLN 77 N 0.24 0.16 -0.52 0.00 3.07 -1.18 -3.31 115.11 113.57 2k4v h GLN 77 Ca 0.08 -0.24 0.10 0.00 0.09 0.00 0.00 58.65 58.68 2k4v h GLN 77 Cb 0.20 0.08 -0.08 0.00 0.08 0.00 0.00 27.48 27.76 2k4v h GLN 77 CO -0.01 1.07 0.03 -0.22 0.09 0.00 0.00 178.83 179.80 2k4v h LYS 78 N 0.06 0.15 -0.42 0.06 3.64 -1.31 -1.91 116.57 116.84 2k4v h LYS 78 Ca -0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2k4v h LYS 78 Cb 1.77 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 2k4v h LYS 78 CO 0.16 0.10 0.00 1.58 -2.27 0.00 0.00 179.45 179.02 2k4v n HIS 79 N -5.20 0.05 0.00 1.91 -0.00 -1.20 -4.73 115.22 106.06 2k4v n HIS 79 Ca 0.06 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2k4v n HIS 79 Cb 0.28 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k4v n GLY 80 N 0.33 0.76 3.10 1.57 0.00 -0.99 -4.79 105.19 105.18 2k4v n GLY 80 Ca 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2k4v n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4v s LEU 81 N 0.00 1.90 -0.49 0.99 2.96 -0.75 -4.82 118.68 118.47 2k4v s LEU 81 Ca 0.00 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 2k4v s LEU 81 Cb 0.00 0.53 0.19 0.00 0.50 0.00 0.00 46.19 47.41 2k4v s LEU 81 CO 0.00 -0.51 0.67 -1.38 -1.32 0.00 0.00 176.35 173.82 2k4v s HIS 82 N -2.68 -1.40 -1.18 5.38 -3.43 -1.26 -4.45 115.29 106.27 2k4v s HIS 82 Ca -0.04 -0.56 -0.18 0.00 -0.80 0.00 0.00 55.06 53.47 2k4v s HIS 82 Cb -0.01 0.21 0.09 0.00 -1.43 0.00 0.00 32.58 31.44 2k4v s HIS 82 CO -0.05 -1.22 1.56 -1.25 -2.00 0.00 0.00 174.74 171.78 2k4v s PRO 83 N 1.00 3.88 0.17 -0.38 0.04 -1.26 -4.78 135.00 133.67 2k4v s PRO 83 Ca 0.27 -1.87 0.03 0.00 0.04 0.00 0.00 61.00 59.47 2k4v s PRO 83 Cb -0.01 -5.35 0.02 0.00 0.04 0.00 0.00 34.50 29.20 2k4v s PRO 83 CO -0.06 -2.11 1.40 0.87 0.04 0.00 0.00 177.00 177.13 2k4v h LYS 84 N 8.15 0.19 0.09 4.56 1.57 -1.95 -0.11 116.57 129.07 2k4v h LYS 84 Ca 0.34 -0.20 -0.29 0.00 -1.87 0.00 0.00 60.65 58.63 2k4v h LYS 84 Cb 0.92 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2k4v h LYS 84 CO 1.38 0.93 -1.46 0.35 -0.57 0.00 0.00 179.45 180.08 2k4v h PHE 85 N 0.11 0.35 -0.25 -1.35 3.57 -1.87 -3.19 116.94 114.31 2k4v h PHE 85 Ca -0.04 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 61.09 2k4v h PHE 85 Cb 1.46 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.18 2k4v h PHE 85 CO 0.03 1.29 -0.29 0.78 -2.23 0.00 0.00 178.31 177.89 2k4v h GLY 86 N 2.03 0.69 -5.64 2.40 0.00 -1.93 -3.42 103.07 97.20 2k4v h GLY 86 Ca -0.21 -0.73 -0.22 0.00 0.00 0.00 0.00 47.33 46.17 2k4v h GLY 86 CO 0.15 0.66 -0.57 0.00 0.00 0.00 0.00 176.54 176.78 2k4v s ALA 87 N -4.29 -1.47 0.15 3.60 0.00 -0.06 -5.02 121.76 114.68 2k4v s ALA 87 Ca -0.13 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 2k4v s ALA 87 Cb 0.08 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2k4v s ALA 87 CO 0.82 -2.19 1.37 0.97 0.00 0.00 0.00 175.76 176.73 2k4v h ILE 88 N 4.95 1.38 -0.00 0.00 -0.00 -1.67 -3.20 117.51 118.98 2k4v h ILE 88 Ca 0.08 -2.25 0.00 0.00 -0.00 0.00 0.00 64.86 62.69 2k4v h ILE 88 Cb 1.09 2.23 0.00 0.00 -0.00 0.00 0.00 36.82 40.14 2k4v h ILE 88 CO 0.11 0.68 -0.56 0.41 -0.00 0.00 0.00 178.15 178.78 2k4v n THR 89 N -3.81 0.00 0.00 2.19 -1.04 -1.26 -4.99 114.28 105.37 2k4v n THR 89 Ca -0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2k4v n THR 89 Cb 0.76 0.45 0.00 0.00 -1.82 0.00 0.00 70.33 69.72 2k4v n THR 89 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2k4v n ARG 90 N -1.33 0.00 -2.31 -2.82 0.00 -1.21 -4.82 116.66 104.17 2k4v n ARG 90 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.50 2k4v n ARG 90 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.77 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 3.69 0.81 5.15 0.11 -1.26 -4.97 120.40 123.93 2k4v s VAL 91 Ca 0.00 0.56 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 2k4v s VAL 91 Cb 0.00 -4.32 0.08 0.00 -1.53 0.00 0.00 36.38 30.61 2k4v s VAL 91 CO 0.00 -1.10 1.09 -2.28 -3.33 0.00 0.00 175.10 169.48 2k4v s HIS 92 N 6.60 2.50 1.27 1.54 2.46 -1.26 -5.05 115.29 123.35 2k4v s HIS 92 Ca 0.56 1.45 -0.20 0.00 0.47 0.00 0.00 55.06 57.34 2k4v s HIS 92 Cb -0.12 -3.08 0.31 0.00 -0.13 0.00 0.00 32.58 29.56 2k4v s HIS 92 CO 0.24 -1.99 1.05 -1.59 -2.47 0.00 0.00 174.74 169.98 2k4v s LYS 93 N -4.92 -1.76 -0.97 2.88 -2.85 -1.26 -3.80 119.74 107.07 2k4v s LYS 93 Ca 0.62 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 2k4v s LYS 93 Cb -0.17 -1.52 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 2k4v s LYS 93 CO 0.56 -4.09 0.00 -0.85 0.10 0.00 0.00 175.35 171.08 2k4v n GLU 94 N -5.05 -1.34 0.09 1.78 0.28 -1.26 -4.79 120.64 110.35 2k4v n GLU 94 Ca 0.12 0.58 -0.06 0.00 -0.16 0.00 0.00 57.16 57.64 2k4v n GLU 94 Cb 0.59 -4.68 0.06 0.00 1.43 0.00 0.00 31.44 28.84 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 2k4v h TYR 95 N 0.00 0.20 -0.02 -1.84 3.20 -1.98 -2.75 116.97 113.77 2k4v h TYR 95 Ca -0.19 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.53 2k4v h TYR 95 Cb 0.67 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2k4v h TYR 95 CO 0.30 0.84 -0.24 0.22 -1.64 0.00 0.00 178.16 177.65 2k4v h ASP 96 N 0.09 0.04 -0.09 -2.11 1.82 -1.88 0.12 116.42 114.41 2k4v h ASP 96 Ca -0.02 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.57 2k4v h ASP 96 Cb 1.33 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.33 2k4v h ASP 96 CO 0.11 0.28 -0.11 0.00 -1.61 0.00 0.00 179.24 177.91 2k4v h ALA 97 N 1.73 0.13 -0.81 -0.78 0.00 -1.88 -1.79 119.26 115.86 2k4v h ALA 97 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2k4v h ALA 97 Cb 0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2k4v h ALA 97 CO 0.03 -0.02 0.39 1.98 0.00 0.00 0.00 179.25 181.64 2k4v h MET 98 N -0.20 1.15 -0.27 0.00 1.85 -1.39 -1.69 114.93 114.39 2k4v h MET 98 Ca 0.01 -0.16 0.06 0.00 -0.61 0.00 0.00 59.70 59.00 2k4v h MET 98 Cb 0.64 -0.21 -0.06 0.00 0.43 0.00 0.00 31.60 32.40 2k4v h MET 98 CO 0.03 0.88 -0.12 0.35 -0.40 0.00 0.00 176.91 177.65 2k4v h PHE 99 N 1.14 -0.28 -0.26 1.39 3.04 -0.74 -1.07 116.94 120.16 2k4v h PHE 99 Ca 0.28 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.19 2k4v h PHE 99 Cb 0.10 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2k4v h PHE 99 CO 0.01 -0.18 -0.14 0.93 -2.02 0.00 0.00 178.31 176.91 2k4v h GLU 100 N -0.08 0.45 0.01 1.11 4.39 -1.08 -0.82 114.58 118.56 2k4v h GLU 100 Ca 0.14 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k4v h GLU 100 Cb 0.29 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2k4v h GLU 100 CO -0.32 0.59 -0.01 0.22 -1.16 0.00 0.00 179.01 178.33 2k4v h ASP 101 N 0.41 -0.02 -0.66 1.42 1.82 -0.85 -1.92 116.42 116.63 2k4v h ASP 101 Ca 0.08 -0.31 -0.09 0.00 -0.39 0.00 0.00 57.03 56.32 2k4v h ASP 101 Cb 0.50 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 2k4v h ASP 101 CO 0.03 0.30 0.08 0.40 -1.61 0.00 0.00 179.24 178.44 2k4v h ILE 102 N -0.33 1.27 -0.03 2.25 2.04 -1.13 -1.68 117.51 119.88 2k4v h ILE 102 Ca -0.00 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.69 2k4v h ILE 102 Cb 0.32 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2k4v h ILE 102 CO 0.00 0.40 -0.42 0.08 0.00 0.00 0.00 178.15 178.22 2k4v h ARG 103 N 1.03 0.07 -0.13 2.37 -0.00 -1.15 -0.01 114.38 116.56 2k4v h ARG 103 Ca 0.20 -0.03 -0.12 0.00 -0.00 0.00 0.00 59.98 60.03 2k4v h ARG 103 Cb 0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.45 2k4v h ARG 103 CO 0.02 0.48 -0.37 0.00 -0.00 0.00 0.00 179.97 180.10 2k4v h ALA 104 N 1.52 0.22 -0.62 0.08 0.00 -1.25 -3.10 119.26 116.11 2k4v h ALA 104 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2k4v h ALA 104 Cb 0.77 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2k4v h ALA 104 CO 0.06 0.30 0.31 -0.22 0.00 0.00 0.00 179.25 179.70 2k4v h LYS 105 N 0.09 0.87 0.00 0.00 1.63 -1.00 -2.60 116.57 115.55 2k4v h LYS 105 Ca -0.01 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.64 2k4v h LYS 105 Cb 0.99 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 2k4v h LYS 105 CO 0.08 0.66 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.47 2k4v h LEU 106 N 0.87 0.00 -0.87 5.20 3.38 -1.03 -1.16 115.31 121.70 2k4v h LEU 106 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2k4v h LEU 106 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k4v h LEU 106 CO -0.03 0.20 0.00 -0.74 0.09 0.00 0.00 178.44 177.96 2k4v h HIS 107 N 0.00 0.00 -1.78 1.13 2.76 -1.38 -3.45 115.15 112.42 2k4v h HIS 107 Ca -0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 2k4v h HIS 107 Cb 0.44 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2k4v h HIS 107 CO 0.00 0.00 -0.34 0.00 -1.30 0.00 0.00 177.93 176.29 2k4v n ALA 108 N -1.91 -0.38 -3.17 5.26 0.00 -0.44 -5.01 120.51 114.87 2k4v n ALA 108 Ca 0.02 0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 2k4v n ALA 108 Cb 0.29 -1.62 -0.11 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.67 -0.28 -0.78 0.00 3.76 -1.24 -5.09 115.29 108.99 2k4v s HIS 109 Ca 0.00 0.67 -0.25 0.00 -0.15 0.00 0.00 55.06 55.33 2k4v s HIS 109 Cb 0.00 0.10 -0.06 0.00 1.11 0.00 0.00 32.58 33.73 2k4v s HIS 109 CO 0.00 -0.17 2.06 -1.25 -0.85 0.00 0.00 174.74 174.52 2k4v s PRO 110 N -0.03 2.35 -1.40 8.40 0.04 -1.26 -4.44 135.00 138.65 2k4v s PRO 110 Ca -0.02 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.11 2k4v s PRO 110 Cb -0.02 -4.82 0.08 0.00 0.04 0.00 0.00 34.50 29.78 2k4v s PRO 110 CO 0.01 -3.44 2.20 0.41 0.04 0.00 0.00 177.00 176.22 2k4v n GLY 111 N 6.52 4.63 3.67 0.56 0.00 -1.26 -4.97 105.19 114.34 2k4v n GLY 111 Ca 0.37 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 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 1.49 4.22 0.84 1.61 -1.05 -1.26 -4.89 118.70 119.65 2k4v s GLU 112 Ca 0.48 0.49 -0.12 0.00 -0.15 0.00 0.00 54.97 55.67 2k4v s GLU 112 Cb 0.13 -3.55 0.09 0.00 -0.44 0.00 0.00 34.13 30.37 2k4v s GLU 112 CO -0.05 -0.14 1.14 -2.14 0.95 0.00 0.00 175.26 175.02 2k4v s PRO 113 N 1.59 1.76 0.01 -4.83 0.02 -1.26 -5.12 135.00 127.17 2k4v s PRO 113 Ca 0.26 0.33 -0.09 0.00 0.02 0.00 0.00 61.00 61.51 2k4v s PRO 113 Cb -0.16 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.46 2k4v s PRO 113 CO 0.10 -1.78 0.19 0.54 -0.33 0.00 0.00 177.00 175.72 2k4v s VAL 114 N -3.35 0.09 -0.69 3.83 0.11 -1.26 -5.10 120.40 114.04 2k4v s VAL 114 Ca 0.62 -0.74 0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2k4v s VAL 114 Cb -0.13 -0.66 0.26 0.00 -1.53 0.00 0.00 36.38 34.33 2k4v s VAL 114 CO 0.52 -0.41 0.86 -0.67 -3.33 0.00 0.00 175.10 172.07 2k4v n ASP 115 N 1.12 4.17 -0.08 3.54 2.03 -1.26 -4.74 116.55 121.33 2k4v n ASP 115 Ca -0.21 -3.47 -0.07 0.00 0.52 0.00 0.00 54.79 51.57 2k4v n ASP 115 Cb 0.57 -0.73 -0.16 0.00 -0.72 0.00 0.00 41.12 40.08 2k4v n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4v n LEU 116 N 0.81 0.11 0.02 -2.67 -0.00 -1.26 -4.67 117.00 109.34 2k4v n LEU 116 Ca 0.30 0.05 -0.13 0.00 -0.00 0.00 0.00 56.01 56.23 2k4v n LEU 116 Cb 0.40 0.39 -0.02 0.00 -0.00 0.00 0.00 43.42 44.19 2k4v n LEU 116 CO 0.44 0.41 0.30 -0.08 -0.00 0.00 0.00 177.39 178.47 2k4v h GLU 117 N 0.00 0.56 0.00 1.47 4.81 -1.88 -3.26 114.58 116.29 2k4v h GLU 117 Ca -0.44 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.31 2k4v h GLU 117 Cb 2.05 0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.53 2k4v h GLU 117 CO 0.03 1.10 0.00 -2.13 -0.73 0.00 0.00 179.01 177.28 2k4v n ARG 118 N -3.87 0.18 0.00 1.92 0.63 -1.26 -2.66 116.66 111.60 2k4v n ARG 118 Ca -0.06 0.38 -0.11 0.00 -0.92 0.00 0.00 57.85 57.14 2k4v n ARG 118 Cb 0.74 -1.83 -0.09 0.00 0.45 0.00 0.00 32.46 31.73 2k4v n ARG 118 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2k4v h ILE 119 N 0.00 1.08 -3.50 5.15 5.03 -1.86 -3.40 117.51 120.00 2k4v h ILE 119 Ca 0.00 -1.45 -0.68 0.00 -0.12 0.00 0.00 64.86 62.61 2k4v h ILE 119 Cb 0.40 1.90 -0.37 0.00 -3.03 0.00 0.00 36.82 35.72 2k4v h ILE 119 CO 0.00 0.31 -0.48 -0.63 -0.68 0.00 0.00 178.15 176.67 2k4v s ILE 120 N -2.98 3.27 0.00 -0.67 1.01 -1.09 -4.88 121.20 115.86 2k4v s ILE 120 Ca -0.13 -2.86 0.00 0.00 0.00 0.00 0.00 60.65 57.65 2k4v s ILE 120 Cb -0.00 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2k4v s ILE 120 CO 0.51 -0.81 0.00 -1.14 0.00 0.00 0.00 174.94 173.50 2k4v n ARG 121 N 3.62 0.00 -3.67 2.79 0.00 -1.20 -4.82 116.66 113.38 2k4v n ARG 121 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.79 2k4v n ARG 121 Cb 0.37 -0.47 -0.08 0.00 0.00 0.00 0.00 32.46 32.28 2k4v n ARG 121 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2k4v s HIS 122 N -2.00 -0.77 -0.14 -0.14 -3.43 -1.26 -5.07 115.29 102.48 2k4v s HIS 122 Ca 0.00 1.70 -0.15 0.00 -0.80 0.00 0.00 55.06 55.81 2k4v s HIS 122 Cb 0.00 0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 31.45 2k4v s HIS 122 CO 0.00 -0.38 -0.29 -1.91 -2.00 0.00 0.00 174.74 170.16 2k4v n GLU 123 N 3.50 0.44 -0.00 -0.38 2.13 -1.26 -5.13 120.64 119.93 2k4v n GLU 123 Ca -0.17 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k4v n GLU 123 Cb 0.57 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 31.01 2k4v n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4v n GLY 124 N 1.60 3.65 3.87 8.31 0.00 -1.26 -5.31 105.19 116.04 2k4v n GLY 124 Ca -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76