#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 0.68 3.93 1.08 0.00 -1.26 -5.18 105.19 104.45 2k4v n GLY 2 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 2k4v n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4v s HIS 3 N -2.00 3.00 0.26 1.61 3.76 -1.26 -5.12 115.29 115.54 2k4v s HIS 3 Ca 0.00 0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.39 2k4v s HIS 3 Cb 0.00 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 2k4v s HIS 3 CO 0.00 -1.22 0.14 1.41 -0.85 0.00 0.00 174.74 174.22 2k4v s MET 4 N -5.15 1.42 -0.06 1.40 0.00 -1.26 -4.97 119.30 110.68 2k4v s MET 4 Ca 0.58 -1.78 -0.29 0.00 0.00 0.00 0.00 55.69 54.20 2k4v s MET 4 Cb -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 34.83 34.73 2k4v s MET 4 CO 0.44 -0.41 0.99 0.12 0.00 0.00 0.00 175.02 176.16 2k4v s PHE 5 N -3.83 3.57 0.07 4.11 5.36 -1.26 -4.37 117.98 121.63 2k4v s PHE 5 Ca 0.38 1.62 0.02 0.00 -0.96 0.00 0.00 56.93 57.99 2k4v s PHE 5 Cb 0.06 -3.15 -0.03 0.00 -0.34 0.00 0.00 43.02 39.56 2k4v s PHE 5 CO 0.15 -0.13 -0.08 -1.83 -1.46 0.00 0.00 175.22 171.87 2k4v s GLU 6 N 1.59 0.69 -0.33 10.12 -1.05 -0.54 -5.04 118.70 124.13 2k4v s GLU 6 Ca 0.49 -1.02 -0.34 0.00 -0.15 0.00 0.00 54.97 53.95 2k4v s GLU 6 Cb -0.19 -0.31 -0.11 0.00 -0.44 0.00 0.00 34.13 33.08 2k4v s GLU 6 CO 0.22 0.04 2.19 -2.30 0.95 0.00 0.00 175.26 176.35 2k4v n PRO 7 N 0.81 1.20 0.00 -4.83 -0.02 -1.26 -1.61 135.00 129.29 2k4v n PRO 7 Ca -0.18 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2k4v n PRO 7 Cb 0.57 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 6.42 2.07 3.20 -1.23 0.00 -1.26 -5.07 105.19 109.32 2k4v n GLY 8 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.95 -0.71 -0.05 1.61 5.65 -0.63 -3.18 115.29 116.02 2k4v s HIS 9 Ca 0.00 1.39 -0.03 0.00 0.25 0.00 0.00 55.06 56.67 2k4v s HIS 9 Cb 0.00 0.22 -0.04 0.00 -1.18 0.00 0.00 32.58 31.58 2k4v s HIS 9 CO 0.00 -0.46 0.11 -1.17 -0.65 0.00 0.00 174.74 172.58 2k4v s LEU 10 N 2.57 4.12 -0.14 8.88 2.96 -0.45 -1.47 118.68 135.14 2k4v s LEU 10 Ca -0.01 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2k4v s LEU 10 Cb -0.12 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.35 2k4v s LEU 10 CO -0.12 0.33 -0.21 -2.28 -1.32 0.00 0.00 176.35 172.75 2k4v s HIS 11 N -1.13 2.58 -0.20 5.38 5.65 -1.26 -1.10 115.29 125.21 2k4v s HIS 11 Ca 0.20 -1.31 -0.09 0.00 0.25 0.00 0.00 55.06 54.11 2k4v s HIS 11 Cb -0.12 -1.77 -0.04 0.00 -1.18 0.00 0.00 32.58 29.46 2k4v s HIS 11 CO 0.10 -0.61 0.10 -0.51 -0.65 0.00 0.00 174.74 173.18 2k4v s LEU 12 N 0.88 3.97 0.22 8.88 1.43 -0.53 -4.83 118.68 128.70 2k4v s LEU 12 Ca -0.06 0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 2k4v s LEU 12 Cb -0.15 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2k4v s LEU 12 CO -0.03 0.14 -0.16 0.68 0.23 0.00 0.00 176.35 177.21 2k4v s VAL 13 N 0.59 1.93 0.11 -1.59 -7.23 -1.26 -1.39 120.40 111.57 2k4v s VAL 13 Ca 0.06 -2.25 -0.31 0.00 -1.81 0.00 0.00 61.98 57.67 2k4v s VAL 13 Cb -0.12 -2.10 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 2k4v s VAL 13 CO 0.01 -0.53 1.47 -0.55 -0.31 0.00 0.00 175.10 175.19 2k4v s SER 14 N -3.33 6.74 -0.32 4.85 0.15 -1.26 -4.91 113.70 115.62 2k4v s SER 14 Ca 0.24 2.40 -0.28 0.00 0.70 0.00 0.00 55.95 59.01 2k4v s SER 14 Cb -0.02 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2k4v s SER 14 CO 0.09 -0.73 1.97 -0.76 1.20 0.00 0.00 173.24 175.01 2k4v s LEU 15 N 1.40 3.46 0.40 3.45 1.43 -1.26 -4.91 118.68 122.65 2k4v s LEU 15 Ca 0.67 1.41 -0.27 0.00 -1.03 0.00 0.00 54.13 54.92 2k4v s LEU 15 Cb -0.39 -3.39 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 2k4v s LEU 15 CO 0.30 -1.90 1.37 -2.16 0.23 0.00 0.00 176.35 174.20 2k4v s PRO 16 N 6.11 3.99 0.00 1.29 0.04 -1.26 -4.04 135.00 141.13 2k4v s PRO 16 Ca 0.87 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.23 2k4v s PRO 16 Cb -0.25 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2k4v s PRO 16 CO 0.33 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.24 2k4v n GLY 17 N 0.62 1.31 0.00 0.56 0.00 -1.26 -5.00 105.19 101.42 2k4v n GLY 17 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.23 -3.67 0.99 4.77 -1.26 -5.05 117.00 113.02 2k4v n LEU 18 Ca 0.00 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 2k4v n LEU 18 Cb 0.00 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 2k4v n LEU 18 CO 0.00 -0.40 0.10 -0.62 -1.33 0.00 0.00 177.39 175.14 2k4v s ASP 19 N -3.09 -0.54 -1.34 -1.43 2.15 -1.26 -5.08 116.67 106.08 2k4v s ASP 19 Ca 0.00 1.06 -0.11 0.00 0.43 0.00 0.00 52.55 53.93 2k4v s ASP 19 Cb 0.00 1.15 0.13 0.00 -0.30 0.00 0.00 42.92 43.90 2k4v s ASP 19 CO 0.00 -0.21 2.01 1.67 -0.17 0.00 0.00 175.17 178.46 2k4v n GLN 20 N 4.72 3.42 -2.83 4.34 0.00 -1.26 -4.92 117.38 120.85 2k4v n GLN 20 Ca -0.17 -3.24 -0.37 0.00 -0.00 0.00 0.00 57.00 53.22 2k4v n GLN 20 Cb 0.53 -3.02 -0.06 0.00 0.00 0.00 0.00 30.24 27.69 2k4v n GLN 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2k4v s GLN 21 N 1.19 4.52 -1.31 3.69 0.74 -1.26 -4.99 119.66 122.23 2k4v s GLN 21 Ca 0.42 1.25 -0.11 0.00 0.05 0.00 0.00 55.36 56.98 2k4v s GLN 21 Cb 0.11 -2.80 0.14 0.00 1.10 0.00 0.00 33.01 31.57 2k4v s GLN 21 CO -0.03 0.29 1.93 -0.25 -0.55 0.00 0.00 175.29 176.68 2k4v n ASP 22 N 0.55 4.85 -4.70 6.67 8.00 -1.26 -4.70 116.55 125.96 2k4v n ASP 22 Ca 0.01 -3.05 -0.34 0.00 0.71 0.00 0.00 54.79 52.13 2k4v n ASP 22 Cb 0.50 -1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 39.99 2k4v n ASP 22 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2k4v s ILE 23 N 1.05 4.32 -0.18 0.53 -5.25 -1.26 -0.77 121.20 119.64 2k4v s ILE 23 Ca 0.41 -0.38 -0.09 0.00 -0.99 0.00 0.00 60.65 59.61 2k4v s ILE 23 Cb 0.10 -2.87 0.06 0.00 2.95 0.00 0.00 42.46 42.70 2k4v s ILE 23 CO -0.01 0.50 0.42 0.54 -1.79 0.00 0.00 174.94 174.60 2k4v s ASN 24 N -1.20 -0.49 -0.07 4.36 2.20 -0.62 -4.24 114.94 114.87 2k4v s ASN 24 Ca 0.16 0.92 0.02 0.00 -0.94 0.00 0.00 52.86 53.02 2k4v s ASN 24 Cb -0.11 0.86 0.01 0.00 -2.00 0.00 0.00 41.25 40.00 2k4v s ASN 24 CO 0.06 -0.20 -0.13 -0.63 -2.94 0.00 0.00 177.10 173.26 2k4v s ILE 25 N 1.56 1.21 -0.41 0.54 1.01 -0.48 -2.40 121.20 122.23 2k4v s ILE 25 Ca -0.09 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 2k4v s ILE 25 Cb -0.09 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.31 2k4v s ILE 25 CO -0.13 0.37 0.28 -1.00 0.00 0.00 0.00 174.94 174.46 2k4v s HIS 26 N 0.71 3.25 -0.45 3.97 3.76 -0.31 -1.45 115.29 124.78 2k4v s HIS 26 Ca -0.13 -0.84 -0.14 0.00 -0.15 0.00 0.00 55.06 53.80 2k4v s HIS 26 Cb -0.16 -2.64 0.07 0.00 1.11 0.00 0.00 32.58 30.96 2k4v s HIS 26 CO 0.03 -0.66 0.35 0.42 -0.85 0.00 0.00 174.74 174.04 2k4v s ILE 27 N 1.61 4.97 -0.41 0.60 1.01 -0.26 -2.71 121.20 126.01 2k4v s ILE 27 Ca 0.04 -1.12 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 2k4v s ILE 27 Cb -0.20 -3.97 0.04 0.00 0.01 0.00 0.00 42.46 38.34 2k4v s ILE 27 CO 0.08 -0.54 0.29 -0.13 0.00 0.00 0.00 174.94 174.64 2k4v s ARG 28 N 1.59 2.91 -0.25 2.79 0.52 0.00 -1.34 118.95 125.16 2k4v s ARG 28 Ca 0.04 -1.13 -0.04 0.00 -0.52 0.00 0.00 55.73 54.08 2k4v s ARG 28 Cb -0.24 -3.93 0.01 0.00 0.52 0.00 0.00 34.95 31.31 2k4v s ARG 28 CO 0.06 -0.80 -0.01 1.52 0.02 0.00 0.00 175.30 176.08 2k4v s TYR 29 N 1.62 3.05 -0.24 -0.53 1.13 -1.19 -0.62 117.35 120.56 2k4v s TYR 29 Ca 0.04 -1.14 0.02 0.00 -1.41 0.00 0.00 57.07 54.58 2k4v s TYR 29 Cb -0.20 -2.14 0.06 0.00 -1.10 0.00 0.00 41.96 38.58 2k4v s TYR 29 CO 0.08 -0.61 -0.11 -1.21 -2.51 0.00 0.00 175.55 171.19 2k4v s GLU 30 N 1.44 2.19 -0.32 -3.49 2.02 -0.31 -4.72 118.70 115.51 2k4v s GLU 30 Ca 0.03 -1.21 -0.26 0.00 0.02 0.00 0.00 54.97 53.55 2k4v s GLU 30 Cb -0.16 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.30 2k4v s GLU 30 CO -0.02 -0.53 0.91 0.08 0.02 0.00 0.00 175.26 175.72 2k4v s VAL 31 N 1.18 4.67 0.14 2.63 1.01 -1.26 -0.85 120.40 127.92 2k4v s VAL 31 Ca -0.07 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.36 2k4v s VAL 31 Cb -0.19 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2k4v s VAL 31 CO -0.06 -0.37 -0.16 -0.60 0.00 0.00 0.00 175.10 173.91 2k4v s ARG 32 N 3.27 1.13 -0.34 2.72 3.52 -0.61 -5.01 118.95 123.62 2k4v s ARG 32 Ca 0.38 -1.32 -0.09 0.00 -0.13 0.00 0.00 55.73 54.56 2k4v s ARG 32 Cb -0.13 -1.07 0.02 0.00 -1.56 0.00 0.00 34.95 32.20 2k4v s ARG 32 CO 0.14 0.21 0.16 -0.65 -0.81 0.00 0.00 175.30 174.35 2k4v s GLN 33 N -2.78 2.92 0.05 5.12 -1.52 -1.26 -1.68 119.66 120.51 2k4v s GLN 33 Ca 0.12 -1.00 -0.05 0.00 -1.95 0.00 0.00 55.36 52.49 2k4v s GLN 33 Cb -0.05 -3.60 -0.05 0.00 -0.22 0.00 0.00 33.01 29.09 2k4v s GLN 33 CO 0.04 -0.60 0.28 0.54 -0.25 0.00 0.00 175.29 175.30 2k4v s ASN 34 N 1.53 6.46 0.43 5.90 6.03 0.36 -4.99 114.94 130.67 2k4v s ASN 34 Ca 0.02 0.50 0.29 0.00 -1.03 0.00 0.00 52.86 52.64 2k4v s ASN 34 Cb -0.19 -2.06 1.14 0.00 -3.03 0.00 0.00 41.25 37.11 2k4v s ASN 34 CO 0.05 0.19 1.86 0.00 -2.03 0.00 0.00 177.10 177.17 2k4v h ALA 35 N 3.54 1.00 0.19 3.54 0.00 -1.99 0.27 119.26 125.80 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 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k4v h ALA 35 CO 0.70 0.00 -0.09 1.49 0.00 0.00 0.00 179.25 181.35 2k4v h GLU 36 N 0.00 -0.24 0.00 0.00 4.57 -2.02 -3.39 114.58 113.50 2k4v h GLU 36 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2k4v h GLU 36 Cb 0.52 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2k4v h GLU 36 CO 0.00 0.14 0.00 0.45 -1.18 0.00 0.00 179.01 178.42 2k4v n SER 37 N -5.01 1.18 0.00 1.04 2.88 -1.22 -5.10 113.62 107.39 2k4v n SER 37 Ca -0.09 -1.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 2k4v n SER 37 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.21 1.99 3.75 0.46 0.00 0.08 -4.77 105.19 106.48 2k4v n GLY 38 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.45 3.33 0.21 4.61 0.00 -1.26 -0.49 121.76 126.71 2k4v s ALA 39 Ca 0.00 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 2k4v s ALA 39 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2k4v s ALA 39 CO 0.00 0.14 0.47 1.52 0.00 0.00 0.00 175.76 177.89 2k4v s TYR 40 N -0.74 0.16 -0.14 0.00 1.13 -0.68 -1.55 117.35 115.53 2k4v s TYR 40 Ca 0.42 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.57 2k4v s TYR 40 Cb -0.24 0.24 0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2k4v s TYR 40 CO 0.30 -0.92 -0.16 0.08 -2.51 0.00 0.00 175.55 172.34 2k4v s VAL 41 N -3.95 1.63 -0.32 -3.49 1.01 -0.47 -1.57 120.40 113.24 2k4v s VAL 41 Ca 0.16 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2k4v s VAL 41 Cb -0.00 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2k4v s VAL 41 CO 0.02 0.47 1.03 -2.28 0.00 0.00 0.00 175.10 174.34 2k4v s HIS 42 N 1.26 3.16 -0.15 5.22 5.04 -0.03 -1.99 115.29 127.79 2k4v s HIS 42 Ca 0.00 1.14 -0.08 0.00 -1.54 0.00 0.00 55.06 54.58 2k4v s HIS 42 Cb -0.14 -3.60 -0.04 0.00 0.04 0.00 0.00 32.58 28.83 2k4v s HIS 42 CO -0.07 -0.73 0.13 -0.06 -2.34 0.00 0.00 174.74 171.67 2k4v s PHE 43 N 3.53 3.50 0.00 3.88 0.08 -0.23 -1.16 117.98 127.58 2k4v s PHE 43 Ca 0.43 0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.92 2k4v s PHE 43 Cb -0.13 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2k4v s PHE 43 CO 0.15 0.53 -0.03 0.34 -0.10 0.00 0.00 175.22 176.10 2k4v s ASP 44 N -0.41 0.36 -0.02 1.36 2.15 0.20 -1.12 116.67 119.20 2k4v s ASP 44 Ca 0.12 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.98 2k4v s ASP 44 Cb -0.12 -0.02 0.02 0.00 -0.30 0.00 0.00 42.92 42.51 2k4v s ASP 44 CO 0.01 -0.01 0.00 -0.04 -0.17 0.00 0.00 175.17 174.97 2k4v s MET 45 N -0.29 0.19 0.33 4.34 -1.94 0.18 -0.82 119.30 121.29 2k4v s MET 45 Ca -0.01 0.07 -0.07 0.00 -1.71 0.00 0.00 55.69 53.98 2k4v s MET 45 Cb -0.02 -0.36 0.01 0.00 2.01 0.00 0.00 34.83 36.46 2k4v s MET 45 CO -0.00 -0.11 0.52 0.16 -0.01 0.00 0.00 175.02 175.58 2k4v s ASP 46 N 0.82 0.54 0.00 3.03 -4.77 -1.10 -1.25 116.67 113.94 2k4v s ASP 46 Ca -0.08 -1.31 0.00 0.00 -3.30 0.00 0.00 52.55 47.86 2k4v s ASP 46 Cb -0.11 0.67 0.00 0.00 -1.09 0.00 0.00 42.92 42.39 2k4v s ASP 46 CO -0.02 -1.31 0.00 0.61 0.70 0.00 0.00 175.17 175.15 2k4v n GLY 47 N -0.51 0.48 3.53 2.12 0.00 -0.92 -1.16 105.19 108.73 2k4v n GLY 47 Ca -0.01 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.96 1.44 -0.29 1.61 -1.05 -1.01 -2.19 118.70 116.25 2k4v s GLU 48 Ca 0.00 -1.17 -0.01 0.00 -0.15 0.00 0.00 54.97 53.64 2k4v s GLU 48 Cb 0.00 0.46 0.18 0.00 -0.44 0.00 0.00 34.13 34.33 2k4v s GLU 48 CO 0.00 -0.59 0.54 0.42 0.95 0.00 0.00 175.26 176.58 2k4v s ILE 49 N -3.98 -0.89 -1.53 1.83 1.01 0.80 -1.59 121.20 116.84 2k4v s ILE 49 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 2k4v s ILE 49 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2k4v s ILE 49 CO 0.05 -0.04 0.33 -0.67 0.00 0.00 0.00 174.94 174.61 2k4v n ASP 50 N 5.41 -5.70 0.00 3.58 2.03 0.05 -1.22 116.55 120.71 2k4v n ASP 50 Ca -0.01 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2k4v n ASP 50 Cb 0.51 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.30 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 -1.28 2.94 3.65 0.27 0.00 -1.19 -4.88 105.19 104.69 2k4v n GLY 51 Ca -0.16 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 -0.19 4.16 0.50 1.61 3.01 -0.35 -4.97 119.74 123.51 2k4v s LYS 52 Ca 0.00 1.10 -0.21 0.00 -1.01 0.00 0.00 55.97 55.84 2k4v s LYS 52 Cb 0.00 -3.67 -0.07 0.00 -1.01 0.00 0.00 37.83 33.08 2k4v s LYS 52 CO 0.00 -0.66 1.14 -1.25 0.51 0.00 0.00 175.35 175.09 2k4v s PRO 53 N 3.16 3.57 0.01 -1.68 0.04 -1.26 -0.14 135.00 138.70 2k4v s PRO 53 Ca 0.40 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 2k4v s PRO 53 Cb -0.14 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2k4v s PRO 53 CO 0.09 -0.69 0.07 -0.59 0.04 0.00 0.00 177.00 175.92 2k4v s PHE 54 N -1.66 0.14 -0.12 0.56 -0.71 -0.93 -4.91 117.98 110.34 2k4v s PHE 54 Ca 0.68 -0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 56.19 2k4v s PHE 54 Cb -0.26 -0.11 0.06 0.00 -1.21 0.00 0.00 43.02 41.50 2k4v s PHE 54 CO 0.31 -0.26 0.26 -1.12 -1.34 0.00 0.00 175.22 173.06 2k4v s SER 55 N -1.50 0.21 0.02 1.98 0.01 -1.26 -2.17 113.70 110.98 2k4v s SER 55 Ca -0.14 0.57 -0.13 0.00 1.31 0.00 0.00 55.95 57.56 2k4v s SER 55 Cb -0.08 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.79 2k4v s SER 55 CO -0.00 -0.22 0.28 -0.62 0.41 0.00 0.00 173.24 173.08 2k4v s ASP 56 N 2.13 -0.11 -0.11 2.44 2.15 -0.38 -5.02 116.67 117.76 2k4v s ASP 56 Ca -0.01 -0.11 -0.09 0.00 0.43 0.00 0.00 52.55 52.76 2k4v s ASP 56 Cb -0.12 0.32 0.03 0.00 -0.30 0.00 0.00 42.92 42.86 2k4v s ASP 56 CO -0.08 -0.52 0.29 -0.94 -0.17 0.00 0.00 175.17 173.74 2k4v s SER 57 N -1.73 -0.31 -0.00 -0.34 1.04 -1.26 -0.64 113.70 110.45 2k4v s SER 57 Ca -0.09 0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.94 2k4v s SER 57 Cb -0.03 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 2k4v s SER 57 CO -0.00 -0.12 -0.03 0.72 0.98 0.00 0.00 173.24 174.79 2k4v s PHE 58 N 0.47 0.30 -0.14 5.02 -0.71 -0.27 -5.00 117.98 117.65 2k4v s PHE 58 Ca -0.03 -0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 55.79 2k4v s PHE 58 Cb -0.04 -0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.56 2k4v s PHE 58 CO -0.02 -0.01 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.53 2k4v s GLU 59 N -0.10 3.45 -0.09 1.99 8.01 -1.26 -1.07 118.70 129.63 2k4v s GLU 59 Ca 0.01 -0.64 0.03 0.00 0.01 0.00 0.00 54.97 54.38 2k4v s GLU 59 Cb -0.01 -2.71 0.01 0.00 -4.31 0.00 0.00 34.13 27.10 2k4v s GLU 59 CO -0.00 0.21 -0.19 -0.51 0.01 0.00 0.00 175.26 174.77 2k4v s LEU 60 N 0.39 1.92 0.99 1.80 1.43 -0.84 -4.99 118.68 119.38 2k4v s LEU 60 Ca -0.09 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 2k4v s LEU 60 Cb -0.15 -1.20 0.19 0.00 0.03 0.00 0.00 46.19 45.05 2k4v s LEU 60 CO 0.05 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.65 2k4v s PRO 61 N 0.55 0.44 0.49 1.29 0.04 -1.26 -1.37 135.00 135.18 2k4v s PRO 61 Ca -0.15 1.07 0.30 0.00 0.04 0.00 0.00 61.00 62.26 2k4v s PRO 61 Cb -0.17 -1.69 1.39 0.00 0.04 0.00 0.00 34.50 34.06 2k4v s PRO 61 CO 0.05 -2.88 1.78 0.07 0.04 0.00 0.00 177.00 176.07 2k4v h ARG 62 N -2.02 0.14 -0.04 4.56 -0.00 -1.59 0.20 114.38 115.63 2k4v h ARG 62 Ca -0.51 -0.01 -0.13 0.00 -0.00 0.00 0.00 59.98 59.32 2k4v h ARG 62 Cb 1.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 31.22 2k4v h ARG 62 CO 0.49 0.09 -0.59 0.22 -0.00 0.00 0.00 179.97 180.18 2k4v h ASP 63 N 0.15 0.15 0.00 0.08 3.58 -1.91 -3.32 116.42 115.15 2k4v h ASP 63 Ca 0.59 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2k4v h ASP 63 Cb 2.01 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 43.01 2k4v h ASP 63 CO -0.13 0.70 -0.04 0.35 -2.88 0.00 0.00 179.24 177.25 2k4v n THR 64 N -3.86 0.87 -0.33 2.25 -2.24 -0.33 -4.79 114.28 105.84 2k4v n THR 64 Ca -0.02 -0.94 -0.03 0.00 -2.27 0.00 0.00 64.05 60.80 2k4v n THR 64 Cb 0.60 0.48 0.10 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.14 0.00 6.98 0.00 -0.77 -2.38 119.26 124.23 2k4v h ALA 65 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k4v h ALA 65 Cb 0.76 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k4v h ALA 65 CO 0.00 0.51 0.00 1.19 0.00 0.00 0.00 179.25 180.95 2k4v n PHE 66 N -4.48 0.00 1.97 0.00 3.72 -1.26 -2.48 117.46 114.93 2k4v n PHE 66 Ca 0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.64 2k4v n PHE 66 Cb 0.03 -0.40 0.82 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.40 0.09 0.27 4.37 3.02 -0.89 -3.90 115.26 116.81 2k4v n ASN 67 Ca 0.05 -1.14 0.18 0.00 -0.03 0.00 0.00 54.58 53.64 2k4v n ASN 67 Cb 0.15 -0.00 0.83 0.00 -0.61 0.00 0.00 39.78 40.15 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 0.13 0.00 0.02 3.10 -0.00 -1.68 -3.21 116.94 115.29 2k4v h PHE 68 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2k4v h PHE 68 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.98 2k4v h PHE 68 CO 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 178.31 178.30 2k4v h ALA 69 N 2.03 -0.03 -0.02 12.09 0.00 -1.87 0.57 119.26 132.03 2k4v h ALA 69 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2k4v h ALA 69 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k4v h ALA 69 CO 0.00 -0.13 -0.68 0.66 0.00 0.00 0.00 179.25 179.10 2k4v h SER 70 N -0.79 0.14 0.39 0.00 4.64 -1.89 -3.17 113.55 112.87 2k4v h SER 70 Ca -0.00 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2k4v h SER 70 Cb 0.73 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2k4v h SER 70 CO 0.00 0.77 -0.19 -0.78 -0.87 0.00 0.00 176.83 175.77 2k4v h ASP 71 N 0.08 -0.44 -0.50 4.97 1.82 -1.54 -2.02 116.42 118.79 2k4v h ASP 71 Ca -0.01 -0.08 0.09 0.00 -0.39 0.00 0.00 57.03 56.63 2k4v h ASP 71 Cb 1.21 0.11 -0.07 0.00 0.68 0.00 0.00 39.33 41.26 2k4v h ASP 71 CO 0.10 0.00 0.09 0.00 -1.61 0.00 0.00 179.24 177.82 2k4v h ALA 72 N -0.88 0.55 -0.38 -0.78 0.00 -1.03 0.39 119.26 117.13 2k4v h ALA 72 Ca -0.05 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2k4v h ALA 72 Cb 0.49 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2k4v h ALA 72 CO 0.09 -0.32 0.17 1.15 0.00 0.00 0.00 179.25 180.34 2k4v h THR 73 N 0.22 0.95 -0.91 0.00 2.02 -1.64 -2.24 112.91 111.30 2k4v h THR 73 Ca 0.25 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2k4v h THR 73 Cb 0.34 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2k4v h THR 73 CO -0.34 0.06 0.59 -0.09 0.37 0.00 0.00 175.52 176.12 2k4v h ARG 74 N 0.35 1.05 -0.24 6.66 2.43 -0.67 -1.51 114.38 122.45 2k4v h ARG 74 Ca 0.17 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2k4v h ARG 74 Cb 0.10 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2k4v h ARG 74 CO -0.14 0.69 0.14 0.28 -1.51 0.00 0.00 179.97 179.44 2k4v h VAL 75 N 1.08 1.04 -0.23 0.20 2.07 -0.37 -1.70 116.25 118.33 2k4v h VAL 75 Ca 0.38 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 67.59 2k4v h VAL 75 Cb 0.12 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2k4v h VAL 75 CO -0.13 0.05 -0.64 0.00 0.02 0.00 0.00 177.57 176.87 2k4v h ALA 76 N 1.10 0.39 0.00 1.67 0.00 -1.19 -3.13 119.26 118.10 2k4v h ALA 76 Ca 0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2k4v h ALA 76 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k4v h ALA 76 CO -0.04 0.67 -0.18 -0.56 0.00 0.00 0.00 179.25 179.15 2k4v h GLN 77 N 0.61 0.00 0.00 0.00 3.07 -1.24 -0.93 115.11 116.62 2k4v h GLN 77 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2k4v h GLN 77 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.82 2k4v h GLN 77 CO 0.14 0.18 -0.04 0.87 0.09 0.00 0.00 178.83 180.07 2k4v h LYS 78 N 0.00 0.00 -0.46 0.06 1.57 -1.26 -2.48 116.57 114.00 2k4v h LYS 78 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k4v h LYS 78 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2k4v h LYS 78 CO 0.02 0.04 0.00 0.72 -0.57 0.00 0.00 179.45 179.66 2k4v n HIS 79 N -3.22 0.60 0.00 -1.35 8.25 -0.39 -5.03 115.22 114.08 2k4v n HIS 79 Ca -0.01 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2k4v n HIS 79 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 1.54 1.47 5.38 -1.41 0.00 -0.93 -4.91 105.19 106.32 2k4v n GLY 80 Ca 0.21 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -3.79 0.99 7.94 -1.24 -4.40 117.00 116.50 2k4v n LEU 81 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 2k4v n LEU 81 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 2k4v n LEU 81 CO 0.00 0.00 -0.02 -1.38 -1.11 0.00 0.00 177.39 174.88 2k4v s HIS 82 N 0.00 0.01 0.00 1.96 -3.43 -1.26 -4.96 115.29 107.61 2k4v s HIS 82 Ca 0.00 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 53.95 2k4v s HIS 82 Cb 0.00 0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2k4v s HIS 82 CO 0.00 -0.54 0.00 -0.35 -2.00 0.00 0.00 174.74 171.85 2k4v n PRO 83 N 0.19 0.28 -0.09 -0.38 -0.04 -1.26 -4.88 135.00 128.82 2k4v n PRO 83 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2k4v n PRO 83 Cb 0.61 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.32 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 0.74 -0.05 0.54 3.11 -2.00 -2.03 116.57 116.87 2k4v h LYS 84 Ca 0.00 -0.13 0.01 0.00 -2.81 0.00 0.00 60.65 57.72 2k4v h LYS 84 Cb 0.00 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.11 2k4v h LYS 84 CO 0.00 0.65 0.04 0.74 -2.81 0.00 0.00 179.45 178.07 2k4v h PHE 85 N 0.72 0.00 -0.15 1.91 0.04 -2.06 -3.28 116.94 114.12 2k4v h PHE 85 Ca 0.17 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.23 2k4v h PHE 85 Cb 0.23 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 2k4v h PHE 85 CO 0.01 0.00 3.26 0.41 -0.60 0.00 0.00 178.31 181.39 2k4v n GLY 86 N -1.52 4.43 3.50 -1.45 0.00 -0.77 -4.89 105.19 104.48 2k4v n GLY 86 Ca -0.02 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 2.48 3.41 0.11 4.61 0.00 -1.24 -4.79 121.76 126.34 2k4v s ALA 87 Ca 0.54 -2.86 0.12 0.00 0.00 0.00 0.00 51.96 49.77 2k4v s ALA 87 Cb 0.15 -4.26 0.20 0.00 0.00 0.00 0.00 23.12 19.22 2k4v s ALA 87 CO -0.07 -3.10 1.51 0.97 0.00 0.00 0.00 175.76 175.06 2k4v h ILE 88 N 5.66 1.27 0.00 0.00 2.10 -1.90 -3.14 117.51 121.49 2k4v h ILE 88 Ca 0.25 -2.39 0.00 0.00 1.08 0.00 0.00 64.86 63.80 2k4v h ILE 88 Cb 0.96 2.36 0.00 0.00 -1.09 0.00 0.00 36.82 39.05 2k4v h ILE 88 CO 1.26 0.64 0.00 0.35 -1.08 0.00 0.00 178.15 179.32 2k4v n THR 89 N -3.48 0.47 -0.20 2.19 -2.24 -1.26 -2.82 114.28 106.94 2k4v n THR 89 Ca 0.00 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 2k4v n THR 89 Cb 0.71 -0.64 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 2k4v n THR 89 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2k4v h ARG 90 N 0.00 0.86 -6.31 -0.78 1.12 -1.94 -3.43 114.38 103.89 2k4v h ARG 90 Ca 0.00 -0.16 -0.55 0.00 -1.11 0.00 0.00 59.98 58.16 2k4v h ARG 90 Cb 0.61 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.40 2k4v h ARG 90 CO 0.00 0.74 -0.22 0.08 -3.11 0.00 0.00 179.97 177.47 2k4v s VAL 91 N -5.54 5.06 -1.07 0.20 1.01 -1.13 -5.04 120.40 113.89 2k4v s VAL 91 Ca -0.13 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2k4v s VAL 91 Cb 0.13 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.96 2k4v s VAL 91 CO 0.79 -0.06 1.40 -1.00 0.00 0.00 0.00 175.10 176.23 2k4v s HIS 92 N -1.78 2.91 -1.39 5.22 3.76 -1.26 -4.91 115.29 117.84 2k4v s HIS 92 Ca 0.44 -1.36 -0.15 0.00 -0.15 0.00 0.00 55.06 53.84 2k4v s HIS 92 Cb -0.12 -4.52 0.03 0.00 1.11 0.00 0.00 32.58 29.08 2k4v s HIS 92 CO 0.24 -1.69 2.13 1.17 -0.85 0.00 0.00 174.74 175.74 2k4v n LYS 93 N 7.56 2.80 -2.08 1.40 3.00 -1.26 -4.54 118.16 125.05 2k4v n LYS 93 Ca 0.34 -2.66 -0.18 0.00 -0.00 0.00 0.00 58.31 55.82 2k4v n LYS 93 Cb 0.48 -3.30 -0.03 0.00 0.00 0.00 0.00 35.03 32.17 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k4v n GLU 94 N 6.54 -1.71 -0.23 1.64 1.02 -1.26 -4.85 120.64 121.80 2k4v n GLU 94 Ca 0.51 0.92 -0.07 0.00 -0.02 0.00 0.00 57.16 58.50 2k4v n GLU 94 Cb 0.40 -5.44 0.04 0.00 -0.02 0.00 0.00 31.44 26.42 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 0.00 0.98 -0.50 -0.32 3.20 -1.95 -2.87 116.97 115.52 2k4v h TYR 95 Ca -0.40 -0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.49 2k4v h TYR 95 Cb 1.25 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 2k4v h TYR 95 CO 0.57 0.77 0.34 -0.44 -1.64 0.00 0.00 178.16 177.76 2k4v h ASP 96 N 0.91 0.27 -0.09 -2.11 5.19 -1.92 0.77 116.42 119.45 2k4v h ASP 96 Ca 0.22 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 2k4v h ASP 96 Cb 0.21 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 2k4v h ASP 96 CO -0.02 0.17 -0.07 0.00 -3.12 0.00 0.00 179.24 176.20 2k4v h ALA 97 N 1.74 0.12 -0.61 3.45 0.00 -1.91 -2.68 119.26 119.38 2k4v h ALA 97 Ca 0.23 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2k4v h ALA 97 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k4v h ALA 97 CO -0.05 -0.07 0.07 1.98 0.00 0.00 0.00 179.25 181.17 2k4v h MET 98 N -0.20 1.03 -0.11 0.00 -1.53 -1.35 -2.87 114.93 109.89 2k4v h MET 98 Ca 0.02 -0.29 0.04 0.00 -3.44 0.00 0.00 59.70 56.02 2k4v h MET 98 Cb 0.56 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.45 2k4v h MET 98 CO 0.02 0.98 -0.14 0.35 0.14 0.00 0.00 176.91 178.25 2k4v h PHE 99 N 0.93 -0.37 -0.01 1.39 3.04 -0.89 -1.01 116.94 120.02 2k4v h PHE 99 Ca 0.18 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.05 2k4v h PHE 99 Cb 0.47 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 2k4v h PHE 99 CO 0.03 -0.21 -0.48 1.05 -2.02 0.00 0.00 178.31 176.68 2k4v h GLU 100 N -0.19 0.04 -0.11 1.11 4.11 -1.52 -2.07 114.58 115.96 2k4v h GLU 100 Ca 0.09 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.41 2k4v h GLU 100 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k4v h GLU 100 CO -0.22 0.51 -0.28 0.22 0.07 0.00 0.00 179.01 179.31 2k4v h ASP 101 N 0.03 0.43 -0.44 3.06 3.58 -1.24 -1.92 116.42 119.91 2k4v h ASP 101 Ca -0.00 -0.59 -0.00 0.00 0.42 0.00 0.00 57.03 56.86 2k4v h ASP 101 Cb 0.86 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2k4v h ASP 101 CO 0.06 0.94 0.27 0.40 -2.88 0.00 0.00 179.24 178.03 2k4v h ILE 102 N -0.06 1.14 0.00 2.25 2.04 -1.17 -1.07 117.51 120.64 2k4v h ILE 102 Ca -0.00 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2k4v h ILE 102 Cb 0.89 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2k4v h ILE 102 CO 0.06 0.14 -0.22 0.08 0.00 0.00 0.00 178.15 178.21 2k4v h ARG 103 N 0.59 0.00 -0.06 2.37 -0.00 -1.40 -0.42 114.38 115.45 2k4v h ARG 103 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 60.04 2k4v h ARG 103 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2k4v h ARG 103 CO -0.03 0.22 -0.34 0.00 -0.00 0.00 0.00 179.97 179.82 2k4v h ALA 104 N 1.78 0.13 0.00 0.08 0.00 -1.01 -1.68 119.26 118.55 2k4v h ALA 104 Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2k4v h ALA 104 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2k4v h ALA 104 CO 0.03 0.20 -0.49 -0.22 0.00 0.00 0.00 179.25 178.77 2k4v h LYS 105 N -0.16 0.00 -0.05 0.00 1.63 -0.99 -0.92 116.57 116.08 2k4v h LYS 105 Ca -0.02 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.66 2k4v h LYS 105 Cb 1.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2k4v h LYS 105 CO 0.07 0.49 -0.50 -0.07 -3.45 0.00 0.00 179.45 175.99 2k4v h LEU 106 N 0.00 0.14 -0.87 5.20 4.07 -1.13 -1.79 115.31 120.93 2k4v h LEU 106 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2k4v h LEU 106 Cb 0.87 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2k4v h LEU 106 CO 0.06 0.62 0.00 -0.74 -1.08 0.00 0.00 178.44 177.30 2k4v h HIS 107 N 0.10 0.00 0.00 1.13 2.76 -0.79 -3.48 115.15 114.88 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 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2k4v h HIS 107 CO 0.01 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.64 2k4v n ALA 108 N -1.97 0.00 -2.87 5.26 0.00 -0.40 -4.98 120.51 115.55 2k4v n ALA 108 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2k4v n ALA 108 Cb 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.33 0.19 0.05 0.00 3.76 -1.04 -4.93 115.29 109.98 2k4v s HIS 109 Ca 0.00 -0.16 -0.36 0.00 -0.15 0.00 0.00 55.06 54.39 2k4v s HIS 109 Cb 0.00 -0.12 -0.16 0.00 1.11 0.00 0.00 32.58 33.41 2k4v s HIS 109 CO 0.00 -0.05 1.47 -2.30 -0.85 0.00 0.00 174.74 173.01 2k4v n PRO 110 N 2.64 1.43 -3.32 8.40 -0.02 -1.26 -4.53 135.00 138.34 2k4v n PRO 110 Ca -0.15 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.62 2k4v n PRO 110 Cb 0.58 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 2k4v n PRO 110 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k4v s GLY 111 N 1.13 0.58 0.90 -1.23 0.00 -1.26 -5.07 107.32 102.37 2k4v s GLY 111 Ca 0.85 -1.80 -0.13 0.00 0.00 0.00 0.00 44.72 43.64 2k4v s GLY 111 CO 0.47 2.43 1.19 -1.83 0.00 0.00 0.00 173.10 175.37 2k4v s GLU 112 N 0.62 1.24 0.00 2.90 -1.05 -1.26 -4.56 118.70 116.58 2k4v s GLU 112 Ca 0.27 0.06 -0.04 0.00 -0.15 0.00 0.00 54.97 55.10 2k4v s GLU 112 Cb -0.06 -1.87 -0.20 0.00 -0.44 0.00 0.00 34.13 31.56 2k4v s GLU 112 CO -0.11 -2.09 2.97 -0.35 0.95 0.00 0.00 175.26 176.64 2k4v n PRO 113 N -3.64 1.59 -2.27 -4.83 -0.04 -1.26 -4.92 135.00 119.62 2k4v n PRO 113 Ca 0.09 -0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 62.39 2k4v n PRO 113 Cb 0.60 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 2k4v n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4v s VAL 114 N 1.18 3.61 -0.40 0.52 0.11 -1.26 -4.94 120.40 119.22 2k4v s VAL 114 Ca 0.50 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.76 2k4v s VAL 114 Cb 0.24 -3.74 0.62 0.00 -1.53 0.00 0.00 36.38 31.97 2k4v s VAL 114 CO 0.00 0.09 1.77 -0.90 -3.33 0.00 0.00 175.10 172.73 2k4v n ASP 115 N 3.94 3.39 0.01 3.54 5.75 -1.26 -4.71 116.55 127.20 2k4v n ASP 115 Ca 0.10 -3.65 0.18 0.00 -0.01 0.00 0.00 54.79 51.41 2k4v n ASP 115 Cb 0.44 -0.77 0.66 0.00 -1.03 0.00 0.00 41.12 40.41 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2k4v h LEU 116 N 1.07 0.06 0.07 -2.12 8.10 -2.00 0.63 115.31 121.12 2k4v h LEU 116 Ca 0.49 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 58.24 2k4v h LEU 116 Cb 2.48 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 42.68 2k4v h LEU 116 CO 0.87 0.03 -1.17 -0.08 -4.11 0.00 0.00 178.44 173.98 2k4v h GLU 117 N 0.06 0.16 0.00 0.17 4.81 -1.89 -3.37 114.58 114.53 2k4v h GLU 117 Ca 0.24 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k4v h GLU 117 Cb 0.87 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2k4v h GLU 117 CO -0.02 1.11 0.00 -0.09 -0.73 0.00 0.00 179.01 179.29 2k4v h ARG 118 N 0.04 0.00 0.18 1.92 1.12 -1.23 -2.02 114.38 114.40 2k4v h ARG 118 Ca -0.09 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.77 2k4v h ARG 118 Cb 1.90 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.86 2k4v h ARG 118 CO 0.17 0.00 -0.09 0.82 -3.11 0.00 0.00 179.97 177.76 2k4v h ILE 119 N 0.00 0.93 -2.99 1.20 5.03 -1.72 -3.41 117.51 116.55 2k4v h ILE 119 Ca 0.00 -0.72 -0.58 0.00 -0.12 0.00 0.00 64.86 63.45 2k4v h ILE 119 Cb 0.28 1.34 -0.40 0.00 -3.03 0.00 0.00 36.82 35.01 2k4v h ILE 119 CO 0.00 0.16 -0.77 -0.63 -0.68 0.00 0.00 178.15 176.23 2k4v s ILE 120 N -4.64 0.71 -0.24 -0.67 -1.09 -0.78 -4.92 121.20 109.57 2k4v s ILE 120 Ca -0.14 -1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 56.69 2k4v s ILE 120 Cb 0.02 -1.53 -0.12 0.00 -1.58 0.00 0.00 42.46 39.25 2k4v s ILE 120 CO 0.59 -0.76 -0.27 0.54 -1.23 0.00 0.00 174.94 173.81 2k4v n ARG 121 N 4.59 0.54 -3.57 2.79 1.74 -1.12 -4.85 116.66 116.79 2k4v n ARG 121 Ca 0.01 0.19 -0.16 0.00 -0.77 0.00 0.00 57.85 57.12 2k4v n ARG 121 Cb 0.40 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 2k4v n ARG 121 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2k4v s HIS 122 N -2.45 -0.68 0.26 -1.55 5.04 -1.26 -5.12 115.29 109.52 2k4v s HIS 122 Ca -0.33 1.41 0.00 0.00 -1.54 0.00 0.00 55.06 54.60 2k4v s HIS 122 Cb 0.11 0.36 0.00 0.00 0.04 0.00 0.00 32.58 33.09 2k4v s HIS 122 CO 0.47 -0.48 0.00 0.39 -2.34 0.00 0.00 174.74 172.78 2k4v n GLU 123 N 1.65 -1.88 0.00 2.88 -0.58 -1.26 -4.91 120.64 116.54 2k4v n GLU 123 Ca -0.16 1.44 0.00 0.00 -0.42 0.00 0.00 57.16 58.02 2k4v n GLU 123 Cb 0.56 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 2k4v n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k4v n GLY 124 N -1.80 2.61 0.00 0.62 0.00 -1.26 -4.88 105.19 100.47 2k4v n GLY 124 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18