#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4v s GLY 2 N 0.00 1.05 0.15 1.08 0.00 -1.26 -4.92 107.32 103.42 2k4v s GLY 2 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 2k4v s GLY 2 CO 0.00 2.60 1.67 0.84 0.00 0.00 0.00 173.10 178.21 2k4v h HIS 3 N 9.97 0.82 -3.39 1.90 2.76 -1.91 -3.35 115.15 121.95 2k4v h HIS 3 Ca -0.26 -0.09 -0.63 0.00 -2.20 0.00 0.00 60.37 57.20 2k4v h HIS 3 Cb 1.06 -0.24 -0.40 0.00 1.55 0.00 0.00 27.41 29.39 2k4v h HIS 3 CO 1.05 0.72 -0.72 -1.64 -1.30 0.00 0.00 177.93 176.03 2k4v s MET 4 N -5.38 1.27 -0.14 5.26 -1.94 -1.26 -5.09 119.30 112.02 2k4v s MET 4 Ca -0.13 -1.73 0.02 0.00 -1.71 0.00 0.00 55.69 52.14 2k4v s MET 4 Cb 0.12 -2.72 0.01 0.00 2.01 0.00 0.00 34.83 34.24 2k4v s MET 4 CO 0.79 -1.00 -0.21 0.12 -0.01 0.00 0.00 175.02 174.70 2k4v s PHE 5 N 0.91 2.68 0.03 -0.03 5.36 -1.26 -1.20 117.98 124.47 2k4v s PHE 5 Ca 0.12 -1.25 -0.05 0.00 -0.96 0.00 0.00 56.93 54.79 2k4v s PHE 5 Cb -0.20 -1.81 -0.01 0.00 -0.34 0.00 0.00 43.02 40.65 2k4v s PHE 5 CO -0.11 -0.56 0.07 -1.83 -1.46 0.00 0.00 175.22 171.33 2k4v s GLU 6 N 0.75 0.53 -0.33 10.12 -1.05 -0.55 -5.04 118.70 123.12 2k4v s GLU 6 Ca -0.08 -0.71 -0.28 0.00 -0.15 0.00 0.00 54.97 53.75 2k4v s GLU 6 Cb -0.16 0.21 -0.06 0.00 -0.44 0.00 0.00 34.13 33.68 2k4v s GLU 6 CO -0.00 -0.12 2.30 -0.35 0.95 0.00 0.00 175.26 178.04 2k4v n PRO 7 N 0.95 1.56 0.00 -4.83 -0.04 -1.26 -1.69 135.00 129.70 2k4v n PRO 7 Ca -0.20 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2k4v n PRO 7 Cb 0.58 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 2k4v n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4v n GLY 8 N 5.91 1.94 3.36 0.55 0.00 -1.26 -5.08 105.19 110.61 2k4v n GLY 8 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.87 -0.83 0.04 1.61 5.65 -0.68 -2.32 115.29 116.89 2k4v s HIS 9 Ca 0.00 1.62 0.01 0.00 0.25 0.00 0.00 55.06 56.94 2k4v s HIS 9 Cb 0.00 0.40 -0.04 0.00 -1.18 0.00 0.00 32.58 31.76 2k4v s HIS 9 CO 0.00 -0.46 0.12 -1.17 -0.65 0.00 0.00 174.74 172.57 2k4v s LEU 10 N 2.12 4.00 -0.19 8.88 2.96 -0.15 -1.49 118.68 134.82 2k4v s LEU 10 Ca -0.06 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2k4v s LEU 10 Cb -0.10 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 44.10 2k4v s LEU 10 CO -0.14 0.21 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.68 2k4v s HIS 11 N -1.34 2.55 -0.46 5.38 5.65 -0.34 -0.89 115.29 125.84 2k4v s HIS 11 Ca 0.28 -1.61 -0.22 0.00 0.25 0.00 0.00 55.06 53.76 2k4v s HIS 11 Cb -0.12 -1.73 0.03 0.00 -1.18 0.00 0.00 32.58 29.57 2k4v s HIS 11 CO 0.20 -0.76 0.76 -0.51 -0.65 0.00 0.00 174.74 173.78 2k4v s LEU 12 N 1.36 4.33 0.34 8.88 1.43 -0.16 -4.31 118.68 130.55 2k4v s LEU 12 Ca 0.01 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2k4v s LEU 12 Cb -0.15 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 2k4v s LEU 12 CO -0.10 -0.90 0.03 0.68 0.23 0.00 0.00 176.35 176.29 2k4v s VAL 13 N 3.20 1.47 0.10 -1.59 -7.23 -1.26 -0.45 120.40 114.64 2k4v s VAL 13 Ca 0.28 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2k4v s VAL 13 Cb -0.13 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 2k4v s VAL 13 CO 0.21 -0.04 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.35 2k4v s SER 14 N -3.54 1.09 -0.09 4.85 0.15 -1.18 -4.90 113.70 110.07 2k4v s SER 14 Ca 0.35 -1.02 -0.36 0.00 0.70 0.00 0.00 55.95 55.62 2k4v s SER 14 Cb 0.08 0.11 -0.14 0.00 -1.71 0.00 0.00 66.02 64.36 2k4v s SER 14 CO 0.16 -0.48 1.74 0.00 1.20 0.00 0.00 173.24 175.86 2k4v n LEU 15 N -0.04 2.90 -4.78 3.45 -0.00 -1.26 -4.82 117.00 112.44 2k4v n LEU 15 Ca -0.12 1.03 -0.33 0.00 -0.00 0.00 0.00 56.01 56.60 2k4v n LEU 15 Cb 0.61 -1.29 0.04 0.00 -0.00 0.00 0.00 43.42 42.78 2k4v n LEU 15 CO 0.30 -0.30 0.73 -2.16 -0.00 0.00 0.00 177.39 175.96 2k4v s PRO 16 N 3.09 2.93 0.00 1.47 0.04 -1.26 -4.82 135.00 136.44 2k4v s PRO 16 Ca 0.92 1.27 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2k4v s PRO 16 Cb -0.83 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2k4v s PRO 16 CO 0.53 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2k4v n GLY 17 N -0.86 0.01 4.86 0.56 0.00 -1.26 -4.98 105.19 103.51 2k4v n GLY 17 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.24 0.99 4.77 -1.26 -4.60 117.00 117.14 2k4v n LEU 18 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2k4v n LEU 18 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.69 2k4v n LEU 18 CO 0.00 0.00 0.94 -0.78 -1.33 0.00 0.00 177.39 176.22 2k4v h ASP 19 N 0.00 0.00 1.58 -1.43 3.58 -1.96 -1.62 116.42 116.57 2k4v h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k4v h ASP 19 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k4v h ASP 19 CO 0.00 0.15 -0.34 1.56 -2.88 0.00 0.00 179.24 177.73 2k4v h GLN 20 N 0.00 0.00 0.00 0.28 7.50 -1.89 -3.49 115.11 117.51 2k4v h GLN 20 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2k4v h GLN 20 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.83 2k4v h GLN 20 CO 0.02 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 178.39 2k4v n GLN 21 N -2.84 0.00 -3.06 1.46 6.02 -0.61 -4.91 117.38 113.45 2k4v n GLN 21 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2k4v n GLN 21 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 2k4v n GLN 21 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2k4v n ASP 22 N 0.00 6.19 -4.63 1.08 2.03 -1.26 -4.79 116.55 115.17 2k4v n ASP 22 Ca 0.00 -3.40 -0.41 0.00 0.52 0.00 0.00 54.79 51.50 2k4v n ASP 22 Cb 0.00 -1.23 -0.06 0.00 -0.72 0.00 0.00 41.12 39.11 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 -2.69 4.92 -0.19 5.18 -5.25 -1.26 -1.28 121.20 120.63 2k4v s ILE 23 Ca 0.32 1.24 -0.04 0.00 -0.99 0.00 0.00 60.65 61.17 2k4v s ILE 23 Cb 0.05 -4.01 0.08 0.00 2.95 0.00 0.00 42.46 41.53 2k4v s ILE 23 CO 0.09 -0.03 0.16 0.20 -1.79 0.00 0.00 174.94 173.56 2k4v s ASN 24 N 1.46 1.89 -0.05 4.36 0.01 -0.27 -3.11 114.94 119.23 2k4v s ASN 24 Ca 0.29 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 2k4v s ASN 24 Cb -0.15 0.06 0.02 0.00 0.41 0.00 0.00 41.25 41.59 2k4v s ASN 24 CO 0.09 -0.34 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.65 2k4v s ILE 25 N 2.23 0.62 -0.43 0.60 1.01 0.40 -1.47 121.20 124.17 2k4v s ILE 25 Ca 0.05 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2k4v s ILE 25 Cb -0.16 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.71 2k4v s ILE 25 CO -0.11 0.24 0.32 -1.00 0.00 0.00 0.00 174.94 174.40 2k4v s HIS 26 N 0.86 3.24 -0.40 3.97 3.76 0.43 -0.99 115.29 126.16 2k4v s HIS 26 Ca -0.12 -0.69 -0.12 0.00 -0.15 0.00 0.00 55.06 53.98 2k4v s HIS 26 Cb -0.15 -2.74 0.04 0.00 1.11 0.00 0.00 32.58 30.84 2k4v s HIS 26 CO 0.01 -0.65 0.26 0.42 -0.85 0.00 0.00 174.74 173.93 2k4v s ILE 27 N 1.67 4.76 -0.31 0.60 1.01 -0.06 -3.13 121.20 125.73 2k4v s ILE 27 Ca 0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2k4v s ILE 27 Cb -0.20 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2k4v s ILE 27 CO 0.09 -0.35 0.08 -0.60 0.00 0.00 0.00 174.94 174.16 2k4v s ARG 28 N 1.57 2.85 -0.24 2.79 3.52 -0.92 -0.98 118.95 127.54 2k4v s ARG 28 Ca 0.03 -1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 54.57 2k4v s ARG 28 Cb -0.21 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 2k4v s ARG 28 CO 0.07 -0.54 -0.01 1.52 -0.81 0.00 0.00 175.30 175.53 2k4v s TYR 29 N 1.44 3.03 -0.19 5.12 1.13 -0.98 -1.36 117.35 125.54 2k4v s TYR 29 Ca 0.00 -0.99 0.01 0.00 -1.41 0.00 0.00 57.07 54.68 2k4v s TYR 29 Cb -0.18 -2.14 0.04 0.00 -1.10 0.00 0.00 41.96 38.57 2k4v s TYR 29 CO 0.02 -0.56 -0.11 -1.21 -2.51 0.00 0.00 175.55 171.18 2k4v s GLU 30 N 1.47 2.05 -0.08 -3.49 2.02 -0.47 -4.66 118.70 115.54 2k4v s GLU 30 Ca 0.04 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 2k4v s GLU 30 Cb -0.15 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 2k4v s GLU 30 CO -0.02 -0.41 1.50 0.54 0.02 0.00 0.00 175.26 176.89 2k4v s VAL 31 N 1.40 3.81 0.05 2.63 0.11 -1.26 -1.25 120.40 125.89 2k4v s VAL 31 Ca -0.01 1.01 0.00 0.00 -2.93 0.00 0.00 61.98 60.06 2k4v s VAL 31 Cb -0.16 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 31.01 2k4v s VAL 31 CO -0.08 -0.08 -0.05 -0.60 -3.33 0.00 0.00 175.10 170.96 2k4v s ARG 32 N 3.65 0.54 -0.26 1.54 3.00 -0.53 -5.00 118.95 121.89 2k4v s ARG 32 Ca 0.66 -0.95 -0.09 0.00 -1.00 0.00 0.00 55.73 54.35 2k4v s ARG 32 Cb -0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 34.95 34.62 2k4v s ARG 32 CO 0.24 -0.04 0.11 -0.65 0.00 0.00 0.00 175.30 174.97 2k4v s GLN 33 N -2.65 3.78 0.14 5.12 -1.52 -1.26 -1.34 119.66 121.94 2k4v s GLN 33 Ca -0.03 -0.41 0.04 0.00 -1.95 0.00 0.00 55.36 53.01 2k4v s GLN 33 Cb -0.02 -3.44 -0.04 0.00 -0.22 0.00 0.00 33.01 29.29 2k4v s GLN 33 CO -0.04 -0.16 0.18 0.54 -0.25 0.00 0.00 175.29 175.56 2k4v s ASN 34 N 1.59 5.82 0.46 5.90 6.03 0.66 -4.99 114.94 130.41 2k4v s ASN 34 Ca 0.06 -0.00 0.26 0.00 -1.03 0.00 0.00 52.86 52.15 2k4v s ASN 34 Cb -0.15 -1.62 0.98 0.00 -3.03 0.00 0.00 41.25 37.43 2k4v s ASN 34 CO 0.06 0.08 1.85 0.00 -2.03 0.00 0.00 177.10 177.06 2k4v h ALA 35 N 2.48 1.01 0.30 3.54 0.00 -1.99 -1.17 119.26 123.43 2k4v h ALA 35 Ca -0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2k4v h ALA 35 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k4v h ALA 35 CO 0.66 0.22 -0.14 1.49 0.00 0.00 0.00 179.25 181.48 2k4v h GLU 36 N 0.00 -0.39 0.00 0.00 4.57 -1.99 -3.38 114.58 113.39 2k4v h GLU 36 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2k4v h GLU 36 Cb 0.72 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2k4v h GLU 36 CO 0.02 -0.06 0.00 0.45 -1.18 0.00 0.00 179.01 178.24 2k4v n SER 37 N -5.12 1.52 0.00 1.04 2.88 -1.25 -5.07 113.62 107.62 2k4v n SER 37 Ca -0.09 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 2k4v n SER 37 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.28 1.79 3.81 0.46 0.00 -0.44 -4.77 105.19 105.76 2k4v n GLY 38 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.00 3.32 0.30 4.61 0.00 -1.26 -0.24 121.76 127.49 2k4v s ALA 39 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.13 2k4v s ALA 39 Cb 0.00 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.19 2k4v s ALA 39 CO 0.00 0.27 0.52 1.52 0.00 0.00 0.00 175.76 178.07 2k4v s TYR 40 N -1.63 0.59 -0.06 0.00 1.13 -0.45 -2.94 117.35 113.99 2k4v s TYR 40 Ca 0.47 -0.95 0.04 0.00 -1.41 0.00 0.00 57.07 55.22 2k4v s TYR 40 Cb -0.16 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 2k4v s TYR 40 CO 0.21 -1.12 -0.17 0.08 -2.51 0.00 0.00 175.55 172.04 2k4v s VAL 41 N -3.43 1.46 -0.13 -3.49 1.01 -0.69 -1.46 120.40 113.67 2k4v s VAL 41 Ca 0.25 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2k4v s VAL 41 Cb -0.01 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2k4v s VAL 41 CO 0.13 0.42 0.26 -2.28 0.00 0.00 0.00 175.10 173.64 2k4v s HIS 42 N 0.30 3.54 -0.13 5.22 5.04 -0.38 -2.10 115.29 126.77 2k4v s HIS 42 Ca -0.10 0.62 0.03 0.00 -1.54 0.00 0.00 55.06 54.07 2k4v s HIS 42 Cb -0.14 -2.22 0.01 0.00 0.04 0.00 0.00 32.58 30.27 2k4v s HIS 42 CO 0.04 0.43 -0.21 -0.06 -2.34 0.00 0.00 174.74 172.60 2k4v s PHE 43 N -0.17 2.57 0.07 3.88 0.08 -0.28 -1.37 117.98 122.76 2k4v s PHE 43 Ca 0.16 -1.26 0.04 0.00 0.12 0.00 0.00 56.93 56.00 2k4v s PHE 43 Cb -0.13 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 2k4v s PHE 43 CO 0.05 -0.57 0.01 -0.51 -0.10 0.00 0.00 175.22 174.10 2k4v s ASP 44 N 0.77 5.11 -0.03 1.36 1.01 -0.46 -1.35 116.67 123.08 2k4v s ASP 44 Ca -0.09 -0.12 -0.01 0.00 0.71 0.00 0.00 52.55 53.05 2k4v s ASP 44 Cb -0.16 -1.27 0.03 0.00 1.01 0.00 0.00 42.92 42.53 2k4v s ASP 44 CO -0.00 0.20 0.07 -0.04 0.21 0.00 0.00 175.17 175.60 2k4v s MET 45 N -2.14 0.02 -0.02 8.23 -1.94 -0.00 -2.18 119.30 121.27 2k4v s MET 45 Ca 0.25 0.21 -0.29 0.00 -1.71 0.00 0.00 55.69 54.15 2k4v s MET 45 Cb -0.12 -0.16 0.10 0.00 2.01 0.00 0.00 34.83 36.67 2k4v s MET 45 CO 0.17 -0.13 0.90 0.16 -0.01 0.00 0.00 175.02 176.11 2k4v s ASP 46 N 0.84 -0.36 0.00 3.03 -4.77 -1.18 -0.85 116.67 113.38 2k4v s ASP 46 Ca -0.07 0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.20 2k4v s ASP 46 Cb -0.09 0.37 0.00 0.00 -1.09 0.00 0.00 42.92 42.11 2k4v s ASP 46 CO -0.03 -0.59 0.00 0.61 0.70 0.00 0.00 175.17 175.85 2k4v n GLY 47 N -0.19 0.26 3.28 2.12 0.00 -0.99 -0.43 105.19 109.24 2k4v n GLY 47 Ca -0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2k4v n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 48 N 0.00 1.32 -0.28 1.61 -1.05 -0.54 -2.21 118.70 117.55 2k4v s GLU 48 Ca 0.00 -1.61 0.01 0.00 -0.15 0.00 0.00 54.97 53.23 2k4v s GLU 48 Cb 0.00 0.31 0.17 0.00 -0.44 0.00 0.00 34.13 34.17 2k4v s GLU 48 CO 0.00 -0.46 0.47 0.42 0.95 0.00 0.00 175.26 176.64 2k4v s ILE 49 N -4.05 -0.77 -1.30 1.83 1.01 0.40 -1.11 121.20 117.22 2k4v s ILE 49 Ca 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 2k4v s ILE 49 Cb 0.05 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.58 2k4v s ILE 49 CO 0.13 -0.14 1.00 -0.67 0.00 0.00 0.00 174.94 175.26 2k4v n ASP 50 N 5.38 -3.44 0.00 3.58 2.03 -0.40 -1.91 116.55 121.80 2k4v n ASP 50 Ca 0.00 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.67 2k4v n ASP 50 Cb 0.51 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 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 -1.52 2.26 3.61 0.27 0.00 -1.25 -4.83 105.19 103.73 2k4v n GLY 51 Ca -0.17 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 2k4v n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4v s LYS 52 N 0.00 3.80 0.55 1.61 1.02 -0.80 -4.94 119.74 120.98 2k4v s LYS 52 Ca 0.00 0.79 -0.21 0.00 0.02 0.00 0.00 55.97 56.56 2k4v s LYS 52 Cb 0.00 -3.88 -0.05 0.00 -0.52 0.00 0.00 37.83 33.38 2k4v s LYS 52 CO 0.00 -1.27 1.34 -2.14 -0.92 0.00 0.00 175.35 172.35 2k4v s PRO 53 N 4.31 3.12 0.16 -1.68 0.02 -1.26 -0.45 135.00 139.22 2k4v s PRO 53 Ca 0.50 2.18 -0.13 0.00 0.02 0.00 0.00 61.00 63.57 2k4v s PRO 53 Cb -0.10 -2.22 0.01 0.00 0.02 0.00 0.00 34.50 32.22 2k4v s PRO 53 CO 0.27 -1.19 0.38 -0.59 -0.33 0.00 0.00 177.00 175.54 2k4v s PHE 54 N -1.33 0.11 -0.23 6.54 -0.71 -0.94 -4.90 117.98 116.52 2k4v s PHE 54 Ca 0.72 -0.47 -0.06 0.00 -1.04 0.00 0.00 56.93 56.08 2k4v s PHE 54 Cb -0.39 0.15 0.11 0.00 -1.21 0.00 0.00 43.02 41.68 2k4v s PHE 54 CO 0.46 -0.77 0.45 -1.54 -1.34 0.00 0.00 175.22 172.48 2k4v s SER 55 N -2.90 -0.36 0.15 1.98 1.04 -1.26 -2.35 113.70 110.00 2k4v s SER 55 Ca 0.11 0.92 0.05 0.00 0.48 0.00 0.00 55.95 57.52 2k4v s SER 55 Cb 0.02 1.49 -0.04 0.00 0.10 0.00 0.00 66.02 67.58 2k4v s SER 55 CO -0.04 -0.24 -0.11 -1.81 0.98 0.00 0.00 173.24 172.02 2k4v s ASP 56 N 2.66 1.97 -0.24 7.02 1.11 -0.03 -5.02 116.67 124.14 2k4v s ASP 56 Ca 0.02 -0.99 -0.16 0.00 0.18 0.00 0.00 52.55 51.60 2k4v s ASP 56 Cb -0.13 -0.04 0.07 0.00 1.07 0.00 0.00 42.92 43.89 2k4v s ASP 56 CO -0.15 -0.27 0.60 -0.94 1.18 0.00 0.00 175.17 175.59 2k4v s SER 57 N -3.10 -0.75 0.03 0.27 1.04 -1.26 -0.82 113.70 109.11 2k4v s SER 57 Ca 0.17 1.29 0.03 0.00 0.48 0.00 0.00 55.95 57.92 2k4v s SER 57 Cb 0.01 1.21 -0.02 0.00 0.10 0.00 0.00 66.02 67.32 2k4v s SER 57 CO 0.02 -0.22 -0.10 0.72 0.98 0.00 0.00 173.24 174.64 2k4v s PHE 58 N 1.13 0.88 0.01 5.02 -0.71 -0.46 -5.01 117.98 118.85 2k4v s PHE 58 Ca -0.06 -0.35 0.05 0.00 -1.04 0.00 0.00 56.93 55.53 2k4v s PHE 58 Cb -0.05 -0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 41.20 2k4v s PHE 58 CO -0.11 -0.01 -0.14 -1.21 -1.34 0.00 0.00 175.22 172.41 2k4v s GLU 59 N -1.07 2.33 -0.01 1.99 8.01 -1.26 -1.12 118.70 127.56 2k4v s GLU 59 Ca -0.02 -0.83 0.01 0.00 0.01 0.00 0.00 54.97 54.14 2k4v s GLU 59 Cb -0.07 -2.33 -0.00 0.00 -4.31 0.00 0.00 34.13 27.42 2k4v s GLU 59 CO 0.01 0.58 -0.04 -0.51 0.01 0.00 0.00 175.26 175.31 2k4v s LEU 60 N -1.25 1.93 0.59 1.80 1.43 -0.89 -5.01 118.68 117.27 2k4v s LEU 60 Ca 0.15 -0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 2k4v s LEU 60 Cb -0.11 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2k4v s LEU 60 CO 0.05 0.04 1.25 -2.16 0.23 0.00 0.00 176.35 175.75 2k4v s PRO 61 N 0.01 2.94 0.37 1.29 0.04 -1.26 -1.71 135.00 136.68 2k4v s PRO 61 Ca 0.00 1.94 0.20 0.00 0.04 0.00 0.00 61.00 63.19 2k4v s PRO 61 Cb -0.03 -1.98 1.27 0.00 0.04 0.00 0.00 34.50 33.79 2k4v s PRO 61 CO -0.00 -1.26 1.62 0.07 0.04 0.00 0.00 177.00 177.46 2k4v h ARG 62 N 0.95 0.13 0.00 4.56 0.11 -1.84 0.21 114.38 118.50 2k4v h ARG 62 Ca -0.51 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2k4v h ARG 62 Cb 1.31 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2k4v h ARG 62 CO 0.55 0.09 0.00 0.22 0.10 0.00 0.00 179.97 180.93 2k4v h ASP 63 N 0.14 0.00 0.00 0.08 3.58 -1.91 -3.17 116.42 115.13 2k4v h ASP 63 Ca 0.80 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.25 2k4v h ASP 63 Cb 2.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.14 2k4v h ASP 63 CO -0.65 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 176.06 2k4v n THR 64 N -3.06 0.46 0.18 2.25 -2.24 -0.32 -4.74 114.28 106.81 2k4v n THR 64 Ca 0.02 -0.47 0.04 0.00 -2.27 0.00 0.00 64.05 61.37 2k4v n THR 64 Cb 0.37 0.79 0.45 0.00 -2.10 0.00 0.00 70.33 69.83 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 1.60 0.00 6.98 0.00 -0.63 -2.36 119.26 124.84 2k4v h ALA 65 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k4v h ALA 65 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k4v h ALA 65 CO 0.00 0.30 0.00 1.19 0.00 0.00 0.00 179.25 180.74 2k4v n PHE 66 N -4.28 0.23 1.95 0.00 3.72 -1.26 -2.07 117.46 115.75 2k4v n PHE 66 Ca -0.02 0.09 0.10 0.00 -0.05 0.00 0.00 57.45 57.57 2k4v n PHE 66 Cb 0.27 -0.65 0.57 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.71 0.10 0.28 4.37 3.02 -0.89 -4.05 115.26 116.39 2k4v n ASN 67 Ca 0.03 -1.41 0.17 0.00 -0.03 0.00 0.00 54.58 53.34 2k4v n ASN 67 Cb 0.17 -0.01 0.76 0.00 -0.61 0.00 0.00 39.78 40.09 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 0.14 0.00 0.04 3.10 -0.00 -1.62 -2.60 116.94 116.00 2k4v h PHE 68 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.88 2k4v h PHE 68 Cb 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 35.99 2k4v h PHE 68 CO 0.01 0.05 -0.36 0.00 -0.00 0.00 0.00 178.31 178.00 2k4v h ALA 69 N 1.95 -0.00 -0.21 12.09 0.00 -1.85 0.94 119.26 132.18 2k4v h ALA 69 Ca -0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2k4v h ALA 69 Cb 0.43 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k4v h ALA 69 CO 0.01 0.16 -0.42 0.77 0.00 0.00 0.00 179.25 179.76 2k4v h SER 70 N -0.56 0.53 0.20 0.00 0.02 -1.87 -2.79 113.55 109.08 2k4v h SER 70 Ca -0.06 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2k4v h SER 70 Cb 1.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2k4v h SER 70 CO 0.07 0.89 -0.10 -0.78 -1.14 0.00 0.00 176.83 175.77 2k4v h ASP 71 N 0.41 -0.23 -0.72 3.07 3.58 -1.46 -1.00 116.42 120.08 2k4v h ASP 71 Ca 0.03 -0.30 0.13 0.00 0.42 0.00 0.00 57.03 57.31 2k4v h ASP 71 Cb 0.91 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.93 2k4v h ASP 71 CO 0.08 0.28 0.28 0.00 -2.88 0.00 0.00 179.24 177.00 2k4v h ALA 72 N -0.29 0.98 -0.06 -0.78 0.00 -0.90 -0.17 119.26 118.04 2k4v h ALA 72 Ca -0.03 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k4v h ALA 72 Cb 0.52 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k4v h ALA 72 CO 0.05 -0.20 0.03 1.15 0.00 0.00 0.00 179.25 180.27 2k4v h THR 73 N 0.44 1.13 -0.28 0.00 2.02 -1.56 -2.00 112.91 112.66 2k4v h THR 73 Ca 0.38 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 67.24 2k4v h THR 73 Cb 0.55 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 68.16 2k4v h THR 73 CO -0.38 0.11 -0.23 -0.09 0.37 0.00 0.00 175.52 175.31 2k4v h ARG 74 N -0.05 -0.20 -0.05 6.66 2.43 -0.35 -0.69 114.38 122.13 2k4v h ARG 74 Ca 0.02 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 2k4v h ARG 74 Cb 0.15 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2k4v h ARG 74 CO -0.00 -0.14 -0.66 -0.24 -1.51 0.00 0.00 179.97 177.42 2k4v h VAL 75 N -0.21 1.42 -0.32 0.20 3.04 -1.10 -3.19 116.25 116.10 2k4v h VAL 75 Ca 0.15 -2.14 -0.14 0.00 -1.01 0.00 0.00 66.70 63.56 2k4v h VAL 75 Cb 0.45 2.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.84 2k4v h VAL 75 CO -0.41 0.63 -0.35 0.00 -1.01 0.00 0.00 177.57 176.43 2k4v h ALA 76 N 1.17 0.47 -0.61 3.17 0.00 -0.91 -3.01 119.26 119.55 2k4v h ALA 76 Ca -0.01 -0.43 0.16 0.00 0.00 0.00 0.00 54.91 54.63 2k4v h ALA 76 Cb 1.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2k4v h ALA 76 CO 0.10 0.53 0.43 1.96 0.00 0.00 0.00 179.25 182.27 2k4v h GLN 77 N 0.56 0.07 0.00 0.00 4.20 -1.12 -1.11 115.11 117.72 2k4v h GLN 77 Ca 0.05 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2k4v h GLN 77 Cb 0.93 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2k4v h GLN 77 CO 0.08 0.05 0.00 1.63 -0.67 0.00 0.00 178.83 179.92 2k4v n LYS 78 N -4.39 0.18 -0.19 1.46 4.01 -1.14 -1.76 118.16 116.34 2k4v n LYS 78 Ca 0.11 0.09 0.09 0.00 -0.51 0.00 0.00 58.31 58.10 2k4v n LYS 78 Cb 0.63 -1.50 0.26 0.00 -0.51 0.00 0.00 35.03 33.91 2k4v n LYS 78 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2k4v n HIS 79 N -1.38 0.50 -0.43 2.13 8.25 -0.42 -4.95 115.22 118.92 2k4v n HIS 79 Ca 0.08 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2k4v n HIS 79 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 1.27 0.73 3.79 -1.41 0.00 -0.72 -4.92 105.19 103.92 2k4v n GLY 80 Ca 0.17 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.73 3.98 -0.45 0.99 1.02 -0.99 -4.73 118.68 117.77 2k4v s LEU 81 Ca 0.00 0.25 -0.04 0.00 0.02 0.00 0.00 54.13 54.35 2k4v s LEU 81 Cb 0.00 -2.12 0.12 0.00 0.02 0.00 0.00 46.19 44.21 2k4v s LEU 81 CO 0.00 0.34 0.27 -1.00 0.02 0.00 0.00 176.35 175.98 2k4v s HIS 82 N -1.07 3.54 -1.41 0.29 3.76 -1.26 -4.97 115.29 114.17 2k4v s HIS 82 Ca 0.18 -2.32 0.00 0.00 -0.15 0.00 0.00 55.06 52.77 2k4v s HIS 82 Cb -0.12 -3.29 0.01 0.00 1.11 0.00 0.00 32.58 30.29 2k4v s HIS 82 CO 0.08 -0.96 0.81 -2.30 -0.85 0.00 0.00 174.74 171.52 2k4v n PRO 83 N 4.54 0.00 -0.28 8.40 -0.02 -1.26 -2.13 135.00 144.26 2k4v n PRO 83 Ca -0.02 0.29 0.01 0.00 -2.02 0.00 0.00 63.50 61.76 2k4v n PRO 83 Cb 0.41 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.06 0.00 -0.52 3.11 -1.99 -2.34 116.57 115.88 2k4v h LYS 84 Ca 0.00 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 2k4v h LYS 84 Cb 0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 30.99 2k4v h LYS 84 CO 0.00 0.70 -1.05 0.35 -2.81 0.00 0.00 179.45 176.64 2k4v h PHE 85 N 1.09 0.00 0.00 1.91 3.57 -1.78 -3.47 116.94 118.26 2k4v h PHE 85 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2k4v h PHE 85 Cb -0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2k4v h PHE 85 CO -0.00 0.11 0.00 0.41 -2.23 0.00 0.00 178.31 176.60 2k4v n GLY 86 N 1.22 -0.35 2.71 2.40 0.00 -0.88 -5.06 105.19 105.23 2k4v n GLY 86 Ca -0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.37 -0.22 -0.25 4.61 0.00 -1.24 -5.01 121.76 116.28 2k4v s ALA 87 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2k4v s ALA 87 Cb 0.00 -1.87 -0.17 0.00 0.00 0.00 0.00 23.12 21.08 2k4v s ALA 87 CO 0.00 -1.95 -0.19 1.51 0.00 0.00 0.00 175.76 175.13 2k4v n ILE 88 N 4.68 1.52 -0.01 0.00 3.06 -1.26 -4.58 119.36 122.78 2k4v n ILE 88 Ca 0.05 -0.54 -0.13 0.00 -2.50 0.00 0.00 62.75 59.63 2k4v n ILE 88 Cb 0.44 -1.53 -0.14 0.00 0.54 0.00 0.00 39.64 38.95 2k4v n ILE 88 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 2k4v h THR 89 N -0.17 0.78 -0.85 9.51 2.02 -1.94 -3.42 112.91 118.84 2k4v h THR 89 Ca -0.58 -2.58 -0.50 0.00 0.77 0.00 0.00 66.41 63.51 2k4v h THR 89 Cb 1.86 2.46 -0.07 0.00 -1.74 0.00 0.00 68.15 70.66 2k4v h THR 89 CO -0.13 0.64 1.42 -0.13 0.37 0.00 0.00 175.52 177.69 2k4v s ARG 90 N -2.59 3.26 -0.91 6.66 1.81 -1.26 -4.92 118.95 121.00 2k4v s ARG 90 Ca -0.11 -1.14 -0.24 0.00 -1.72 0.00 0.00 55.73 52.52 2k4v s ARG 90 Cb 0.07 -5.31 0.02 0.00 -0.45 0.00 0.00 34.95 29.28 2k4v s ARG 90 CO 0.81 -2.78 1.58 0.08 -0.68 0.00 0.00 175.30 174.31 2k4v s VAL 91 N 6.99 3.72 -0.23 3.52 1.01 -1.26 -4.84 120.40 129.30 2k4v s VAL 91 Ca 0.57 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2k4v s VAL 91 Cb -0.01 -4.68 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 2k4v s VAL 91 CO 0.00 -1.59 1.38 -1.38 0.00 0.00 0.00 175.10 173.52 2k4v s HIS 92 N 6.75 2.55 -1.72 5.22 -3.43 -1.26 -4.90 115.29 118.49 2k4v s HIS 92 Ca 0.52 0.79 0.00 0.00 -0.80 0.00 0.00 55.06 55.57 2k4v s HIS 92 Cb -0.04 -3.82 0.00 0.00 -1.43 0.00 0.00 32.58 27.29 2k4v s HIS 92 CO -0.01 -2.11 0.75 0.36 -2.00 0.00 0.00 174.74 171.73 2k4v n LYS 93 N 7.20 0.87 0.27 -0.38 2.85 -1.26 -2.86 118.16 124.86 2k4v n LYS 93 Ca 0.16 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.56 2k4v n LYS 93 Cb 0.46 -1.12 0.78 0.00 -0.65 0.00 0.00 35.03 34.50 2k4v n LYS 93 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2k4v h GLU 94 N 0.03 0.00 -0.09 -1.58 5.08 -1.97 -1.86 114.58 114.20 2k4v h GLU 94 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k4v h GLU 94 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k4v h GLU 94 CO 0.00 0.09 0.04 -0.92 -1.00 0.00 0.00 179.01 177.22 2k4v h TYR 95 N 0.00 0.13 -0.68 4.33 3.20 -1.95 -2.33 116.97 119.67 2k4v h TYR 95 Ca -0.00 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.99 2k4v h TYR 95 Cb 0.29 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2k4v h TYR 95 CO 0.00 0.21 0.45 -0.44 -1.64 0.00 0.00 178.16 176.75 2k4v h ASP 96 N 0.00 0.38 0.02 -2.11 5.19 -1.60 0.22 116.42 118.52 2k4v h ASP 96 Ca 0.03 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2k4v h ASP 96 Cb 0.13 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2k4v h ASP 96 CO -0.00 0.21 -0.01 0.00 -3.12 0.00 0.00 179.24 176.32 2k4v h ALA 97 N 1.67 -0.03 -0.18 3.45 0.00 -1.38 -2.76 119.26 120.02 2k4v h ALA 97 Ca 0.32 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2k4v h ALA 97 Cb 0.70 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k4v h ALA 97 CO -0.10 -0.35 -0.61 1.98 0.00 0.00 0.00 179.25 180.18 2k4v h MET 98 N -0.36 0.62 -0.54 0.00 1.85 -0.80 -0.75 114.93 114.95 2k4v h MET 98 Ca -0.00 -0.43 0.11 0.00 -0.61 0.00 0.00 59.70 58.77 2k4v h MET 98 Cb 0.35 0.06 -0.09 0.00 0.43 0.00 0.00 31.60 32.35 2k4v h MET 98 CO 0.01 1.04 0.02 0.35 -0.40 0.00 0.00 176.91 177.93 2k4v h PHE 99 N 0.47 -0.00 0.00 1.39 3.57 -0.69 -0.46 116.94 121.21 2k4v h PHE 99 Ca -0.00 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 2k4v h PHE 99 Cb 1.18 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2k4v h PHE 99 CO 0.06 -0.12 -0.78 0.93 -2.23 0.00 0.00 178.31 176.17 2k4v h GLU 100 N 0.14 0.00 0.04 1.11 5.08 -1.35 -2.30 114.58 117.30 2k4v h GLU 100 Ca 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2k4v h GLU 100 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k4v h GLU 100 CO -0.44 0.78 -0.02 0.22 -1.00 0.00 0.00 179.01 178.54 2k4v h ASP 101 N 0.00 -0.05 -0.08 1.42 3.58 -0.70 -1.77 116.42 118.82 2k4v h ASP 101 Ca -0.01 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2k4v h ASP 101 Cb 1.49 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.55 2k4v h ASP 101 CO 0.10 0.14 0.05 0.40 -2.88 0.00 0.00 179.24 177.04 2k4v h ILE 102 N -0.24 1.06 -0.06 2.25 2.04 -1.15 -1.85 117.51 119.56 2k4v h ILE 102 Ca -0.01 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2k4v h ILE 102 Cb 0.21 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2k4v h ILE 102 CO 0.01 0.05 -0.06 0.08 0.00 0.00 0.00 178.15 178.24 2k4v h ARG 103 N 0.06 0.08 -0.09 2.37 -0.00 -1.41 0.77 114.38 116.17 2k4v h ARG 103 Ca 0.03 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.98 59.88 2k4v h ARG 103 Cb 0.04 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 30.00 2k4v h ARG 103 CO -0.01 0.14 -0.40 0.00 -0.00 0.00 0.00 179.97 179.71 2k4v h ALA 104 N 1.87 0.17 -0.24 0.08 0.00 -1.21 -2.47 119.26 117.46 2k4v h ALA 104 Ca 0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2k4v h ALA 104 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k4v h ALA 104 CO 0.01 0.28 -0.15 -0.22 0.00 0.00 0.00 179.25 179.16 2k4v h LYS 105 N -0.02 0.41 0.00 0.00 1.63 -0.73 0.76 116.57 118.61 2k4v h LYS 105 Ca -0.03 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 2k4v h LYS 105 Cb 1.05 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2k4v h LYS 105 CO 0.08 0.56 -0.11 -0.07 -3.45 0.00 0.00 179.45 176.46 2k4v h LEU 106 N 0.38 0.00 0.00 5.20 4.07 -0.89 -1.64 115.31 122.43 2k4v h LEU 106 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2k4v h LEU 106 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2k4v h LEU 106 CO 0.03 0.11 -0.87 -0.74 -1.08 0.00 0.00 178.44 175.90 2k4v h HIS 107 N 0.00 0.00 0.00 1.13 2.76 -0.89 -3.49 115.15 114.66 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 0.61 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.57 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 -2.09 0.00 -2.13 5.26 0.00 0.19 -4.85 120.51 116.90 2k4v n ALA 108 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 2k4v n ALA 108 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2k4v n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2k4v s HIS 109 N 0.00 3.38 -1.19 0.00 3.76 -1.26 -4.76 115.29 115.21 2k4v s HIS 109 Ca 0.00 1.31 -0.22 0.00 -0.15 0.00 0.00 55.06 56.00 2k4v s HIS 109 Cb 0.00 -3.49 -0.06 0.00 1.11 0.00 0.00 32.58 30.14 2k4v s HIS 109 CO 0.00 -1.48 1.90 -2.30 -0.85 0.00 0.00 174.74 172.00 2k4v n PRO 110 N 2.97 1.94 0.15 8.40 -0.02 -1.26 -4.68 135.00 142.50 2k4v n PRO 110 Ca 0.06 -2.61 0.10 0.00 -2.02 0.00 0.00 63.50 59.04 2k4v n PRO 110 Cb 0.44 -3.64 0.06 0.00 -0.02 0.00 0.00 33.50 30.35 2k4v n PRO 110 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2k4v h GLY 111 N 16.39 0.00 -4.62 -1.23 0.00 -1.93 -3.46 103.07 108.22 2k4v h GLY 111 Ca 0.28 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.10 2k4v h GLY 111 CO 1.32 0.00 -0.82 -0.54 0.00 0.00 0.00 176.54 176.51 2k4v s GLU 112 N -3.25 1.15 -0.48 4.80 2.02 -1.26 -5.10 118.70 116.57 2k4v s GLU 112 Ca 0.02 -0.84 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 2k4v s GLU 112 Cb 0.08 -1.21 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 2k4v s GLU 112 CO 0.74 0.31 1.73 -2.14 0.02 0.00 0.00 175.26 175.92 2k4v s PRO 113 N -1.15 3.07 0.04 0.39 0.02 -1.26 -4.97 135.00 131.13 2k4v s PRO 113 Ca 0.04 0.91 -0.30 0.00 0.02 0.00 0.00 61.00 61.67 2k4v s PRO 113 Cb -0.08 -4.24 -0.07 0.00 0.02 0.00 0.00 34.50 30.12 2k4v s PRO 113 CO 0.01 -2.19 1.51 0.54 -0.33 0.00 0.00 177.00 176.55 2k4v s VAL 114 N 7.49 3.39 -2.00 3.83 0.11 -1.26 -4.91 120.40 127.05 2k4v s VAL 114 Ca 0.69 0.82 0.07 0.00 -2.93 0.00 0.00 61.98 60.62 2k4v s VAL 114 Cb -0.16 -3.52 0.19 0.00 -1.53 0.00 0.00 36.38 31.36 2k4v s VAL 114 CO 0.27 0.00 1.26 -0.67 -3.33 0.00 0.00 175.10 172.63 2k4v n ASP 115 N 5.40 0.05 0.15 3.54 2.03 -1.26 -4.00 116.55 122.46 2k4v n ASP 115 Ca 0.14 -1.80 0.18 0.00 0.52 0.00 0.00 54.79 53.83 2k4v n ASP 115 Cb 0.42 -0.00 0.77 0.00 -0.72 0.00 0.00 41.12 41.59 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2k4v h LEU 116 N 0.05 0.00 -0.56 -2.67 8.10 -1.87 -1.07 115.31 117.29 2k4v h LEU 116 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 2k4v h LEU 116 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.22 2k4v h LEU 116 CO 0.00 0.00 -0.66 -0.08 -4.11 0.00 0.00 178.44 173.59 2k4v h GLU 117 N 0.00 0.27 -0.00 0.17 4.81 -1.96 -3.30 114.58 114.57 2k4v h GLU 117 Ca 0.13 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k4v h GLU 117 Cb 0.67 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2k4v h GLU 117 CO -0.00 0.83 -0.06 -2.13 -0.73 0.00 0.00 179.01 176.92 2k4v n ARG 118 N -3.84 0.28 0.32 1.92 0.63 -0.41 -2.15 116.66 113.41 2k4v n ARG 118 Ca -0.03 -0.04 0.21 0.00 -0.92 0.00 0.00 57.85 57.07 2k4v n ARG 118 Cb 0.66 -1.50 1.05 0.00 0.45 0.00 0.00 32.46 33.12 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 0.10 0.00 -1.67 5.15 5.03 -1.65 -3.48 117.51 120.99 2k4v h ILE 119 Ca 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 2k4v h ILE 119 Cb 0.39 1.14 0.00 0.00 -3.03 0.00 0.00 36.82 35.32 2k4v h ILE 119 CO 0.00 0.00 0.00 -0.38 -0.68 0.00 0.00 178.15 177.09 2k4v n ILE 120 N -3.06 -1.87 -1.53 -0.67 5.41 -0.91 -5.06 119.36 111.66 2k4v n ILE 120 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2k4v n ILE 120 Cb 0.14 -2.61 0.00 0.00 -0.71 0.00 0.00 39.64 36.46 2k4v n ILE 120 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2k4v n ARG 121 N 0.19 0.00 -2.15 0.38 1.85 -1.26 -5.10 116.66 110.57 2k4v n ARG 121 Ca 0.00 -0.72 -0.42 0.00 -1.00 0.00 0.00 57.85 55.71 2k4v n ARG 121 Cb 0.00 -0.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.90 2k4v n ARG 121 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2k4v s HIS 122 N 0.00 3.21 -0.09 2.89 2.46 -1.26 -4.93 115.29 117.58 2k4v s HIS 122 Ca 0.00 1.02 0.00 0.00 0.47 0.00 0.00 55.06 56.56 2k4v s HIS 122 Cb 0.00 -3.69 -0.06 0.00 -0.13 0.00 0.00 32.58 28.71 2k4v s HIS 122 CO 0.00 -2.32 -0.08 -0.85 -2.47 0.00 0.00 174.74 169.02 2k4v n GLU 123 N 3.36 0.22 -3.86 2.88 0.28 -1.26 -5.15 120.64 117.11 2k4v n GLU 123 Ca 0.09 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2k4v n GLU 123 Cb 0.42 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.13 2k4v n GLU 123 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4v n GLY 124 N 3.05 -1.04 0.72 -1.84 0.00 -1.26 -5.37 105.19 99.45 2k4v n GLY 124 Ca -0.16 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 44.83 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76